USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 501 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 135 CYS SG : rot 4:sc= -0.207 USER MOD Set 1.2: A 136 THR OG1 : rot 82:sc= 0.831 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 77:sc= 0.579 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -158:sc= -0.15 (180deg=-1.02) USER MOD Single : A 107 ASN :FLIP amide:sc= 0.592 F(o=0,f=0.59) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 75:sc= 1.38 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= -0.0494 K(o=-0.049,f=-2.7!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS :FLIP no HD1:sc= -0.497 F(o=-2.9!,f=-0.5) USER MOD Single : A 118 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 120 SER OG : rot -77:sc= 0.579 USER MOD Single : A 121 SER OG : rot -87:sc= -0.0327 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 168:sc= -0.56 (180deg=-0.973) 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 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -0.0536 K(o=-0.054,f=-1.9!) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 9.337 0.873 10.124 1.00 0.00 N ATOM 109 CA TRP A 87 9.066 0.193 8.863 1.00 0.00 C ATOM 110 C TRP A 87 10.000 0.692 7.765 1.00 0.00 C ATOM 111 O TRP A 87 10.046 1.886 7.471 1.00 0.00 O ATOM 112 CB TRP A 87 7.610 0.406 8.447 1.00 0.00 C ATOM 113 CG TRP A 87 6.654 -0.519 9.136 1.00 0.00 C ATOM 114 CD1 TRP A 87 6.469 -0.653 10.483 1.00 0.00 C ATOM 115 CD2 TRP A 87 5.753 -1.441 8.512 1.00 0.00 C ATOM 116 NE1 TRP A 87 5.508 -1.602 10.733 1.00 0.00 N ATOM 117 CE2 TRP A 87 5.053 -2.100 9.541 1.00 0.00 C ATOM 118 CE3 TRP A 87 5.469 -1.773 7.185 1.00 0.00 C ATOM 119 CZ2 TRP A 87 4.089 -3.071 9.282 1.00 0.00 C ATOM 120 CZ3 TRP A 87 4.513 -2.737 6.929 1.00 0.00 C ATOM 121 CH2 TRP A 87 3.831 -3.376 7.973 1.00 0.00 C ATOM 0 HA TRP A 87 9.242 -0.873 9.008 1.00 0.00 H new ATOM 0 HB2 TRP A 87 7.326 1.436 8.661 1.00 0.00 H new ATOM 0 HB3 TRP A 87 7.524 0.269 7.369 1.00 0.00 H new ATOM 0 HD1 TRP A 87 7.000 -0.095 11.240 1.00 0.00 H new ATOM 0 HE1 TRP A 87 5.185 -1.889 11.657 1.00 0.00 H new ATOM 0 HE3 TRP A 87 5.988 -1.285 6.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 3.564 -3.566 10.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 4.287 -3.003 5.907 1.00 0.00 H new ATOM 0 HH2 TRP A 87 3.087 -4.124 7.740 1.00 0.00 H new ATOM 132 N VAL A 88 10.742 -0.231 7.161 1.00 0.00 N ATOM 133 CA VAL A 88 11.673 0.115 6.094 1.00 0.00 C ATOM 134 C VAL A 88 10.931 0.481 4.813 1.00 0.00 C ATOM 135 O VAL A 88 9.822 0.005 4.571 1.00 0.00 O ATOM 136 CB VAL A 88 12.644 -1.044 5.799 1.00 0.00 C ATOM 137 CG1 VAL A 88 13.556 -1.293 6.990 1.00 0.00 C ATOM 138 CG2 VAL A 88 11.874 -2.304 5.434 1.00 0.00 C ATOM 0 H VAL A 88 10.716 -1.224 7.393 1.00 0.00 H new ATOM 0 HA VAL A 88 12.243 0.978 6.439 1.00 0.00 H new ATOM 0 HB VAL A 88 13.266 -0.766 4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.235 -2.115 6.763 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.134 -0.393 7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.954 -1.550 7.862 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.576 -3.113 5.229 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.226 -2.588 6.263 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.268 -2.116 4.548 1.00 0.00 H new ATOM 148 N GLN A 89 11.551 1.327 3.998 1.00 0.00 N ATOM 149 CA GLN A 89 10.948 1.757 2.741 1.00 0.00 C ATOM 150 C GLN A 89 10.448 0.559 1.940 1.00 0.00 C ATOM 151 O GLN A 89 9.345 0.582 1.394 1.00 0.00 O ATOM 152 CB GLN A 89 11.957 2.554 1.913 1.00 0.00 C ATOM 153 CG GLN A 89 13.221 1.777 1.582 1.00 0.00 C ATOM 154 CD GLN A 89 14.387 2.681 1.234 1.00 0.00 C ATOM 155 OE1 GLN A 89 15.377 2.746 1.963 1.00 0.00 O ATOM 156 NE2 GLN A 89 14.276 3.386 0.114 1.00 0.00 N ATOM 0 H GLN A 89 12.470 1.729 4.185 1.00 0.00 H new ATOM 0 HA GLN A 89 10.096 2.396 2.975 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.482 2.872 0.985 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.228 3.458 2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.492 1.152 2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.023 1.107 0.745 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.438 3.302 -0.461 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.029 4.012 -0.171 1.00 0.00 H new ATOM 165 N ASP A 90 11.267 -0.485 1.873 1.00 0.00 N ATOM 166 CA ASP A 90 10.908 -1.692 1.139 1.00 0.00 C ATOM 167 C ASP A 90 9.549 -2.218 1.590 1.00 0.00 C ATOM 168 O ASP A 90 8.672 -2.482 0.768 1.00 0.00 O ATOM 169 CB ASP A 90 11.976 -2.770 1.334 1.00 0.00 C ATOM 170 CG ASP A 90 13.321 -2.361 0.769 1.00 0.00 C ATOM 171 OD1 ASP A 90 13.609 -1.146 0.742 1.00 0.00 O ATOM 172 OD2 ASP A 90 14.087 -3.255 0.352 1.00 0.00 O ATOM 0 H ASP A 90 12.184 -0.519 2.318 1.00 0.00 H new ATOM 0 HA ASP A 90 10.847 -1.439 0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 90 12.082 -2.984 2.397 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.649 -3.692 0.854 1.00 0.00 H new ATOM 177 N GLU A 91 9.383 -2.369 2.900 1.00 0.00 N ATOM 178 CA GLU A 91 8.131 -2.865 3.459 1.00 0.00 C ATOM 179 C GLU A 91 7.006 -1.854 3.257 1.00 0.00 C ATOM 180 O GLU A 91 5.911 -2.205 2.816 1.00 0.00 O ATOM 181 CB GLU A 91 8.296 -3.168 4.950 1.00 0.00 C ATOM 182 CG GLU A 91 9.179 -4.373 5.231 1.00 0.00 C ATOM 183 CD GLU A 91 9.113 -5.414 4.132 1.00 0.00 C ATOM 184 OE1 GLU A 91 9.762 -5.212 3.084 1.00 0.00 O ATOM 185 OE2 GLU A 91 8.413 -6.431 4.318 1.00 0.00 O ATOM 0 H GLU A 91 10.099 -2.155 3.594 1.00 0.00 H new ATOM 0 HA GLU A 91 7.869 -3.784 2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.719 -2.294 5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.313 -3.338 5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.211 -4.042 5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.878 -4.827 6.175 1.00 0.00 H new ATOM 192 N THR A 92 7.284 -0.595 3.582 1.00 0.00 N ATOM 193 CA THR A 92 6.296 0.467 3.438 1.00 0.00 C ATOM 194 C THR A 92 5.784 0.552 2.005 1.00 0.00 C ATOM 195 O THR A 92 4.604 0.322 1.743 1.00 0.00 O ATOM 196 CB THR A 92 6.879 1.834 3.845 1.00 0.00 C ATOM 197 OG1 THR A 92 7.532 1.730 5.115 1.00 0.00 O ATOM 198 CG2 THR A 92 5.785 2.889 3.916 1.00 0.00 C ATOM 0 H THR A 92 8.185 -0.286 3.947 1.00 0.00 H new ATOM 0 HA THR A 92 5.468 0.220 4.102 1.00 0.00 H new ATOM 0 HB THR A 92 7.604 2.135 3.088 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.403 1.296 5.000 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.220 3.846 4.205 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.310 2.987 2.940 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.040 2.592 4.654 1.00 0.00 H new ATOM 206 N ARG A 93 6.680 0.881 1.080 1.00 0.00 N ATOM 207 CA ARG A 93 6.318 0.996 -0.327 1.00 0.00 C ATOM 208 C ARG A 93 5.484 -0.202 -0.774 1.00 0.00 C ATOM 209 O ARG A 93 4.352 -0.047 -1.232 1.00 0.00 O ATOM 210 CB ARG A 93 7.575 1.107 -1.192 1.00 0.00 C ATOM 211 CG ARG A 93 7.356 1.868 -2.490 1.00 0.00 C ATOM 212 CD ARG A 93 7.585 3.360 -2.307 1.00 0.00 C ATOM 213 NE ARG A 93 9.005 3.689 -2.219 1.00 0.00 N ATOM 214 CZ ARG A 93 9.465 4.927 -2.076 1.00 0.00 C ATOM 215 NH1 ARG A 93 8.621 5.947 -2.003 1.00 0.00 N ATOM 216 NH2 ARG A 93 10.772 5.146 -2.003 1.00 0.00 N ATOM 0 H ARG A 93 7.662 1.073 1.280 1.00 0.00 H new ATOM 0 HA ARG A 93 5.720 1.899 -0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.358 1.602 -0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.935 0.105 -1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.032 1.486 -3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.341 1.696 -2.847 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.139 3.900 -3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.078 3.696 -1.402 1.00 0.00 H new ATOM 0 HE ARG A 93 9.681 2.927 -2.270 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.616 5.782 -2.057 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.977 6.897 -1.893 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.424 4.363 -2.057 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.124 6.097 -1.893 1.00 0.00 H new ATOM 230 N SER A 94 6.053 -1.395 -0.637 1.00 0.00 N ATOM 231 CA SER A 94 5.364 -2.619 -1.031 1.00 0.00 C ATOM 232 C SER A 94 3.992 -2.707 -0.369 1.00 0.00 C ATOM 233 O SER A 94 2.965 -2.762 -1.047 1.00 0.00 O ATOM 234 CB SER A 94 6.203 -3.843 -0.657 1.00 0.00 C ATOM 235 OG SER A 94 7.189 -4.105 -1.641 1.00 0.00 O ATOM 0 H SER A 94 6.988 -1.541 -0.257 1.00 0.00 H new ATOM 0 HA SER A 94 5.226 -2.598 -2.112 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.682 -3.678 0.308 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.555 -4.712 -0.547 1.00 0.00 H new ATOM 0 HG SER A 94 7.713 -4.890 -1.378 1.00 0.00 H new ATOM 241 N LEU A 95 3.983 -2.721 0.959 1.00 0.00 N ATOM 242 CA LEU A 95 2.738 -2.803 1.715 1.00 0.00 C ATOM 243 C LEU A 95 1.642 -1.976 1.049 1.00 0.00 C ATOM 244 O LEU A 95 0.579 -2.496 0.710 1.00 0.00 O ATOM 245 CB LEU A 95 2.957 -2.320 3.150 1.00 0.00 C ATOM 246 CG LEU A 95 1.706 -2.226 4.025 1.00 0.00 C ATOM 247 CD1 LEU A 95 1.257 -3.611 4.463 1.00 0.00 C ATOM 248 CD2 LEU A 95 1.966 -1.340 5.234 1.00 0.00 C ATOM 0 H LEU A 95 4.824 -2.677 1.535 1.00 0.00 H new ATOM 0 HA LEU A 95 2.420 -3.846 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.665 -2.992 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.425 -1.336 3.114 1.00 0.00 H new ATOM 0 HG LEU A 95 0.906 -1.776 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.366 -3.525 5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.030 -4.215 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.053 -4.088 5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.065 -1.285 5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.780 -1.760 5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.240 -0.339 4.900 1.00 0.00 H new ATOM 260 N ILE A 96 1.910 -0.688 0.865 1.00 0.00 N ATOM 261 CA ILE A 96 0.948 0.209 0.237 1.00 0.00 C ATOM 262 C ILE A 96 0.463 -0.350 -1.096 1.00 0.00 C ATOM 263 O ILE A 96 -0.735 -0.544 -1.301 1.00 0.00 O ATOM 264 CB ILE A 96 1.550 1.608 0.005 1.00 0.00 C ATOM 265 CG1 ILE A 96 1.971 2.232 1.337 1.00 0.00 C ATOM 266 CG2 ILE A 96 0.551 2.502 -0.714 1.00 0.00 C ATOM 267 CD1 ILE A 96 2.617 3.592 1.189 1.00 0.00 C ATOM 0 H ILE A 96 2.785 -0.242 1.142 1.00 0.00 H new ATOM 0 HA ILE A 96 0.104 0.294 0.921 1.00 0.00 H new ATOM 0 HB ILE A 96 2.435 1.508 -0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.095 2.323 1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.667 1.561 1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.991 3.487 -0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.296 2.061 -1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.351 2.599 -0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.890 3.974 2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.512 3.505 0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.915 4.278 0.715 1.00 0.00 H new ATOM 279 N MET A 97 1.403 -0.610 -2.000 1.00 0.00 N ATOM 280 CA MET A 97 1.071 -1.151 -3.313 1.00 0.00 C ATOM 281 C MET A 97 0.014 -2.244 -3.199 1.00 0.00 C ATOM 282 O MET A 97 -1.090 -2.112 -3.728 1.00 0.00 O ATOM 283 CB MET A 97 2.325 -1.706 -3.991 1.00 0.00 C ATOM 284 CG MET A 97 3.184 -0.638 -4.648 1.00 0.00 C ATOM 285 SD MET A 97 4.316 -1.316 -5.878 1.00 0.00 S ATOM 286 CE MET A 97 5.862 -0.574 -5.361 1.00 0.00 C ATOM 0 H MET A 97 2.399 -0.455 -1.847 1.00 0.00 H new ATOM 0 HA MET A 97 0.666 -0.341 -3.921 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.923 -2.237 -3.251 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.028 -2.436 -4.744 1.00 0.00 H new ATOM 0 HG2 MET A 97 2.538 0.101 -5.122 1.00 0.00 H new ATOM 0 HG3 MET A 97 3.757 -0.116 -3.882 1.00 0.00 H new ATOM 0 HE1 MET A 97 6.662 -0.899 -6.027 1.00 0.00 H new ATOM 0 HE2 MET A 97 5.775 0.512 -5.400 1.00 0.00 H new ATOM 0 HE3 MET A 97 6.091 -0.883 -4.341 1.00 0.00 H new ATOM 296 N PHE A 98 0.359 -3.325 -2.506 1.00 0.00 N ATOM 297 CA PHE A 98 -0.561 -4.442 -2.325 1.00 0.00 C ATOM 298 C PHE A 98 -1.954 -3.944 -1.952 1.00 0.00 C ATOM 299 O PHE A 98 -2.956 -4.401 -2.503 1.00 0.00 O ATOM 300 CB PHE A 98 -0.039 -5.389 -1.242 1.00 0.00 C ATOM 301 CG PHE A 98 1.420 -5.719 -1.387 1.00 0.00 C ATOM 302 CD1 PHE A 98 1.959 -6.003 -2.632 1.00 0.00 C ATOM 303 CD2 PHE A 98 2.251 -5.744 -0.279 1.00 0.00 C ATOM 304 CE1 PHE A 98 3.300 -6.307 -2.767 1.00 0.00 C ATOM 305 CE2 PHE A 98 3.593 -6.048 -0.409 1.00 0.00 C ATOM 306 CZ PHE A 98 4.119 -6.329 -1.655 1.00 0.00 C ATOM 0 H PHE A 98 1.268 -3.451 -2.061 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.628 -4.982 -3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.206 -4.937 -0.264 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.617 -6.313 -1.269 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.324 -5.986 -3.506 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.846 -5.523 0.697 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.708 -6.528 -3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.230 -6.066 0.463 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.168 -6.565 -1.759 1.00 0.00 H new ATOM 316 N ARG A 99 -2.009 -3.006 -1.012 1.00 0.00 N ATOM 317 CA ARG A 99 -3.279 -2.447 -0.563 1.00 0.00 C ATOM 318 C ARG A 99 -4.019 -1.783 -1.720 1.00 0.00 C ATOM 319 O ARG A 99 -5.089 -2.235 -2.127 1.00 0.00 O ATOM 320 CB ARG A 99 -3.046 -1.433 0.558 1.00 0.00 C ATOM 321 CG ARG A 99 -2.352 -2.020 1.776 1.00 0.00 C ATOM 322 CD ARG A 99 -3.356 -2.564 2.780 1.00 0.00 C ATOM 323 NE ARG A 99 -2.821 -3.699 3.528 1.00 0.00 N ATOM 324 CZ ARG A 99 -1.834 -3.598 4.411 1.00 0.00 C ATOM 325 NH1 ARG A 99 -1.278 -2.420 4.657 1.00 0.00 N ATOM 326 NH2 ARG A 99 -1.402 -4.677 5.052 1.00 0.00 N ATOM 0 H ARG A 99 -1.189 -2.617 -0.546 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.893 -3.263 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -2.447 -0.608 0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -4.005 -1.015 0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.679 -2.819 1.463 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.739 -1.254 2.251 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.639 -1.773 3.475 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -4.263 -2.869 2.257 1.00 0.00 H new ATOM 0 HE ARG A 99 -3.228 -4.620 3.363 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.608 -1.588 4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.520 -2.345 5.336 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.828 -5.585 4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.644 -4.598 5.730 1.00 0.00 H new ATOM 340 N ARG A 100 -3.442 -0.706 -2.244 1.00 0.00 N ATOM 341 CA ARG A 100 -4.048 0.022 -3.353 1.00 0.00 C ATOM 342 C ARG A 100 -4.779 -0.931 -4.294 1.00 0.00 C ATOM 343 O ARG A 100 -5.839 -0.603 -4.826 1.00 0.00 O ATOM 344 CB ARG A 100 -2.980 0.799 -4.125 1.00 0.00 C ATOM 345 CG ARG A 100 -2.241 1.823 -3.279 1.00 0.00 C ATOM 346 CD ARG A 100 -3.149 2.976 -2.880 1.00 0.00 C ATOM 347 NE ARG A 100 -3.431 3.864 -4.005 1.00 0.00 N ATOM 348 CZ ARG A 100 -4.221 4.929 -3.920 1.00 0.00 C ATOM 349 NH1 ARG A 100 -4.803 5.237 -2.769 1.00 0.00 N ATOM 350 NH2 ARG A 100 -4.429 5.689 -4.988 1.00 0.00 N ATOM 0 H ARG A 100 -2.556 -0.319 -1.919 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.772 0.725 -2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -2.259 0.095 -4.540 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -3.450 1.307 -4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -1.848 1.341 -2.384 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -1.386 2.207 -3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.085 2.581 -2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -2.681 3.545 -2.077 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.998 3.655 -4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.645 4.656 -1.946 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.409 6.055 -2.707 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.982 5.456 -5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.036 6.506 -4.922 1.00 0.00 H new ATOM 364 N GLY A 101 -4.204 -2.113 -4.496 1.00 0.00 N ATOM 365 CA GLY A 101 -4.815 -3.094 -5.373 1.00 0.00 C ATOM 366 C GLY A 101 -6.063 -3.711 -4.774 1.00 0.00 C ATOM 367 O GLY A 101 -7.086 -3.835 -5.447 1.00 0.00 O ATOM 0 H GLY A 101 -3.326 -2.408 -4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.067 -2.621 -6.322 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.093 -3.881 -5.591 1.00 0.00 H new ATOM 371 N MET A 102 -5.980 -4.099 -3.506 1.00 0.00 N ATOM 372 CA MET A 102 -7.113 -4.706 -2.817 1.00 0.00 C ATOM 373 C MET A 102 -7.753 -3.717 -1.847 1.00 0.00 C ATOM 374 O MET A 102 -8.306 -4.111 -0.820 1.00 0.00 O ATOM 375 CB MET A 102 -6.666 -5.960 -2.063 1.00 0.00 C ATOM 376 CG MET A 102 -6.140 -7.060 -2.972 1.00 0.00 C ATOM 377 SD MET A 102 -6.425 -8.710 -2.302 1.00 0.00 S ATOM 378 CE MET A 102 -6.049 -8.442 -0.571 1.00 0.00 C ATOM 0 H MET A 102 -5.140 -4.004 -2.935 1.00 0.00 H new ATOM 0 HA MET A 102 -7.854 -4.985 -3.566 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.889 -5.687 -1.349 1.00 0.00 H new ATOM 0 HB3 MET A 102 -7.507 -6.347 -1.487 1.00 0.00 H new ATOM 0 HG2 MET A 102 -6.620 -6.980 -3.948 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.071 -6.916 -3.130 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.796 -9.393 -0.102 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.205 -7.758 -0.484 1.00 0.00 H new ATOM 0 HE3 MET A 102 -6.917 -8.011 -0.072 1.00 0.00 H new ATOM 388 N ASP A 103 -7.673 -2.434 -2.180 1.00 0.00 N ATOM 389 CA ASP A 103 -8.246 -1.389 -1.339 1.00 0.00 C ATOM 390 C ASP A 103 -9.770 -1.427 -1.387 1.00 0.00 C ATOM 391 O ASP A 103 -10.438 -1.233 -0.373 1.00 0.00 O ATOM 392 CB ASP A 103 -7.744 -0.015 -1.783 1.00 0.00 C ATOM 393 CG ASP A 103 -8.728 1.093 -1.463 1.00 0.00 C ATOM 394 OD1 ASP A 103 -9.731 1.227 -2.196 1.00 0.00 O ATOM 395 OD2 ASP A 103 -8.496 1.825 -0.479 1.00 0.00 O ATOM 0 H ASP A 103 -7.217 -2.092 -3.026 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.928 -1.569 -0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.793 0.196 -1.295 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.555 -0.030 -2.856 1.00 0.00 H new ATOM 400 N GLY A 104 -10.314 -1.679 -2.574 1.00 0.00 N ATOM 401 CA GLY A 104 -11.755 -1.737 -2.733 1.00 0.00 C ATOM 402 C GLY A 104 -12.400 -2.749 -1.807 1.00 0.00 C ATOM 403 O GLY A 104 -13.435 -2.474 -1.199 1.00 0.00 O ATOM 0 H GLY A 104 -9.782 -1.844 -3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.179 -0.751 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.994 -1.990 -3.766 1.00 0.00 H new ATOM 407 N LEU A 105 -11.789 -3.923 -1.700 1.00 0.00 N ATOM 408 CA LEU A 105 -12.311 -4.982 -0.842 1.00 0.00 C ATOM 409 C LEU A 105 -12.544 -4.469 0.575 1.00 0.00 C ATOM 410 O LEU A 105 -13.601 -4.699 1.164 1.00 0.00 O ATOM 411 CB LEU A 105 -11.343 -6.167 -0.815 1.00 0.00 C ATOM 412 CG LEU A 105 -11.176 -6.927 -2.131 1.00 0.00 C ATOM 413 CD1 LEU A 105 -9.978 -7.860 -2.060 1.00 0.00 C ATOM 414 CD2 LEU A 105 -12.442 -7.705 -2.461 1.00 0.00 C ATOM 0 H LEU A 105 -10.932 -4.166 -2.196 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.266 -5.310 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -10.364 -5.804 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.681 -6.869 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 105 -11.000 -6.204 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.875 -8.392 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.075 -7.279 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.124 -8.578 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.306 -8.240 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.649 -8.419 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.280 -7.014 -2.555 1.00 0.00 H new ATOM 426 N PHE A 106 -11.552 -3.770 1.117 1.00 0.00 N ATOM 427 CA PHE A 106 -11.650 -3.223 2.465 1.00 0.00 C ATOM 428 C PHE A 106 -12.847 -2.284 2.586 1.00 0.00 C ATOM 429 O PHE A 106 -13.627 -2.375 3.533 1.00 0.00 O ATOM 430 CB PHE A 106 -10.364 -2.477 2.830 1.00 0.00 C ATOM 431 CG PHE A 106 -9.232 -3.386 3.213 1.00 0.00 C ATOM 432 CD1 PHE A 106 -9.170 -3.941 4.481 1.00 0.00 C ATOM 433 CD2 PHE A 106 -8.229 -3.686 2.305 1.00 0.00 C ATOM 434 CE1 PHE A 106 -8.129 -4.779 4.836 1.00 0.00 C ATOM 435 CE2 PHE A 106 -7.186 -4.523 2.655 1.00 0.00 C ATOM 436 CZ PHE A 106 -7.136 -5.069 3.922 1.00 0.00 C ATOM 0 H PHE A 106 -10.671 -3.569 0.643 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.790 -4.053 3.157 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.056 -1.864 1.983 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.570 -1.798 3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -9.944 -3.717 5.200 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.263 -3.261 1.313 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -8.093 -5.206 5.827 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.411 -4.750 1.938 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.321 -5.722 4.198 1.00 0.00 H new ATOM 446 N ASN A 107 -12.984 -1.383 1.619 1.00 0.00 N ATOM 447 CA ASN A 107 -14.085 -0.427 1.616 1.00 0.00 C ATOM 448 C ASN A 107 -15.417 -1.130 1.861 1.00 0.00 C ATOM 449 O ASN A 107 -16.102 -0.862 2.849 1.00 0.00 O ATOM 450 CB ASN A 107 -14.131 0.327 0.285 1.00 0.00 C ATOM 451 CG ASN A 107 -13.149 1.482 0.242 1.00 0.00 C ATOM 452 OD1 ASN A 107 -13.662 2.700 0.376 1.00 0.00 O flip ATOM 453 ND2 ASN A 107 -11.944 1.282 0.089 1.00 0.00 N flip ATOM 0 H ASN A 107 -12.347 -1.295 0.828 1.00 0.00 H new ATOM 0 HA ASN A 107 -13.916 0.285 2.424 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -13.911 -0.364 -0.529 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -15.140 0.705 0.119 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -11.594 0.329 -0.010 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -11.296 2.069 0.061 1.00 0.00 H new ATOM 460 N THR A 108 -15.780 -2.032 0.953 1.00 0.00 N ATOM 461 CA THR A 108 -17.029 -2.773 1.070 1.00 0.00 C ATOM 462 C THR A 108 -16.776 -4.209 1.513 1.00 0.00 C ATOM 463 O THR A 108 -16.498 -5.083 0.692 1.00 0.00 O ATOM 464 CB THR A 108 -17.799 -2.788 -0.264 1.00 0.00 C ATOM 465 OG1 THR A 108 -19.055 -3.456 -0.097 1.00 0.00 O ATOM 466 CG2 THR A 108 -16.990 -3.481 -1.349 1.00 0.00 C ATOM 0 H THR A 108 -15.226 -2.266 0.129 1.00 0.00 H new ATOM 0 HA THR A 108 -17.630 -2.264 1.823 1.00 0.00 H new ATOM 0 HB THR A 108 -17.974 -1.756 -0.568 1.00 0.00 H new ATOM 0 HG1 THR A 108 -19.539 -3.460 -0.949 1.00 0.00 H new ATOM 0 HG21 THR A 108 -17.555 -3.479 -2.281 1.00 0.00 H new ATOM 0 HG22 THR A 108 -16.048 -2.952 -1.494 1.00 0.00 H new ATOM 0 HG23 THR A 108 -16.787 -4.509 -1.050 1.00 0.00 H new ATOM 474 N SER A 109 -16.875 -4.447 2.817 1.00 0.00 N ATOM 475 CA SER A 109 -16.655 -5.778 3.371 1.00 0.00 C ATOM 476 C SER A 109 -16.956 -5.802 4.866 1.00 0.00 C ATOM 477 O SER A 109 -16.941 -4.766 5.531 1.00 0.00 O ATOM 478 CB SER A 109 -15.212 -6.224 3.123 1.00 0.00 C ATOM 479 OG SER A 109 -15.066 -6.780 1.828 1.00 0.00 O ATOM 0 H SER A 109 -17.106 -3.735 3.510 1.00 0.00 H new ATOM 0 HA SER A 109 -17.334 -6.469 2.871 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.541 -5.373 3.235 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.921 -6.960 3.873 1.00 0.00 H new ATOM 0 HG SER A 109 -15.067 -6.062 1.161 1.00 0.00 H new ATOM 485 N LYS A 110 -17.231 -6.992 5.389 1.00 0.00 N ATOM 486 CA LYS A 110 -17.536 -7.154 6.806 1.00 0.00 C ATOM 487 C LYS A 110 -16.308 -7.632 7.575 1.00 0.00 C ATOM 488 O LYS A 110 -16.006 -7.127 8.656 1.00 0.00 O ATOM 489 CB LYS A 110 -18.686 -8.146 6.991 1.00 0.00 C ATOM 490 CG LYS A 110 -19.987 -7.696 6.350 1.00 0.00 C ATOM 491 CD LYS A 110 -21.189 -8.358 7.003 1.00 0.00 C ATOM 492 CE LYS A 110 -22.466 -8.088 6.223 1.00 0.00 C ATOM 493 NZ LYS A 110 -23.631 -8.818 6.796 1.00 0.00 N ATOM 0 H LYS A 110 -17.249 -7.859 4.852 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.835 -6.183 7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -18.396 -9.108 6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -18.851 -8.303 8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -20.078 -6.613 6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -19.972 -7.935 5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -21.022 -9.433 7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -21.299 -7.989 8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -22.672 -7.018 6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -22.326 -8.385 5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -24.482 -8.608 6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -23.445 -9.841 6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -23.780 -8.516 7.780 1.00 0.00 H new ATOM 507 N SER A 111 -15.605 -8.608 7.010 1.00 0.00 N ATOM 508 CA SER A 111 -14.411 -9.156 7.644 1.00 0.00 C ATOM 509 C SER A 111 -13.229 -9.143 6.680 1.00 0.00 C ATOM 510 O SER A 111 -13.230 -9.845 5.670 1.00 0.00 O ATOM 511 CB SER A 111 -14.675 -10.583 8.127 1.00 0.00 C ATOM 512 OG SER A 111 -15.578 -10.594 9.219 1.00 0.00 O ATOM 0 H SER A 111 -15.841 -9.036 6.115 1.00 0.00 H new ATOM 0 HA SER A 111 -14.164 -8.529 8.501 1.00 0.00 H new ATOM 0 HB2 SER A 111 -15.082 -11.178 7.309 1.00 0.00 H new ATOM 0 HB3 SER A 111 -13.735 -11.049 8.423 1.00 0.00 H new ATOM 0 HG SER A 111 -15.731 -11.518 9.508 1.00 0.00 H new ATOM 518 N ASN A 112 -12.221 -8.338 7.001 1.00 0.00 N ATOM 519 CA ASN A 112 -11.031 -8.232 6.163 1.00 0.00 C ATOM 520 C ASN A 112 -9.962 -9.225 6.610 1.00 0.00 C ATOM 521 O ASN A 112 -8.778 -8.893 6.670 1.00 0.00 O ATOM 522 CB ASN A 112 -10.474 -6.808 6.211 1.00 0.00 C ATOM 523 CG ASN A 112 -10.566 -6.198 7.596 1.00 0.00 C ATOM 524 OD1 ASN A 112 -10.489 -6.901 8.603 1.00 0.00 O ATOM 525 ND2 ASN A 112 -10.732 -4.881 7.652 1.00 0.00 N ATOM 0 H ASN A 112 -12.204 -7.750 7.834 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.315 -8.469 5.138 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -9.433 -6.817 5.889 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -11.020 -6.183 5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -10.801 -4.414 8.556 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -10.791 -4.337 6.791 1.00 0.00 H new ATOM 532 N LYS A 113 -10.387 -10.444 6.921 1.00 0.00 N ATOM 533 CA LYS A 113 -9.467 -11.487 7.360 1.00 0.00 C ATOM 534 C LYS A 113 -8.600 -11.971 6.202 1.00 0.00 C ATOM 535 O LYS A 113 -7.384 -12.106 6.339 1.00 0.00 O ATOM 536 CB LYS A 113 -10.244 -12.663 7.956 1.00 0.00 C ATOM 537 CG LYS A 113 -11.093 -12.285 9.158 1.00 0.00 C ATOM 538 CD LYS A 113 -10.233 -11.959 10.367 1.00 0.00 C ATOM 539 CE LYS A 113 -11.024 -11.210 11.428 1.00 0.00 C ATOM 540 NZ LYS A 113 -11.055 -9.744 11.167 1.00 0.00 N ATOM 0 H LYS A 113 -11.364 -10.735 6.877 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.816 -11.064 8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -10.888 -13.089 7.187 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.540 -13.441 8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -11.714 -11.425 8.910 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -11.768 -13.106 9.401 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -9.835 -12.881 10.791 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -9.379 -11.357 10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -12.043 -11.595 11.460 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -10.583 -11.395 12.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -11.604 -9.270 11.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -10.084 -9.372 11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -11.499 -9.565 10.244 1.00 0.00 H new ATOM 554 N HIS A 114 -9.234 -12.229 5.062 1.00 0.00 N ATOM 555 CA HIS A 114 -8.519 -12.696 3.879 1.00 0.00 C ATOM 556 C HIS A 114 -7.651 -11.585 3.296 1.00 0.00 C ATOM 557 O HIS A 114 -6.697 -11.849 2.563 1.00 0.00 O ATOM 558 CB HIS A 114 -9.507 -13.195 2.824 1.00 0.00 C ATOM 559 CG HIS A 114 -10.825 -12.484 2.855 1.00 0.00 C ATOM 560 ND1 HIS A 114 -11.122 -11.178 3.049 1.00 0.00 N flip ATOM 561 CD2 HIS A 114 -12.031 -13.127 2.673 1.00 0.00 C flip ATOM 562 CE1 HIS A 114 -12.488 -11.056 2.980 1.00 0.00 C flip ATOM 563 NE2 HIS A 114 -13.013 -12.246 2.752 1.00 0.00 N flip ATOM 0 H HIS A 114 -10.240 -12.123 4.932 1.00 0.00 H new ATOM 0 HA HIS A 114 -7.871 -13.520 4.177 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.062 -13.076 1.836 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -9.675 -14.262 2.971 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -12.154 -14.185 2.494 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -13.043 -10.136 3.094 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -14.007 -12.451 2.654 1.00 0.00 H new ATOM 571 N LEU A 115 -7.988 -10.343 3.625 1.00 0.00 N ATOM 572 CA LEU A 115 -7.239 -9.192 3.133 1.00 0.00 C ATOM 573 C LEU A 115 -5.907 -9.056 3.863 1.00 0.00 C ATOM 574 O LEU A 115 -4.844 -9.071 3.243 1.00 0.00 O ATOM 575 CB LEU A 115 -8.061 -7.913 3.306 1.00 0.00 C ATOM 576 CG LEU A 115 -9.503 -7.969 2.802 1.00 0.00 C ATOM 577 CD1 LEU A 115 -10.040 -6.566 2.564 1.00 0.00 C ATOM 578 CD2 LEU A 115 -9.592 -8.799 1.530 1.00 0.00 C ATOM 0 H LEU A 115 -8.775 -10.107 4.230 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.037 -9.347 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.077 -7.656 4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.548 -7.102 2.789 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.116 -8.446 3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.068 -6.626 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.013 -6.003 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -9.424 -6.062 1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.626 -8.828 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.965 -8.351 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.249 -9.814 1.733 1.00 0.00 H new ATOM 590 N TRP A 116 -5.972 -8.926 5.183 1.00 0.00 N ATOM 591 CA TRP A 116 -4.770 -8.790 5.998 1.00 0.00 C ATOM 592 C TRP A 116 -3.910 -10.047 5.914 1.00 0.00 C ATOM 593 O TRP A 116 -2.692 -9.988 6.079 1.00 0.00 O ATOM 594 CB TRP A 116 -5.145 -8.511 7.455 1.00 0.00 C ATOM 595 CG TRP A 116 -5.813 -7.184 7.652 1.00 0.00 C ATOM 596 CD1 TRP A 116 -7.095 -6.965 8.066 1.00 0.00 C ATOM 597 CD2 TRP A 116 -5.231 -5.893 7.441 1.00 0.00 C ATOM 598 NE1 TRP A 116 -7.347 -5.616 8.126 1.00 0.00 N ATOM 599 CE2 TRP A 116 -6.219 -4.936 7.748 1.00 0.00 C ATOM 600 CE3 TRP A 116 -3.973 -5.451 7.025 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -5.985 -3.567 7.650 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -3.742 -4.092 6.928 1.00 0.00 C ATOM 603 CH2 TRP A 116 -4.743 -3.163 7.240 1.00 0.00 C ATOM 0 H TRP A 116 -6.844 -8.912 5.712 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.193 -7.950 5.611 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -5.808 -9.300 7.810 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.245 -8.551 8.069 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -7.807 -7.739 8.311 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -8.230 -5.190 8.406 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -3.194 -6.159 6.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.756 -2.849 7.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -2.773 -3.740 6.606 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -4.531 -2.107 7.155 1.00 0.00 H new ATOM 614 N GLU A 117 -4.552 -11.182 5.655 1.00 0.00 N ATOM 615 CA GLU A 117 -3.844 -12.452 5.550 1.00 0.00 C ATOM 616 C GLU A 117 -3.129 -12.567 4.206 1.00 0.00 C ATOM 617 O GLU A 117 -1.964 -12.956 4.144 1.00 0.00 O ATOM 618 CB GLU A 117 -4.817 -13.620 5.723 1.00 0.00 C ATOM 619 CG GLU A 117 -5.118 -13.951 7.176 1.00 0.00 C ATOM 620 CD GLU A 117 -5.594 -15.379 7.362 1.00 0.00 C ATOM 621 OE1 GLU A 117 -4.823 -16.308 7.045 1.00 0.00 O ATOM 622 OE2 GLU A 117 -6.738 -15.566 7.826 1.00 0.00 O ATOM 0 H GLU A 117 -5.560 -11.248 5.514 1.00 0.00 H new ATOM 0 HA GLU A 117 -3.098 -12.489 6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -5.750 -13.383 5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -4.402 -14.503 5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -4.222 -13.790 7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -5.879 -13.266 7.551 1.00 0.00 H new ATOM 629 N GLN A 118 -3.838 -12.225 3.135 1.00 0.00 N ATOM 630 CA GLN A 118 -3.272 -12.291 1.793 1.00 0.00 C ATOM 631 C GLN A 118 -2.201 -11.222 1.600 1.00 0.00 C ATOM 632 O GLN A 118 -1.240 -11.419 0.857 1.00 0.00 O ATOM 633 CB GLN A 118 -4.372 -12.122 0.744 1.00 0.00 C ATOM 634 CG GLN A 118 -5.095 -13.416 0.407 1.00 0.00 C ATOM 635 CD GLN A 118 -6.124 -13.241 -0.693 1.00 0.00 C ATOM 636 OE1 GLN A 118 -7.394 -13.175 -0.311 1.00 0.00 O flip ATOM 637 NE2 GLN A 118 -5.782 -13.165 -1.873 1.00 0.00 N flip ATOM 0 H GLN A 118 -4.804 -11.900 3.170 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.809 -13.270 1.670 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -5.098 -11.393 1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.935 -11.712 -0.166 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.366 -14.166 0.101 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -5.587 -13.796 1.302 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -4.795 -13.220 -2.122 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.486 -13.047 -2.601 1.00 0.00 H new ATOM 646 N ILE A 119 -2.375 -10.090 2.274 1.00 0.00 N ATOM 647 CA ILE A 119 -1.423 -8.990 2.178 1.00 0.00 C ATOM 648 C ILE A 119 -0.221 -9.222 3.087 1.00 0.00 C ATOM 649 O ILE A 119 0.925 -9.045 2.676 1.00 0.00 O ATOM 650 CB ILE A 119 -2.078 -7.645 2.543 1.00 0.00 C ATOM 651 CG1 ILE A 119 -3.210 -7.322 1.566 1.00 0.00 C ATOM 652 CG2 ILE A 119 -1.039 -6.534 2.545 1.00 0.00 C ATOM 653 CD1 ILE A 119 -4.132 -6.226 2.051 1.00 0.00 C ATOM 0 H ILE A 119 -3.166 -9.911 2.892 1.00 0.00 H new ATOM 0 HA ILE A 119 -1.089 -8.952 1.141 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.500 -7.723 3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.780 -7.027 0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -3.794 -8.225 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.517 -5.589 2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -0.264 -6.762 3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.590 -6.453 1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.910 -6.050 1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -4.591 -6.527 2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.561 -5.310 2.202 1.00 0.00 H new ATOM 665 N SER A 120 -0.492 -9.621 4.326 1.00 0.00 N ATOM 666 CA SER A 120 0.567 -9.875 5.296 1.00 0.00 C ATOM 667 C SER A 120 1.507 -10.969 4.799 1.00 0.00 C ATOM 668 O SER A 120 2.711 -10.932 5.056 1.00 0.00 O ATOM 669 CB SER A 120 -0.033 -10.276 6.645 1.00 0.00 C ATOM 670 OG SER A 120 -0.733 -11.505 6.546 1.00 0.00 O ATOM 0 H SER A 120 -1.436 -9.775 4.682 1.00 0.00 H new ATOM 0 HA SER A 120 1.140 -8.956 5.421 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.760 -10.364 7.388 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.710 -9.495 6.992 1.00 0.00 H new ATOM 0 HG SER A 120 -1.600 -11.354 6.116 1.00 0.00 H new ATOM 676 N SER A 121 0.949 -11.942 4.086 1.00 0.00 N ATOM 677 CA SER A 121 1.735 -13.049 3.556 1.00 0.00 C ATOM 678 C SER A 121 2.492 -12.626 2.300 1.00 0.00 C ATOM 679 O SER A 121 3.695 -12.858 2.178 1.00 0.00 O ATOM 680 CB SER A 121 0.829 -14.242 3.242 1.00 0.00 C ATOM 681 OG SER A 121 0.007 -13.976 2.119 1.00 0.00 O ATOM 0 H SER A 121 -0.045 -11.986 3.862 1.00 0.00 H new ATOM 0 HA SER A 121 2.460 -13.343 4.315 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.439 -15.125 3.050 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.206 -14.467 4.108 1.00 0.00 H new ATOM 0 HG SER A 121 -0.813 -13.527 2.413 1.00 0.00 H new ATOM 687 N LYS A 122 1.777 -12.005 1.368 1.00 0.00 N ATOM 688 CA LYS A 122 2.378 -11.547 0.121 1.00 0.00 C ATOM 689 C LYS A 122 3.636 -10.728 0.392 1.00 0.00 C ATOM 690 O LYS A 122 4.662 -10.914 -0.262 1.00 0.00 O ATOM 691 CB LYS A 122 1.374 -10.711 -0.676 1.00 0.00 C ATOM 692 CG LYS A 122 0.280 -11.536 -1.331 1.00 0.00 C ATOM 693 CD LYS A 122 0.729 -12.092 -2.672 1.00 0.00 C ATOM 694 CE LYS A 122 -0.445 -12.267 -3.624 1.00 0.00 C ATOM 695 NZ LYS A 122 -0.004 -12.321 -5.045 1.00 0.00 N ATOM 0 H LYS A 122 0.780 -11.807 1.453 1.00 0.00 H new ATOM 0 HA LYS A 122 2.656 -12.424 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 122 0.916 -9.978 -0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.908 -10.154 -1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.002 -12.357 -0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.608 -10.919 -1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 122 1.463 -11.421 -3.118 1.00 0.00 H new ATOM 0 HD3 LYS A 122 1.223 -13.052 -2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -0.981 -13.183 -3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -1.145 -11.442 -3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.833 -12.441 -5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 0.485 -11.437 -5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.644 -13.123 -5.177 1.00 0.00 H new ATOM 709 N MET A 123 3.551 -9.823 1.361 1.00 0.00 N ATOM 710 CA MET A 123 4.684 -8.978 1.720 1.00 0.00 C ATOM 711 C MET A 123 5.716 -9.765 2.521 1.00 0.00 C ATOM 712 O MET A 123 6.921 -9.584 2.345 1.00 0.00 O ATOM 713 CB MET A 123 4.210 -7.767 2.526 1.00 0.00 C ATOM 714 CG MET A 123 3.618 -8.131 3.878 1.00 0.00 C ATOM 715 SD MET A 123 4.858 -8.193 5.185 1.00 0.00 S ATOM 716 CE MET A 123 5.373 -6.478 5.245 1.00 0.00 C ATOM 0 H MET A 123 2.709 -9.656 1.912 1.00 0.00 H new ATOM 0 HA MET A 123 5.153 -8.631 0.799 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.051 -7.090 2.677 1.00 0.00 H new ATOM 0 HB3 MET A 123 3.464 -7.224 1.946 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.852 -7.402 4.143 1.00 0.00 H new ATOM 0 HG3 MET A 123 3.124 -9.100 3.805 1.00 0.00 H new ATOM 0 HE1 MET A 123 5.975 -6.310 6.138 1.00 0.00 H new ATOM 0 HE2 MET A 123 5.964 -6.245 4.360 1.00 0.00 H new ATOM 0 HE3 MET A 123 4.493 -5.835 5.274 1.00 0.00 H new ATOM 726 N ARG A 124 5.236 -10.637 3.401 1.00 0.00 N ATOM 727 CA ARG A 124 6.118 -11.450 4.230 1.00 0.00 C ATOM 728 C ARG A 124 7.027 -12.320 3.367 1.00 0.00 C ATOM 729 O ARG A 124 8.222 -12.440 3.633 1.00 0.00 O ATOM 730 CB ARG A 124 5.297 -12.331 5.174 1.00 0.00 C ATOM 731 CG ARG A 124 4.995 -11.674 6.511 1.00 0.00 C ATOM 732 CD ARG A 124 3.946 -12.453 7.290 1.00 0.00 C ATOM 733 NE ARG A 124 4.402 -13.799 7.626 1.00 0.00 N ATOM 734 CZ ARG A 124 5.285 -14.058 8.584 1.00 0.00 C ATOM 735 NH1 ARG A 124 5.805 -13.068 9.296 1.00 0.00 N ATOM 736 NH2 ARG A 124 5.650 -15.309 8.831 1.00 0.00 N ATOM 0 H ARG A 124 4.241 -10.799 3.559 1.00 0.00 H new ATOM 0 HA ARG A 124 6.741 -10.778 4.821 1.00 0.00 H new ATOM 0 HB2 ARG A 124 4.358 -12.594 4.687 1.00 0.00 H new ATOM 0 HB3 ARG A 124 5.836 -13.262 5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 124 5.910 -11.606 7.099 1.00 0.00 H new ATOM 0 HG3 ARG A 124 4.645 -10.655 6.346 1.00 0.00 H new ATOM 0 HD2 ARG A 124 3.700 -11.915 8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.031 -12.517 6.702 1.00 0.00 H new ATOM 0 HE ARG A 124 4.022 -14.583 7.096 1.00 0.00 H new ATOM 0 HH11 ARG A 124 5.527 -12.105 9.109 1.00 0.00 H new ATOM 0 HH12 ARG A 124 6.483 -13.270 10.031 1.00 0.00 H new ATOM 0 HH21 ARG A 124 5.253 -16.073 8.285 1.00 0.00 H new ATOM 0 HH22 ARG A 124 6.328 -15.507 9.567 1.00 0.00 H new ATOM 750 N GLU A 125 6.451 -12.925 2.333 1.00 0.00 N ATOM 751 CA GLU A 125 7.209 -13.785 1.432 1.00 0.00 C ATOM 752 C GLU A 125 8.503 -13.105 0.992 1.00 0.00 C ATOM 753 O GLU A 125 9.571 -13.717 0.994 1.00 0.00 O ATOM 754 CB GLU A 125 6.367 -14.145 0.206 1.00 0.00 C ATOM 755 CG GLU A 125 5.522 -15.394 0.394 1.00 0.00 C ATOM 756 CD GLU A 125 6.334 -16.670 0.285 1.00 0.00 C ATOM 757 OE1 GLU A 125 7.405 -16.639 -0.356 1.00 0.00 O ATOM 758 OE2 GLU A 125 5.898 -17.699 0.842 1.00 0.00 O ATOM 0 H GLU A 125 5.462 -12.835 2.099 1.00 0.00 H new ATOM 0 HA GLU A 125 7.463 -14.698 1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.713 -13.307 -0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.028 -14.289 -0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.039 -15.358 1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 125 4.729 -15.407 -0.354 1.00 0.00 H new ATOM 765 N LYS A 126 8.399 -11.836 0.614 1.00 0.00 N ATOM 766 CA LYS A 126 9.559 -11.071 0.172 1.00 0.00 C ATOM 767 C LYS A 126 10.772 -11.368 1.047 1.00 0.00 C ATOM 768 O LYS A 126 11.905 -11.385 0.568 1.00 0.00 O ATOM 769 CB LYS A 126 9.249 -9.573 0.203 1.00 0.00 C ATOM 770 CG LYS A 126 8.058 -9.180 -0.655 1.00 0.00 C ATOM 771 CD LYS A 126 8.434 -9.092 -2.124 1.00 0.00 C ATOM 772 CE LYS A 126 9.165 -7.796 -2.437 1.00 0.00 C ATOM 773 NZ LYS A 126 9.619 -7.743 -3.854 1.00 0.00 N ATOM 0 H LYS A 126 7.522 -11.315 0.605 1.00 0.00 H new ATOM 0 HA LYS A 126 9.790 -11.367 -0.851 1.00 0.00 H new ATOM 0 HB2 LYS A 126 9.059 -9.271 1.233 1.00 0.00 H new ATOM 0 HB3 LYS A 126 10.127 -9.022 -0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.259 -9.910 -0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.669 -8.219 -0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 126 9.065 -9.940 -2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 126 7.534 -9.160 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 126 8.508 -6.950 -2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 126 10.026 -7.696 -1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 10.113 -6.844 -4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 10.266 -8.535 -4.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 8.795 -7.813 -4.485 1.00 0.00 H new ATOM 787 N GLY A 127 10.526 -11.604 2.332 1.00 0.00 N ATOM 788 CA GLY A 127 11.609 -11.899 3.252 1.00 0.00 C ATOM 789 C GLY A 127 11.559 -11.040 4.500 1.00 0.00 C ATOM 790 O GLY A 127 12.597 -10.651 5.036 1.00 0.00 O ATOM 0 H GLY A 127 9.597 -11.596 2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 127 11.564 -12.950 3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.563 -11.746 2.747 1.00 0.00 H new ATOM 794 N PHE A 128 10.350 -10.742 4.964 1.00 0.00 N ATOM 795 CA PHE A 128 10.169 -9.921 6.155 1.00 0.00 C ATOM 796 C PHE A 128 9.109 -10.521 7.073 1.00 0.00 C ATOM 797 O PHE A 128 7.914 -10.461 6.782 1.00 0.00 O ATOM 798 CB PHE A 128 9.773 -8.496 5.763 1.00 0.00 C ATOM 799 CG PHE A 128 10.652 -7.900 4.700 1.00 0.00 C ATOM 800 CD1 PHE A 128 11.870 -7.328 5.031 1.00 0.00 C ATOM 801 CD2 PHE A 128 10.260 -7.913 3.372 1.00 0.00 C ATOM 802 CE1 PHE A 128 12.680 -6.779 4.055 1.00 0.00 C ATOM 803 CE2 PHE A 128 11.067 -7.365 2.391 1.00 0.00 C ATOM 804 CZ PHE A 128 12.279 -6.799 2.733 1.00 0.00 C ATOM 0 H PHE A 128 9.481 -11.057 4.533 1.00 0.00 H new ATOM 0 HA PHE A 128 11.116 -9.892 6.693 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.741 -8.498 5.411 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.806 -7.862 6.649 1.00 0.00 H new ATOM 0 HD1 PHE A 128 12.190 -7.311 6.062 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.314 -8.356 3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 128 13.626 -6.334 4.326 1.00 0.00 H new ATOM 0 HE2 PHE A 128 10.749 -7.380 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 128 12.912 -6.373 1.969 1.00 0.00 H new ATOM 814 N ASP A 129 9.554 -11.100 8.183 1.00 0.00 N ATOM 815 CA ASP A 129 8.645 -11.711 9.145 1.00 0.00 C ATOM 816 C ASP A 129 7.920 -10.645 9.960 1.00 0.00 C ATOM 817 O ASP A 129 8.402 -10.217 11.010 1.00 0.00 O ATOM 818 CB ASP A 129 9.411 -12.651 10.077 1.00 0.00 C ATOM 819 CG ASP A 129 8.565 -13.125 11.243 1.00 0.00 C ATOM 820 OD1 ASP A 129 7.885 -14.162 11.098 1.00 0.00 O ATOM 821 OD2 ASP A 129 8.583 -12.460 12.300 1.00 0.00 O ATOM 0 H ASP A 129 10.540 -11.159 8.439 1.00 0.00 H new ATOM 0 HA ASP A 129 7.903 -12.287 8.592 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.761 -13.514 9.511 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.295 -12.140 10.457 1.00 0.00 H new ATOM 826 N ARG A 130 6.760 -10.219 9.470 1.00 0.00 N ATOM 827 CA ARG A 130 5.970 -9.201 10.152 1.00 0.00 C ATOM 828 C ARG A 130 4.662 -9.787 10.674 1.00 0.00 C ATOM 829 O ARG A 130 4.020 -10.594 10.001 1.00 0.00 O ATOM 830 CB ARG A 130 5.678 -8.034 9.207 1.00 0.00 C ATOM 831 CG ARG A 130 5.014 -6.849 9.889 1.00 0.00 C ATOM 832 CD ARG A 130 5.970 -6.145 10.839 1.00 0.00 C ATOM 833 NE ARG A 130 6.924 -5.298 10.127 1.00 0.00 N ATOM 834 CZ ARG A 130 8.101 -5.727 9.686 1.00 0.00 C ATOM 835 NH1 ARG A 130 8.469 -6.985 9.884 1.00 0.00 N ATOM 836 NH2 ARG A 130 8.914 -4.896 9.046 1.00 0.00 N ATOM 0 H ARG A 130 6.347 -10.563 8.603 1.00 0.00 H new ATOM 0 HA ARG A 130 6.548 -8.836 11.001 1.00 0.00 H new ATOM 0 HB2 ARG A 130 6.612 -7.704 8.752 1.00 0.00 H new ATOM 0 HB3 ARG A 130 5.036 -8.384 8.399 1.00 0.00 H new ATOM 0 HG2 ARG A 130 4.663 -6.144 9.135 1.00 0.00 H new ATOM 0 HG3 ARG A 130 4.137 -7.189 10.440 1.00 0.00 H new ATOM 0 HD2 ARG A 130 5.400 -5.538 11.542 1.00 0.00 H new ATOM 0 HD3 ARG A 130 6.511 -6.888 11.425 1.00 0.00 H new ATOM 0 HE ARG A 130 6.672 -4.324 9.959 1.00 0.00 H new ATOM 0 HH11 ARG A 130 7.848 -7.627 10.376 1.00 0.00 H new ATOM 0 HH12 ARG A 130 9.374 -7.311 9.544 1.00 0.00 H new ATOM 0 HH21 ARG A 130 8.635 -3.927 8.892 1.00 0.00 H new ATOM 0 HH22 ARG A 130 9.818 -5.226 8.708 1.00 0.00 H new ATOM 850 N SER A 131 4.273 -9.376 11.877 1.00 0.00 N ATOM 851 CA SER A 131 3.044 -9.864 12.491 1.00 0.00 C ATOM 852 C SER A 131 1.824 -9.182 11.880 1.00 0.00 C ATOM 853 O SER A 131 1.916 -8.116 11.271 1.00 0.00 O ATOM 854 CB SER A 131 3.073 -9.624 14.002 1.00 0.00 C ATOM 855 OG SER A 131 3.707 -10.697 14.676 1.00 0.00 O ATOM 0 H SER A 131 4.791 -8.706 12.445 1.00 0.00 H new ATOM 0 HA SER A 131 2.973 -10.935 12.302 1.00 0.00 H new ATOM 0 HB2 SER A 131 3.600 -8.694 14.216 1.00 0.00 H new ATOM 0 HB3 SER A 131 2.055 -9.507 14.375 1.00 0.00 H new ATOM 0 HG SER A 131 3.714 -10.519 15.640 1.00 0.00 H new ATOM 861 N PRO A 132 0.651 -9.812 12.044 1.00 0.00 N ATOM 862 CA PRO A 132 -0.611 -9.285 11.517 1.00 0.00 C ATOM 863 C PRO A 132 -1.069 -8.031 12.254 1.00 0.00 C ATOM 864 O PRO A 132 -1.602 -7.102 11.647 1.00 0.00 O ATOM 865 CB PRO A 132 -1.599 -10.432 11.748 1.00 0.00 C ATOM 866 CG PRO A 132 -1.027 -11.199 12.890 1.00 0.00 C ATOM 867 CD PRO A 132 0.466 -11.086 12.758 1.00 0.00 C ATOM 0 HA PRO A 132 -0.522 -8.984 10.473 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -2.595 -10.056 11.983 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -1.695 -11.057 10.860 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.366 -10.792 13.842 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -1.344 -12.241 12.858 1.00 0.00 H new ATOM 0 HD2 PRO A 132 0.956 -11.075 13.732 1.00 0.00 H new ATOM 0 HD3 PRO A 132 0.884 -11.924 12.200 1.00 0.00 H new ATOM 875 N ASP A 133 -0.858 -8.011 13.565 1.00 0.00 N ATOM 876 CA ASP A 133 -1.248 -6.870 14.385 1.00 0.00 C ATOM 877 C ASP A 133 -0.534 -5.602 13.927 1.00 0.00 C ATOM 878 O ASP A 133 -1.055 -4.497 14.075 1.00 0.00 O ATOM 879 CB ASP A 133 -0.935 -7.142 15.858 1.00 0.00 C ATOM 880 CG ASP A 133 -1.442 -6.043 16.770 1.00 0.00 C ATOM 881 OD1 ASP A 133 -0.699 -5.062 16.985 1.00 0.00 O ATOM 882 OD2 ASP A 133 -2.580 -6.163 17.270 1.00 0.00 O ATOM 0 H ASP A 133 -0.419 -8.772 14.083 1.00 0.00 H new ATOM 0 HA ASP A 133 -2.322 -6.723 14.271 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -1.384 -8.091 16.153 1.00 0.00 H new ATOM 0 HB3 ASP A 133 0.143 -7.247 15.984 1.00 0.00 H new ATOM 887 N MET A 134 0.662 -5.771 13.372 1.00 0.00 N ATOM 888 CA MET A 134 1.447 -4.640 12.892 1.00 0.00 C ATOM 889 C MET A 134 0.763 -3.968 11.705 1.00 0.00 C ATOM 890 O MET A 134 0.245 -2.857 11.823 1.00 0.00 O ATOM 891 CB MET A 134 2.851 -5.099 12.493 1.00 0.00 C ATOM 892 CG MET A 134 3.603 -5.796 13.615 1.00 0.00 C ATOM 893 SD MET A 134 3.876 -4.726 15.039 1.00 0.00 S ATOM 894 CE MET A 134 5.567 -4.207 14.754 1.00 0.00 C ATOM 0 H MET A 134 1.108 -6.679 13.244 1.00 0.00 H new ATOM 0 HA MET A 134 1.526 -3.915 13.702 1.00 0.00 H new ATOM 0 HB2 MET A 134 2.775 -5.776 11.642 1.00 0.00 H new ATOM 0 HB3 MET A 134 3.427 -4.235 12.162 1.00 0.00 H new ATOM 0 HG2 MET A 134 3.043 -6.677 13.930 1.00 0.00 H new ATOM 0 HG3 MET A 134 4.564 -6.147 13.240 1.00 0.00 H new ATOM 0 HE1 MET A 134 5.882 -3.538 15.555 1.00 0.00 H new ATOM 0 HE2 MET A 134 6.218 -5.081 14.735 1.00 0.00 H new ATOM 0 HE3 MET A 134 5.632 -3.686 13.799 1.00 0.00 H new ATOM 904 N CYS A 135 0.767 -4.647 10.564 1.00 0.00 N ATOM 905 CA CYS A 135 0.148 -4.114 9.355 1.00 0.00 C ATOM 906 C CYS A 135 -1.194 -3.462 9.673 1.00 0.00 C ATOM 907 O CYS A 135 -1.495 -2.369 9.193 1.00 0.00 O ATOM 908 CB CYS A 135 -0.044 -5.226 8.323 1.00 0.00 C ATOM 909 SG CYS A 135 -0.633 -6.787 9.021 1.00 0.00 S ATOM 0 H CYS A 135 1.192 -5.567 10.450 1.00 0.00 H new ATOM 0 HA CYS A 135 0.811 -3.355 8.941 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -0.753 -4.888 7.568 1.00 0.00 H new ATOM 0 HB3 CYS A 135 0.904 -5.402 7.814 1.00 0.00 H new ATOM 0 HG CYS A 135 -0.869 -6.633 10.290 1.00 0.00 H new ATOM 915 N THR A 136 -1.997 -4.140 10.487 1.00 0.00 N ATOM 916 CA THR A 136 -3.308 -3.629 10.868 1.00 0.00 C ATOM 917 C THR A 136 -3.189 -2.282 11.572 1.00 0.00 C ATOM 918 O THR A 136 -3.701 -1.271 11.091 1.00 0.00 O ATOM 919 CB THR A 136 -4.049 -4.614 11.790 1.00 0.00 C ATOM 920 OG1 THR A 136 -4.158 -5.893 11.154 1.00 0.00 O ATOM 921 CG2 THR A 136 -5.437 -4.094 12.134 1.00 0.00 C ATOM 0 H THR A 136 -1.762 -5.045 10.895 1.00 0.00 H new ATOM 0 HA THR A 136 -3.879 -3.506 9.948 1.00 0.00 H new ATOM 0 HB THR A 136 -3.477 -4.714 12.712 1.00 0.00 H new ATOM 0 HG1 THR A 136 -3.326 -6.394 11.282 1.00 0.00 H new ATOM 0 HG21 THR A 136 -5.941 -4.807 12.786 1.00 0.00 H new ATOM 0 HG22 THR A 136 -5.350 -3.134 12.644 1.00 0.00 H new ATOM 0 HG23 THR A 136 -6.015 -3.968 11.219 1.00 0.00 H new ATOM 929 N ASP A 137 -2.510 -2.276 12.714 1.00 0.00 N ATOM 930 CA ASP A 137 -2.322 -1.052 13.485 1.00 0.00 C ATOM 931 C ASP A 137 -1.662 0.029 12.635 1.00 0.00 C ATOM 932 O ASP A 137 -2.237 1.094 12.409 1.00 0.00 O ATOM 933 CB ASP A 137 -1.474 -1.331 14.727 1.00 0.00 C ATOM 934 CG ASP A 137 -1.444 -0.156 15.684 1.00 0.00 C ATOM 935 OD1 ASP A 137 -2.531 0.305 16.092 1.00 0.00 O ATOM 936 OD2 ASP A 137 -0.334 0.303 16.025 1.00 0.00 O ATOM 0 H ASP A 137 -2.081 -3.104 13.126 1.00 0.00 H new ATOM 0 HA ASP A 137 -3.303 -0.694 13.798 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -1.868 -2.206 15.243 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -0.456 -1.573 14.421 1.00 0.00 H new ATOM 941 N LYS A 138 -0.450 -0.251 12.167 1.00 0.00 N ATOM 942 CA LYS A 138 0.289 0.697 11.342 1.00 0.00 C ATOM 943 C LYS A 138 -0.616 1.319 10.284 1.00 0.00 C ATOM 944 O LYS A 138 -0.717 2.542 10.182 1.00 0.00 O ATOM 945 CB LYS A 138 1.475 0.002 10.669 1.00 0.00 C ATOM 946 CG LYS A 138 2.191 0.871 9.650 1.00 0.00 C ATOM 947 CD LYS A 138 3.148 1.843 10.320 1.00 0.00 C ATOM 948 CE LYS A 138 3.881 2.697 9.297 1.00 0.00 C ATOM 949 NZ LYS A 138 4.626 3.815 9.940 1.00 0.00 N ATOM 0 H LYS A 138 0.041 -1.127 12.345 1.00 0.00 H new ATOM 0 HA LYS A 138 0.660 1.491 11.989 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.187 -0.307 11.435 1.00 0.00 H new ATOM 0 HB3 LYS A 138 1.123 -0.905 10.177 1.00 0.00 H new ATOM 0 HG2 LYS A 138 2.742 0.238 8.954 1.00 0.00 H new ATOM 0 HG3 LYS A 138 1.458 1.426 9.065 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.595 2.487 11.004 1.00 0.00 H new ATOM 0 HD3 LYS A 138 3.871 1.289 10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.576 2.074 8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 138 3.165 3.102 8.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 5.112 4.374 9.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 3.960 4.425 10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 5.327 3.429 10.604 1.00 0.00 H new ATOM 963 N TRP A 139 -1.271 0.471 9.500 1.00 0.00 N ATOM 964 CA TRP A 139 -2.169 0.939 8.450 1.00 0.00 C ATOM 965 C TRP A 139 -3.099 2.028 8.974 1.00 0.00 C ATOM 966 O TRP A 139 -3.175 3.118 8.406 1.00 0.00 O ATOM 967 CB TRP A 139 -2.990 -0.226 7.896 1.00 0.00 C ATOM 968 CG TRP A 139 -3.845 0.153 6.725 1.00 0.00 C ATOM 969 CD1 TRP A 139 -5.210 0.147 6.671 1.00 0.00 C ATOM 970 CD2 TRP A 139 -3.393 0.593 5.440 1.00 0.00 C ATOM 971 NE1 TRP A 139 -5.633 0.557 5.429 1.00 0.00 N ATOM 972 CE2 TRP A 139 -4.538 0.837 4.656 1.00 0.00 C ATOM 973 CE3 TRP A 139 -2.132 0.807 4.876 1.00 0.00 C ATOM 974 CZ2 TRP A 139 -4.457 1.281 3.339 1.00 0.00 C ATOM 975 CZ3 TRP A 139 -2.054 1.248 3.568 1.00 0.00 C ATOM 976 CH2 TRP A 139 -3.210 1.482 2.812 1.00 0.00 C ATOM 0 H TRP A 139 -1.198 -0.544 9.571 1.00 0.00 H new ATOM 0 HA TRP A 139 -1.562 1.360 7.649 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -2.314 -1.028 7.599 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -3.626 -0.622 8.688 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -5.861 -0.138 7.484 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -6.605 0.639 5.131 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -1.235 0.631 5.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -5.347 1.460 2.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.085 1.415 3.121 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -3.115 1.828 1.793 1.00 0.00 H new ATOM 987 N ARG A 140 -3.803 1.727 10.060 1.00 0.00 N ATOM 988 CA ARG A 140 -4.728 2.681 10.660 1.00 0.00 C ATOM 989 C ARG A 140 -4.050 4.029 10.884 1.00 0.00 C ATOM 990 O ARG A 140 -4.587 5.074 10.519 1.00 0.00 O ATOM 991 CB ARG A 140 -5.262 2.140 11.987 1.00 0.00 C ATOM 992 CG ARG A 140 -6.535 1.321 11.843 1.00 0.00 C ATOM 993 CD ARG A 140 -6.240 -0.083 11.338 1.00 0.00 C ATOM 994 NE ARG A 140 -7.452 -0.890 11.225 1.00 0.00 N ATOM 995 CZ ARG A 140 -8.399 -0.670 10.320 1.00 0.00 C ATOM 996 NH1 ARG A 140 -8.275 0.326 9.454 1.00 0.00 N ATOM 997 NH2 ARG A 140 -9.473 -1.448 10.281 1.00 0.00 N ATOM 0 H ARG A 140 -3.751 0.830 10.543 1.00 0.00 H new ATOM 0 HA ARG A 140 -5.561 2.823 9.972 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -4.494 1.523 12.454 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -5.452 2.976 12.660 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -7.043 1.263 12.806 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -7.215 1.821 11.154 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -5.752 -0.023 10.365 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -5.540 -0.572 12.016 1.00 0.00 H new ATOM 0 HE ARG A 140 -7.578 -1.665 11.876 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -7.451 0.926 9.481 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -9.004 0.492 8.760 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -9.571 -2.215 10.946 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -10.200 -1.279 9.586 1.00 0.00 H new ATOM 1011 N ASN A 141 -2.866 3.997 11.487 1.00 0.00 N ATOM 1012 CA ASN A 141 -2.114 5.217 11.761 1.00 0.00 C ATOM 1013 C ASN A 141 -1.774 5.948 10.466 1.00 0.00 C ATOM 1014 O ASN A 141 -1.952 7.163 10.361 1.00 0.00 O ATOM 1015 CB ASN A 141 -0.831 4.888 12.526 1.00 0.00 C ATOM 1016 CG ASN A 141 -0.304 6.076 13.308 1.00 0.00 C ATOM 1017 OD1 ASN A 141 -0.978 7.098 13.435 1.00 0.00 O ATOM 1018 ND2 ASN A 141 0.907 5.946 13.837 1.00 0.00 N ATOM 0 H ASN A 141 -2.406 3.140 11.795 1.00 0.00 H new ATOM 0 HA ASN A 141 -2.737 5.869 12.373 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -1.021 4.061 13.210 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -0.068 4.551 11.824 1.00 0.00 H new ATOM 0 HD21 ASN A 141 1.314 6.712 14.374 1.00 0.00 H new ATOM 0 HD22 ASN A 141 1.430 5.080 13.706 1.00 0.00 H new ATOM 1025 N LEU A 142 -1.285 5.202 9.482 1.00 0.00 N ATOM 1026 CA LEU A 142 -0.921 5.779 8.192 1.00 0.00 C ATOM 1027 C LEU A 142 -2.001 6.737 7.700 1.00 0.00 C ATOM 1028 O LEU A 142 -1.712 7.873 7.322 1.00 0.00 O ATOM 1029 CB LEU A 142 -0.697 4.671 7.161 1.00 0.00 C ATOM 1030 CG LEU A 142 0.562 3.824 7.348 1.00 0.00 C ATOM 1031 CD1 LEU A 142 0.445 2.518 6.578 1.00 0.00 C ATOM 1032 CD2 LEU A 142 1.796 4.598 6.907 1.00 0.00 C ATOM 0 H LEU A 142 -1.131 4.196 9.552 1.00 0.00 H new ATOM 0 HA LEU A 142 0.005 6.340 8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -1.562 4.008 7.176 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -0.661 5.126 6.171 1.00 0.00 H new ATOM 0 HG LEU A 142 0.665 3.589 8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.350 1.928 6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.416 1.957 6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 142 0.317 2.732 5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 142 2.683 3.980 7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.702 4.864 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.889 5.506 7.503 1.00 0.00 H new ATOM 1044 N LEU A 143 -3.245 6.273 7.709 1.00 0.00 N ATOM 1045 CA LEU A 143 -4.370 7.090 7.266 1.00 0.00 C ATOM 1046 C LEU A 143 -4.501 8.346 8.122 1.00 0.00 C ATOM 1047 O LEU A 143 -4.574 9.459 7.602 1.00 0.00 O ATOM 1048 CB LEU A 143 -5.667 6.281 7.323 1.00 0.00 C ATOM 1049 CG LEU A 143 -5.651 4.934 6.601 1.00 0.00 C ATOM 1050 CD1 LEU A 143 -6.845 4.090 7.018 1.00 0.00 C ATOM 1051 CD2 LEU A 143 -5.641 5.138 5.093 1.00 0.00 C ATOM 0 H LEU A 143 -3.501 5.335 8.018 1.00 0.00 H new ATOM 0 HA LEU A 143 -4.184 7.393 6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -5.917 6.106 8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -6.468 6.887 6.901 1.00 0.00 H new ATOM 0 HG LEU A 143 -4.741 4.403 6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.816 3.135 6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.809 3.915 8.093 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.767 4.614 6.767 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -5.630 4.169 4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -6.533 5.689 4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -4.753 5.703 4.808 1.00 0.00 H new ATOM 1063 N LYS A 144 -4.529 8.159 9.437 1.00 0.00 N ATOM 1064 CA LYS A 144 -4.648 9.275 10.367 1.00 0.00 C ATOM 1065 C LYS A 144 -3.807 10.461 9.904 1.00 0.00 C ATOM 1066 O LYS A 144 -4.292 11.590 9.841 1.00 0.00 O ATOM 1067 CB LYS A 144 -4.214 8.846 11.770 1.00 0.00 C ATOM 1068 CG LYS A 144 -5.153 7.841 12.415 1.00 0.00 C ATOM 1069 CD LYS A 144 -4.924 7.747 13.915 1.00 0.00 C ATOM 1070 CE LYS A 144 -6.150 7.204 14.633 1.00 0.00 C ATOM 1071 NZ LYS A 144 -6.015 7.304 16.113 1.00 0.00 N ATOM 0 H LYS A 144 -4.471 7.244 9.883 1.00 0.00 H new ATOM 0 HA LYS A 144 -5.694 9.582 10.395 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -3.214 8.415 11.716 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -4.147 9.728 12.406 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -6.186 8.130 12.221 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -5.006 6.861 11.961 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -4.069 7.101 14.114 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -4.677 8.733 14.309 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -7.033 7.755 14.311 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -6.304 6.162 14.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -6.870 6.924 16.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -5.187 6.757 16.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -5.894 8.301 16.384 1.00 0.00 H new ATOM 1085 N GLU A 145 -2.545 10.195 9.580 1.00 0.00 N ATOM 1086 CA GLU A 145 -1.639 11.241 9.122 1.00 0.00 C ATOM 1087 C GLU A 145 -2.102 11.817 7.787 1.00 0.00 C ATOM 1088 O GLU A 145 -2.228 13.032 7.632 1.00 0.00 O ATOM 1089 CB GLU A 145 -0.217 10.691 8.987 1.00 0.00 C ATOM 1090 CG GLU A 145 0.455 10.409 10.320 1.00 0.00 C ATOM 1091 CD GLU A 145 0.889 11.674 11.035 1.00 0.00 C ATOM 1092 OE1 GLU A 145 1.940 12.236 10.662 1.00 0.00 O ATOM 1093 OE2 GLU A 145 0.177 12.102 11.967 1.00 0.00 O ATOM 0 H GLU A 145 -2.128 9.265 9.626 1.00 0.00 H new ATOM 0 HA GLU A 145 -1.644 12.040 9.863 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -0.246 9.771 8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 145 0.388 11.405 8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -0.232 9.853 10.958 1.00 0.00 H new ATOM 0 HG3 GLU A 145 1.324 9.772 10.157 1.00 0.00 H new ATOM 1100 N PHE A 146 -2.352 10.935 6.824 1.00 0.00 N ATOM 1101 CA PHE A 146 -2.800 11.355 5.501 1.00 0.00 C ATOM 1102 C PHE A 146 -3.977 12.319 5.606 1.00 0.00 C ATOM 1103 O PHE A 146 -4.028 13.334 4.910 1.00 0.00 O ATOM 1104 CB PHE A 146 -3.196 10.137 4.664 1.00 0.00 C ATOM 1105 CG PHE A 146 -2.021 9.359 4.144 1.00 0.00 C ATOM 1106 CD1 PHE A 146 -0.980 10.001 3.493 1.00 0.00 C ATOM 1107 CD2 PHE A 146 -1.957 7.984 4.307 1.00 0.00 C ATOM 1108 CE1 PHE A 146 0.102 9.288 3.014 1.00 0.00 C ATOM 1109 CE2 PHE A 146 -0.877 7.265 3.831 1.00 0.00 C ATOM 1110 CZ PHE A 146 0.154 7.918 3.183 1.00 0.00 C ATOM 0 H PHE A 146 -2.252 9.926 6.935 1.00 0.00 H new ATOM 0 HA PHE A 146 -1.974 11.871 5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -3.819 9.478 5.268 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.804 10.467 3.822 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -1.015 11.072 3.358 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -2.761 7.468 4.812 1.00 0.00 H new ATOM 0 HE1 PHE A 146 0.906 9.801 2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.839 6.194 3.965 1.00 0.00 H new ATOM 0 HZ PHE A 146 0.999 7.358 2.809 1.00 0.00 H new