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 Single : A 89 GLN : amide:sc=-0.00682 X(o=-0.0068,f=0) USER MOD Single : A 92 THR OG1 : rot 96:sc= 1.28 USER MOD Single : A 94 SER OG : rot 84:sc= 0.249 USER MOD Single : A 97 MET CE :methyl 162:sc= -0.126 (180deg=-0.585) USER MOD Single : A 102 MET CE :methyl 172:sc= -1.44! (180deg=-1.49) USER MOD Single : A 107 ASN : amide:sc=-0.00555 K(o=-0.0055,f=-3.5!) USER MOD Single : A 108 THR OG1 : rot 62:sc= 1.16 USER MOD Single : A 109 SER OG : rot -93:sc= 0.755 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= -0.106 K(o=-0.11,f=-2.8!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -3.81 X(o=-3.8,f=-4.3!) USER MOD Single : A 118 GLN : amide:sc= -0.391 X(o=-0.39,f=0) USER MOD Single : A 120 SER OG : rot -59:sc= 0.813 USER MOD Single : A 121 SER OG : rot -92:sc= 0.475 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -145:sc= -0.64 (180deg=-1.92!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl 139:sc= -0.433 (180deg=-2.81!) USER MOD Single : A 135 CYS SG : rot -103:sc= 0.0222 USER MOD Single : A 136 THR OG1 : rot 76:sc= 0.0482 USER MOD Single : A 138 LYS NZ :NH3+ 148:sc=-0.00968 (180deg=-1.34!) USER MOD Single : A 141 ASN : amide:sc= -0.378 K(o=-0.38,f=-2!) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 9.208 0.063 11.029 1.00 0.00 N ATOM 109 CA TRP A 87 8.975 -0.427 9.676 1.00 0.00 C ATOM 110 C TRP A 87 9.987 0.165 8.701 1.00 0.00 C ATOM 111 O TRP A 87 10.249 1.368 8.717 1.00 0.00 O ATOM 112 CB TRP A 87 7.554 -0.085 9.224 1.00 0.00 C ATOM 113 CG TRP A 87 6.528 -1.072 9.693 1.00 0.00 C ATOM 114 CD1 TRP A 87 6.131 -1.293 10.980 1.00 0.00 C ATOM 115 CD2 TRP A 87 5.771 -1.973 8.877 1.00 0.00 C ATOM 116 NE1 TRP A 87 5.173 -2.278 11.014 1.00 0.00 N ATOM 117 CE2 TRP A 87 4.934 -2.710 9.737 1.00 0.00 C ATOM 118 CE3 TRP A 87 5.718 -2.228 7.504 1.00 0.00 C ATOM 119 CZ2 TRP A 87 4.056 -3.684 9.267 1.00 0.00 C ATOM 120 CZ3 TRP A 87 4.847 -3.195 7.039 1.00 0.00 C ATOM 121 CH2 TRP A 87 4.025 -3.912 7.918 1.00 0.00 C ATOM 0 HA TRP A 87 9.095 -1.510 9.684 1.00 0.00 H new ATOM 0 HB2 TRP A 87 7.291 0.906 9.595 1.00 0.00 H new ATOM 0 HB3 TRP A 87 7.529 -0.035 8.135 1.00 0.00 H new ATOM 0 HD1 TRP A 87 6.513 -0.771 11.845 1.00 0.00 H new ATOM 0 HE1 TRP A 87 4.714 -2.630 11.854 1.00 0.00 H new ATOM 0 HE3 TRP A 87 6.347 -1.679 6.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 3.423 -4.239 9.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 4.799 -3.401 5.980 1.00 0.00 H new ATOM 0 HH2 TRP A 87 3.353 -4.660 7.523 1.00 0.00 H new ATOM 132 N VAL A 88 10.554 -0.688 7.853 1.00 0.00 N ATOM 133 CA VAL A 88 11.537 -0.248 6.870 1.00 0.00 C ATOM 134 C VAL A 88 10.858 0.360 5.648 1.00 0.00 C ATOM 135 O VAL A 88 9.640 0.276 5.497 1.00 0.00 O ATOM 136 CB VAL A 88 12.437 -1.413 6.417 1.00 0.00 C ATOM 137 CG1 VAL A 88 13.337 -1.866 7.557 1.00 0.00 C ATOM 138 CG2 VAL A 88 11.594 -2.568 5.901 1.00 0.00 C ATOM 0 H VAL A 88 10.349 -1.687 7.827 1.00 0.00 H new ATOM 0 HA VAL A 88 12.152 0.510 7.355 1.00 0.00 H new ATOM 0 HB VAL A 88 13.071 -1.064 5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.966 -2.690 7.219 1.00 0.00 H new ATOM 0 HG12 VAL A 88 13.967 -1.035 7.875 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.724 -2.198 8.395 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.246 -3.382 5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.933 -2.919 6.694 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.997 -2.232 5.053 1.00 0.00 H new ATOM 148 N GLN A 89 11.655 0.971 4.778 1.00 0.00 N ATOM 149 CA GLN A 89 11.131 1.593 3.568 1.00 0.00 C ATOM 150 C GLN A 89 10.501 0.552 2.649 1.00 0.00 C ATOM 151 O GLN A 89 9.463 0.797 2.035 1.00 0.00 O ATOM 152 CB GLN A 89 12.243 2.338 2.828 1.00 0.00 C ATOM 153 CG GLN A 89 11.783 2.991 1.535 1.00 0.00 C ATOM 154 CD GLN A 89 12.937 3.515 0.702 1.00 0.00 C ATOM 155 OE1 GLN A 89 13.081 4.722 0.510 1.00 0.00 O ATOM 156 NE2 GLN A 89 13.767 2.606 0.203 1.00 0.00 N ATOM 0 H GLN A 89 12.666 1.049 4.888 1.00 0.00 H new ATOM 0 HA GLN A 89 10.360 2.305 3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.655 3.104 3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 89 13.050 1.640 2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.216 2.268 0.949 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.106 3.813 1.768 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.609 1.615 0.388 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.562 2.899 -0.365 1.00 0.00 H new ATOM 165 N ASP A 90 11.137 -0.611 2.559 1.00 0.00 N ATOM 166 CA ASP A 90 10.639 -1.692 1.715 1.00 0.00 C ATOM 167 C ASP A 90 9.244 -2.125 2.154 1.00 0.00 C ATOM 168 O ASP A 90 8.281 -2.007 1.398 1.00 0.00 O ATOM 169 CB ASP A 90 11.595 -2.884 1.759 1.00 0.00 C ATOM 170 CG ASP A 90 12.774 -2.717 0.820 1.00 0.00 C ATOM 171 OD1 ASP A 90 12.642 -1.968 -0.170 1.00 0.00 O ATOM 172 OD2 ASP A 90 13.828 -3.334 1.076 1.00 0.00 O ATOM 0 H ASP A 90 11.998 -0.830 3.060 1.00 0.00 H new ATOM 0 HA ASP A 90 10.579 -1.323 0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.961 -3.015 2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.051 -3.792 1.497 1.00 0.00 H new ATOM 177 N GLU A 91 9.145 -2.629 3.381 1.00 0.00 N ATOM 178 CA GLU A 91 7.868 -3.082 3.919 1.00 0.00 C ATOM 179 C GLU A 91 6.807 -1.992 3.793 1.00 0.00 C ATOM 180 O GLU A 91 5.648 -2.271 3.486 1.00 0.00 O ATOM 181 CB GLU A 91 8.024 -3.491 5.385 1.00 0.00 C ATOM 182 CG GLU A 91 8.847 -4.753 5.581 1.00 0.00 C ATOM 183 CD GLU A 91 8.606 -5.403 6.930 1.00 0.00 C ATOM 184 OE1 GLU A 91 7.433 -5.478 7.350 1.00 0.00 O ATOM 185 OE2 GLU A 91 9.591 -5.837 7.564 1.00 0.00 O ATOM 0 H GLU A 91 9.933 -2.733 4.020 1.00 0.00 H new ATOM 0 HA GLU A 91 7.545 -3.947 3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.492 -2.674 5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.035 -3.641 5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.608 -5.465 4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 91 9.905 -4.511 5.482 1.00 0.00 H new ATOM 192 N THR A 92 7.213 -0.749 4.034 1.00 0.00 N ATOM 193 CA THR A 92 6.299 0.382 3.950 1.00 0.00 C ATOM 194 C THR A 92 5.798 0.580 2.524 1.00 0.00 C ATOM 195 O THR A 92 4.603 0.464 2.254 1.00 0.00 O ATOM 196 CB THR A 92 6.969 1.683 4.432 1.00 0.00 C ATOM 197 OG1 THR A 92 7.428 1.527 5.779 1.00 0.00 O ATOM 198 CG2 THR A 92 6.000 2.853 4.353 1.00 0.00 C ATOM 0 H THR A 92 8.169 -0.501 4.289 1.00 0.00 H new ATOM 0 HA THR A 92 5.454 0.154 4.600 1.00 0.00 H new ATOM 0 HB THR A 92 7.818 1.891 3.781 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.374 1.273 5.775 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.496 3.760 4.698 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.675 2.987 3.321 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.134 2.651 4.983 1.00 0.00 H new ATOM 206 N ARG A 93 6.720 0.879 1.614 1.00 0.00 N ATOM 207 CA ARG A 93 6.371 1.093 0.215 1.00 0.00 C ATOM 208 C ARG A 93 5.563 -0.081 -0.330 1.00 0.00 C ATOM 209 O ARG A 93 4.488 0.104 -0.899 1.00 0.00 O ATOM 210 CB ARG A 93 7.636 1.289 -0.624 1.00 0.00 C ATOM 211 CG ARG A 93 7.375 1.322 -2.121 1.00 0.00 C ATOM 212 CD ARG A 93 6.843 2.676 -2.564 1.00 0.00 C ATOM 213 NE ARG A 93 6.842 2.814 -4.018 1.00 0.00 N ATOM 214 CZ ARG A 93 6.080 3.684 -4.672 1.00 0.00 C ATOM 215 NH1 ARG A 93 5.265 4.489 -4.006 1.00 0.00 N ATOM 216 NH2 ARG A 93 6.135 3.750 -5.996 1.00 0.00 N ATOM 0 H ARG A 93 7.714 0.978 1.821 1.00 0.00 H new ATOM 0 HA ARG A 93 5.759 1.993 0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.118 2.221 -0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.336 0.483 -0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.297 1.099 -2.657 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.658 0.544 -2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.829 2.808 -2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.452 3.466 -2.125 1.00 0.00 H new ATOM 0 HE ARG A 93 7.459 2.210 -4.561 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.221 4.442 -2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.681 5.156 -4.511 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.762 3.133 -6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.550 4.418 -6.498 1.00 0.00 H new ATOM 230 N SER A 94 6.090 -1.288 -0.152 1.00 0.00 N ATOM 231 CA SER A 94 5.420 -2.492 -0.630 1.00 0.00 C ATOM 232 C SER A 94 4.059 -2.658 0.039 1.00 0.00 C ATOM 233 O SER A 94 3.053 -2.909 -0.627 1.00 0.00 O ATOM 234 CB SER A 94 6.286 -3.724 -0.361 1.00 0.00 C ATOM 235 OG SER A 94 7.548 -3.609 -0.995 1.00 0.00 O ATOM 0 H SER A 94 6.978 -1.458 0.319 1.00 0.00 H new ATOM 0 HA SER A 94 5.268 -2.391 -1.705 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.425 -3.847 0.713 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.775 -4.617 -0.721 1.00 0.00 H new ATOM 0 HG SER A 94 8.153 -3.087 -0.428 1.00 0.00 H new ATOM 241 N LEU A 95 4.035 -2.517 1.360 1.00 0.00 N ATOM 242 CA LEU A 95 2.797 -2.650 2.121 1.00 0.00 C ATOM 243 C LEU A 95 1.644 -1.946 1.414 1.00 0.00 C ATOM 244 O LEU A 95 0.581 -2.531 1.204 1.00 0.00 O ATOM 245 CB LEU A 95 2.976 -2.075 3.527 1.00 0.00 C ATOM 246 CG LEU A 95 1.690 -1.794 4.305 1.00 0.00 C ATOM 247 CD1 LEU A 95 1.022 -3.095 4.722 1.00 0.00 C ATOM 248 CD2 LEU A 95 1.982 -0.929 5.523 1.00 0.00 C ATOM 0 H LEU A 95 4.858 -2.311 1.926 1.00 0.00 H new ATOM 0 HA LEU A 95 2.558 -3.711 2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.584 -2.769 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.540 -1.146 3.449 1.00 0.00 H new ATOM 0 HG LEU A 95 1.006 -1.251 3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.109 -2.874 5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.777 -3.679 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.701 -3.665 5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.056 -0.739 6.065 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.685 -1.446 6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.415 0.018 5.201 1.00 0.00 H new ATOM 260 N ILE A 96 1.862 -0.687 1.047 1.00 0.00 N ATOM 261 CA ILE A 96 0.842 0.095 0.360 1.00 0.00 C ATOM 262 C ILE A 96 0.478 -0.532 -0.981 1.00 0.00 C ATOM 263 O ILE A 96 -0.674 -0.893 -1.217 1.00 0.00 O ATOM 264 CB ILE A 96 1.307 1.545 0.127 1.00 0.00 C ATOM 265 CG1 ILE A 96 1.719 2.191 1.452 1.00 0.00 C ATOM 266 CG2 ILE A 96 0.206 2.353 -0.542 1.00 0.00 C ATOM 267 CD1 ILE A 96 2.535 3.453 1.281 1.00 0.00 C ATOM 0 H ILE A 96 2.735 -0.188 1.214 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.037 0.103 1.005 1.00 0.00 H new ATOM 0 HB ILE A 96 2.174 1.531 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.823 2.423 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.295 1.472 2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.550 3.375 -0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -0.044 1.902 -1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.678 2.362 0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.791 3.856 2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.449 3.224 0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.954 4.190 0.726 1.00 0.00 H new ATOM 279 N MET A 97 1.470 -0.660 -1.857 1.00 0.00 N ATOM 280 CA MET A 97 1.255 -1.247 -3.174 1.00 0.00 C ATOM 281 C MET A 97 0.244 -2.387 -3.103 1.00 0.00 C ATOM 282 O MET A 97 -0.754 -2.391 -3.825 1.00 0.00 O ATOM 283 CB MET A 97 2.577 -1.757 -3.751 1.00 0.00 C ATOM 284 CG MET A 97 2.593 -1.821 -5.269 1.00 0.00 C ATOM 285 SD MET A 97 4.195 -2.322 -5.926 1.00 0.00 S ATOM 286 CE MET A 97 4.378 -3.939 -5.176 1.00 0.00 C ATOM 0 H MET A 97 2.430 -0.365 -1.678 1.00 0.00 H new ATOM 0 HA MET A 97 0.856 -0.472 -3.829 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.385 -1.108 -3.414 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.779 -2.751 -3.351 1.00 0.00 H new ATOM 0 HG2 MET A 97 1.830 -2.523 -5.607 1.00 0.00 H new ATOM 0 HG3 MET A 97 2.329 -0.844 -5.673 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.136 -4.506 -5.715 1.00 0.00 H new ATOM 0 HE2 MET A 97 4.682 -3.825 -4.135 1.00 0.00 H new ATOM 0 HE3 MET A 97 3.427 -4.470 -5.220 1.00 0.00 H new ATOM 296 N PHE A 98 0.508 -3.352 -2.229 1.00 0.00 N ATOM 297 CA PHE A 98 -0.379 -4.498 -2.064 1.00 0.00 C ATOM 298 C PHE A 98 -1.774 -4.050 -1.640 1.00 0.00 C ATOM 299 O PHE A 98 -2.769 -4.393 -2.279 1.00 0.00 O ATOM 300 CB PHE A 98 0.194 -5.469 -1.030 1.00 0.00 C ATOM 301 CG PHE A 98 1.618 -5.864 -1.301 1.00 0.00 C ATOM 302 CD1 PHE A 98 2.006 -6.278 -2.565 1.00 0.00 C ATOM 303 CD2 PHE A 98 2.567 -5.819 -0.294 1.00 0.00 C ATOM 304 CE1 PHE A 98 3.315 -6.643 -2.818 1.00 0.00 C ATOM 305 CE2 PHE A 98 3.878 -6.182 -0.540 1.00 0.00 C ATOM 306 CZ PHE A 98 4.253 -6.594 -1.804 1.00 0.00 C ATOM 0 H PHE A 98 1.329 -3.364 -1.624 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.457 -5.006 -3.025 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.134 -5.012 -0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.425 -6.366 -1.004 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.278 -6.316 -3.361 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.280 -5.496 0.696 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.605 -6.966 -3.807 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.608 -6.144 0.255 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.277 -6.877 -1.999 1.00 0.00 H new ATOM 316 N ARG A 99 -1.839 -3.282 -0.558 1.00 0.00 N ATOM 317 CA ARG A 99 -3.111 -2.788 -0.046 1.00 0.00 C ATOM 318 C ARG A 99 -3.844 -1.972 -1.107 1.00 0.00 C ATOM 319 O ARG A 99 -4.898 -2.378 -1.598 1.00 0.00 O ATOM 320 CB ARG A 99 -2.886 -1.934 1.203 1.00 0.00 C ATOM 321 CG ARG A 99 -4.165 -1.349 1.780 1.00 0.00 C ATOM 322 CD ARG A 99 -5.120 -2.441 2.237 1.00 0.00 C ATOM 323 NE ARG A 99 -6.418 -1.902 2.634 1.00 0.00 N ATOM 324 CZ ARG A 99 -6.609 -1.177 3.730 1.00 0.00 C ATOM 325 NH1 ARG A 99 -5.591 -0.905 4.535 1.00 0.00 N ATOM 326 NH2 ARG A 99 -7.820 -0.722 4.024 1.00 0.00 N ATOM 0 H ARG A 99 -1.025 -2.988 -0.018 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.727 -3.648 0.216 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -2.398 -2.542 1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -2.203 -1.121 0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -3.922 -0.700 2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.653 -0.728 1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.258 -3.162 1.432 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -4.680 -2.980 3.076 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.222 -2.093 2.036 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -4.658 -1.253 4.313 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.741 -0.348 5.376 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.606 -0.929 3.408 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.965 -0.165 4.866 1.00 0.00 H new ATOM 340 N ARG A 100 -3.279 -0.821 -1.457 1.00 0.00 N ATOM 341 CA ARG A 100 -3.879 0.051 -2.458 1.00 0.00 C ATOM 342 C ARG A 100 -4.461 -0.763 -3.610 1.00 0.00 C ATOM 343 O ARG A 100 -5.496 -0.408 -4.174 1.00 0.00 O ATOM 344 CB ARG A 100 -2.841 1.040 -2.992 1.00 0.00 C ATOM 345 CG ARG A 100 -1.885 0.432 -4.005 1.00 0.00 C ATOM 346 CD ARG A 100 -1.097 1.504 -4.741 1.00 0.00 C ATOM 347 NE ARG A 100 0.075 1.938 -3.986 1.00 0.00 N ATOM 348 CZ ARG A 100 0.903 2.891 -4.398 1.00 0.00 C ATOM 349 NH1 ARG A 100 0.689 3.507 -5.552 1.00 0.00 N ATOM 350 NH2 ARG A 100 1.949 3.230 -3.654 1.00 0.00 N ATOM 0 H ARG A 100 -2.406 -0.471 -1.062 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.688 0.605 -1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.357 1.882 -3.452 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.266 1.437 -2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -1.196 -0.243 -3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.446 -0.166 -4.723 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.781 1.120 -5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.743 2.361 -4.932 1.00 0.00 H new ATOM 0 HE ARG A 100 0.268 1.484 -3.093 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.114 3.249 -6.126 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.327 4.239 -5.866 1.00 0.00 H new ATOM 0 HH21 ARG A 100 2.117 2.758 -2.765 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.585 3.962 -3.971 1.00 0.00 H new ATOM 364 N GLY A 101 -3.788 -1.856 -3.955 1.00 0.00 N ATOM 365 CA GLY A 101 -4.253 -2.703 -5.038 1.00 0.00 C ATOM 366 C GLY A 101 -5.527 -3.446 -4.687 1.00 0.00 C ATOM 367 O GLY A 101 -6.483 -3.451 -5.462 1.00 0.00 O ATOM 0 H GLY A 101 -2.929 -2.170 -3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.425 -2.093 -5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.475 -3.423 -5.292 1.00 0.00 H new ATOM 371 N MET A 102 -5.539 -4.076 -3.518 1.00 0.00 N ATOM 372 CA MET A 102 -6.706 -4.826 -3.066 1.00 0.00 C ATOM 373 C MET A 102 -7.683 -3.918 -2.327 1.00 0.00 C ATOM 374 O MET A 102 -8.666 -4.387 -1.752 1.00 0.00 O ATOM 375 CB MET A 102 -6.276 -5.980 -2.158 1.00 0.00 C ATOM 376 CG MET A 102 -5.990 -7.270 -2.909 1.00 0.00 C ATOM 377 SD MET A 102 -5.037 -8.447 -1.930 1.00 0.00 S ATOM 378 CE MET A 102 -6.024 -8.522 -0.437 1.00 0.00 C ATOM 0 H MET A 102 -4.755 -4.083 -2.866 1.00 0.00 H new ATOM 0 HA MET A 102 -7.209 -5.232 -3.944 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.383 -5.685 -1.607 1.00 0.00 H new ATOM 0 HB3 MET A 102 -7.059 -6.164 -1.422 1.00 0.00 H new ATOM 0 HG2 MET A 102 -6.933 -7.730 -3.206 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.445 -7.040 -3.825 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.645 -9.313 0.210 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.967 -7.567 0.085 1.00 0.00 H new ATOM 0 HE3 MET A 102 -7.062 -8.732 -0.697 1.00 0.00 H new ATOM 388 N ASP A 103 -7.407 -2.619 -2.346 1.00 0.00 N ATOM 389 CA ASP A 103 -8.263 -1.646 -1.678 1.00 0.00 C ATOM 390 C ASP A 103 -9.732 -1.904 -1.998 1.00 0.00 C ATOM 391 O ASP A 103 -10.587 -1.860 -1.114 1.00 0.00 O ATOM 392 CB ASP A 103 -7.880 -0.225 -2.097 1.00 0.00 C ATOM 393 CG ASP A 103 -8.809 0.821 -1.513 1.00 0.00 C ATOM 394 OD1 ASP A 103 -8.977 0.840 -0.276 1.00 0.00 O ATOM 395 OD2 ASP A 103 -9.368 1.620 -2.293 1.00 0.00 O ATOM 0 H ASP A 103 -6.597 -2.215 -2.817 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.120 -1.751 -0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.858 -0.018 -1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.895 -0.154 -3.185 1.00 0.00 H new ATOM 400 N GLY A 104 -10.018 -2.174 -3.268 1.00 0.00 N ATOM 401 CA GLY A 104 -11.385 -2.435 -3.682 1.00 0.00 C ATOM 402 C GLY A 104 -12.090 -3.417 -2.767 1.00 0.00 C ATOM 403 O GLY A 104 -13.052 -3.061 -2.086 1.00 0.00 O ATOM 0 H GLY A 104 -9.328 -2.217 -4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.941 -1.498 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.385 -2.827 -4.699 1.00 0.00 H new ATOM 407 N LEU A 105 -11.613 -4.657 -2.752 1.00 0.00 N ATOM 408 CA LEU A 105 -12.205 -5.694 -1.915 1.00 0.00 C ATOM 409 C LEU A 105 -12.544 -5.150 -0.531 1.00 0.00 C ATOM 410 O LEU A 105 -13.679 -5.264 -0.069 1.00 0.00 O ATOM 411 CB LEU A 105 -11.249 -6.882 -1.789 1.00 0.00 C ATOM 412 CG LEU A 105 -11.165 -7.808 -3.003 1.00 0.00 C ATOM 413 CD1 LEU A 105 -9.903 -8.655 -2.942 1.00 0.00 C ATOM 414 CD2 LEU A 105 -12.400 -8.693 -3.086 1.00 0.00 C ATOM 0 H LEU A 105 -10.818 -4.968 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.128 -6.027 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -10.250 -6.498 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.550 -7.475 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 105 -11.122 -7.193 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.860 -9.308 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.028 -8.005 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.915 -9.261 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.323 -9.345 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.474 -9.299 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.289 -8.069 -3.178 1.00 0.00 H new ATOM 426 N PHE A 106 -11.552 -4.557 0.125 1.00 0.00 N ATOM 427 CA PHE A 106 -11.745 -3.993 1.456 1.00 0.00 C ATOM 428 C PHE A 106 -13.038 -3.186 1.522 1.00 0.00 C ATOM 429 O PHE A 106 -13.832 -3.340 2.449 1.00 0.00 O ATOM 430 CB PHE A 106 -10.557 -3.107 1.835 1.00 0.00 C ATOM 431 CG PHE A 106 -9.416 -3.865 2.449 1.00 0.00 C ATOM 432 CD1 PHE A 106 -8.643 -4.722 1.682 1.00 0.00 C ATOM 433 CD2 PHE A 106 -9.115 -3.721 3.794 1.00 0.00 C ATOM 434 CE1 PHE A 106 -7.592 -5.422 2.245 1.00 0.00 C ATOM 435 CE2 PHE A 106 -8.065 -4.418 4.363 1.00 0.00 C ATOM 436 CZ PHE A 106 -7.302 -5.268 3.587 1.00 0.00 C ATOM 0 H PHE A 106 -10.606 -4.455 -0.243 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.815 -4.817 2.166 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.201 -2.589 0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.893 -2.342 2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.864 -4.845 0.632 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.708 -3.056 4.405 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.999 -6.088 1.637 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -7.842 -4.298 5.413 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.480 -5.812 4.028 1.00 0.00 H new ATOM 446 N ASN A 107 -13.242 -2.323 0.531 1.00 0.00 N ATOM 447 CA ASN A 107 -14.437 -1.490 0.477 1.00 0.00 C ATOM 448 C ASN A 107 -15.677 -2.292 0.859 1.00 0.00 C ATOM 449 O ASN A 107 -16.349 -1.987 1.845 1.00 0.00 O ATOM 450 CB ASN A 107 -14.610 -0.900 -0.924 1.00 0.00 C ATOM 451 CG ASN A 107 -15.772 0.071 -1.004 1.00 0.00 C ATOM 452 OD1 ASN A 107 -16.904 -0.321 -1.287 1.00 0.00 O ATOM 453 ND2 ASN A 107 -15.495 1.346 -0.755 1.00 0.00 N ATOM 0 H ASN A 107 -12.595 -2.183 -0.245 1.00 0.00 H new ATOM 0 HA ASN A 107 -14.316 -0.678 1.194 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -13.692 -0.389 -1.216 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -14.766 -1.708 -1.639 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -16.236 2.046 -0.794 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -14.541 1.625 -0.524 1.00 0.00 H new ATOM 460 N THR A 108 -15.976 -3.321 0.072 1.00 0.00 N ATOM 461 CA THR A 108 -17.135 -4.167 0.326 1.00 0.00 C ATOM 462 C THR A 108 -16.728 -5.463 1.019 1.00 0.00 C ATOM 463 O THR A 108 -16.544 -6.493 0.370 1.00 0.00 O ATOM 464 CB THR A 108 -17.880 -4.507 -0.978 1.00 0.00 C ATOM 465 OG1 THR A 108 -17.091 -5.398 -1.775 1.00 0.00 O ATOM 466 CG2 THR A 108 -18.186 -3.246 -1.771 1.00 0.00 C ATOM 0 H THR A 108 -15.431 -3.588 -0.747 1.00 0.00 H new ATOM 0 HA THR A 108 -17.801 -3.603 0.979 1.00 0.00 H new ATOM 0 HB THR A 108 -18.821 -4.990 -0.717 1.00 0.00 H new ATOM 0 HG1 THR A 108 -16.952 -6.237 -1.288 1.00 0.00 H new ATOM 0 HG21 THR A 108 -18.712 -3.511 -2.688 1.00 0.00 H new ATOM 0 HG22 THR A 108 -18.811 -2.583 -1.173 1.00 0.00 H new ATOM 0 HG23 THR A 108 -17.254 -2.739 -2.022 1.00 0.00 H new ATOM 474 N SER A 109 -16.590 -5.405 2.339 1.00 0.00 N ATOM 475 CA SER A 109 -16.202 -6.574 3.119 1.00 0.00 C ATOM 476 C SER A 109 -16.469 -6.349 4.605 1.00 0.00 C ATOM 477 O SER A 109 -15.826 -5.516 5.244 1.00 0.00 O ATOM 478 CB SER A 109 -14.722 -6.892 2.898 1.00 0.00 C ATOM 479 OG SER A 109 -14.380 -8.146 3.463 1.00 0.00 O ATOM 0 H SER A 109 -16.741 -4.561 2.891 1.00 0.00 H new ATOM 0 HA SER A 109 -16.802 -7.420 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.504 -6.899 1.830 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.108 -6.109 3.344 1.00 0.00 H new ATOM 0 HG SER A 109 -14.045 -8.014 4.375 1.00 0.00 H new ATOM 485 N LYS A 110 -17.423 -7.098 5.148 1.00 0.00 N ATOM 486 CA LYS A 110 -17.776 -6.984 6.557 1.00 0.00 C ATOM 487 C LYS A 110 -16.535 -7.073 7.439 1.00 0.00 C ATOM 488 O LYS A 110 -16.311 -6.223 8.301 1.00 0.00 O ATOM 489 CB LYS A 110 -18.771 -8.080 6.946 1.00 0.00 C ATOM 490 CG LYS A 110 -20.064 -8.038 6.149 1.00 0.00 C ATOM 491 CD LYS A 110 -21.233 -8.579 6.955 1.00 0.00 C ATOM 492 CE LYS A 110 -22.551 -8.395 6.218 1.00 0.00 C ATOM 493 NZ LYS A 110 -23.101 -7.023 6.401 1.00 0.00 N ATOM 0 H LYS A 110 -17.966 -7.791 4.632 1.00 0.00 H new ATOM 0 HA LYS A 110 -18.240 -6.010 6.711 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -18.300 -9.053 6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -19.004 -7.987 8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -20.273 -7.012 5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -19.949 -8.622 5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -21.075 -9.638 7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -21.279 -8.070 7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -22.403 -8.588 5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -23.274 -9.127 6.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -23.999 -6.937 5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -23.266 -6.847 7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -22.422 -6.325 6.034 1.00 0.00 H new ATOM 507 N SER A 111 -15.730 -8.107 7.216 1.00 0.00 N ATOM 508 CA SER A 111 -14.512 -8.309 7.992 1.00 0.00 C ATOM 509 C SER A 111 -13.284 -8.300 7.088 1.00 0.00 C ATOM 510 O SER A 111 -13.322 -8.804 5.966 1.00 0.00 O ATOM 511 CB SER A 111 -14.584 -9.630 8.760 1.00 0.00 C ATOM 512 OG SER A 111 -15.623 -9.604 9.724 1.00 0.00 O ATOM 0 H SER A 111 -15.899 -8.818 6.504 1.00 0.00 H new ATOM 0 HA SER A 111 -14.424 -7.488 8.703 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.751 -10.451 8.063 1.00 0.00 H new ATOM 0 HB3 SER A 111 -13.631 -9.820 9.253 1.00 0.00 H new ATOM 0 HG SER A 111 -15.649 -10.460 10.200 1.00 0.00 H new ATOM 518 N ASN A 112 -12.195 -7.722 7.585 1.00 0.00 N ATOM 519 CA ASN A 112 -10.954 -7.646 6.822 1.00 0.00 C ATOM 520 C ASN A 112 -9.913 -8.612 7.379 1.00 0.00 C ATOM 521 O ASN A 112 -8.721 -8.491 7.093 1.00 0.00 O ATOM 522 CB ASN A 112 -10.405 -6.218 6.844 1.00 0.00 C ATOM 523 CG ASN A 112 -10.513 -5.577 8.214 1.00 0.00 C ATOM 524 OD1 ASN A 112 -10.396 -6.252 9.238 1.00 0.00 O ATOM 525 ND2 ASN A 112 -10.738 -4.269 8.240 1.00 0.00 N ATOM 0 H ASN A 112 -12.147 -7.300 8.512 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.171 -7.929 5.792 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -9.361 -6.229 6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -10.948 -5.612 6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -10.821 -3.783 9.133 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -10.828 -3.750 7.367 1.00 0.00 H new ATOM 532 N LYS A 113 -10.371 -9.572 8.175 1.00 0.00 N ATOM 533 CA LYS A 113 -9.481 -10.561 8.772 1.00 0.00 C ATOM 534 C LYS A 113 -8.762 -11.366 7.694 1.00 0.00 C ATOM 535 O LYS A 113 -7.533 -11.438 7.675 1.00 0.00 O ATOM 536 CB LYS A 113 -10.270 -11.501 9.686 1.00 0.00 C ATOM 537 CG LYS A 113 -9.430 -12.620 10.277 1.00 0.00 C ATOM 538 CD LYS A 113 -8.553 -12.119 11.413 1.00 0.00 C ATOM 539 CE LYS A 113 -7.193 -11.664 10.907 1.00 0.00 C ATOM 540 NZ LYS A 113 -6.625 -10.573 11.747 1.00 0.00 N ATOM 0 H LYS A 113 -11.354 -9.686 8.422 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.734 -10.032 9.364 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -10.710 -10.921 10.497 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.095 -11.936 9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -10.083 -13.412 10.643 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -8.804 -13.057 9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -9.049 -11.291 11.920 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -8.422 -12.911 12.150 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.507 -12.511 10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -7.286 -11.319 9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -5.698 -10.291 11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -7.267 -9.755 11.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.513 -10.910 12.724 1.00 0.00 H new ATOM 554 N HIS A 114 -9.536 -11.970 6.798 1.00 0.00 N ATOM 555 CA HIS A 114 -8.972 -12.769 5.716 1.00 0.00 C ATOM 556 C HIS A 114 -8.096 -11.911 4.807 1.00 0.00 C ATOM 557 O HIS A 114 -6.946 -12.254 4.532 1.00 0.00 O ATOM 558 CB HIS A 114 -10.089 -13.420 4.899 1.00 0.00 C ATOM 559 CG HIS A 114 -11.055 -12.437 4.314 1.00 0.00 C ATOM 560 ND1 HIS A 114 -12.122 -11.920 5.018 1.00 0.00 N ATOM 561 CD2 HIS A 114 -11.110 -11.875 3.084 1.00 0.00 C ATOM 562 CE1 HIS A 114 -12.793 -11.084 4.245 1.00 0.00 C ATOM 563 NE2 HIS A 114 -12.198 -11.038 3.067 1.00 0.00 N ATOM 0 H HIS A 114 -10.555 -11.921 6.800 1.00 0.00 H new ATOM 0 HA HIS A 114 -8.353 -13.549 6.158 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.645 -14.004 4.093 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.634 -14.117 5.535 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -10.425 -12.052 2.268 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -13.677 -10.532 4.528 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -12.498 -10.472 2.273 1.00 0.00 H new ATOM 571 N LEU A 115 -8.648 -10.795 4.344 1.00 0.00 N ATOM 572 CA LEU A 115 -7.917 -9.888 3.466 1.00 0.00 C ATOM 573 C LEU A 115 -6.549 -9.549 4.049 1.00 0.00 C ATOM 574 O LEU A 115 -5.520 -10.003 3.550 1.00 0.00 O ATOM 575 CB LEU A 115 -8.721 -8.606 3.241 1.00 0.00 C ATOM 576 CG LEU A 115 -9.836 -8.686 2.198 1.00 0.00 C ATOM 577 CD1 LEU A 115 -10.553 -7.350 2.080 1.00 0.00 C ATOM 578 CD2 LEU A 115 -9.275 -9.114 0.850 1.00 0.00 C ATOM 0 H LEU A 115 -9.599 -10.497 4.562 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.769 -10.389 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.161 -8.306 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.031 -7.816 2.946 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.558 -9.435 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.343 -7.426 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.988 -7.084 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -9.842 -6.581 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.083 -9.166 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.532 -8.389 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.808 -10.094 0.945 1.00 0.00 H new ATOM 590 N TRP A 116 -6.546 -8.750 5.110 1.00 0.00 N ATOM 591 CA TRP A 116 -5.305 -8.352 5.764 1.00 0.00 C ATOM 592 C TRP A 116 -4.303 -9.501 5.774 1.00 0.00 C ATOM 593 O TRP A 116 -3.148 -9.332 5.384 1.00 0.00 O ATOM 594 CB TRP A 116 -5.583 -7.888 7.194 1.00 0.00 C ATOM 595 CG TRP A 116 -6.010 -6.454 7.282 1.00 0.00 C ATOM 596 CD1 TRP A 116 -7.214 -5.983 7.723 1.00 0.00 C ATOM 597 CD2 TRP A 116 -5.237 -5.306 6.917 1.00 0.00 C ATOM 598 NE1 TRP A 116 -7.235 -4.610 7.654 1.00 0.00 N ATOM 599 CE2 TRP A 116 -6.034 -4.171 7.164 1.00 0.00 C ATOM 600 CE3 TRP A 116 -3.948 -5.126 6.408 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -5.583 -2.877 6.917 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -3.502 -3.841 6.163 1.00 0.00 C ATOM 603 CH2 TRP A 116 -4.317 -2.730 6.419 1.00 0.00 C ATOM 0 H TRP A 116 -7.389 -8.365 5.536 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.875 -7.525 5.199 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -6.360 -8.518 7.628 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.685 -8.030 7.795 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -8.029 -6.598 8.074 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -8.018 -4.015 7.924 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -3.312 -5.976 6.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.210 -2.020 7.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -2.508 -3.690 5.767 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -3.938 -1.738 6.219 1.00 0.00 H new ATOM 614 N GLU A 117 -4.752 -10.668 6.224 1.00 0.00 N ATOM 615 CA GLU A 117 -3.893 -11.845 6.285 1.00 0.00 C ATOM 616 C GLU A 117 -3.266 -12.132 4.923 1.00 0.00 C ATOM 617 O GLU A 117 -2.048 -12.254 4.803 1.00 0.00 O ATOM 618 CB GLU A 117 -4.689 -13.062 6.759 1.00 0.00 C ATOM 619 CG GLU A 117 -4.914 -13.094 8.262 1.00 0.00 C ATOM 620 CD GLU A 117 -3.763 -13.740 9.010 1.00 0.00 C ATOM 621 OE1 GLU A 117 -2.598 -13.472 8.652 1.00 0.00 O ATOM 622 OE2 GLU A 117 -4.030 -14.513 9.954 1.00 0.00 O ATOM 0 H GLU A 117 -5.705 -10.824 6.552 1.00 0.00 H new ATOM 0 HA GLU A 117 -3.094 -11.643 6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -5.655 -13.072 6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -4.163 -13.969 6.459 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -5.054 -12.076 8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -5.833 -13.639 8.477 1.00 0.00 H new ATOM 629 N GLN A 118 -4.110 -12.240 3.902 1.00 0.00 N ATOM 630 CA GLN A 118 -3.639 -12.515 2.549 1.00 0.00 C ATOM 631 C GLN A 118 -2.476 -11.600 2.181 1.00 0.00 C ATOM 632 O GLN A 118 -1.487 -12.042 1.596 1.00 0.00 O ATOM 633 CB GLN A 118 -4.779 -12.340 1.544 1.00 0.00 C ATOM 634 CG GLN A 118 -5.832 -13.433 1.622 1.00 0.00 C ATOM 635 CD GLN A 118 -6.768 -13.428 0.430 1.00 0.00 C ATOM 636 OE1 GLN A 118 -6.613 -14.220 -0.500 1.00 0.00 O ATOM 637 NE2 GLN A 118 -7.749 -12.532 0.451 1.00 0.00 N ATOM 0 H GLN A 118 -5.122 -12.142 3.985 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.290 -13.547 2.516 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -5.256 -11.375 1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.364 -12.318 0.536 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -5.339 -14.403 1.688 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -6.413 -13.308 2.536 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.841 -11.895 1.242 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.410 -12.482 -0.324 1.00 0.00 H new ATOM 646 N ILE A 119 -2.601 -10.323 2.527 1.00 0.00 N ATOM 647 CA ILE A 119 -1.560 -9.347 2.234 1.00 0.00 C ATOM 648 C ILE A 119 -0.278 -9.664 2.996 1.00 0.00 C ATOM 649 O ILE A 119 0.762 -9.937 2.396 1.00 0.00 O ATOM 650 CB ILE A 119 -2.013 -7.918 2.586 1.00 0.00 C ATOM 651 CG1 ILE A 119 -3.266 -7.545 1.791 1.00 0.00 C ATOM 652 CG2 ILE A 119 -0.892 -6.925 2.315 1.00 0.00 C ATOM 653 CD1 ILE A 119 -3.985 -6.329 2.331 1.00 0.00 C ATOM 0 H ILE A 119 -3.414 -9.941 3.011 1.00 0.00 H new ATOM 0 HA ILE A 119 -1.366 -9.405 1.163 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.256 -7.882 3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.987 -7.361 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -3.952 -8.392 1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.227 -5.919 2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -0.024 -7.182 2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.621 -6.962 1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.863 -6.124 1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -4.296 -6.517 3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.315 -5.469 2.305 1.00 0.00 H new ATOM 665 N SER A 120 -0.360 -9.629 4.322 1.00 0.00 N ATOM 666 CA SER A 120 0.794 -9.911 5.167 1.00 0.00 C ATOM 667 C SER A 120 1.632 -11.045 4.582 1.00 0.00 C ATOM 668 O SER A 120 2.852 -11.074 4.738 1.00 0.00 O ATOM 669 CB SER A 120 0.340 -10.275 6.582 1.00 0.00 C ATOM 670 OG SER A 120 0.048 -11.658 6.685 1.00 0.00 O ATOM 0 H SER A 120 -1.214 -9.408 4.834 1.00 0.00 H new ATOM 0 HA SER A 120 1.410 -9.012 5.210 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.120 -10.011 7.296 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.544 -9.693 6.845 1.00 0.00 H new ATOM 0 HG SER A 120 -0.654 -11.893 6.043 1.00 0.00 H new ATOM 676 N SER A 121 0.965 -11.978 3.909 1.00 0.00 N ATOM 677 CA SER A 121 1.646 -13.116 3.304 1.00 0.00 C ATOM 678 C SER A 121 2.389 -12.696 2.039 1.00 0.00 C ATOM 679 O SER A 121 3.582 -12.958 1.889 1.00 0.00 O ATOM 680 CB SER A 121 0.642 -14.222 2.975 1.00 0.00 C ATOM 681 OG SER A 121 0.070 -14.028 1.693 1.00 0.00 O ATOM 0 H SER A 121 -0.045 -11.968 3.769 1.00 0.00 H new ATOM 0 HA SER A 121 2.373 -13.496 4.022 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.139 -15.191 3.012 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.145 -14.239 3.729 1.00 0.00 H new ATOM 0 HG SER A 121 -0.755 -13.506 1.778 1.00 0.00 H new ATOM 687 N LYS A 122 1.673 -12.041 1.131 1.00 0.00 N ATOM 688 CA LYS A 122 2.262 -11.582 -0.122 1.00 0.00 C ATOM 689 C LYS A 122 3.443 -10.654 0.140 1.00 0.00 C ATOM 690 O LYS A 122 4.507 -10.803 -0.461 1.00 0.00 O ATOM 691 CB LYS A 122 1.211 -10.860 -0.968 1.00 0.00 C ATOM 692 CG LYS A 122 0.104 -11.771 -1.470 1.00 0.00 C ATOM 693 CD LYS A 122 -0.757 -11.080 -2.515 1.00 0.00 C ATOM 694 CE LYS A 122 -0.108 -11.125 -3.890 1.00 0.00 C ATOM 695 NZ LYS A 122 -0.880 -10.342 -4.893 1.00 0.00 N ATOM 0 H LYS A 122 0.684 -11.816 1.239 1.00 0.00 H new ATOM 0 HA LYS A 122 2.622 -12.455 -0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 122 0.770 -10.057 -0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.702 -10.394 -1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.540 -12.674 -1.896 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.520 -12.083 -0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.735 -11.560 -2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.923 -10.043 -2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.907 -10.732 -3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.029 -12.161 -4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.405 -10.398 -5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.841 -10.732 -4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.934 -9.348 -4.591 1.00 0.00 H new ATOM 709 N MET A 123 3.250 -9.697 1.042 1.00 0.00 N ATOM 710 CA MET A 123 4.302 -8.747 1.385 1.00 0.00 C ATOM 711 C MET A 123 5.440 -9.440 2.125 1.00 0.00 C ATOM 712 O MET A 123 6.595 -9.022 2.039 1.00 0.00 O ATOM 713 CB MET A 123 3.735 -7.613 2.242 1.00 0.00 C ATOM 714 CG MET A 123 3.130 -8.088 3.554 1.00 0.00 C ATOM 715 SD MET A 123 3.268 -6.860 4.867 1.00 0.00 S ATOM 716 CE MET A 123 5.035 -6.564 4.869 1.00 0.00 C ATOM 0 H MET A 123 2.375 -9.559 1.548 1.00 0.00 H new ATOM 0 HA MET A 123 4.697 -8.330 0.459 1.00 0.00 H new ATOM 0 HB2 MET A 123 4.529 -6.898 2.455 1.00 0.00 H new ATOM 0 HB3 MET A 123 2.973 -7.083 1.671 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.079 -8.331 3.398 1.00 0.00 H new ATOM 0 HG3 MET A 123 3.626 -9.006 3.867 1.00 0.00 H new ATOM 0 HE1 MET A 123 5.372 -6.378 5.889 1.00 0.00 H new ATOM 0 HE2 MET A 123 5.551 -7.438 4.470 1.00 0.00 H new ATOM 0 HE3 MET A 123 5.259 -5.696 4.249 1.00 0.00 H new ATOM 726 N ARG A 124 5.107 -10.501 2.854 1.00 0.00 N ATOM 727 CA ARG A 124 6.102 -11.250 3.611 1.00 0.00 C ATOM 728 C ARG A 124 6.992 -12.068 2.679 1.00 0.00 C ATOM 729 O ARG A 124 8.184 -12.235 2.933 1.00 0.00 O ATOM 730 CB ARG A 124 5.417 -12.174 4.619 1.00 0.00 C ATOM 731 CG ARG A 124 6.367 -13.149 5.296 1.00 0.00 C ATOM 732 CD ARG A 124 5.649 -14.418 5.728 1.00 0.00 C ATOM 733 NE ARG A 124 4.699 -14.168 6.809 1.00 0.00 N ATOM 734 CZ ARG A 124 3.728 -15.010 7.144 1.00 0.00 C ATOM 735 NH1 ARG A 124 3.581 -16.152 6.486 1.00 0.00 N ATOM 736 NH2 ARG A 124 2.903 -14.712 8.139 1.00 0.00 N ATOM 0 H ARG A 124 4.156 -10.861 2.936 1.00 0.00 H new ATOM 0 HA ARG A 124 6.726 -10.536 4.148 1.00 0.00 H new ATOM 0 HB2 ARG A 124 4.929 -11.567 5.381 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.635 -12.737 4.110 1.00 0.00 H new ATOM 0 HG2 ARG A 124 7.177 -13.403 4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 124 6.821 -12.673 6.165 1.00 0.00 H new ATOM 0 HD2 ARG A 124 5.123 -14.845 4.874 1.00 0.00 H new ATOM 0 HD3 ARG A 124 6.382 -15.157 6.053 1.00 0.00 H new ATOM 0 HE ARG A 124 4.786 -13.299 7.336 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.214 -16.385 5.721 1.00 0.00 H new ATOM 0 HH12 ARG A 124 2.835 -16.797 6.745 1.00 0.00 H new ATOM 0 HH21 ARG A 124 3.014 -13.835 8.648 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.158 -15.360 8.395 1.00 0.00 H new ATOM 750 N GLU A 125 6.403 -12.574 1.600 1.00 0.00 N ATOM 751 CA GLU A 125 7.143 -13.375 0.632 1.00 0.00 C ATOM 752 C GLU A 125 8.451 -12.691 0.246 1.00 0.00 C ATOM 753 O GLU A 125 9.503 -13.328 0.179 1.00 0.00 O ATOM 754 CB GLU A 125 6.294 -13.617 -0.618 1.00 0.00 C ATOM 755 CG GLU A 125 5.290 -14.747 -0.463 1.00 0.00 C ATOM 756 CD GLU A 125 5.909 -16.000 0.125 1.00 0.00 C ATOM 757 OE1 GLU A 125 6.630 -16.707 -0.610 1.00 0.00 O ATOM 758 OE2 GLU A 125 5.672 -16.274 1.320 1.00 0.00 O ATOM 0 H GLU A 125 5.417 -12.444 1.374 1.00 0.00 H new ATOM 0 HA GLU A 125 7.377 -14.333 1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.760 -12.700 -0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 125 6.953 -13.841 -1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 125 4.472 -14.416 0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 125 4.859 -14.981 -1.436 1.00 0.00 H new ATOM 765 N LYS A 126 8.379 -11.388 -0.006 1.00 0.00 N ATOM 766 CA LYS A 126 9.556 -10.615 -0.385 1.00 0.00 C ATOM 767 C LYS A 126 10.738 -10.945 0.521 1.00 0.00 C ATOM 768 O LYS A 126 11.889 -10.927 0.087 1.00 0.00 O ATOM 769 CB LYS A 126 9.251 -9.117 -0.318 1.00 0.00 C ATOM 770 CG LYS A 126 8.070 -8.698 -1.176 1.00 0.00 C ATOM 771 CD LYS A 126 8.457 -8.586 -2.641 1.00 0.00 C ATOM 772 CE LYS A 126 9.147 -7.262 -2.935 1.00 0.00 C ATOM 773 NZ LYS A 126 8.921 -6.819 -4.339 1.00 0.00 N ATOM 0 H LYS A 126 7.517 -10.845 0.046 1.00 0.00 H new ATOM 0 HA LYS A 126 9.820 -10.880 -1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 126 9.053 -8.841 0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 126 10.134 -8.561 -0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.264 -9.423 -1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.686 -7.740 -0.826 1.00 0.00 H new ATOM 0 HD2 LYS A 126 9.119 -9.410 -2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 126 7.566 -8.679 -3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 126 8.777 -6.500 -2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 126 10.217 -7.362 -2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 9.407 -5.914 -4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 9.297 -7.535 -4.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.901 -6.699 -4.505 1.00 0.00 H new ATOM 787 N GLY A 127 10.445 -11.248 1.782 1.00 0.00 N ATOM 788 CA GLY A 127 11.494 -11.580 2.728 1.00 0.00 C ATOM 789 C GLY A 127 11.392 -10.779 4.011 1.00 0.00 C ATOM 790 O GLY A 127 12.406 -10.378 4.584 1.00 0.00 O ATOM 0 H GLY A 127 9.500 -11.269 2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 127 11.445 -12.643 2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.465 -11.400 2.267 1.00 0.00 H new ATOM 794 N PHE A 128 10.165 -10.543 4.464 1.00 0.00 N ATOM 795 CA PHE A 128 9.934 -9.782 5.686 1.00 0.00 C ATOM 796 C PHE A 128 8.862 -10.447 6.546 1.00 0.00 C ATOM 797 O PHE A 128 7.674 -10.390 6.230 1.00 0.00 O ATOM 798 CB PHE A 128 9.517 -8.349 5.349 1.00 0.00 C ATOM 799 CG PHE A 128 10.455 -7.659 4.401 1.00 0.00 C ATOM 800 CD1 PHE A 128 11.623 -7.075 4.865 1.00 0.00 C ATOM 801 CD2 PHE A 128 10.170 -7.595 3.047 1.00 0.00 C ATOM 802 CE1 PHE A 128 12.488 -6.438 3.995 1.00 0.00 C ATOM 803 CE2 PHE A 128 11.032 -6.961 2.172 1.00 0.00 C ATOM 804 CZ PHE A 128 12.193 -6.382 2.646 1.00 0.00 C ATOM 0 H PHE A 128 9.315 -10.868 4.003 1.00 0.00 H new ATOM 0 HA PHE A 128 10.866 -9.758 6.251 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.518 -8.363 4.913 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.455 -7.771 6.271 1.00 0.00 H new ATOM 0 HD1 PHE A 128 11.860 -7.118 5.918 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.264 -8.046 2.671 1.00 0.00 H new ATOM 0 HE1 PHE A 128 13.394 -5.984 4.369 1.00 0.00 H new ATOM 0 HE2 PHE A 128 10.798 -6.918 1.119 1.00 0.00 H new ATOM 0 HZ PHE A 128 12.869 -5.887 1.964 1.00 0.00 H new ATOM 814 N ASP A 129 9.292 -11.077 7.633 1.00 0.00 N ATOM 815 CA ASP A 129 8.371 -11.753 8.540 1.00 0.00 C ATOM 816 C ASP A 129 7.660 -10.747 9.441 1.00 0.00 C ATOM 817 O ASP A 129 8.118 -10.456 10.546 1.00 0.00 O ATOM 818 CB ASP A 129 9.121 -12.778 9.392 1.00 0.00 C ATOM 819 CG ASP A 129 9.181 -14.143 8.735 1.00 0.00 C ATOM 820 OD1 ASP A 129 8.321 -14.427 7.875 1.00 0.00 O ATOM 821 OD2 ASP A 129 10.090 -14.927 9.080 1.00 0.00 O ATOM 0 H ASP A 129 10.273 -11.134 7.908 1.00 0.00 H new ATOM 0 HA ASP A 129 7.622 -12.270 7.940 1.00 0.00 H new ATOM 0 HB2 ASP A 129 10.135 -12.422 9.576 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.633 -12.866 10.363 1.00 0.00 H new ATOM 826 N ARG A 130 6.539 -10.219 8.960 1.00 0.00 N ATOM 827 CA ARG A 130 5.766 -9.245 9.720 1.00 0.00 C ATOM 828 C ARG A 130 4.411 -9.819 10.121 1.00 0.00 C ATOM 829 O ARG A 130 3.739 -10.468 9.320 1.00 0.00 O ATOM 830 CB ARG A 130 5.569 -7.968 8.901 1.00 0.00 C ATOM 831 CG ARG A 130 5.336 -6.729 9.751 1.00 0.00 C ATOM 832 CD ARG A 130 6.639 -6.194 10.324 1.00 0.00 C ATOM 833 NE ARG A 130 6.418 -5.064 11.222 1.00 0.00 N ATOM 834 CZ ARG A 130 7.393 -4.450 11.884 1.00 0.00 C ATOM 835 NH1 ARG A 130 8.648 -4.854 11.747 1.00 0.00 N ATOM 836 NH2 ARG A 130 7.113 -3.428 12.683 1.00 0.00 N ATOM 0 H ARG A 130 6.146 -10.450 8.047 1.00 0.00 H new ATOM 0 HA ARG A 130 6.322 -9.005 10.627 1.00 0.00 H new ATOM 0 HB2 ARG A 130 6.447 -7.809 8.275 1.00 0.00 H new ATOM 0 HB3 ARG A 130 4.720 -8.104 8.231 1.00 0.00 H new ATOM 0 HG2 ARG A 130 4.858 -5.957 9.148 1.00 0.00 H new ATOM 0 HG3 ARG A 130 4.650 -6.968 10.564 1.00 0.00 H new ATOM 0 HD2 ARG A 130 7.152 -6.990 10.863 1.00 0.00 H new ATOM 0 HD3 ARG A 130 7.294 -5.887 9.509 1.00 0.00 H new ATOM 0 HE ARG A 130 5.463 -4.728 11.348 1.00 0.00 H new ATOM 0 HH11 ARG A 130 8.867 -5.638 11.132 1.00 0.00 H new ATOM 0 HH12 ARG A 130 9.395 -4.381 12.256 1.00 0.00 H new ATOM 0 HH21 ARG A 130 6.149 -3.113 12.789 1.00 0.00 H new ATOM 0 HH22 ARG A 130 7.862 -2.957 13.191 1.00 0.00 H new ATOM 850 N SER A 131 4.017 -9.577 11.368 1.00 0.00 N ATOM 851 CA SER A 131 2.744 -10.074 11.877 1.00 0.00 C ATOM 852 C SER A 131 1.580 -9.263 11.316 1.00 0.00 C ATOM 853 O SER A 131 1.743 -8.133 10.854 1.00 0.00 O ATOM 854 CB SER A 131 2.727 -10.022 13.406 1.00 0.00 C ATOM 855 OG SER A 131 3.220 -11.227 13.963 1.00 0.00 O ATOM 0 H SER A 131 4.561 -9.040 12.044 1.00 0.00 H new ATOM 0 HA SER A 131 2.631 -11.109 11.554 1.00 0.00 H new ATOM 0 HB2 SER A 131 3.332 -9.184 13.751 1.00 0.00 H new ATOM 0 HB3 SER A 131 1.710 -9.846 13.756 1.00 0.00 H new ATOM 0 HG SER A 131 3.200 -11.167 14.941 1.00 0.00 H new ATOM 861 N PRO A 132 0.376 -9.852 11.355 1.00 0.00 N ATOM 862 CA PRO A 132 -0.840 -9.203 10.855 1.00 0.00 C ATOM 863 C PRO A 132 -1.275 -8.034 11.731 1.00 0.00 C ATOM 864 O PRO A 132 -1.845 -7.058 11.243 1.00 0.00 O ATOM 865 CB PRO A 132 -1.883 -10.322 10.899 1.00 0.00 C ATOM 866 CG PRO A 132 -1.393 -11.256 11.952 1.00 0.00 C ATOM 867 CD PRO A 132 0.108 -11.198 11.891 1.00 0.00 C ATOM 0 HA PRO A 132 -0.695 -8.776 9.863 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -2.871 -9.933 11.144 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -1.968 -10.822 9.934 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.755 -10.959 12.936 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -1.752 -12.269 11.773 1.00 0.00 H new ATOM 0 HD2 PRO A 132 0.556 -11.335 12.875 1.00 0.00 H new ATOM 0 HD3 PRO A 132 0.514 -11.976 11.245 1.00 0.00 H new ATOM 875 N ASP A 133 -1.001 -8.138 13.027 1.00 0.00 N ATOM 876 CA ASP A 133 -1.363 -7.088 13.972 1.00 0.00 C ATOM 877 C ASP A 133 -0.621 -5.793 13.656 1.00 0.00 C ATOM 878 O ASP A 133 -1.091 -4.702 13.977 1.00 0.00 O ATOM 879 CB ASP A 133 -1.054 -7.531 15.403 1.00 0.00 C ATOM 880 CG ASP A 133 -1.803 -8.790 15.793 1.00 0.00 C ATOM 881 OD1 ASP A 133 -3.040 -8.720 15.946 1.00 0.00 O ATOM 882 OD2 ASP A 133 -1.152 -9.845 15.947 1.00 0.00 O ATOM 0 H ASP A 133 -0.529 -8.939 13.447 1.00 0.00 H new ATOM 0 HA ASP A 133 -2.433 -6.904 13.880 1.00 0.00 H new ATOM 0 HB2 ASP A 133 0.018 -7.703 15.504 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.314 -6.728 16.093 1.00 0.00 H new ATOM 887 N MET A 134 0.542 -5.923 13.025 1.00 0.00 N ATOM 888 CA MET A 134 1.349 -4.763 12.665 1.00 0.00 C ATOM 889 C MET A 134 0.739 -4.022 11.479 1.00 0.00 C ATOM 890 O MET A 134 0.532 -2.810 11.533 1.00 0.00 O ATOM 891 CB MET A 134 2.779 -5.193 12.332 1.00 0.00 C ATOM 892 CG MET A 134 3.367 -6.174 13.333 1.00 0.00 C ATOM 893 SD MET A 134 4.161 -5.352 14.728 1.00 0.00 S ATOM 894 CE MET A 134 2.732 -4.852 15.685 1.00 0.00 C ATOM 0 H MET A 134 0.946 -6.819 12.753 1.00 0.00 H new ATOM 0 HA MET A 134 1.370 -4.088 13.520 1.00 0.00 H new ATOM 0 HB2 MET A 134 2.792 -5.646 11.341 1.00 0.00 H new ATOM 0 HB3 MET A 134 3.414 -4.309 12.286 1.00 0.00 H new ATOM 0 HG2 MET A 134 2.577 -6.827 13.703 1.00 0.00 H new ATOM 0 HG3 MET A 134 4.095 -6.809 12.828 1.00 0.00 H new ATOM 0 HE1 MET A 134 2.928 -5.017 16.744 1.00 0.00 H new ATOM 0 HE2 MET A 134 2.531 -3.794 15.514 1.00 0.00 H new ATOM 0 HE3 MET A 134 1.866 -5.440 15.380 1.00 0.00 H new ATOM 904 N CYS A 135 0.455 -4.759 10.411 1.00 0.00 N ATOM 905 CA CYS A 135 -0.131 -4.171 9.211 1.00 0.00 C ATOM 906 C CYS A 135 -1.370 -3.352 9.556 1.00 0.00 C ATOM 907 O CYS A 135 -1.524 -2.218 9.101 1.00 0.00 O ATOM 908 CB CYS A 135 -0.492 -5.266 8.206 1.00 0.00 C ATOM 909 SG CYS A 135 0.914 -6.271 7.672 1.00 0.00 S ATOM 0 H CYS A 135 0.621 -5.764 10.351 1.00 0.00 H new ATOM 0 HA CYS A 135 0.608 -3.506 8.764 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -1.243 -5.919 8.650 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -0.948 -4.804 7.330 1.00 0.00 H new ATOM 0 HG CYS A 135 1.282 -5.904 6.481 1.00 0.00 H new ATOM 915 N THR A 136 -2.253 -3.934 10.361 1.00 0.00 N ATOM 916 CA THR A 136 -3.480 -3.260 10.765 1.00 0.00 C ATOM 917 C THR A 136 -3.176 -1.964 11.509 1.00 0.00 C ATOM 918 O THR A 136 -3.621 -0.888 11.109 1.00 0.00 O ATOM 919 CB THR A 136 -4.348 -4.162 11.662 1.00 0.00 C ATOM 920 OG1 THR A 136 -4.632 -5.394 10.989 1.00 0.00 O ATOM 921 CG2 THR A 136 -5.650 -3.467 12.030 1.00 0.00 C ATOM 0 H THR A 136 -2.141 -4.872 10.746 1.00 0.00 H new ATOM 0 HA THR A 136 -4.030 -3.032 9.852 1.00 0.00 H new ATOM 0 HB THR A 136 -3.794 -4.368 12.578 1.00 0.00 H new ATOM 0 HG1 THR A 136 -3.839 -5.970 11.012 1.00 0.00 H new ATOM 0 HG21 THR A 136 -6.246 -4.123 12.664 1.00 0.00 H new ATOM 0 HG22 THR A 136 -5.431 -2.545 12.568 1.00 0.00 H new ATOM 0 HG23 THR A 136 -6.207 -3.234 11.123 1.00 0.00 H new ATOM 929 N ASP A 137 -2.416 -2.074 12.593 1.00 0.00 N ATOM 930 CA ASP A 137 -2.051 -0.911 13.392 1.00 0.00 C ATOM 931 C ASP A 137 -1.321 0.125 12.542 1.00 0.00 C ATOM 932 O ASP A 137 -1.794 1.249 12.371 1.00 0.00 O ATOM 933 CB ASP A 137 -1.172 -1.331 14.572 1.00 0.00 C ATOM 934 CG ASP A 137 -1.244 -0.349 15.725 1.00 0.00 C ATOM 935 OD1 ASP A 137 -2.227 -0.406 16.493 1.00 0.00 O ATOM 936 OD2 ASP A 137 -0.316 0.475 15.860 1.00 0.00 O ATOM 0 H ASP A 137 -2.041 -2.957 12.938 1.00 0.00 H new ATOM 0 HA ASP A 137 -2.968 -0.461 13.774 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -1.481 -2.317 14.919 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -0.138 -1.420 14.238 1.00 0.00 H new ATOM 941 N LYS A 138 -0.165 -0.260 12.012 1.00 0.00 N ATOM 942 CA LYS A 138 0.631 0.634 11.180 1.00 0.00 C ATOM 943 C LYS A 138 -0.259 1.437 10.237 1.00 0.00 C ATOM 944 O LYS A 138 -0.167 2.663 10.174 1.00 0.00 O ATOM 945 CB LYS A 138 1.656 -0.166 10.372 1.00 0.00 C ATOM 946 CG LYS A 138 2.498 0.689 9.441 1.00 0.00 C ATOM 947 CD LYS A 138 3.623 1.386 10.187 1.00 0.00 C ATOM 948 CE LYS A 138 4.348 2.384 9.298 1.00 0.00 C ATOM 949 NZ LYS A 138 5.565 2.933 9.958 1.00 0.00 N ATOM 0 H LYS A 138 0.242 -1.186 12.144 1.00 0.00 H new ATOM 0 HA LYS A 138 1.155 1.329 11.836 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.315 -0.696 11.060 1.00 0.00 H new ATOM 0 HB3 LYS A 138 1.134 -0.921 9.785 1.00 0.00 H new ATOM 0 HG2 LYS A 138 2.916 0.065 8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 138 1.865 1.433 8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.219 1.901 11.059 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.331 0.644 10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.629 1.900 8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 138 3.673 3.201 9.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 6.287 3.140 9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 5.320 3.808 10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 5.939 2.235 10.632 1.00 0.00 H new ATOM 963 N TRP A 139 -1.122 0.738 9.507 1.00 0.00 N ATOM 964 CA TRP A 139 -2.030 1.388 8.569 1.00 0.00 C ATOM 965 C TRP A 139 -2.789 2.525 9.244 1.00 0.00 C ATOM 966 O TRP A 139 -2.770 3.662 8.772 1.00 0.00 O ATOM 967 CB TRP A 139 -3.016 0.369 7.995 1.00 0.00 C ATOM 968 CG TRP A 139 -3.882 0.929 6.907 1.00 0.00 C ATOM 969 CD1 TRP A 139 -5.211 1.234 6.992 1.00 0.00 C ATOM 970 CD2 TRP A 139 -3.480 1.248 5.570 1.00 0.00 C ATOM 971 NE1 TRP A 139 -5.658 1.723 5.788 1.00 0.00 N ATOM 972 CE2 TRP A 139 -4.616 1.743 4.900 1.00 0.00 C ATOM 973 CE3 TRP A 139 -2.270 1.166 4.875 1.00 0.00 C ATOM 974 CZ2 TRP A 139 -4.576 2.152 3.570 1.00 0.00 C ATOM 975 CZ3 TRP A 139 -2.232 1.572 3.555 1.00 0.00 C ATOM 976 CH2 TRP A 139 -3.378 2.060 2.913 1.00 0.00 C ATOM 0 H TRP A 139 -1.212 -0.277 9.547 1.00 0.00 H new ATOM 0 HA TRP A 139 -1.436 1.806 7.757 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -2.460 -0.484 7.605 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -3.650 -0.005 8.799 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -5.820 1.109 7.875 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -6.612 2.023 5.588 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -1.381 0.792 5.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -5.458 2.528 3.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.303 1.512 3.008 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -3.315 2.370 1.880 1.00 0.00 H new ATOM 987 N ARG A 140 -3.455 2.211 10.350 1.00 0.00 N ATOM 988 CA ARG A 140 -4.221 3.207 11.089 1.00 0.00 C ATOM 989 C ARG A 140 -3.425 4.500 11.244 1.00 0.00 C ATOM 990 O ARG A 140 -3.881 5.572 10.849 1.00 0.00 O ATOM 991 CB ARG A 140 -4.609 2.665 12.466 1.00 0.00 C ATOM 992 CG ARG A 140 -5.901 1.865 12.464 1.00 0.00 C ATOM 993 CD ARG A 140 -6.114 1.150 13.789 1.00 0.00 C ATOM 994 NE ARG A 140 -7.143 0.118 13.694 1.00 0.00 N ATOM 995 CZ ARG A 140 -7.571 -0.592 14.733 1.00 0.00 C ATOM 996 NH1 ARG A 140 -7.061 -0.382 15.938 1.00 0.00 N ATOM 997 NH2 ARG A 140 -8.511 -1.514 14.566 1.00 0.00 N ATOM 0 H ARG A 140 -3.480 1.275 10.754 1.00 0.00 H new ATOM 0 HA ARG A 140 -5.127 3.424 10.524 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -3.802 2.035 12.839 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -4.709 3.499 13.160 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -6.742 2.530 12.269 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.877 1.135 11.655 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -5.176 0.698 14.112 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -6.398 1.876 14.551 1.00 0.00 H new ATOM 0 HE ARG A 140 -7.556 -0.068 12.780 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -6.338 0.326 16.070 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -7.391 -0.928 16.734 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -8.906 -1.678 13.640 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -8.839 -2.058 15.364 1.00 0.00 H new ATOM 1011 N ASN A 141 -2.234 4.389 11.823 1.00 0.00 N ATOM 1012 CA ASN A 141 -1.375 5.549 12.032 1.00 0.00 C ATOM 1013 C ASN A 141 -1.164 6.311 10.727 1.00 0.00 C ATOM 1014 O ASN A 141 -1.320 7.532 10.676 1.00 0.00 O ATOM 1015 CB ASN A 141 -0.025 5.113 12.605 1.00 0.00 C ATOM 1016 CG ASN A 141 0.789 6.284 13.122 1.00 0.00 C ATOM 1017 OD1 ASN A 141 0.616 7.418 12.677 1.00 0.00 O ATOM 1018 ND2 ASN A 141 1.681 6.012 14.067 1.00 0.00 N ATOM 0 H ASN A 141 -1.842 3.508 12.156 1.00 0.00 H new ATOM 0 HA ASN A 141 -1.867 6.212 12.744 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -0.190 4.403 13.415 1.00 0.00 H new ATOM 0 HB3 ASN A 141 0.543 4.592 11.834 1.00 0.00 H new ATOM 0 HD21 ASN A 141 2.257 6.759 14.454 1.00 0.00 H new ATOM 0 HD22 ASN A 141 1.790 5.056 14.406 1.00 0.00 H new ATOM 1025 N LEU A 142 -0.808 5.584 9.674 1.00 0.00 N ATOM 1026 CA LEU A 142 -0.577 6.190 8.368 1.00 0.00 C ATOM 1027 C LEU A 142 -1.733 7.106 7.980 1.00 0.00 C ATOM 1028 O LEU A 142 -1.523 8.211 7.478 1.00 0.00 O ATOM 1029 CB LEU A 142 -0.391 5.106 7.305 1.00 0.00 C ATOM 1030 CG LEU A 142 0.844 4.217 7.462 1.00 0.00 C ATOM 1031 CD1 LEU A 142 0.673 2.924 6.681 1.00 0.00 C ATOM 1032 CD2 LEU A 142 2.094 4.956 7.008 1.00 0.00 C ATOM 0 H LEU A 142 -0.673 4.573 9.699 1.00 0.00 H new ATOM 0 HA LEU A 142 0.332 6.789 8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -1.275 4.469 7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -0.346 5.587 6.328 1.00 0.00 H new ATOM 0 HG LEU A 142 0.957 3.968 8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.561 2.304 6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.199 2.387 7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 142 0.534 3.153 5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 142 2.963 4.309 7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.991 5.236 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 142 2.225 5.854 7.612 1.00 0.00 H new ATOM 1044 N LEU A 143 -2.954 6.640 8.217 1.00 0.00 N ATOM 1045 CA LEU A 143 -4.146 7.417 7.894 1.00 0.00 C ATOM 1046 C LEU A 143 -4.287 8.612 8.831 1.00 0.00 C ATOM 1047 O LEU A 143 -4.802 9.661 8.445 1.00 0.00 O ATOM 1048 CB LEU A 143 -5.393 6.536 7.982 1.00 0.00 C ATOM 1049 CG LEU A 143 -5.472 5.382 6.981 1.00 0.00 C ATOM 1050 CD1 LEU A 143 -6.505 4.359 7.427 1.00 0.00 C ATOM 1051 CD2 LEU A 143 -5.801 5.904 5.590 1.00 0.00 C ATOM 0 H LEU A 143 -3.145 5.728 8.632 1.00 0.00 H new ATOM 0 HA LEU A 143 -4.042 7.788 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -5.450 6.122 8.989 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -6.270 7.168 7.847 1.00 0.00 H new ATOM 0 HG LEU A 143 -4.499 4.892 6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.547 3.545 6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.226 3.962 8.403 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.483 4.835 7.495 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -5.853 5.069 4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -6.761 6.419 5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -5.024 6.598 5.269 1.00 0.00 H new ATOM 1063 N LYS A 144 -3.823 8.447 10.065 1.00 0.00 N ATOM 1064 CA LYS A 144 -3.893 9.513 11.059 1.00 0.00 C ATOM 1065 C LYS A 144 -3.036 10.703 10.641 1.00 0.00 C ATOM 1066 O LYS A 144 -3.476 11.850 10.711 1.00 0.00 O ATOM 1067 CB LYS A 144 -3.435 8.996 12.424 1.00 0.00 C ATOM 1068 CG LYS A 144 -4.398 8.003 13.053 1.00 0.00 C ATOM 1069 CD LYS A 144 -4.179 7.886 14.552 1.00 0.00 C ATOM 1070 CE LYS A 144 -5.465 7.523 15.277 1.00 0.00 C ATOM 1071 NZ LYS A 144 -6.279 8.728 15.599 1.00 0.00 N ATOM 0 H LYS A 144 -3.394 7.585 10.401 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.930 9.841 11.131 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -2.459 8.524 12.315 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -3.306 9.842 13.099 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -5.424 8.316 12.858 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -4.269 7.026 12.588 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -3.421 7.128 14.752 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -3.796 8.830 14.939 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -6.051 6.843 14.659 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -5.225 6.990 16.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -7.147 8.439 16.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -5.729 9.365 16.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -6.530 9.223 14.719 1.00 0.00 H new ATOM 1085 N GLU A 145 -1.812 10.422 10.206 1.00 0.00 N ATOM 1086 CA GLU A 145 -0.895 11.471 9.776 1.00 0.00 C ATOM 1087 C GLU A 145 -1.338 12.070 8.445 1.00 0.00 C ATOM 1088 O GLU A 145 -1.096 13.245 8.168 1.00 0.00 O ATOM 1089 CB GLU A 145 0.526 10.917 9.651 1.00 0.00 C ATOM 1090 CG GLU A 145 0.665 9.832 8.596 1.00 0.00 C ATOM 1091 CD GLU A 145 2.102 9.388 8.402 1.00 0.00 C ATOM 1092 OE1 GLU A 145 3.015 10.190 8.687 1.00 0.00 O ATOM 1093 OE2 GLU A 145 2.313 8.237 7.966 1.00 0.00 O ATOM 0 H GLU A 145 -1.433 9.477 10.142 1.00 0.00 H new ATOM 0 HA GLU A 145 -0.906 12.258 10.530 1.00 0.00 H new ATOM 0 HB2 GLU A 145 1.206 11.734 9.411 1.00 0.00 H new ATOM 0 HB3 GLU A 145 0.837 10.516 10.616 1.00 0.00 H new ATOM 0 HG2 GLU A 145 0.059 8.973 8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 145 0.271 10.199 7.648 1.00 0.00 H new ATOM 1100 N PHE A 146 -1.989 11.254 7.623 1.00 0.00 N ATOM 1101 CA PHE A 146 -2.466 11.701 6.320 1.00 0.00 C ATOM 1102 C PHE A 146 -3.641 12.663 6.471 1.00 0.00 C ATOM 1103 O PHE A 146 -3.680 13.719 5.841 1.00 0.00 O ATOM 1104 CB PHE A 146 -2.881 10.502 5.465 1.00 0.00 C ATOM 1105 CG PHE A 146 -1.724 9.813 4.798 1.00 0.00 C ATOM 1106 CD1 PHE A 146 -0.781 10.540 4.092 1.00 0.00 C ATOM 1107 CD2 PHE A 146 -1.582 8.437 4.878 1.00 0.00 C ATOM 1108 CE1 PHE A 146 0.285 9.909 3.477 1.00 0.00 C ATOM 1109 CE2 PHE A 146 -0.518 7.800 4.267 1.00 0.00 C ATOM 1110 CZ PHE A 146 0.415 8.537 3.564 1.00 0.00 C ATOM 0 H PHE A 146 -2.198 10.279 7.837 1.00 0.00 H new ATOM 0 HA PHE A 146 -1.650 12.227 5.824 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -3.409 9.784 6.092 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.584 10.836 4.702 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -0.879 11.613 4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -2.311 7.856 5.424 1.00 0.00 H new ATOM 0 HE1 PHE A 146 1.014 10.488 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.416 6.727 4.339 1.00 0.00 H new ATOM 0 HZ PHE A 146 1.245 8.041 3.083 1.00 0.00 H new