USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=16 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 120 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 135 CYS SG : rot 80:sc= 0.828 USER MOD Set 2.1: A 102 MET CE :methyl 170:sc= -6.72! (180deg=-6.46!) USER MOD Set 2.2: A 114 HIS : no HD1:sc= -0.463 K(o=-12,f=-11) USER MOD Set 2.3: A 118 GLN : amide:sc= -4.84! C(o=-12!,f=-18!) USER MOD Set 3.1: A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 111 SER OG : rot 31:sc= 0.292 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 76:sc= 0.48 USER MOD Single : A 94 SER OG : rot -89:sc= 0.445 USER MOD Single : A 97 MET CE :methyl 153:sc= -1.39 (180deg=-2.44!) USER MOD Single : A 107 ASN : amide:sc= -0.748 K(o=-0.75,f=-0.0083) 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 112 ASN : amide:sc= -0.412 K(o=-0.41,f=-1.6) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -133:sc= 1.18 (180deg=-0.137) USER MOD Single : A 123 MET CE :methyl 151:sc= -0.624 (180deg=-1.95!) USER MOD Single : A 126 LYS NZ :NH3+ 140:sc= -1.45 (180deg=-3.46!) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl -165:sc= -1.09 (180deg=-2.15) USER MOD Single : A 136 THR OG1 : rot -54:sc= 1.1 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -0.196 K(o=-0.2,f=-1.2) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 9.477 0.029 11.029 1.00 0.00 N ATOM 109 CA TRP A 87 9.212 -0.234 9.619 1.00 0.00 C ATOM 110 C TRP A 87 10.163 0.558 8.729 1.00 0.00 C ATOM 111 O TRP A 87 10.413 1.739 8.967 1.00 0.00 O ATOM 112 CB TRP A 87 7.763 0.116 9.277 1.00 0.00 C ATOM 113 CG TRP A 87 6.773 -0.887 9.786 1.00 0.00 C ATOM 114 CD1 TRP A 87 6.542 -1.222 11.090 1.00 0.00 C ATOM 115 CD2 TRP A 87 5.882 -1.687 9.001 1.00 0.00 C ATOM 116 NE1 TRP A 87 5.562 -2.182 11.163 1.00 0.00 N ATOM 117 CE2 TRP A 87 5.140 -2.483 9.895 1.00 0.00 C ATOM 118 CE3 TRP A 87 5.638 -1.807 7.630 1.00 0.00 C ATOM 119 CZ2 TRP A 87 4.173 -3.386 9.460 1.00 0.00 C ATOM 120 CZ3 TRP A 87 4.678 -2.703 7.200 1.00 0.00 C ATOM 121 CH2 TRP A 87 3.955 -3.482 8.113 1.00 0.00 C ATOM 0 HA TRP A 87 9.374 -1.296 9.437 1.00 0.00 H new ATOM 0 HB2 TRP A 87 7.525 1.094 9.694 1.00 0.00 H new ATOM 0 HB3 TRP A 87 7.662 0.198 8.195 1.00 0.00 H new ATOM 0 HD1 TRP A 87 7.055 -0.795 11.939 1.00 0.00 H new ATOM 0 HE1 TRP A 87 5.206 -2.602 12.022 1.00 0.00 H new ATOM 0 HE3 TRP A 87 6.190 -1.210 6.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 3.615 -3.989 10.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 4.482 -2.805 6.143 1.00 0.00 H new ATOM 0 HH2 TRP A 87 3.210 -4.172 7.746 1.00 0.00 H new ATOM 132 N VAL A 88 10.692 -0.100 7.702 1.00 0.00 N ATOM 133 CA VAL A 88 11.615 0.544 6.775 1.00 0.00 C ATOM 134 C VAL A 88 10.899 0.986 5.504 1.00 0.00 C ATOM 135 O VAL A 88 9.841 0.458 5.161 1.00 0.00 O ATOM 136 CB VAL A 88 12.777 -0.394 6.398 1.00 0.00 C ATOM 137 CG1 VAL A 88 13.468 -0.918 7.647 1.00 0.00 C ATOM 138 CG2 VAL A 88 12.275 -1.542 5.535 1.00 0.00 C ATOM 0 H VAL A 88 10.497 -1.079 7.491 1.00 0.00 H new ATOM 0 HA VAL A 88 12.016 1.420 7.285 1.00 0.00 H new ATOM 0 HB VAL A 88 13.506 0.174 5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.286 -1.579 7.360 1.00 0.00 H new ATOM 0 HG12 VAL A 88 13.863 -0.081 8.223 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.751 -1.470 8.255 1.00 0.00 H new ATOM 0 HG21 VAL A 88 13.109 -2.195 5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.525 -2.110 6.086 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.831 -1.144 4.623 1.00 0.00 H new ATOM 148 N GLN A 89 11.484 1.956 4.809 1.00 0.00 N ATOM 149 CA GLN A 89 10.900 2.469 3.575 1.00 0.00 C ATOM 150 C GLN A 89 10.453 1.326 2.668 1.00 0.00 C ATOM 151 O GLN A 89 9.460 1.444 1.950 1.00 0.00 O ATOM 152 CB GLN A 89 11.908 3.354 2.839 1.00 0.00 C ATOM 153 CG GLN A 89 11.947 4.785 3.351 1.00 0.00 C ATOM 154 CD GLN A 89 12.979 5.633 2.634 1.00 0.00 C ATOM 155 OE1 GLN A 89 14.124 5.742 3.073 1.00 0.00 O ATOM 156 NE2 GLN A 89 12.578 6.240 1.523 1.00 0.00 N ATOM 0 H GLN A 89 12.361 2.402 5.079 1.00 0.00 H new ATOM 0 HA GLN A 89 10.026 3.065 3.837 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.901 2.916 2.934 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.664 3.363 1.777 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.963 5.237 3.230 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.166 4.779 4.419 1.00 0.00 H new ATOM 0 HE21 GLN A 89 11.619 6.122 1.195 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.229 6.824 0.998 1.00 0.00 H new ATOM 165 N ASP A 90 11.191 0.223 2.708 1.00 0.00 N ATOM 166 CA ASP A 90 10.870 -0.942 1.890 1.00 0.00 C ATOM 167 C ASP A 90 9.512 -1.519 2.278 1.00 0.00 C ATOM 168 O ASP A 90 8.573 -1.506 1.483 1.00 0.00 O ATOM 169 CB ASP A 90 11.954 -2.010 2.039 1.00 0.00 C ATOM 170 CG ASP A 90 13.350 -1.420 2.060 1.00 0.00 C ATOM 171 OD1 ASP A 90 13.639 -0.549 1.213 1.00 0.00 O ATOM 172 OD2 ASP A 90 14.154 -1.828 2.925 1.00 0.00 O ATOM 0 H ASP A 90 12.016 0.110 3.298 1.00 0.00 H new ATOM 0 HA ASP A 90 10.826 -0.624 0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.785 -2.569 2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.875 -2.720 1.216 1.00 0.00 H new ATOM 177 N GLU A 91 9.418 -2.026 3.503 1.00 0.00 N ATOM 178 CA GLU A 91 8.175 -2.611 3.994 1.00 0.00 C ATOM 179 C GLU A 91 7.033 -1.601 3.919 1.00 0.00 C ATOM 180 O GLU A 91 5.916 -1.938 3.526 1.00 0.00 O ATOM 181 CB GLU A 91 8.348 -3.096 5.434 1.00 0.00 C ATOM 182 CG GLU A 91 9.536 -4.024 5.625 1.00 0.00 C ATOM 183 CD GLU A 91 10.099 -3.969 7.032 1.00 0.00 C ATOM 184 OE1 GLU A 91 9.514 -3.259 7.877 1.00 0.00 O ATOM 185 OE2 GLU A 91 11.123 -4.636 7.289 1.00 0.00 O ATOM 0 H GLU A 91 10.187 -2.044 4.173 1.00 0.00 H new ATOM 0 HA GLU A 91 7.927 -3.462 3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.464 -2.232 6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.440 -3.613 5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.234 -5.046 5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.318 -3.758 4.914 1.00 0.00 H new ATOM 192 N THR A 92 7.322 -0.361 4.300 1.00 0.00 N ATOM 193 CA THR A 92 6.320 0.698 4.279 1.00 0.00 C ATOM 194 C THR A 92 5.757 0.894 2.876 1.00 0.00 C ATOM 195 O THR A 92 4.545 0.837 2.669 1.00 0.00 O ATOM 196 CB THR A 92 6.904 2.034 4.776 1.00 0.00 C ATOM 197 OG1 THR A 92 7.435 1.875 6.097 1.00 0.00 O ATOM 198 CG2 THR A 92 5.840 3.121 4.780 1.00 0.00 C ATOM 0 H THR A 92 8.242 -0.065 4.627 1.00 0.00 H new ATOM 0 HA THR A 92 5.519 0.388 4.950 1.00 0.00 H new ATOM 0 HB THR A 92 7.703 2.331 4.097 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.290 1.398 6.051 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.276 4.055 5.135 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.458 3.260 3.769 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.023 2.828 5.440 1.00 0.00 H new ATOM 206 N ARG A 93 6.645 1.125 1.914 1.00 0.00 N ATOM 207 CA ARG A 93 6.236 1.330 0.530 1.00 0.00 C ATOM 208 C ARG A 93 5.431 0.138 0.018 1.00 0.00 C ATOM 209 O ARG A 93 4.347 0.302 -0.540 1.00 0.00 O ATOM 210 CB ARG A 93 7.461 1.551 -0.359 1.00 0.00 C ATOM 211 CG ARG A 93 7.121 2.068 -1.748 1.00 0.00 C ATOM 212 CD ARG A 93 6.867 0.927 -2.721 1.00 0.00 C ATOM 213 NE ARG A 93 8.110 0.384 -3.263 1.00 0.00 N ATOM 214 CZ ARG A 93 8.203 -0.813 -3.832 1.00 0.00 C ATOM 215 NH1 ARG A 93 7.132 -1.588 -3.931 1.00 0.00 N ATOM 216 NH2 ARG A 93 9.369 -1.236 -4.302 1.00 0.00 N ATOM 0 H ARG A 93 7.652 1.175 2.068 1.00 0.00 H new ATOM 0 HA ARG A 93 5.603 2.217 0.492 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.131 2.259 0.129 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.005 0.611 -0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.238 2.705 -1.694 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.939 2.687 -2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.315 0.135 -2.215 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.239 1.281 -3.539 1.00 0.00 H new ATOM 0 HE ARG A 93 8.953 0.955 -3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.234 -1.266 -3.570 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.206 -2.507 -4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.195 -0.642 -4.227 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.440 -2.155 -4.739 1.00 0.00 H new ATOM 230 N SER A 94 5.971 -1.061 0.213 1.00 0.00 N ATOM 231 CA SER A 94 5.306 -2.280 -0.232 1.00 0.00 C ATOM 232 C SER A 94 3.916 -2.397 0.386 1.00 0.00 C ATOM 233 O SER A 94 2.911 -2.460 -0.323 1.00 0.00 O ATOM 234 CB SER A 94 6.145 -3.506 0.133 1.00 0.00 C ATOM 235 OG SER A 94 6.863 -3.293 1.336 1.00 0.00 O ATOM 0 H SER A 94 6.867 -1.214 0.676 1.00 0.00 H new ATOM 0 HA SER A 94 5.199 -2.232 -1.316 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.496 -4.375 0.242 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.842 -3.728 -0.676 1.00 0.00 H new ATOM 0 HG SER A 94 7.730 -2.884 1.132 1.00 0.00 H new ATOM 241 N LEU A 95 3.867 -2.427 1.713 1.00 0.00 N ATOM 242 CA LEU A 95 2.601 -2.536 2.430 1.00 0.00 C ATOM 243 C LEU A 95 1.525 -1.681 1.768 1.00 0.00 C ATOM 244 O LEU A 95 0.407 -2.143 1.536 1.00 0.00 O ATOM 245 CB LEU A 95 2.780 -2.113 3.889 1.00 0.00 C ATOM 246 CG LEU A 95 1.502 -2.031 4.725 1.00 0.00 C ATOM 247 CD1 LEU A 95 1.077 -3.417 5.186 1.00 0.00 C ATOM 248 CD2 LEU A 95 1.704 -1.109 5.919 1.00 0.00 C ATOM 0 H LEU A 95 4.689 -2.377 2.315 1.00 0.00 H new ATOM 0 HA LEU A 95 2.282 -3.578 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.460 -2.816 4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.265 -1.137 3.907 1.00 0.00 H new ATOM 0 HG LEU A 95 0.709 -1.618 4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.166 -3.340 5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.891 -4.048 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.869 -3.857 5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.785 -1.063 6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.511 -1.493 6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.962 -0.110 5.568 1.00 0.00 H new ATOM 260 N ILE A 96 1.871 -0.435 1.465 1.00 0.00 N ATOM 261 CA ILE A 96 0.935 0.483 0.827 1.00 0.00 C ATOM 262 C ILE A 96 0.434 -0.077 -0.500 1.00 0.00 C ATOM 263 O ILE A 96 -0.771 -0.142 -0.742 1.00 0.00 O ATOM 264 CB ILE A 96 1.578 1.860 0.579 1.00 0.00 C ATOM 265 CG1 ILE A 96 1.924 2.532 1.910 1.00 0.00 C ATOM 266 CG2 ILE A 96 0.646 2.741 -0.239 1.00 0.00 C ATOM 267 CD1 ILE A 96 2.796 3.759 1.758 1.00 0.00 C ATOM 0 H ILE A 96 2.792 -0.038 1.651 1.00 0.00 H new ATOM 0 HA ILE A 96 0.094 0.601 1.510 1.00 0.00 H new ATOM 0 HB ILE A 96 2.499 1.718 0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.001 2.813 2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.433 1.811 2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.115 3.711 -0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.445 2.265 -1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.291 2.879 0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.001 4.183 2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.735 3.481 1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 96 2.281 4.498 1.144 1.00 0.00 H new ATOM 279 N MET A 97 1.367 -0.482 -1.355 1.00 0.00 N ATOM 280 CA MET A 97 1.020 -1.041 -2.657 1.00 0.00 C ATOM 281 C MET A 97 0.019 -2.182 -2.509 1.00 0.00 C ATOM 282 O MET A 97 -1.133 -2.070 -2.929 1.00 0.00 O ATOM 283 CB MET A 97 2.276 -1.538 -3.375 1.00 0.00 C ATOM 284 CG MET A 97 2.157 -1.521 -4.890 1.00 0.00 C ATOM 285 SD MET A 97 2.607 0.072 -5.604 1.00 0.00 S ATOM 286 CE MET A 97 4.274 0.266 -4.977 1.00 0.00 C ATOM 0 H MET A 97 2.369 -0.434 -1.170 1.00 0.00 H new ATOM 0 HA MET A 97 0.560 -0.252 -3.252 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.123 -0.919 -3.078 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.494 -2.555 -3.047 1.00 0.00 H new ATOM 0 HG2 MET A 97 2.797 -2.297 -5.310 1.00 0.00 H new ATOM 0 HG3 MET A 97 1.133 -1.765 -5.173 1.00 0.00 H new ATOM 0 HE1 MET A 97 4.848 0.894 -5.658 1.00 0.00 H new ATOM 0 HE2 MET A 97 4.241 0.734 -3.993 1.00 0.00 H new ATOM 0 HE3 MET A 97 4.749 -0.712 -4.897 1.00 0.00 H new ATOM 296 N PHE A 98 0.466 -3.281 -1.911 1.00 0.00 N ATOM 297 CA PHE A 98 -0.390 -4.444 -1.709 1.00 0.00 C ATOM 298 C PHE A 98 -1.816 -4.018 -1.372 1.00 0.00 C ATOM 299 O PHE A 98 -2.781 -4.549 -1.923 1.00 0.00 O ATOM 300 CB PHE A 98 0.168 -5.327 -0.590 1.00 0.00 C ATOM 301 CG PHE A 98 1.601 -5.723 -0.798 1.00 0.00 C ATOM 302 CD1 PHE A 98 2.053 -6.109 -2.050 1.00 0.00 C ATOM 303 CD2 PHE A 98 2.498 -5.709 0.259 1.00 0.00 C ATOM 304 CE1 PHE A 98 3.372 -6.475 -2.243 1.00 0.00 C ATOM 305 CE2 PHE A 98 3.818 -6.073 0.071 1.00 0.00 C ATOM 306 CZ PHE A 98 4.255 -6.456 -1.182 1.00 0.00 C ATOM 0 H PHE A 98 1.417 -3.391 -1.558 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.410 -5.015 -2.637 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.080 -4.797 0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.442 -6.227 -0.510 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.367 -6.124 -2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.161 -5.410 1.241 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.711 -6.776 -3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.507 -6.058 0.903 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.286 -6.740 -1.332 1.00 0.00 H new ATOM 316 N ARG A 99 -1.941 -3.056 -0.464 1.00 0.00 N ATOM 317 CA ARG A 99 -3.248 -2.558 -0.052 1.00 0.00 C ATOM 318 C ARG A 99 -4.024 -2.014 -1.248 1.00 0.00 C ATOM 319 O ARG A 99 -5.082 -2.535 -1.603 1.00 0.00 O ATOM 320 CB ARG A 99 -3.091 -1.466 1.007 1.00 0.00 C ATOM 321 CG ARG A 99 -2.648 -1.992 2.363 1.00 0.00 C ATOM 322 CD ARG A 99 -3.836 -2.406 3.216 1.00 0.00 C ATOM 323 NE ARG A 99 -4.808 -1.326 3.362 1.00 0.00 N ATOM 324 CZ ARG A 99 -6.011 -1.488 3.902 1.00 0.00 C ATOM 325 NH1 ARG A 99 -6.388 -2.679 4.345 1.00 0.00 N ATOM 326 NH2 ARG A 99 -6.840 -0.456 4.000 1.00 0.00 N ATOM 0 H ARG A 99 -1.153 -2.606 0.001 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.808 -3.390 0.375 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -2.365 -0.733 0.656 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -4.041 -0.944 1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.984 -2.845 2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -2.076 -1.224 2.883 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -4.321 -3.272 2.766 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -3.485 -2.714 4.201 1.00 0.00 H new ATOM 0 HE ARG A 99 -4.549 -0.396 3.031 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.754 -3.475 4.272 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.312 -2.800 4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.554 0.462 3.661 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.763 -0.581 4.415 1.00 0.00 H new ATOM 340 N ARG A 100 -3.492 -0.964 -1.864 1.00 0.00 N ATOM 341 CA ARG A 100 -4.136 -0.349 -3.019 1.00 0.00 C ATOM 342 C ARG A 100 -4.642 -1.411 -3.990 1.00 0.00 C ATOM 343 O ARG A 100 -5.629 -1.203 -4.694 1.00 0.00 O ATOM 344 CB ARG A 100 -3.160 0.588 -3.734 1.00 0.00 C ATOM 345 CG ARG A 100 -2.599 1.681 -2.840 1.00 0.00 C ATOM 346 CD ARG A 100 -1.857 2.735 -3.648 1.00 0.00 C ATOM 347 NE ARG A 100 -2.763 3.534 -4.469 1.00 0.00 N ATOM 348 CZ ARG A 100 -2.353 4.461 -5.327 1.00 0.00 C ATOM 349 NH1 ARG A 100 -1.058 4.704 -5.476 1.00 0.00 N ATOM 350 NH2 ARG A 100 -3.239 5.146 -6.039 1.00 0.00 N ATOM 0 H ARG A 100 -2.617 -0.521 -1.583 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.989 0.228 -2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -2.335 0.001 -4.137 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -3.667 1.049 -4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -3.411 2.151 -2.285 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -1.924 1.241 -2.106 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.308 3.390 -2.972 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.121 2.249 -4.288 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.766 3.371 -4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.374 4.178 -4.931 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -0.745 5.416 -6.136 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -4.236 4.961 -5.927 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -2.923 5.858 -6.698 1.00 0.00 H new ATOM 364 N GLY A 101 -3.958 -2.551 -4.021 1.00 0.00 N ATOM 365 CA GLY A 101 -4.353 -3.629 -4.909 1.00 0.00 C ATOM 366 C GLY A 101 -5.639 -4.301 -4.469 1.00 0.00 C ATOM 367 O GLY A 101 -6.565 -4.464 -5.263 1.00 0.00 O ATOM 0 H GLY A 101 -3.138 -2.747 -3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.479 -3.237 -5.918 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.555 -4.371 -4.952 1.00 0.00 H new ATOM 371 N MET A 102 -5.695 -4.694 -3.200 1.00 0.00 N ATOM 372 CA MET A 102 -6.877 -5.353 -2.657 1.00 0.00 C ATOM 373 C MET A 102 -7.672 -4.399 -1.771 1.00 0.00 C ATOM 374 O MET A 102 -8.358 -4.826 -0.842 1.00 0.00 O ATOM 375 CB MET A 102 -6.474 -6.593 -1.857 1.00 0.00 C ATOM 376 CG MET A 102 -6.068 -7.772 -2.727 1.00 0.00 C ATOM 377 SD MET A 102 -4.949 -8.906 -1.882 1.00 0.00 S ATOM 378 CE MET A 102 -5.828 -9.165 -0.343 1.00 0.00 C ATOM 0 H MET A 102 -4.937 -4.568 -2.530 1.00 0.00 H new ATOM 0 HA MET A 102 -7.508 -5.657 -3.492 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.645 -6.336 -1.197 1.00 0.00 H new ATOM 0 HB3 MET A 102 -7.307 -6.891 -1.221 1.00 0.00 H new ATOM 0 HG2 MET A 102 -6.961 -8.314 -3.038 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.588 -7.402 -3.633 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.357 -9.976 0.213 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.797 -8.252 0.252 1.00 0.00 H new ATOM 0 HE3 MET A 102 -6.865 -9.425 -0.556 1.00 0.00 H new ATOM 388 N ASP A 103 -7.576 -3.107 -2.065 1.00 0.00 N ATOM 389 CA ASP A 103 -8.287 -2.093 -1.296 1.00 0.00 C ATOM 390 C ASP A 103 -9.773 -2.092 -1.641 1.00 0.00 C ATOM 391 O ASP A 103 -10.626 -2.136 -0.755 1.00 0.00 O ATOM 392 CB ASP A 103 -7.690 -0.710 -1.560 1.00 0.00 C ATOM 393 CG ASP A 103 -6.610 -0.346 -0.560 1.00 0.00 C ATOM 394 OD1 ASP A 103 -6.306 -1.183 0.316 1.00 0.00 O ATOM 395 OD2 ASP A 103 -6.069 0.776 -0.652 1.00 0.00 O ATOM 0 H ASP A 103 -7.012 -2.737 -2.831 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.177 -2.332 -0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.273 -0.683 -2.567 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.482 0.038 -1.523 1.00 0.00 H new ATOM 400 N GLY A 104 -10.076 -2.041 -2.935 1.00 0.00 N ATOM 401 CA GLY A 104 -11.459 -2.035 -3.373 1.00 0.00 C ATOM 402 C GLY A 104 -12.335 -2.951 -2.542 1.00 0.00 C ATOM 403 O GLY A 104 -13.538 -2.720 -2.410 1.00 0.00 O ATOM 0 H GLY A 104 -9.388 -2.004 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.849 -1.019 -3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.507 -2.341 -4.418 1.00 0.00 H new ATOM 407 N LEU A 105 -11.734 -3.993 -1.981 1.00 0.00 N ATOM 408 CA LEU A 105 -12.468 -4.949 -1.159 1.00 0.00 C ATOM 409 C LEU A 105 -12.638 -4.426 0.264 1.00 0.00 C ATOM 410 O LEU A 105 -13.744 -4.411 0.803 1.00 0.00 O ATOM 411 CB LEU A 105 -11.741 -6.295 -1.136 1.00 0.00 C ATOM 412 CG LEU A 105 -11.578 -6.993 -2.486 1.00 0.00 C ATOM 413 CD1 LEU A 105 -10.459 -8.021 -2.424 1.00 0.00 C ATOM 414 CD2 LEU A 105 -12.884 -7.649 -2.910 1.00 0.00 C ATOM 0 H LEU A 105 -10.740 -4.198 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.457 -5.084 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -10.751 -6.143 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -12.280 -6.965 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 105 -11.314 -6.242 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.358 -8.508 -3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.523 -7.525 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.693 -8.768 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.748 -8.141 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -13.179 -8.387 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.661 -6.890 -2.997 1.00 0.00 H new ATOM 426 N PHE A 106 -11.534 -3.995 0.866 1.00 0.00 N ATOM 427 CA PHE A 106 -11.561 -3.469 2.226 1.00 0.00 C ATOM 428 C PHE A 106 -12.729 -2.505 2.413 1.00 0.00 C ATOM 429 O PHE A 106 -13.337 -2.450 3.481 1.00 0.00 O ATOM 430 CB PHE A 106 -10.244 -2.760 2.547 1.00 0.00 C ATOM 431 CG PHE A 106 -9.167 -3.687 3.034 1.00 0.00 C ATOM 432 CD1 PHE A 106 -9.169 -4.147 4.341 1.00 0.00 C ATOM 433 CD2 PHE A 106 -8.153 -4.098 2.184 1.00 0.00 C ATOM 434 CE1 PHE A 106 -8.180 -5.001 4.792 1.00 0.00 C ATOM 435 CE2 PHE A 106 -7.162 -4.952 2.629 1.00 0.00 C ATOM 436 CZ PHE A 106 -7.174 -5.403 3.935 1.00 0.00 C ATOM 0 H PHE A 106 -10.610 -4.000 0.434 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.691 -4.307 2.911 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.892 -2.244 1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.426 -1.998 3.305 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -9.953 -3.835 5.015 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.137 -3.747 1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -8.194 -5.353 5.813 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.378 -5.267 1.956 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.399 -6.068 4.285 1.00 0.00 H new ATOM 446 N ASN A 107 -13.036 -1.746 1.366 1.00 0.00 N ATOM 447 CA ASN A 107 -14.131 -0.783 1.415 1.00 0.00 C ATOM 448 C ASN A 107 -15.409 -1.438 1.928 1.00 0.00 C ATOM 449 O ASN A 107 -15.961 -1.033 2.951 1.00 0.00 O ATOM 450 CB ASN A 107 -14.372 -0.184 0.028 1.00 0.00 C ATOM 451 CG ASN A 107 -15.074 1.158 0.092 1.00 0.00 C ATOM 452 OD1 ASN A 107 -14.504 2.188 -0.269 1.00 0.00 O ATOM 453 ND2 ASN A 107 -16.320 1.153 0.554 1.00 0.00 N ATOM 0 H ASN A 107 -12.543 -1.779 0.474 1.00 0.00 H new ATOM 0 HA ASN A 107 -13.851 0.014 2.104 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -13.417 -0.068 -0.485 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -14.970 -0.876 -0.565 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -16.843 2.026 0.620 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -16.754 0.276 0.842 1.00 0.00 H new ATOM 460 N THR A 108 -15.876 -2.455 1.210 1.00 0.00 N ATOM 461 CA THR A 108 -17.090 -3.167 1.591 1.00 0.00 C ATOM 462 C THR A 108 -16.805 -4.642 1.847 1.00 0.00 C ATOM 463 O THR A 108 -16.502 -5.395 0.922 1.00 0.00 O ATOM 464 CB THR A 108 -18.176 -3.046 0.506 1.00 0.00 C ATOM 465 OG1 THR A 108 -19.362 -3.732 0.922 1.00 0.00 O ATOM 466 CG2 THR A 108 -17.688 -3.622 -0.815 1.00 0.00 C ATOM 0 H THR A 108 -15.432 -2.804 0.361 1.00 0.00 H new ATOM 0 HA THR A 108 -17.452 -2.705 2.510 1.00 0.00 H new ATOM 0 HB THR A 108 -18.399 -1.989 0.363 1.00 0.00 H new ATOM 0 HG1 THR A 108 -20.048 -3.649 0.227 1.00 0.00 H new ATOM 0 HG21 THR A 108 -18.472 -3.525 -1.566 1.00 0.00 H new ATOM 0 HG22 THR A 108 -16.802 -3.079 -1.144 1.00 0.00 H new ATOM 0 HG23 THR A 108 -17.440 -4.675 -0.683 1.00 0.00 H new ATOM 474 N SER A 109 -16.903 -5.049 3.109 1.00 0.00 N ATOM 475 CA SER A 109 -16.653 -6.435 3.487 1.00 0.00 C ATOM 476 C SER A 109 -17.004 -6.670 4.953 1.00 0.00 C ATOM 477 O SER A 109 -16.470 -6.011 5.845 1.00 0.00 O ATOM 478 CB SER A 109 -15.187 -6.797 3.237 1.00 0.00 C ATOM 479 OG SER A 109 -14.928 -8.146 3.586 1.00 0.00 O ATOM 0 H SER A 109 -17.154 -4.438 3.887 1.00 0.00 H new ATOM 0 HA SER A 109 -17.288 -7.074 2.873 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.944 -6.637 2.187 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.542 -6.138 3.818 1.00 0.00 H new ATOM 0 HG SER A 109 -13.985 -8.353 3.416 1.00 0.00 H new ATOM 485 N LYS A 110 -17.906 -7.615 5.194 1.00 0.00 N ATOM 486 CA LYS A 110 -18.330 -7.941 6.550 1.00 0.00 C ATOM 487 C LYS A 110 -17.126 -8.105 7.472 1.00 0.00 C ATOM 488 O LYS A 110 -17.216 -7.861 8.675 1.00 0.00 O ATOM 489 CB LYS A 110 -19.165 -9.223 6.552 1.00 0.00 C ATOM 490 CG LYS A 110 -18.356 -10.476 6.266 1.00 0.00 C ATOM 491 CD LYS A 110 -17.984 -10.576 4.796 1.00 0.00 C ATOM 492 CE LYS A 110 -17.630 -12.003 4.407 1.00 0.00 C ATOM 493 NZ LYS A 110 -16.196 -12.310 4.667 1.00 0.00 N ATOM 0 H LYS A 110 -18.358 -8.169 4.467 1.00 0.00 H new ATOM 0 HA LYS A 110 -18.940 -7.117 6.920 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -19.652 -9.328 7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -19.955 -9.133 5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -17.450 -10.471 6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -18.930 -11.355 6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -18.816 -10.227 4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -17.138 -9.921 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -18.257 -12.698 4.966 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -17.848 -12.156 3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -15.995 -13.292 4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -15.597 -11.664 4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -15.993 -12.189 5.680 1.00 0.00 H new ATOM 507 N SER A 111 -16.000 -8.517 6.899 1.00 0.00 N ATOM 508 CA SER A 111 -14.778 -8.716 7.671 1.00 0.00 C ATOM 509 C SER A 111 -13.565 -8.815 6.751 1.00 0.00 C ATOM 510 O SER A 111 -13.496 -9.689 5.888 1.00 0.00 O ATOM 511 CB SER A 111 -14.889 -9.980 8.525 1.00 0.00 C ATOM 512 OG SER A 111 -15.094 -11.126 7.716 1.00 0.00 O ATOM 0 H SER A 111 -15.908 -8.720 5.904 1.00 0.00 H new ATOM 0 HA SER A 111 -14.647 -7.855 8.326 1.00 0.00 H new ATOM 0 HB2 SER A 111 -13.981 -10.105 9.115 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.715 -9.876 9.229 1.00 0.00 H new ATOM 0 HG SER A 111 -14.659 -10.996 6.848 1.00 0.00 H new ATOM 518 N ASN A 112 -12.610 -7.910 6.942 1.00 0.00 N ATOM 519 CA ASN A 112 -11.399 -7.894 6.129 1.00 0.00 C ATOM 520 C ASN A 112 -10.331 -8.805 6.727 1.00 0.00 C ATOM 521 O ASN A 112 -9.135 -8.534 6.617 1.00 0.00 O ATOM 522 CB ASN A 112 -10.859 -6.467 6.010 1.00 0.00 C ATOM 523 CG ASN A 112 -10.941 -5.706 7.319 1.00 0.00 C ATOM 524 OD1 ASN A 112 -10.559 -6.217 8.372 1.00 0.00 O ATOM 525 ND2 ASN A 112 -11.442 -4.478 7.259 1.00 0.00 N ATOM 0 H ASN A 112 -12.651 -7.179 7.652 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.653 -8.264 5.136 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -9.822 -6.501 5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -11.422 -5.931 5.246 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -11.523 -3.918 8.108 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -11.746 -4.095 6.364 1.00 0.00 H new ATOM 532 N LYS A 113 -10.771 -9.888 7.359 1.00 0.00 N ATOM 533 CA LYS A 113 -9.855 -10.842 7.972 1.00 0.00 C ATOM 534 C LYS A 113 -9.001 -11.534 6.915 1.00 0.00 C ATOM 535 O LYS A 113 -7.777 -11.597 7.034 1.00 0.00 O ATOM 536 CB LYS A 113 -10.635 -11.884 8.776 1.00 0.00 C ATOM 537 CG LYS A 113 -11.211 -11.345 10.074 1.00 0.00 C ATOM 538 CD LYS A 113 -11.680 -12.468 10.985 1.00 0.00 C ATOM 539 CE LYS A 113 -12.756 -11.990 11.948 1.00 0.00 C ATOM 540 NZ LYS A 113 -12.179 -11.228 13.090 1.00 0.00 N ATOM 0 H LYS A 113 -11.758 -10.127 7.460 1.00 0.00 H new ATOM 0 HA LYS A 113 -9.195 -10.293 8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -11.447 -12.271 8.161 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.977 -12.724 9.001 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -10.457 -10.749 10.588 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.047 -10.681 9.854 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -12.068 -13.289 10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -10.833 -12.859 11.549 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -13.468 -11.361 11.414 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -13.311 -12.848 12.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -12.944 -10.920 13.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -11.519 -11.836 13.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -11.671 -10.395 12.730 1.00 0.00 H new ATOM 554 N HIS A 114 -9.655 -12.052 5.879 1.00 0.00 N ATOM 555 CA HIS A 114 -8.955 -12.738 4.799 1.00 0.00 C ATOM 556 C HIS A 114 -8.048 -11.773 4.040 1.00 0.00 C ATOM 557 O HIS A 114 -6.921 -12.116 3.681 1.00 0.00 O ATOM 558 CB HIS A 114 -9.957 -13.376 3.838 1.00 0.00 C ATOM 559 CG HIS A 114 -9.428 -14.591 3.140 1.00 0.00 C ATOM 560 ND1 HIS A 114 -9.254 -15.805 3.771 1.00 0.00 N ATOM 561 CD2 HIS A 114 -9.035 -14.775 1.858 1.00 0.00 C ATOM 562 CE1 HIS A 114 -8.775 -16.683 2.907 1.00 0.00 C ATOM 563 NE2 HIS A 114 -8.634 -16.083 1.738 1.00 0.00 N ATOM 0 H HIS A 114 -10.668 -12.009 5.765 1.00 0.00 H new ATOM 0 HA HIS A 114 -8.337 -13.520 5.239 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -10.856 -13.648 4.391 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.253 -12.638 3.092 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -9.036 -14.031 1.075 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -8.539 -17.715 3.120 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -8.284 -16.520 0.885 1.00 0.00 H new ATOM 571 N LEU A 115 -8.548 -10.566 3.799 1.00 0.00 N ATOM 572 CA LEU A 115 -7.783 -9.551 3.082 1.00 0.00 C ATOM 573 C LEU A 115 -6.453 -9.280 3.776 1.00 0.00 C ATOM 574 O LEU A 115 -5.386 -9.526 3.213 1.00 0.00 O ATOM 575 CB LEU A 115 -8.590 -8.256 2.977 1.00 0.00 C ATOM 576 CG LEU A 115 -10.049 -8.407 2.543 1.00 0.00 C ATOM 577 CD1 LEU A 115 -10.594 -7.082 2.033 1.00 0.00 C ATOM 578 CD2 LEU A 115 -10.179 -9.484 1.476 1.00 0.00 C ATOM 0 H LEU A 115 -9.479 -10.266 4.089 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.578 -9.927 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.570 -7.759 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.088 -7.595 2.270 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.636 -8.709 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.633 -7.209 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.536 -6.336 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -10.004 -6.750 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.224 -9.578 1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.578 -9.211 0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.828 -10.436 1.875 1.00 0.00 H new ATOM 590 N TRP A 116 -6.524 -8.774 5.002 1.00 0.00 N ATOM 591 CA TRP A 116 -5.324 -8.472 5.775 1.00 0.00 C ATOM 592 C TRP A 116 -4.349 -9.643 5.747 1.00 0.00 C ATOM 593 O TRP A 116 -3.151 -9.460 5.532 1.00 0.00 O ATOM 594 CB TRP A 116 -5.695 -8.135 7.220 1.00 0.00 C ATOM 595 CG TRP A 116 -6.057 -6.695 7.420 1.00 0.00 C ATOM 596 CD1 TRP A 116 -7.241 -6.205 7.893 1.00 0.00 C ATOM 597 CD2 TRP A 116 -5.230 -5.558 7.151 1.00 0.00 C ATOM 598 NE1 TRP A 116 -7.200 -4.833 7.934 1.00 0.00 N ATOM 599 CE2 TRP A 116 -5.976 -4.411 7.485 1.00 0.00 C ATOM 600 CE3 TRP A 116 -3.930 -5.397 6.663 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -5.465 -3.123 7.345 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -3.425 -4.118 6.524 1.00 0.00 C ATOM 603 CH2 TRP A 116 -4.191 -2.995 6.865 1.00 0.00 C ATOM 0 H TRP A 116 -7.399 -8.564 5.482 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.838 -7.608 5.321 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -6.534 -8.759 7.527 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.857 -8.385 7.870 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -8.086 -6.808 8.191 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -7.958 -4.226 8.248 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -3.331 -6.256 6.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.054 -2.256 7.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -2.423 -3.982 6.146 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -3.767 -2.009 6.746 1.00 0.00 H new ATOM 614 N GLU A 117 -4.870 -10.847 5.965 1.00 0.00 N ATOM 615 CA GLU A 117 -4.043 -12.048 5.964 1.00 0.00 C ATOM 616 C GLU A 117 -3.353 -12.233 4.616 1.00 0.00 C ATOM 617 O GLU A 117 -2.176 -12.587 4.554 1.00 0.00 O ATOM 618 CB GLU A 117 -4.892 -13.279 6.288 1.00 0.00 C ATOM 619 CG GLU A 117 -5.214 -13.425 7.766 1.00 0.00 C ATOM 620 CD GLU A 117 -5.480 -14.863 8.166 1.00 0.00 C ATOM 621 OE1 GLU A 117 -6.490 -15.431 7.699 1.00 0.00 O ATOM 622 OE2 GLU A 117 -4.680 -15.420 8.946 1.00 0.00 O ATOM 0 H GLU A 117 -5.860 -11.016 6.144 1.00 0.00 H new ATOM 0 HA GLU A 117 -3.278 -11.931 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -5.824 -13.225 5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -4.366 -14.172 5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -4.384 -13.036 8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -6.087 -12.818 8.005 1.00 0.00 H new ATOM 629 N GLN A 118 -4.095 -11.992 3.540 1.00 0.00 N ATOM 630 CA GLN A 118 -3.555 -12.133 2.193 1.00 0.00 C ATOM 631 C GLN A 118 -2.355 -11.215 1.988 1.00 0.00 C ATOM 632 O GLN A 118 -1.287 -11.658 1.566 1.00 0.00 O ATOM 633 CB GLN A 118 -4.633 -11.823 1.154 1.00 0.00 C ATOM 634 CG GLN A 118 -5.709 -12.893 1.054 1.00 0.00 C ATOM 635 CD GLN A 118 -7.054 -12.331 0.639 1.00 0.00 C ATOM 636 OE1 GLN A 118 -7.925 -12.091 1.477 1.00 0.00 O ATOM 637 NE2 GLN A 118 -7.232 -12.118 -0.659 1.00 0.00 N ATOM 0 H GLN A 118 -5.071 -11.698 3.575 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.225 -13.164 2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -5.102 -10.871 1.402 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.161 -11.702 0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -5.398 -13.650 0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -5.810 -13.393 2.018 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -6.483 -12.331 -1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.117 -11.741 -0.997 1.00 0.00 H new ATOM 646 N ILE A 119 -2.539 -9.934 2.290 1.00 0.00 N ATOM 647 CA ILE A 119 -1.471 -8.953 2.139 1.00 0.00 C ATOM 648 C ILE A 119 -0.251 -9.336 2.971 1.00 0.00 C ATOM 649 O ILE A 119 0.883 -9.258 2.500 1.00 0.00 O ATOM 650 CB ILE A 119 -1.937 -7.545 2.552 1.00 0.00 C ATOM 651 CG1 ILE A 119 -3.052 -7.060 1.622 1.00 0.00 C ATOM 652 CG2 ILE A 119 -0.767 -6.573 2.536 1.00 0.00 C ATOM 653 CD1 ILE A 119 -3.821 -5.877 2.166 1.00 0.00 C ATOM 0 H ILE A 119 -3.417 -9.551 2.641 1.00 0.00 H new ATOM 0 HA ILE A 119 -1.200 -8.942 1.083 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.330 -7.592 3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.619 -6.790 0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -3.745 -7.881 1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.113 -5.582 2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -0.002 -6.913 3.235 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.346 -6.527 1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.595 -5.588 1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -4.284 -6.149 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.140 -5.040 2.321 1.00 0.00 H new ATOM 665 N SER A 120 -0.494 -9.752 4.210 1.00 0.00 N ATOM 666 CA SER A 120 0.585 -10.147 5.108 1.00 0.00 C ATOM 667 C SER A 120 1.479 -11.197 4.456 1.00 0.00 C ATOM 668 O SER A 120 2.701 -11.166 4.603 1.00 0.00 O ATOM 669 CB SER A 120 0.012 -10.690 6.419 1.00 0.00 C ATOM 670 OG SER A 120 0.894 -10.447 7.501 1.00 0.00 O ATOM 0 H SER A 120 -1.428 -9.824 4.614 1.00 0.00 H new ATOM 0 HA SER A 120 1.188 -9.265 5.321 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.952 -10.222 6.619 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.167 -11.761 6.325 1.00 0.00 H new ATOM 0 HG SER A 120 0.504 -10.802 8.327 1.00 0.00 H new ATOM 676 N SER A 121 0.860 -12.126 3.735 1.00 0.00 N ATOM 677 CA SER A 121 1.598 -13.189 3.063 1.00 0.00 C ATOM 678 C SER A 121 2.324 -12.653 1.832 1.00 0.00 C ATOM 679 O SER A 121 3.401 -13.129 1.475 1.00 0.00 O ATOM 680 CB SER A 121 0.651 -14.320 2.657 1.00 0.00 C ATOM 681 OG SER A 121 1.370 -15.432 2.154 1.00 0.00 O ATOM 0 H SER A 121 -0.150 -12.164 3.601 1.00 0.00 H new ATOM 0 HA SER A 121 2.340 -13.578 3.761 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.056 -14.627 3.517 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.046 -13.961 1.900 1.00 0.00 H new ATOM 0 HG SER A 121 0.742 -16.141 1.903 1.00 0.00 H new ATOM 687 N LYS A 122 1.725 -11.657 1.187 1.00 0.00 N ATOM 688 CA LYS A 122 2.312 -11.053 -0.003 1.00 0.00 C ATOM 689 C LYS A 122 3.452 -10.112 0.371 1.00 0.00 C ATOM 690 O LYS A 122 4.382 -9.909 -0.409 1.00 0.00 O ATOM 691 CB LYS A 122 1.245 -10.290 -0.792 1.00 0.00 C ATOM 692 CG LYS A 122 0.005 -11.115 -1.091 1.00 0.00 C ATOM 693 CD LYS A 122 0.131 -11.852 -2.414 1.00 0.00 C ATOM 694 CE LYS A 122 0.740 -13.233 -2.226 1.00 0.00 C ATOM 695 NZ LYS A 122 1.421 -13.711 -3.461 1.00 0.00 N ATOM 0 H LYS A 122 0.833 -11.251 1.469 1.00 0.00 H new ATOM 0 HA LYS A 122 2.713 -11.853 -0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 122 0.954 -9.403 -0.230 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.677 -9.945 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.158 -11.833 -0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.869 -10.464 -1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.852 -11.946 -2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.749 -11.271 -3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 122 1.455 -13.206 -1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.041 -13.939 -1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 1.133 -14.691 -3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 1.155 -13.103 -4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 2.451 -13.674 -3.326 1.00 0.00 H new ATOM 709 N MET A 123 3.374 -9.541 1.569 1.00 0.00 N ATOM 710 CA MET A 123 4.402 -8.623 2.046 1.00 0.00 C ATOM 711 C MET A 123 5.482 -9.372 2.821 1.00 0.00 C ATOM 712 O MET A 123 6.635 -8.943 2.869 1.00 0.00 O ATOM 713 CB MET A 123 3.779 -7.542 2.931 1.00 0.00 C ATOM 714 CG MET A 123 3.578 -7.979 4.373 1.00 0.00 C ATOM 715 SD MET A 123 5.074 -7.814 5.365 1.00 0.00 S ATOM 716 CE MET A 123 5.491 -6.098 5.066 1.00 0.00 C ATOM 0 H MET A 123 2.610 -9.698 2.227 1.00 0.00 H new ATOM 0 HA MET A 123 4.864 -8.151 1.179 1.00 0.00 H new ATOM 0 HB2 MET A 123 4.416 -6.658 2.913 1.00 0.00 H new ATOM 0 HB3 MET A 123 2.817 -7.250 2.511 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.782 -7.384 4.821 1.00 0.00 H new ATOM 0 HG3 MET A 123 3.248 -9.018 4.391 1.00 0.00 H new ATOM 0 HE1 MET A 123 6.020 -5.696 5.930 1.00 0.00 H new ATOM 0 HE2 MET A 123 6.129 -6.027 4.185 1.00 0.00 H new ATOM 0 HE3 MET A 123 4.578 -5.525 4.900 1.00 0.00 H new ATOM 726 N ARG A 124 5.101 -10.492 3.426 1.00 0.00 N ATOM 727 CA ARG A 124 6.036 -11.299 4.200 1.00 0.00 C ATOM 728 C ARG A 124 6.849 -12.214 3.288 1.00 0.00 C ATOM 729 O ARG A 124 7.972 -12.594 3.616 1.00 0.00 O ATOM 730 CB ARG A 124 5.285 -12.133 5.239 1.00 0.00 C ATOM 731 CG ARG A 124 6.164 -13.141 5.961 1.00 0.00 C ATOM 732 CD ARG A 124 5.334 -14.126 6.769 1.00 0.00 C ATOM 733 NE ARG A 124 4.766 -15.179 5.932 1.00 0.00 N ATOM 734 CZ ARG A 124 3.878 -16.066 6.367 1.00 0.00 C ATOM 735 NH1 ARG A 124 3.458 -16.026 7.624 1.00 0.00 N ATOM 736 NH2 ARG A 124 3.407 -16.994 5.545 1.00 0.00 N ATOM 0 H ARG A 124 4.151 -10.861 3.395 1.00 0.00 H new ATOM 0 HA ARG A 124 6.721 -10.624 4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 124 4.835 -11.464 5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.469 -12.662 4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 124 6.769 -13.683 5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 124 6.854 -12.616 6.622 1.00 0.00 H new ATOM 0 HD2 ARG A 124 5.956 -14.575 7.543 1.00 0.00 H new ATOM 0 HD3 ARG A 124 4.530 -13.592 7.276 1.00 0.00 H new ATOM 0 HE ARG A 124 5.068 -15.237 4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 124 3.817 -15.313 8.259 1.00 0.00 H new ATOM 0 HH12 ARG A 124 2.776 -16.708 7.956 1.00 0.00 H new ATOM 0 HH21 ARG A 124 3.727 -17.028 4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.725 -17.674 5.881 1.00 0.00 H new ATOM 750 N GLU A 125 6.271 -12.563 2.142 1.00 0.00 N ATOM 751 CA GLU A 125 6.942 -13.434 1.184 1.00 0.00 C ATOM 752 C GLU A 125 8.166 -12.746 0.587 1.00 0.00 C ATOM 753 O GLU A 125 9.124 -13.402 0.179 1.00 0.00 O ATOM 754 CB GLU A 125 5.977 -13.842 0.069 1.00 0.00 C ATOM 755 CG GLU A 125 5.570 -12.689 -0.834 1.00 0.00 C ATOM 756 CD GLU A 125 5.222 -13.144 -2.239 1.00 0.00 C ATOM 757 OE1 GLU A 125 6.148 -13.280 -3.066 1.00 0.00 O ATOM 758 OE2 GLU A 125 4.023 -13.365 -2.510 1.00 0.00 O ATOM 0 H GLU A 125 5.341 -12.256 1.855 1.00 0.00 H new ATOM 0 HA GLU A 125 7.272 -14.328 1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.442 -14.620 -0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 125 5.082 -14.277 0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 125 4.712 -12.177 -0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.383 -11.965 -0.881 1.00 0.00 H new ATOM 765 N LYS A 126 8.126 -11.419 0.538 1.00 0.00 N ATOM 766 CA LYS A 126 9.230 -10.639 -0.009 1.00 0.00 C ATOM 767 C LYS A 126 10.501 -10.850 0.807 1.00 0.00 C ATOM 768 O LYS A 126 11.585 -11.027 0.252 1.00 0.00 O ATOM 769 CB LYS A 126 8.868 -9.152 -0.033 1.00 0.00 C ATOM 770 CG LYS A 126 7.554 -8.858 -0.735 1.00 0.00 C ATOM 771 CD LYS A 126 7.718 -8.850 -2.246 1.00 0.00 C ATOM 772 CE LYS A 126 8.322 -7.542 -2.734 1.00 0.00 C ATOM 773 NZ LYS A 126 9.802 -7.520 -2.573 1.00 0.00 N ATOM 0 H LYS A 126 7.340 -10.861 0.871 1.00 0.00 H new ATOM 0 HA LYS A 126 9.413 -10.979 -1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 126 8.814 -8.783 0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.667 -8.600 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 126 6.814 -9.607 -0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.172 -7.892 -0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 126 8.355 -9.681 -2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.748 -9.003 -2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 126 8.069 -7.395 -3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 126 7.884 -6.711 -2.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 10.235 -7.069 -3.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 10.050 -6.982 -1.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 10.156 -8.494 -2.484 1.00 0.00 H new ATOM 787 N GLY A 127 10.361 -10.833 2.129 1.00 0.00 N ATOM 788 CA GLY A 127 11.506 -11.025 3.000 1.00 0.00 C ATOM 789 C GLY A 127 11.388 -10.246 4.294 1.00 0.00 C ATOM 790 O GLY A 127 12.377 -9.716 4.801 1.00 0.00 O ATOM 0 H GLY A 127 9.474 -10.690 2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 127 11.612 -12.086 3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.412 -10.719 2.477 1.00 0.00 H new ATOM 794 N PHE A 128 10.174 -10.174 4.831 1.00 0.00 N ATOM 795 CA PHE A 128 9.929 -9.451 6.074 1.00 0.00 C ATOM 796 C PHE A 128 9.060 -10.275 7.020 1.00 0.00 C ATOM 797 O PHE A 128 7.854 -10.407 6.815 1.00 0.00 O ATOM 798 CB PHE A 128 9.256 -8.108 5.783 1.00 0.00 C ATOM 799 CG PHE A 128 9.939 -7.316 4.706 1.00 0.00 C ATOM 800 CD1 PHE A 128 11.025 -6.508 5.004 1.00 0.00 C ATOM 801 CD2 PHE A 128 9.495 -7.378 3.395 1.00 0.00 C ATOM 802 CE1 PHE A 128 11.654 -5.777 4.015 1.00 0.00 C ATOM 803 CE2 PHE A 128 10.121 -6.649 2.401 1.00 0.00 C ATOM 804 CZ PHE A 128 11.203 -5.849 2.711 1.00 0.00 C ATOM 0 H PHE A 128 9.345 -10.607 4.425 1.00 0.00 H new ATOM 0 HA PHE A 128 10.890 -9.271 6.556 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.221 -8.285 5.491 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.233 -7.517 6.698 1.00 0.00 H new ATOM 0 HD1 PHE A 128 11.384 -6.449 6.021 1.00 0.00 H new ATOM 0 HD2 PHE A 128 8.650 -8.003 3.147 1.00 0.00 H new ATOM 0 HE1 PHE A 128 12.498 -5.149 4.261 1.00 0.00 H new ATOM 0 HE2 PHE A 128 9.764 -6.705 1.383 1.00 0.00 H new ATOM 0 HZ PHE A 128 11.696 -5.281 1.936 1.00 0.00 H new ATOM 814 N ASP A 129 9.683 -10.827 8.055 1.00 0.00 N ATOM 815 CA ASP A 129 8.968 -11.638 9.034 1.00 0.00 C ATOM 816 C ASP A 129 8.127 -10.760 9.956 1.00 0.00 C ATOM 817 O ASP A 129 8.607 -10.287 10.986 1.00 0.00 O ATOM 818 CB ASP A 129 9.953 -12.468 9.858 1.00 0.00 C ATOM 819 CG ASP A 129 10.242 -13.817 9.229 1.00 0.00 C ATOM 820 OD1 ASP A 129 9.503 -14.779 9.523 1.00 0.00 O ATOM 821 OD2 ASP A 129 11.207 -13.910 8.442 1.00 0.00 O ATOM 0 H ASP A 129 10.682 -10.728 8.238 1.00 0.00 H new ATOM 0 HA ASP A 129 8.301 -12.311 8.495 1.00 0.00 H new ATOM 0 HB2 ASP A 129 10.886 -11.915 9.969 1.00 0.00 H new ATOM 0 HB3 ASP A 129 9.549 -12.616 10.860 1.00 0.00 H new ATOM 826 N ARG A 130 6.871 -10.547 9.578 1.00 0.00 N ATOM 827 CA ARG A 130 5.964 -9.724 10.369 1.00 0.00 C ATOM 828 C ARG A 130 4.584 -10.368 10.458 1.00 0.00 C ATOM 829 O ARG A 130 4.277 -11.306 9.722 1.00 0.00 O ATOM 830 CB ARG A 130 5.849 -8.325 9.761 1.00 0.00 C ATOM 831 CG ARG A 130 7.083 -7.465 9.973 1.00 0.00 C ATOM 832 CD ARG A 130 6.727 -5.988 10.050 1.00 0.00 C ATOM 833 NE ARG A 130 7.681 -5.237 10.862 1.00 0.00 N ATOM 834 CZ ARG A 130 8.949 -5.047 10.518 1.00 0.00 C ATOM 835 NH1 ARG A 130 9.414 -5.550 9.383 1.00 0.00 N ATOM 836 NH2 ARG A 130 9.756 -4.351 11.310 1.00 0.00 N ATOM 0 H ARG A 130 6.458 -10.933 8.729 1.00 0.00 H new ATOM 0 HA ARG A 130 6.373 -9.642 11.376 1.00 0.00 H new ATOM 0 HB2 ARG A 130 5.661 -8.417 8.691 1.00 0.00 H new ATOM 0 HB3 ARG A 130 4.986 -7.820 10.194 1.00 0.00 H new ATOM 0 HG2 ARG A 130 7.585 -7.768 10.892 1.00 0.00 H new ATOM 0 HG3 ARG A 130 7.786 -7.629 9.157 1.00 0.00 H new ATOM 0 HD2 ARG A 130 6.698 -5.569 9.044 1.00 0.00 H new ATOM 0 HD3 ARG A 130 5.727 -5.877 10.470 1.00 0.00 H new ATOM 0 HE ARG A 130 7.355 -4.837 11.742 1.00 0.00 H new ATOM 0 HH11 ARG A 130 8.797 -6.085 8.771 1.00 0.00 H new ATOM 0 HH12 ARG A 130 10.389 -5.402 9.121 1.00 0.00 H new ATOM 0 HH21 ARG A 130 9.402 -3.962 12.184 1.00 0.00 H new ATOM 0 HH22 ARG A 130 10.730 -4.206 11.045 1.00 0.00 H new ATOM 850 N SER A 131 3.755 -9.857 11.363 1.00 0.00 N ATOM 851 CA SER A 131 2.409 -10.385 11.551 1.00 0.00 C ATOM 852 C SER A 131 1.367 -9.438 10.964 1.00 0.00 C ATOM 853 O SER A 131 1.627 -8.258 10.727 1.00 0.00 O ATOM 854 CB SER A 131 2.130 -10.609 13.039 1.00 0.00 C ATOM 855 OG SER A 131 2.506 -11.916 13.437 1.00 0.00 O ATOM 0 H SER A 131 3.992 -9.078 11.977 1.00 0.00 H new ATOM 0 HA SER A 131 2.343 -11.339 11.028 1.00 0.00 H new ATOM 0 HB2 SER A 131 2.677 -9.874 13.629 1.00 0.00 H new ATOM 0 HB3 SER A 131 1.070 -10.455 13.241 1.00 0.00 H new ATOM 0 HG SER A 131 2.319 -12.034 14.392 1.00 0.00 H new ATOM 861 N PRO A 132 0.158 -9.966 10.722 1.00 0.00 N ATOM 862 CA PRO A 132 -0.948 -9.186 10.159 1.00 0.00 C ATOM 863 C PRO A 132 -1.488 -8.153 11.142 1.00 0.00 C ATOM 864 O PRO A 132 -2.191 -7.220 10.754 1.00 0.00 O ATOM 865 CB PRO A 132 -2.012 -10.245 9.859 1.00 0.00 C ATOM 866 CG PRO A 132 -1.715 -11.358 10.803 1.00 0.00 C ATOM 867 CD PRO A 132 -0.222 -11.365 10.979 1.00 0.00 C ATOM 0 HA PRO A 132 -0.639 -8.613 9.285 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -3.017 -9.852 10.014 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -1.957 -10.579 8.823 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -2.220 -11.206 11.757 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -2.065 -12.311 10.406 1.00 0.00 H new ATOM 0 HD2 PRO A 132 0.063 -11.681 11.983 1.00 0.00 H new ATOM 0 HD3 PRO A 132 0.262 -12.048 10.280 1.00 0.00 H new ATOM 875 N ASP A 133 -1.154 -8.325 12.417 1.00 0.00 N ATOM 876 CA ASP A 133 -1.604 -7.406 13.456 1.00 0.00 C ATOM 877 C ASP A 133 -0.827 -6.094 13.395 1.00 0.00 C ATOM 878 O ASP A 133 -1.413 -5.013 13.440 1.00 0.00 O ATOM 879 CB ASP A 133 -1.443 -8.045 14.836 1.00 0.00 C ATOM 880 CG ASP A 133 -1.866 -9.500 14.853 1.00 0.00 C ATOM 881 OD1 ASP A 133 -2.934 -9.814 14.287 1.00 0.00 O ATOM 882 OD2 ASP A 133 -1.130 -10.326 15.434 1.00 0.00 O ATOM 0 H ASP A 133 -0.573 -9.092 12.755 1.00 0.00 H new ATOM 0 HA ASP A 133 -2.659 -7.191 13.285 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -0.402 -7.969 15.149 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -2.036 -7.489 15.562 1.00 0.00 H new ATOM 887 N MET A 134 0.494 -6.199 13.293 1.00 0.00 N ATOM 888 CA MET A 134 1.350 -5.021 13.226 1.00 0.00 C ATOM 889 C MET A 134 1.217 -4.328 11.874 1.00 0.00 C ATOM 890 O MET A 134 1.352 -3.107 11.775 1.00 0.00 O ATOM 891 CB MET A 134 2.809 -5.410 13.471 1.00 0.00 C ATOM 892 CG MET A 134 3.362 -6.376 12.435 1.00 0.00 C ATOM 893 SD MET A 134 5.000 -6.994 12.867 1.00 0.00 S ATOM 894 CE MET A 134 5.789 -5.492 13.441 1.00 0.00 C ATOM 0 H MET A 134 0.994 -7.087 13.255 1.00 0.00 H new ATOM 0 HA MET A 134 1.031 -4.327 14.003 1.00 0.00 H new ATOM 0 HB2 MET A 134 3.421 -4.508 13.478 1.00 0.00 H new ATOM 0 HB3 MET A 134 2.895 -5.861 14.459 1.00 0.00 H new ATOM 0 HG2 MET A 134 2.677 -7.217 12.326 1.00 0.00 H new ATOM 0 HG3 MET A 134 3.410 -5.877 11.467 1.00 0.00 H new ATOM 0 HE1 MET A 134 6.867 -5.644 13.491 1.00 0.00 H new ATOM 0 HE2 MET A 134 5.569 -4.678 12.750 1.00 0.00 H new ATOM 0 HE3 MET A 134 5.412 -5.239 14.432 1.00 0.00 H new ATOM 904 N CYS A 135 0.950 -5.113 10.836 1.00 0.00 N ATOM 905 CA CYS A 135 0.799 -4.574 9.489 1.00 0.00 C ATOM 906 C CYS A 135 -0.446 -3.699 9.389 1.00 0.00 C ATOM 907 O CYS A 135 -0.412 -2.614 8.809 1.00 0.00 O ATOM 908 CB CYS A 135 0.722 -5.710 8.468 1.00 0.00 C ATOM 909 SG CYS A 135 2.269 -6.624 8.263 1.00 0.00 S ATOM 0 H CYS A 135 0.834 -6.124 10.901 1.00 0.00 H new ATOM 0 HA CYS A 135 1.672 -3.958 9.271 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -0.061 -6.405 8.772 1.00 0.00 H new ATOM 0 HB3 CYS A 135 0.425 -5.298 7.504 1.00 0.00 H new ATOM 0 HG CYS A 135 2.402 -7.475 9.236 1.00 0.00 H new ATOM 915 N THR A 136 -1.548 -4.180 9.958 1.00 0.00 N ATOM 916 CA THR A 136 -2.805 -3.444 9.932 1.00 0.00 C ATOM 917 C THR A 136 -2.707 -2.158 10.745 1.00 0.00 C ATOM 918 O THR A 136 -3.174 -1.103 10.314 1.00 0.00 O ATOM 919 CB THR A 136 -3.966 -4.296 10.478 1.00 0.00 C ATOM 920 OG1 THR A 136 -4.215 -5.403 9.604 1.00 0.00 O ATOM 921 CG2 THR A 136 -5.230 -3.461 10.620 1.00 0.00 C ATOM 0 H THR A 136 -1.594 -5.076 10.442 1.00 0.00 H new ATOM 0 HA THR A 136 -3.004 -3.197 8.889 1.00 0.00 H new ATOM 0 HB THR A 136 -3.683 -4.668 11.463 1.00 0.00 H new ATOM 0 HG1 THR A 136 -4.357 -5.074 8.692 1.00 0.00 H new ATOM 0 HG21 THR A 136 -6.036 -4.084 11.007 1.00 0.00 H new ATOM 0 HG22 THR A 136 -5.046 -2.636 11.309 1.00 0.00 H new ATOM 0 HG23 THR A 136 -5.515 -3.063 9.646 1.00 0.00 H new ATOM 929 N ASP A 137 -2.097 -2.253 11.921 1.00 0.00 N ATOM 930 CA ASP A 137 -1.936 -1.095 12.794 1.00 0.00 C ATOM 931 C ASP A 137 -1.107 -0.012 12.112 1.00 0.00 C ATOM 932 O ASP A 137 -1.461 1.167 12.141 1.00 0.00 O ATOM 933 CB ASP A 137 -1.275 -1.510 14.109 1.00 0.00 C ATOM 934 CG ASP A 137 -1.196 -0.368 15.103 1.00 0.00 C ATOM 935 OD1 ASP A 137 -0.262 0.453 14.990 1.00 0.00 O ATOM 936 OD2 ASP A 137 -2.068 -0.295 15.994 1.00 0.00 O ATOM 0 H ASP A 137 -1.706 -3.119 12.292 1.00 0.00 H new ATOM 0 HA ASP A 137 -2.925 -0.689 13.006 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -1.836 -2.334 14.550 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -0.270 -1.881 13.906 1.00 0.00 H new ATOM 941 N LYS A 138 0.000 -0.419 11.500 1.00 0.00 N ATOM 942 CA LYS A 138 0.882 0.516 10.811 1.00 0.00 C ATOM 943 C LYS A 138 0.131 1.262 9.712 1.00 0.00 C ATOM 944 O LYS A 138 0.192 2.488 9.628 1.00 0.00 O ATOM 945 CB LYS A 138 2.079 -0.226 10.212 1.00 0.00 C ATOM 946 CG LYS A 138 2.986 0.658 9.374 1.00 0.00 C ATOM 947 CD LYS A 138 3.652 1.732 10.218 1.00 0.00 C ATOM 948 CE LYS A 138 4.658 2.533 9.407 1.00 0.00 C ATOM 949 NZ LYS A 138 4.808 3.922 9.924 1.00 0.00 N ATOM 0 H LYS A 138 0.308 -1.391 11.467 1.00 0.00 H new ATOM 0 HA LYS A 138 1.241 1.243 11.540 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.662 -0.669 11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 138 1.715 -1.047 9.595 1.00 0.00 H new ATOM 0 HG2 LYS A 138 3.749 0.046 8.893 1.00 0.00 H new ATOM 0 HG3 LYS A 138 2.406 1.126 8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.893 2.402 10.622 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.154 1.269 11.068 1.00 0.00 H new ATOM 0 HE2 LYS A 138 5.625 2.031 9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.340 2.566 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 5.502 4.435 9.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 3.891 4.410 9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 5.136 3.892 10.911 1.00 0.00 H new ATOM 963 N TRP A 139 -0.577 0.514 8.873 1.00 0.00 N ATOM 964 CA TRP A 139 -1.340 1.105 7.780 1.00 0.00 C ATOM 965 C TRP A 139 -2.332 2.138 8.305 1.00 0.00 C ATOM 966 O TRP A 139 -2.456 3.230 7.751 1.00 0.00 O ATOM 967 CB TRP A 139 -2.082 0.017 7.002 1.00 0.00 C ATOM 968 CG TRP A 139 -3.153 0.556 6.102 1.00 0.00 C ATOM 969 CD1 TRP A 139 -4.492 0.607 6.362 1.00 0.00 C ATOM 970 CD2 TRP A 139 -2.973 1.118 4.797 1.00 0.00 C ATOM 971 NE1 TRP A 139 -5.157 1.167 5.297 1.00 0.00 N ATOM 972 CE2 TRP A 139 -4.248 1.490 4.325 1.00 0.00 C ATOM 973 CE3 TRP A 139 -1.861 1.346 3.983 1.00 0.00 C ATOM 974 CZ2 TRP A 139 -4.437 2.075 3.076 1.00 0.00 C ATOM 975 CZ3 TRP A 139 -2.050 1.926 2.744 1.00 0.00 C ATOM 976 CH2 TRP A 139 -3.330 2.286 2.300 1.00 0.00 C ATOM 0 H TRP A 139 -0.638 -0.503 8.929 1.00 0.00 H new ATOM 0 HA TRP A 139 -0.641 1.607 7.111 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -1.365 -0.546 6.405 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -2.529 -0.684 7.707 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -4.960 0.259 7.271 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -6.164 1.318 5.240 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -0.871 1.073 4.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -5.422 2.352 2.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.197 2.105 2.106 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -3.445 2.739 1.326 1.00 0.00 H new ATOM 987 N ARG A 140 -3.035 1.785 9.376 1.00 0.00 N ATOM 988 CA ARG A 140 -4.017 2.681 9.974 1.00 0.00 C ATOM 989 C ARG A 140 -3.383 4.023 10.329 1.00 0.00 C ATOM 990 O ARG A 140 -3.893 5.079 9.959 1.00 0.00 O ATOM 991 CB ARG A 140 -4.623 2.045 11.226 1.00 0.00 C ATOM 992 CG ARG A 140 -5.672 0.987 10.925 1.00 0.00 C ATOM 993 CD ARG A 140 -7.064 1.593 10.830 1.00 0.00 C ATOM 994 NE ARG A 140 -7.583 1.979 12.139 1.00 0.00 N ATOM 995 CZ ARG A 140 -8.189 1.135 12.967 1.00 0.00 C ATOM 996 NH1 ARG A 140 -8.350 -0.135 12.624 1.00 0.00 N ATOM 997 NH2 ARG A 140 -8.634 1.561 14.142 1.00 0.00 N ATOM 0 H ARG A 140 -2.943 0.885 9.847 1.00 0.00 H new ATOM 0 HA ARG A 140 -4.807 2.853 9.243 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -3.825 1.596 11.817 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -5.073 2.826 11.839 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -5.427 0.487 9.988 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.658 0.226 11.706 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -7.035 2.467 10.179 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -7.742 0.874 10.369 1.00 0.00 H new ATOM 0 HE ARG A 140 -7.474 2.949 12.434 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -8.008 -0.467 11.722 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -8.816 -0.780 13.262 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -8.511 2.537 14.410 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -9.099 0.912 14.777 1.00 0.00 H new ATOM 1011 N ASN A 141 -2.267 3.972 11.049 1.00 0.00 N ATOM 1012 CA ASN A 141 -1.563 5.184 11.455 1.00 0.00 C ATOM 1013 C ASN A 141 -1.138 5.999 10.238 1.00 0.00 C ATOM 1014 O ASN A 141 -1.192 7.230 10.252 1.00 0.00 O ATOM 1015 CB ASN A 141 -0.337 4.828 12.298 1.00 0.00 C ATOM 1016 CG ASN A 141 0.541 6.032 12.578 1.00 0.00 C ATOM 1017 OD1 ASN A 141 0.051 7.101 12.944 1.00 0.00 O ATOM 1018 ND2 ASN A 141 1.847 5.865 12.407 1.00 0.00 N ATOM 0 H ASN A 141 -1.831 3.105 11.363 1.00 0.00 H new ATOM 0 HA ASN A 141 -2.245 5.787 12.054 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -0.663 4.392 13.242 1.00 0.00 H new ATOM 0 HB3 ASN A 141 0.248 4.068 11.781 1.00 0.00 H new ATOM 0 HD21 ASN A 141 2.487 6.640 12.580 1.00 0.00 H new ATOM 0 HD22 ASN A 141 2.210 4.962 12.102 1.00 0.00 H new ATOM 1025 N LEU A 142 -0.717 5.306 9.186 1.00 0.00 N ATOM 1026 CA LEU A 142 -0.283 5.966 7.959 1.00 0.00 C ATOM 1027 C LEU A 142 -1.382 6.868 7.408 1.00 0.00 C ATOM 1028 O LEU A 142 -1.151 8.043 7.123 1.00 0.00 O ATOM 1029 CB LEU A 142 0.113 4.925 6.910 1.00 0.00 C ATOM 1030 CG LEU A 142 1.430 4.190 7.158 1.00 0.00 C ATOM 1031 CD1 LEU A 142 1.508 2.933 6.305 1.00 0.00 C ATOM 1032 CD2 LEU A 142 2.613 5.104 6.872 1.00 0.00 C ATOM 0 H LEU A 142 -0.667 4.288 9.158 1.00 0.00 H new ATOM 0 HA LEU A 142 0.584 6.584 8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -0.685 4.186 6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.173 5.420 5.941 1.00 0.00 H new ATOM 0 HG LEU A 142 1.468 3.896 8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.452 2.423 6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 142 0.680 2.270 6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.447 3.204 5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.542 4.564 7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 142 2.579 5.428 5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 142 2.566 5.975 7.525 1.00 0.00 H new ATOM 1044 N LEU A 143 -2.580 6.311 7.261 1.00 0.00 N ATOM 1045 CA LEU A 143 -3.717 7.065 6.746 1.00 0.00 C ATOM 1046 C LEU A 143 -3.989 8.295 7.607 1.00 0.00 C ATOM 1047 O LEU A 143 -4.148 9.403 7.094 1.00 0.00 O ATOM 1048 CB LEU A 143 -4.962 6.178 6.696 1.00 0.00 C ATOM 1049 CG LEU A 143 -4.826 4.875 5.907 1.00 0.00 C ATOM 1050 CD1 LEU A 143 -6.038 3.985 6.134 1.00 0.00 C ATOM 1051 CD2 LEU A 143 -4.647 5.166 4.424 1.00 0.00 C ATOM 0 H LEU A 143 -2.788 5.339 7.491 1.00 0.00 H new ATOM 0 HA LEU A 143 -3.474 7.397 5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -5.250 5.932 7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -5.779 6.757 6.265 1.00 0.00 H new ATOM 0 HG LEU A 143 -3.941 4.348 6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -5.924 3.062 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.122 3.749 7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -6.938 4.505 5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -4.552 4.227 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -5.513 5.715 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -3.748 5.764 4.277 1.00 0.00 H new ATOM 1063 N LYS A 144 -4.039 8.093 8.919 1.00 0.00 N ATOM 1064 CA LYS A 144 -4.289 9.184 9.853 1.00 0.00 C ATOM 1065 C LYS A 144 -3.250 10.289 9.689 1.00 0.00 C ATOM 1066 O LYS A 144 -3.590 11.434 9.395 1.00 0.00 O ATOM 1067 CB LYS A 144 -4.274 8.665 11.293 1.00 0.00 C ATOM 1068 CG LYS A 144 -5.324 7.602 11.566 1.00 0.00 C ATOM 1069 CD LYS A 144 -5.465 7.327 13.054 1.00 0.00 C ATOM 1070 CE LYS A 144 -4.309 6.489 13.578 1.00 0.00 C ATOM 1071 NZ LYS A 144 -4.620 5.881 14.901 1.00 0.00 N ATOM 0 H LYS A 144 -3.909 7.182 9.360 1.00 0.00 H new ATOM 0 HA LYS A 144 -5.273 9.598 9.633 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -3.288 8.255 11.513 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -4.430 9.502 11.974 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -6.284 7.925 11.162 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -5.054 6.681 11.049 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -5.507 8.271 13.597 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -6.406 6.809 13.242 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -4.078 5.701 12.861 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -3.419 7.112 13.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -3.807 5.318 15.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -4.816 6.634 15.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -5.454 5.266 14.813 1.00 0.00 H new ATOM 1085 N GLU A 145 -1.982 9.936 9.881 1.00 0.00 N ATOM 1086 CA GLU A 145 -0.894 10.898 9.753 1.00 0.00 C ATOM 1087 C GLU A 145 -0.964 11.623 8.412 1.00 0.00 C ATOM 1088 O GLU A 145 -0.853 12.848 8.349 1.00 0.00 O ATOM 1089 CB GLU A 145 0.457 10.195 9.896 1.00 0.00 C ATOM 1090 CG GLU A 145 0.706 9.630 11.284 1.00 0.00 C ATOM 1091 CD GLU A 145 1.102 10.698 12.286 1.00 0.00 C ATOM 1092 OE1 GLU A 145 2.274 11.129 12.262 1.00 0.00 O ATOM 1093 OE2 GLU A 145 0.240 11.101 13.094 1.00 0.00 O ATOM 0 H GLU A 145 -1.684 8.992 10.125 1.00 0.00 H new ATOM 0 HA GLU A 145 -0.998 11.634 10.550 1.00 0.00 H new ATOM 0 HB2 GLU A 145 0.515 9.386 9.168 1.00 0.00 H new ATOM 0 HB3 GLU A 145 1.252 10.900 9.652 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -0.194 9.125 11.634 1.00 0.00 H new ATOM 0 HG3 GLU A 145 1.493 8.878 11.230 1.00 0.00 H new ATOM 1100 N PHE A 146 -1.147 10.858 7.341 1.00 0.00 N ATOM 1101 CA PHE A 146 -1.230 11.426 6.001 1.00 0.00 C ATOM 1102 C PHE A 146 -2.117 12.668 5.990 1.00 0.00 C ATOM 1103 O PHE A 146 -1.677 13.756 5.617 1.00 0.00 O ATOM 1104 CB PHE A 146 -1.775 10.388 5.017 1.00 0.00 C ATOM 1105 CG PHE A 146 -0.705 9.551 4.376 1.00 0.00 C ATOM 1106 CD1 PHE A 146 0.419 10.142 3.824 1.00 0.00 C ATOM 1107 CD2 PHE A 146 -0.825 8.171 4.325 1.00 0.00 C ATOM 1108 CE1 PHE A 146 1.406 9.374 3.234 1.00 0.00 C ATOM 1109 CE2 PHE A 146 0.158 7.398 3.737 1.00 0.00 C ATOM 1110 CZ PHE A 146 1.274 8.000 3.190 1.00 0.00 C ATOM 0 H PHE A 146 -1.241 9.843 7.375 1.00 0.00 H new ATOM 0 HA PHE A 146 -0.225 11.716 5.694 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -2.472 9.734 5.540 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -2.341 10.899 4.238 1.00 0.00 H new ATOM 0 HD1 PHE A 146 0.526 11.216 3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -1.696 7.695 4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 146 2.278 9.848 2.808 1.00 0.00 H new ATOM 0 HE2 PHE A 146 0.054 6.324 3.705 1.00 0.00 H new ATOM 0 HZ PHE A 146 2.042 7.397 2.729 1.00 0.00 H new