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 109 SER OG : rot -104:sc= 0 USER MOD Set 1.2: A 112 ASN : amide:sc= -0.195 K(o=-2.7,f=-0.74) USER MOD Set 1.3: A 114 HIS : no HD1:sc= -2.48 K(o=-2.7,f=-0.74) USER MOD Single : A 89 GLN : amide:sc= -0.0148 K(o=-0.015,f=-1.3) USER MOD Single : A 92 THR OG1 : rot 74:sc= 0.716 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -144:sc= 0 (180deg=-0.0151) USER MOD Single : A 102 MET CE :methyl 170:sc= -0.221 (180deg=-0.381) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0.37) USER MOD Single : A 108 THR OG1 : rot -58:sc= 0.471 USER MOD Single : A 110 LYS NZ :NH3+ -160:sc= -0.442 (180deg=-1.22) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot -160:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 159:sc= -0.0497 (180deg=-0.378) 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 161:sc= 0 (180deg=-0.344) USER MOD Single : A 135 CYS SG : rot 180:sc= -0.194 USER MOD Single : A 136 THR OG1 : rot -45:sc= 0.119 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -0.0508 K(o=-0.051,f=-1.4) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 9.549 0.633 10.468 1.00 0.00 N ATOM 109 CA TRP A 87 9.131 0.085 9.183 1.00 0.00 C ATOM 110 C TRP A 87 10.018 0.604 8.056 1.00 0.00 C ATOM 111 O TRP A 87 9.995 1.792 7.732 1.00 0.00 O ATOM 112 CB TRP A 87 7.670 0.440 8.904 1.00 0.00 C ATOM 113 CG TRP A 87 6.699 -0.545 9.481 1.00 0.00 C ATOM 114 CD1 TRP A 87 6.464 -0.784 10.805 1.00 0.00 C ATOM 115 CD2 TRP A 87 5.834 -1.423 8.753 1.00 0.00 C ATOM 116 NE1 TRP A 87 5.505 -1.759 10.944 1.00 0.00 N ATOM 117 CE2 TRP A 87 5.102 -2.166 9.700 1.00 0.00 C ATOM 118 CE3 TRP A 87 5.605 -1.653 7.394 1.00 0.00 C ATOM 119 CZ2 TRP A 87 4.160 -3.122 9.328 1.00 0.00 C ATOM 120 CZ3 TRP A 87 4.670 -2.602 7.027 1.00 0.00 C ATOM 121 CH2 TRP A 87 3.956 -3.326 7.990 1.00 0.00 C ATOM 0 HA TRP A 87 9.231 -0.999 9.229 1.00 0.00 H new ATOM 0 HB2 TRP A 87 7.459 1.429 9.312 1.00 0.00 H new ATOM 0 HB3 TRP A 87 7.518 0.501 7.826 1.00 0.00 H new ATOM 0 HD1 TRP A 87 6.959 -0.281 11.623 1.00 0.00 H new ATOM 0 HE1 TRP A 87 5.151 -2.121 11.830 1.00 0.00 H new ATOM 0 HE3 TRP A 87 6.149 -1.099 6.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 3.610 -3.683 10.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 4.487 -2.789 5.979 1.00 0.00 H new ATOM 0 HH2 TRP A 87 3.230 -4.059 7.671 1.00 0.00 H new ATOM 132 N VAL A 88 10.798 -0.293 7.462 1.00 0.00 N ATOM 133 CA VAL A 88 11.691 0.075 6.370 1.00 0.00 C ATOM 134 C VAL A 88 10.906 0.564 5.158 1.00 0.00 C ATOM 135 O VAL A 88 9.748 0.193 4.967 1.00 0.00 O ATOM 136 CB VAL A 88 12.581 -1.109 5.948 1.00 0.00 C ATOM 137 CG1 VAL A 88 13.627 -1.398 7.014 1.00 0.00 C ATOM 138 CG2 VAL A 88 11.731 -2.342 5.676 1.00 0.00 C ATOM 0 H VAL A 88 10.830 -1.280 7.719 1.00 0.00 H new ATOM 0 HA VAL A 88 12.324 0.882 6.739 1.00 0.00 H new ATOM 0 HB VAL A 88 13.100 -0.842 5.027 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.246 -2.238 6.698 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.254 -0.518 7.156 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.131 -1.646 7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.375 -3.170 5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.184 -2.614 6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.024 -2.127 4.875 1.00 0.00 H new ATOM 148 N GLN A 89 11.544 1.397 4.342 1.00 0.00 N ATOM 149 CA GLN A 89 10.904 1.936 3.148 1.00 0.00 C ATOM 150 C GLN A 89 10.281 0.821 2.314 1.00 0.00 C ATOM 151 O GLN A 89 9.197 0.984 1.753 1.00 0.00 O ATOM 152 CB GLN A 89 11.918 2.712 2.307 1.00 0.00 C ATOM 153 CG GLN A 89 11.279 3.677 1.321 1.00 0.00 C ATOM 154 CD GLN A 89 12.267 4.213 0.304 1.00 0.00 C ATOM 155 OE1 GLN A 89 13.421 3.784 0.257 1.00 0.00 O ATOM 156 NE2 GLN A 89 11.820 5.156 -0.517 1.00 0.00 N ATOM 0 H GLN A 89 12.503 1.713 4.486 1.00 0.00 H new ATOM 0 HA GLN A 89 10.111 2.614 3.465 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.578 3.269 2.972 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.540 2.005 1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.465 3.172 0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 89 10.839 4.511 1.868 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.856 5.482 -0.443 1.00 0.00 H new ATOM 0 HE22 GLN A 89 12.440 5.554 -1.222 1.00 0.00 H new ATOM 165 N ASP A 90 10.973 -0.310 2.236 1.00 0.00 N ATOM 166 CA ASP A 90 10.487 -1.453 1.471 1.00 0.00 C ATOM 167 C ASP A 90 9.156 -1.952 2.026 1.00 0.00 C ATOM 168 O ASP A 90 8.144 -1.953 1.328 1.00 0.00 O ATOM 169 CB ASP A 90 11.518 -2.582 1.491 1.00 0.00 C ATOM 170 CG ASP A 90 12.567 -2.427 0.408 1.00 0.00 C ATOM 171 OD1 ASP A 90 12.225 -2.604 -0.780 1.00 0.00 O ATOM 172 OD2 ASP A 90 13.731 -2.129 0.748 1.00 0.00 O ATOM 0 H ASP A 90 11.872 -0.460 2.693 1.00 0.00 H new ATOM 0 HA ASP A 90 10.332 -1.131 0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 90 12.007 -2.607 2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.009 -3.537 1.365 1.00 0.00 H new ATOM 177 N GLU A 91 9.168 -2.377 3.286 1.00 0.00 N ATOM 178 CA GLU A 91 7.962 -2.881 3.933 1.00 0.00 C ATOM 179 C GLU A 91 6.830 -1.862 3.840 1.00 0.00 C ATOM 180 O GLU A 91 5.675 -2.220 3.604 1.00 0.00 O ATOM 181 CB GLU A 91 8.245 -3.214 5.399 1.00 0.00 C ATOM 182 CG GLU A 91 9.142 -4.426 5.586 1.00 0.00 C ATOM 183 CD GLU A 91 9.271 -4.838 7.040 1.00 0.00 C ATOM 184 OE1 GLU A 91 9.878 -4.077 7.821 1.00 0.00 O ATOM 185 OE2 GLU A 91 8.764 -5.923 7.395 1.00 0.00 O ATOM 0 H GLU A 91 9.998 -2.382 3.878 1.00 0.00 H new ATOM 0 HA GLU A 91 7.654 -3.789 3.415 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.710 -2.351 5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.299 -3.390 5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.743 -5.261 5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.132 -4.206 5.185 1.00 0.00 H new ATOM 192 N THR A 92 7.168 -0.590 4.029 1.00 0.00 N ATOM 193 CA THR A 92 6.181 0.480 3.969 1.00 0.00 C ATOM 194 C THR A 92 5.609 0.622 2.564 1.00 0.00 C ATOM 195 O THR A 92 4.425 0.371 2.337 1.00 0.00 O ATOM 196 CB THR A 92 6.787 1.828 4.403 1.00 0.00 C ATOM 197 OG1 THR A 92 7.418 1.693 5.681 1.00 0.00 O ATOM 198 CG2 THR A 92 5.716 2.906 4.472 1.00 0.00 C ATOM 0 H THR A 92 8.119 -0.276 4.225 1.00 0.00 H new ATOM 0 HA THR A 92 5.381 0.211 4.658 1.00 0.00 H new ATOM 0 HB THR A 92 7.529 2.123 3.661 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.258 1.198 5.581 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.168 3.849 4.781 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.258 3.027 3.490 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.953 2.616 5.195 1.00 0.00 H new ATOM 206 N ARG A 93 6.456 1.025 1.623 1.00 0.00 N ATOM 207 CA ARG A 93 6.034 1.201 0.238 1.00 0.00 C ATOM 208 C ARG A 93 5.237 -0.008 -0.245 1.00 0.00 C ATOM 209 O ARG A 93 4.093 0.124 -0.678 1.00 0.00 O ATOM 210 CB ARG A 93 7.249 1.418 -0.665 1.00 0.00 C ATOM 211 CG ARG A 93 6.901 1.523 -2.140 1.00 0.00 C ATOM 212 CD ARG A 93 8.138 1.773 -2.988 1.00 0.00 C ATOM 213 NE ARG A 93 7.889 1.525 -4.406 1.00 0.00 N ATOM 214 CZ ARG A 93 8.853 1.314 -5.296 1.00 0.00 C ATOM 215 NH1 ARG A 93 10.123 1.320 -4.916 1.00 0.00 N ATOM 216 NH2 ARG A 93 8.546 1.096 -6.568 1.00 0.00 N ATOM 0 H ARG A 93 7.439 1.236 1.794 1.00 0.00 H new ATOM 0 HA ARG A 93 5.393 2.081 0.189 1.00 0.00 H new ATOM 0 HB2 ARG A 93 7.763 2.328 -0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.948 0.594 -0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.415 0.604 -2.466 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.186 2.332 -2.290 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.468 2.803 -2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.949 1.131 -2.645 1.00 0.00 H new ATOM 0 HE ARG A 93 6.922 1.513 -4.731 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.362 1.487 -3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.861 1.158 -5.601 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.570 1.090 -6.863 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.286 0.934 -7.251 1.00 0.00 H new ATOM 230 N SER A 94 5.851 -1.184 -0.167 1.00 0.00 N ATOM 231 CA SER A 94 5.201 -2.416 -0.600 1.00 0.00 C ATOM 232 C SER A 94 3.841 -2.577 0.072 1.00 0.00 C ATOM 233 O SER A 94 2.809 -2.642 -0.597 1.00 0.00 O ATOM 234 CB SER A 94 6.086 -3.623 -0.283 1.00 0.00 C ATOM 235 OG SER A 94 7.062 -3.819 -1.292 1.00 0.00 O ATOM 0 H SER A 94 6.797 -1.310 0.192 1.00 0.00 H new ATOM 0 HA SER A 94 5.050 -2.359 -1.678 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.577 -3.475 0.679 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.469 -4.517 -0.191 1.00 0.00 H new ATOM 0 HG SER A 94 7.616 -4.595 -1.065 1.00 0.00 H new ATOM 241 N LEU A 95 3.848 -2.642 1.399 1.00 0.00 N ATOM 242 CA LEU A 95 2.615 -2.796 2.163 1.00 0.00 C ATOM 243 C LEU A 95 1.469 -2.032 1.508 1.00 0.00 C ATOM 244 O LEU A 95 0.358 -2.548 1.382 1.00 0.00 O ATOM 245 CB LEU A 95 2.817 -2.305 3.598 1.00 0.00 C ATOM 246 CG LEU A 95 1.544 -2.062 4.410 1.00 0.00 C ATOM 247 CD1 LEU A 95 0.910 -3.384 4.817 1.00 0.00 C ATOM 248 CD2 LEU A 95 1.847 -1.214 5.636 1.00 0.00 C ATOM 0 H LEU A 95 4.693 -2.590 1.968 1.00 0.00 H new ATOM 0 HA LEU A 95 2.357 -3.855 2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.428 -3.036 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.386 -1.376 3.566 1.00 0.00 H new ATOM 0 HG LEU A 95 0.835 -1.520 3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.005 -3.191 5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.656 -3.956 3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.614 -3.953 5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.930 -1.051 6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.574 -1.729 6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.255 -0.253 5.322 1.00 0.00 H new ATOM 260 N ILE A 96 1.747 -0.801 1.092 1.00 0.00 N ATOM 261 CA ILE A 96 0.740 0.032 0.447 1.00 0.00 C ATOM 262 C ILE A 96 0.311 -0.560 -0.891 1.00 0.00 C ATOM 263 O ILE A 96 -0.876 -0.776 -1.134 1.00 0.00 O ATOM 264 CB ILE A 96 1.257 1.465 0.219 1.00 0.00 C ATOM 265 CG1 ILE A 96 1.612 2.121 1.555 1.00 0.00 C ATOM 266 CG2 ILE A 96 0.218 2.292 -0.523 1.00 0.00 C ATOM 267 CD1 ILE A 96 2.472 3.357 1.412 1.00 0.00 C ATOM 0 H ILE A 96 2.661 -0.359 1.190 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.118 0.066 1.118 1.00 0.00 H new ATOM 0 HB ILE A 96 2.158 1.417 -0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.692 2.387 2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.134 1.396 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.599 3.302 -0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.009 1.832 -1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.699 2.335 0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.684 3.769 2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.408 3.094 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.944 4.100 0.814 1.00 0.00 H new ATOM 279 N MET A 97 1.286 -0.821 -1.756 1.00 0.00 N ATOM 280 CA MET A 97 1.009 -1.392 -3.069 1.00 0.00 C ATOM 281 C MET A 97 0.007 -2.537 -2.964 1.00 0.00 C ATOM 282 O MET A 97 -1.003 -2.558 -3.668 1.00 0.00 O ATOM 283 CB MET A 97 2.303 -1.889 -3.716 1.00 0.00 C ATOM 284 CG MET A 97 2.277 -1.851 -5.236 1.00 0.00 C ATOM 285 SD MET A 97 2.867 -0.283 -5.902 1.00 0.00 S ATOM 286 CE MET A 97 4.639 -0.490 -5.736 1.00 0.00 C ATOM 0 H MET A 97 2.274 -0.646 -1.571 1.00 0.00 H new ATOM 0 HA MET A 97 0.576 -0.610 -3.693 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.134 -1.281 -3.360 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.493 -2.911 -3.390 1.00 0.00 H new ATOM 0 HG2 MET A 97 2.892 -2.662 -5.626 1.00 0.00 H new ATOM 0 HG3 MET A 97 1.259 -2.028 -5.583 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.094 0.466 -5.477 1.00 0.00 H new ATOM 0 HE2 MET A 97 4.848 -1.216 -4.950 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.054 -0.846 -6.679 1.00 0.00 H new ATOM 296 N PHE A 98 0.293 -3.488 -2.081 1.00 0.00 N ATOM 297 CA PHE A 98 -0.583 -4.638 -1.885 1.00 0.00 C ATOM 298 C PHE A 98 -1.989 -4.190 -1.499 1.00 0.00 C ATOM 299 O PHE A 98 -2.975 -4.610 -2.105 1.00 0.00 O ATOM 300 CB PHE A 98 -0.014 -5.561 -0.805 1.00 0.00 C ATOM 301 CG PHE A 98 1.418 -5.945 -1.039 1.00 0.00 C ATOM 302 CD1 PHE A 98 1.834 -6.401 -2.279 1.00 0.00 C ATOM 303 CD2 PHE A 98 2.350 -5.850 -0.018 1.00 0.00 C ATOM 304 CE1 PHE A 98 3.152 -6.757 -2.496 1.00 0.00 C ATOM 305 CE2 PHE A 98 3.670 -6.204 -0.229 1.00 0.00 C ATOM 306 CZ PHE A 98 4.071 -6.657 -1.470 1.00 0.00 C ATOM 0 H PHE A 98 1.124 -3.485 -1.490 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.641 -5.185 -2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.096 -5.068 0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.621 -6.465 -0.754 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.120 -6.479 -3.086 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.042 -5.495 0.954 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.463 -7.113 -3.467 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.386 -6.126 0.576 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.102 -6.933 -1.638 1.00 0.00 H new ATOM 316 N ARG A 99 -2.074 -3.335 -0.485 1.00 0.00 N ATOM 317 CA ARG A 99 -3.359 -2.831 -0.016 1.00 0.00 C ATOM 318 C ARG A 99 -4.082 -2.071 -1.123 1.00 0.00 C ATOM 319 O ARG A 99 -5.121 -2.512 -1.617 1.00 0.00 O ATOM 320 CB ARG A 99 -3.162 -1.920 1.197 1.00 0.00 C ATOM 321 CG ARG A 99 -4.448 -1.283 1.696 1.00 0.00 C ATOM 322 CD ARG A 99 -5.233 -2.234 2.586 1.00 0.00 C ATOM 323 NE ARG A 99 -6.111 -1.521 3.510 1.00 0.00 N ATOM 324 CZ ARG A 99 -7.297 -1.030 3.166 1.00 0.00 C ATOM 325 NH1 ARG A 99 -7.744 -1.175 1.926 1.00 0.00 N ATOM 326 NH2 ARG A 99 -8.038 -0.393 4.064 1.00 0.00 N ATOM 0 H ARG A 99 -1.268 -2.977 0.027 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.971 -3.685 0.275 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -2.715 -2.498 2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -2.453 -1.133 0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -4.214 -0.374 2.250 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.063 -0.988 0.846 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.828 -2.904 1.965 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -4.540 -2.856 3.152 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.797 -1.393 4.472 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.177 -1.664 1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.655 -0.797 1.665 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.697 -0.280 5.019 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.948 -0.016 3.799 1.00 0.00 H new ATOM 340 N ARG A 100 -3.527 -0.927 -1.509 1.00 0.00 N ATOM 341 CA ARG A 100 -4.119 -0.105 -2.557 1.00 0.00 C ATOM 342 C ARG A 100 -4.681 -0.974 -3.678 1.00 0.00 C ATOM 343 O ARG A 100 -5.689 -0.635 -4.296 1.00 0.00 O ATOM 344 CB ARG A 100 -3.081 0.866 -3.122 1.00 0.00 C ATOM 345 CG ARG A 100 -1.981 0.186 -3.920 1.00 0.00 C ATOM 346 CD ARG A 100 -1.123 1.198 -4.662 1.00 0.00 C ATOM 347 NE ARG A 100 -0.572 0.648 -5.897 1.00 0.00 N ATOM 348 CZ ARG A 100 -0.076 1.395 -6.878 1.00 0.00 C ATOM 349 NH1 ARG A 100 -0.063 2.716 -6.767 1.00 0.00 N ATOM 350 NH2 ARG A 100 0.408 0.820 -7.971 1.00 0.00 N ATOM 0 H ARG A 100 -2.668 -0.548 -1.111 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.937 0.465 -2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.585 1.592 -3.760 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.631 1.422 -2.300 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -1.354 -0.402 -3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.424 -0.509 -4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.721 2.080 -4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.308 1.525 -4.016 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.567 -0.365 -6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.434 3.161 -5.928 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.318 3.287 -7.521 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.400 -0.196 -8.059 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.788 1.394 -8.723 1.00 0.00 H new ATOM 364 N GLY A 101 -4.019 -2.099 -3.936 1.00 0.00 N ATOM 365 CA GLY A 101 -4.466 -2.999 -4.983 1.00 0.00 C ATOM 366 C GLY A 101 -5.766 -3.696 -4.632 1.00 0.00 C ATOM 367 O GLY A 101 -6.686 -3.754 -5.447 1.00 0.00 O ATOM 0 H GLY A 101 -3.182 -2.402 -3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.596 -2.438 -5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.695 -3.747 -5.169 1.00 0.00 H new ATOM 371 N MET A 102 -5.841 -4.227 -3.416 1.00 0.00 N ATOM 372 CA MET A 102 -7.039 -4.924 -2.960 1.00 0.00 C ATOM 373 C MET A 102 -7.973 -3.973 -2.220 1.00 0.00 C ATOM 374 O MET A 102 -8.974 -4.396 -1.641 1.00 0.00 O ATOM 375 CB MET A 102 -6.658 -6.094 -2.051 1.00 0.00 C ATOM 376 CG MET A 102 -6.242 -7.344 -2.810 1.00 0.00 C ATOM 377 SD MET A 102 -5.239 -8.461 -1.812 1.00 0.00 S ATOM 378 CE MET A 102 -6.229 -8.566 -0.323 1.00 0.00 C ATOM 0 H MET A 102 -5.088 -4.188 -2.729 1.00 0.00 H new ATOM 0 HA MET A 102 -7.561 -5.308 -3.836 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.840 -5.786 -1.399 1.00 0.00 H new ATOM 0 HB3 MET A 102 -7.505 -6.334 -1.408 1.00 0.00 H new ATOM 0 HG2 MET A 102 -7.133 -7.870 -3.152 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.681 -7.055 -3.699 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.837 -9.354 0.320 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.192 -7.614 0.206 1.00 0.00 H new ATOM 0 HE3 MET A 102 -7.261 -8.794 -0.588 1.00 0.00 H new ATOM 388 N ASP A 103 -7.640 -2.687 -2.243 1.00 0.00 N ATOM 389 CA ASP A 103 -8.450 -1.675 -1.575 1.00 0.00 C ATOM 390 C ASP A 103 -9.926 -1.845 -1.921 1.00 0.00 C ATOM 391 O ASP A 103 -10.796 -1.699 -1.064 1.00 0.00 O ATOM 392 CB ASP A 103 -7.980 -0.274 -1.967 1.00 0.00 C ATOM 393 CG ASP A 103 -9.058 0.774 -1.775 1.00 0.00 C ATOM 394 OD1 ASP A 103 -9.573 0.894 -0.643 1.00 0.00 O ATOM 395 OD2 ASP A 103 -9.389 1.474 -2.755 1.00 0.00 O ATOM 0 H ASP A 103 -6.815 -2.321 -2.717 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.330 -1.802 -0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.108 -0.007 -1.371 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.664 -0.279 -3.010 1.00 0.00 H new ATOM 400 N GLY A 104 -10.201 -2.154 -3.185 1.00 0.00 N ATOM 401 CA GLY A 104 -11.572 -2.337 -3.623 1.00 0.00 C ATOM 402 C GLY A 104 -12.346 -3.283 -2.725 1.00 0.00 C ATOM 403 O GLY A 104 -13.549 -3.115 -2.524 1.00 0.00 O ATOM 0 H GLY A 104 -9.498 -2.281 -3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.075 -1.370 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.576 -2.723 -4.642 1.00 0.00 H new ATOM 407 N LEU A 105 -11.655 -4.281 -2.186 1.00 0.00 N ATOM 408 CA LEU A 105 -12.285 -5.259 -1.306 1.00 0.00 C ATOM 409 C LEU A 105 -12.568 -4.655 0.066 1.00 0.00 C ATOM 410 O LEU A 105 -13.706 -4.663 0.536 1.00 0.00 O ATOM 411 CB LEU A 105 -11.391 -6.492 -1.158 1.00 0.00 C ATOM 412 CG LEU A 105 -11.111 -7.276 -2.440 1.00 0.00 C ATOM 413 CD1 LEU A 105 -10.047 -8.335 -2.197 1.00 0.00 C ATOM 414 CD2 LEU A 105 -12.389 -7.912 -2.967 1.00 0.00 C ATOM 0 H LEU A 105 -10.659 -4.434 -2.343 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.233 -5.556 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -10.438 -6.176 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.853 -7.166 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 105 -10.738 -6.582 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.861 -8.883 -3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.125 -7.856 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.391 -9.027 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.170 -8.466 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.793 -8.593 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.121 -7.134 -3.182 1.00 0.00 H new ATOM 426 N PHE A 106 -11.526 -4.129 0.701 1.00 0.00 N ATOM 427 CA PHE A 106 -11.663 -3.519 2.019 1.00 0.00 C ATOM 428 C PHE A 106 -12.961 -2.722 2.117 1.00 0.00 C ATOM 429 O PHE A 106 -13.511 -2.543 3.202 1.00 0.00 O ATOM 430 CB PHE A 106 -10.469 -2.607 2.308 1.00 0.00 C ATOM 431 CG PHE A 106 -9.307 -3.323 2.937 1.00 0.00 C ATOM 432 CD1 PHE A 106 -8.566 -4.240 2.210 1.00 0.00 C ATOM 433 CD2 PHE A 106 -8.956 -3.078 4.254 1.00 0.00 C ATOM 434 CE1 PHE A 106 -7.497 -4.901 2.786 1.00 0.00 C ATOM 435 CE2 PHE A 106 -7.888 -3.735 4.836 1.00 0.00 C ATOM 436 CZ PHE A 106 -7.157 -4.647 4.100 1.00 0.00 C ATOM 0 H PHE A 106 -10.578 -4.113 0.325 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.690 -4.317 2.761 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.140 -2.146 1.377 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.789 -1.801 2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.826 -4.441 1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.524 -2.365 4.833 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.928 -5.615 2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -7.626 -3.536 5.864 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.321 -5.161 4.551 1.00 0.00 H new ATOM 446 N ASN A 107 -13.443 -2.245 0.974 1.00 0.00 N ATOM 447 CA ASN A 107 -14.675 -1.466 0.930 1.00 0.00 C ATOM 448 C ASN A 107 -15.892 -2.379 0.813 1.00 0.00 C ATOM 449 O ASN A 107 -16.816 -2.309 1.625 1.00 0.00 O ATOM 450 CB ASN A 107 -14.643 -0.488 -0.246 1.00 0.00 C ATOM 451 CG ASN A 107 -13.710 0.681 0.000 1.00 0.00 C ATOM 452 OD1 ASN A 107 -12.539 0.646 -0.379 1.00 0.00 O ATOM 453 ND2 ASN A 107 -14.225 1.725 0.638 1.00 0.00 N ATOM 0 H ASN A 107 -12.999 -2.384 0.066 1.00 0.00 H new ATOM 0 HA ASN A 107 -14.753 -0.903 1.860 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -14.329 -1.017 -1.146 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -15.650 -0.113 -0.431 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -13.645 2.541 0.832 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -15.201 1.711 0.934 1.00 0.00 H new ATOM 460 N THR A 108 -15.886 -3.237 -0.202 1.00 0.00 N ATOM 461 CA THR A 108 -16.989 -4.164 -0.426 1.00 0.00 C ATOM 462 C THR A 108 -16.875 -5.383 0.482 1.00 0.00 C ATOM 463 O THR A 108 -16.996 -6.521 0.028 1.00 0.00 O ATOM 464 CB THR A 108 -17.040 -4.633 -1.892 1.00 0.00 C ATOM 465 OG1 THR A 108 -18.220 -5.412 -2.117 1.00 0.00 O ATOM 466 CG2 THR A 108 -15.809 -5.456 -2.240 1.00 0.00 C ATOM 0 H THR A 108 -15.129 -3.309 -0.882 1.00 0.00 H new ATOM 0 HA THR A 108 -17.907 -3.625 -0.193 1.00 0.00 H new ATOM 0 HB THR A 108 -17.061 -3.751 -2.532 1.00 0.00 H new ATOM 0 HG1 THR A 108 -18.223 -6.183 -1.512 1.00 0.00 H new ATOM 0 HG21 THR A 108 -15.867 -5.776 -3.280 1.00 0.00 H new ATOM 0 HG22 THR A 108 -14.914 -4.851 -2.096 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.762 -6.332 -1.593 1.00 0.00 H new ATOM 474 N SER A 109 -16.644 -5.138 1.768 1.00 0.00 N ATOM 475 CA SER A 109 -16.511 -6.217 2.740 1.00 0.00 C ATOM 476 C SER A 109 -16.440 -5.663 4.160 1.00 0.00 C ATOM 477 O SER A 109 -15.611 -4.805 4.464 1.00 0.00 O ATOM 478 CB SER A 109 -15.262 -7.049 2.442 1.00 0.00 C ATOM 479 OG SER A 109 -15.037 -8.013 3.456 1.00 0.00 O ATOM 0 H SER A 109 -16.545 -4.202 2.161 1.00 0.00 H new ATOM 0 HA SER A 109 -17.391 -6.855 2.661 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.375 -7.548 1.480 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.395 -6.393 2.361 1.00 0.00 H new ATOM 0 HG SER A 109 -14.296 -7.720 4.027 1.00 0.00 H new ATOM 485 N LYS A 110 -17.316 -6.161 5.026 1.00 0.00 N ATOM 486 CA LYS A 110 -17.355 -5.719 6.415 1.00 0.00 C ATOM 487 C LYS A 110 -16.126 -6.207 7.176 1.00 0.00 C ATOM 488 O LYS A 110 -15.416 -5.419 7.799 1.00 0.00 O ATOM 489 CB LYS A 110 -18.627 -6.227 7.098 1.00 0.00 C ATOM 490 CG LYS A 110 -19.891 -5.535 6.621 1.00 0.00 C ATOM 491 CD LYS A 110 -20.956 -5.509 7.705 1.00 0.00 C ATOM 492 CE LYS A 110 -20.819 -4.280 8.591 1.00 0.00 C ATOM 493 NZ LYS A 110 -19.752 -4.451 9.615 1.00 0.00 N ATOM 0 H LYS A 110 -18.009 -6.871 4.790 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.356 -4.629 6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -18.721 -7.299 6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -18.531 -6.088 8.175 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -19.656 -4.515 6.316 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -20.278 -6.049 5.741 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -21.945 -5.520 7.246 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -20.878 -6.409 8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -20.594 -3.410 7.974 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -21.769 -4.082 9.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -19.904 -3.775 10.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -19.783 -5.421 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.823 -4.277 9.181 1.00 0.00 H new ATOM 507 N SER A 111 -15.881 -7.513 7.120 1.00 0.00 N ATOM 508 CA SER A 111 -14.740 -8.106 7.806 1.00 0.00 C ATOM 509 C SER A 111 -13.567 -8.293 6.848 1.00 0.00 C ATOM 510 O SER A 111 -13.545 -9.230 6.052 1.00 0.00 O ATOM 511 CB SER A 111 -15.130 -9.452 8.420 1.00 0.00 C ATOM 512 OG SER A 111 -16.256 -9.318 9.269 1.00 0.00 O ATOM 0 H SER A 111 -16.458 -8.180 6.607 1.00 0.00 H new ATOM 0 HA SER A 111 -14.433 -7.427 8.601 1.00 0.00 H new ATOM 0 HB2 SER A 111 -15.351 -10.166 7.627 1.00 0.00 H new ATOM 0 HB3 SER A 111 -14.290 -9.854 8.986 1.00 0.00 H new ATOM 0 HG SER A 111 -16.486 -10.192 9.647 1.00 0.00 H new ATOM 518 N ASN A 112 -12.594 -7.392 6.932 1.00 0.00 N ATOM 519 CA ASN A 112 -11.417 -7.455 6.073 1.00 0.00 C ATOM 520 C ASN A 112 -10.329 -8.320 6.703 1.00 0.00 C ATOM 521 O ASN A 112 -9.147 -7.979 6.661 1.00 0.00 O ATOM 522 CB ASN A 112 -10.877 -6.048 5.808 1.00 0.00 C ATOM 523 CG ASN A 112 -11.983 -5.041 5.559 1.00 0.00 C ATOM 524 OD1 ASN A 112 -13.040 -5.383 5.029 1.00 0.00 O ATOM 525 ND2 ASN A 112 -11.743 -3.792 5.941 1.00 0.00 N ATOM 0 H ASN A 112 -12.597 -6.609 7.586 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.713 -7.907 5.126 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -10.280 -5.724 6.661 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -10.212 -6.074 4.945 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -12.450 -3.070 5.799 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -10.852 -3.554 6.377 1.00 0.00 H new ATOM 532 N LYS A 113 -10.737 -9.441 7.288 1.00 0.00 N ATOM 533 CA LYS A 113 -9.799 -10.357 7.926 1.00 0.00 C ATOM 534 C LYS A 113 -8.992 -11.123 6.883 1.00 0.00 C ATOM 535 O LYS A 113 -7.761 -11.108 6.902 1.00 0.00 O ATOM 536 CB LYS A 113 -10.548 -11.339 8.830 1.00 0.00 C ATOM 537 CG LYS A 113 -10.729 -10.839 10.252 1.00 0.00 C ATOM 538 CD LYS A 113 -11.261 -11.932 11.164 1.00 0.00 C ATOM 539 CE LYS A 113 -10.165 -12.907 11.564 1.00 0.00 C ATOM 540 NZ LYS A 113 -10.720 -14.219 11.997 1.00 0.00 N ATOM 0 H LYS A 113 -11.712 -9.737 7.333 1.00 0.00 H new ATOM 0 HA LYS A 113 -9.110 -9.768 8.532 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -11.528 -11.543 8.398 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -10.007 -12.285 8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -9.775 -10.476 10.635 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -11.417 -9.993 10.257 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -11.694 -11.483 12.058 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -12.062 -12.471 10.658 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -9.489 -13.059 10.722 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -9.575 -12.478 12.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -9.941 -14.855 12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -11.345 -14.078 12.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -11.262 -14.641 11.216 1.00 0.00 H new ATOM 554 N HIS A 114 -9.693 -11.792 5.973 1.00 0.00 N ATOM 555 CA HIS A 114 -9.041 -12.562 4.920 1.00 0.00 C ATOM 556 C HIS A 114 -8.157 -11.666 4.059 1.00 0.00 C ATOM 557 O HIS A 114 -7.274 -12.146 3.347 1.00 0.00 O ATOM 558 CB HIS A 114 -10.086 -13.258 4.047 1.00 0.00 C ATOM 559 CG HIS A 114 -11.382 -12.513 3.955 1.00 0.00 C ATOM 560 ND1 HIS A 114 -12.609 -13.141 3.910 1.00 0.00 N ATOM 561 CD2 HIS A 114 -11.638 -11.185 3.902 1.00 0.00 C ATOM 562 CE1 HIS A 114 -13.564 -12.231 3.832 1.00 0.00 C ATOM 563 NE2 HIS A 114 -13.001 -11.036 3.825 1.00 0.00 N ATOM 0 H HIS A 114 -10.712 -11.816 5.944 1.00 0.00 H new ATOM 0 HA HIS A 114 -8.412 -13.316 5.392 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.680 -13.390 3.044 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.277 -14.254 4.447 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -10.907 -10.391 3.917 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -14.624 -12.430 3.782 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -13.498 -10.147 3.771 1.00 0.00 H new ATOM 571 N LEU A 115 -8.399 -10.362 4.128 1.00 0.00 N ATOM 572 CA LEU A 115 -7.625 -9.397 3.355 1.00 0.00 C ATOM 573 C LEU A 115 -6.276 -9.127 4.014 1.00 0.00 C ATOM 574 O LEU A 115 -5.231 -9.220 3.372 1.00 0.00 O ATOM 575 CB LEU A 115 -8.404 -8.089 3.207 1.00 0.00 C ATOM 576 CG LEU A 115 -9.873 -8.225 2.802 1.00 0.00 C ATOM 577 CD1 LEU A 115 -10.389 -6.918 2.220 1.00 0.00 C ATOM 578 CD2 LEU A 115 -10.048 -9.361 1.805 1.00 0.00 C ATOM 0 H LEU A 115 -9.126 -9.948 4.712 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.447 -9.820 2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.357 -7.552 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.899 -7.470 2.465 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.456 -8.457 3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.435 -7.034 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.299 -6.127 2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -9.802 -6.655 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.099 -9.443 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.453 -9.159 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.718 -10.296 2.257 1.00 0.00 H new ATOM 590 N TRP A 116 -6.309 -8.795 5.299 1.00 0.00 N ATOM 591 CA TRP A 116 -5.088 -8.513 6.047 1.00 0.00 C ATOM 592 C TRP A 116 -4.210 -9.756 6.143 1.00 0.00 C ATOM 593 O TRP A 116 -2.986 -9.657 6.214 1.00 0.00 O ATOM 594 CB TRP A 116 -5.429 -8.005 7.448 1.00 0.00 C ATOM 595 CG TRP A 116 -5.758 -6.543 7.486 1.00 0.00 C ATOM 596 CD1 TRP A 116 -6.926 -5.977 7.913 1.00 0.00 C ATOM 597 CD2 TRP A 116 -4.911 -5.463 7.080 1.00 0.00 C ATOM 598 NE1 TRP A 116 -6.854 -4.609 7.796 1.00 0.00 N ATOM 599 CE2 TRP A 116 -5.628 -4.269 7.289 1.00 0.00 C ATOM 600 CE3 TRP A 116 -3.615 -5.388 6.563 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -5.092 -3.018 6.997 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -3.084 -4.146 6.273 1.00 0.00 C ATOM 603 CH2 TRP A 116 -3.821 -2.974 6.491 1.00 0.00 C ATOM 0 H TRP A 116 -7.167 -8.714 5.845 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.535 -7.740 5.513 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -6.276 -8.571 7.836 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.586 -8.198 8.112 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -7.779 -6.523 8.287 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -7.594 -3.953 8.046 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -3.038 -6.285 6.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -5.659 -2.114 7.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -2.084 -4.077 5.871 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -3.378 -2.018 6.255 1.00 0.00 H new ATOM 614 N GLU A 117 -4.844 -10.925 6.145 1.00 0.00 N ATOM 615 CA GLU A 117 -4.118 -12.186 6.233 1.00 0.00 C ATOM 616 C GLU A 117 -3.373 -12.477 4.934 1.00 0.00 C ATOM 617 O GLU A 117 -2.160 -12.685 4.936 1.00 0.00 O ATOM 618 CB GLU A 117 -5.081 -13.333 6.549 1.00 0.00 C ATOM 619 CG GLU A 117 -5.432 -13.444 8.023 1.00 0.00 C ATOM 620 CD GLU A 117 -5.744 -14.867 8.443 1.00 0.00 C ATOM 621 OE1 GLU A 117 -6.243 -15.639 7.597 1.00 0.00 O ATOM 622 OE2 GLU A 117 -5.489 -15.210 9.617 1.00 0.00 O ATOM 0 H GLU A 117 -5.857 -11.024 6.087 1.00 0.00 H new ATOM 0 HA GLU A 117 -3.389 -12.100 7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -5.997 -13.195 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -4.636 -14.271 6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -4.601 -13.067 8.620 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -6.292 -12.809 8.237 1.00 0.00 H new ATOM 629 N GLN A 118 -4.108 -12.491 3.827 1.00 0.00 N ATOM 630 CA GLN A 118 -3.518 -12.757 2.521 1.00 0.00 C ATOM 631 C GLN A 118 -2.348 -11.817 2.250 1.00 0.00 C ATOM 632 O GLN A 118 -1.271 -12.252 1.842 1.00 0.00 O ATOM 633 CB GLN A 118 -4.571 -12.611 1.421 1.00 0.00 C ATOM 634 CG GLN A 118 -5.508 -13.802 1.313 1.00 0.00 C ATOM 635 CD GLN A 118 -6.202 -13.879 -0.032 1.00 0.00 C ATOM 636 OE1 GLN A 118 -5.997 -14.822 -0.797 1.00 0.00 O ATOM 637 NE2 GLN A 118 -7.031 -12.885 -0.329 1.00 0.00 N ATOM 0 H GLN A 118 -5.114 -12.321 3.809 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.145 -13.781 2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -5.159 -11.713 1.610 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.068 -12.468 0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.944 -14.720 1.479 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -6.258 -13.742 2.102 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.172 -12.123 0.334 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -7.527 -12.884 -1.220 1.00 0.00 H new ATOM 646 N ILE A 119 -2.568 -10.526 2.478 1.00 0.00 N ATOM 647 CA ILE A 119 -1.532 -9.525 2.259 1.00 0.00 C ATOM 648 C ILE A 119 -0.309 -9.801 3.127 1.00 0.00 C ATOM 649 O ILE A 119 0.782 -10.057 2.616 1.00 0.00 O ATOM 650 CB ILE A 119 -2.049 -8.105 2.558 1.00 0.00 C ATOM 651 CG1 ILE A 119 -3.190 -7.743 1.605 1.00 0.00 C ATOM 652 CG2 ILE A 119 -0.918 -7.095 2.446 1.00 0.00 C ATOM 653 CD1 ILE A 119 -4.005 -6.553 2.061 1.00 0.00 C ATOM 0 H ILE A 119 -3.454 -10.149 2.814 1.00 0.00 H new ATOM 0 HA ILE A 119 -1.251 -9.587 1.208 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.431 -8.081 3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.776 -7.533 0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -3.849 -8.604 1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.299 -6.097 2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -0.135 -7.345 3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.508 -7.118 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.795 -6.354 1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -4.449 -6.767 3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.359 -5.679 2.142 1.00 0.00 H new ATOM 665 N SER A 120 -0.498 -9.748 4.441 1.00 0.00 N ATOM 666 CA SER A 120 0.591 -9.991 5.380 1.00 0.00 C ATOM 667 C SER A 120 1.487 -11.125 4.893 1.00 0.00 C ATOM 668 O SER A 120 2.712 -11.044 4.977 1.00 0.00 O ATOM 669 CB SER A 120 0.033 -10.326 6.765 1.00 0.00 C ATOM 670 OG SER A 120 1.055 -10.799 7.626 1.00 0.00 O ATOM 0 H SER A 120 -1.395 -9.539 4.880 1.00 0.00 H new ATOM 0 HA SER A 120 1.189 -9.082 5.446 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.430 -9.439 7.198 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.748 -11.081 6.673 1.00 0.00 H new ATOM 0 HG SER A 120 0.653 -11.295 8.370 1.00 0.00 H new ATOM 676 N SER A 121 0.866 -12.184 4.382 1.00 0.00 N ATOM 677 CA SER A 121 1.605 -13.337 3.884 1.00 0.00 C ATOM 678 C SER A 121 2.363 -12.987 2.607 1.00 0.00 C ATOM 679 O SER A 121 3.518 -13.373 2.430 1.00 0.00 O ATOM 680 CB SER A 121 0.653 -14.505 3.621 1.00 0.00 C ATOM 681 OG SER A 121 1.369 -15.706 3.389 1.00 0.00 O ATOM 0 H SER A 121 -0.148 -12.266 4.302 1.00 0.00 H new ATOM 0 HA SER A 121 2.327 -13.630 4.646 1.00 0.00 H new ATOM 0 HB2 SER A 121 -0.013 -14.634 4.474 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.026 -14.280 2.758 1.00 0.00 H new ATOM 0 HG SER A 121 0.737 -16.437 3.225 1.00 0.00 H new ATOM 687 N LYS A 122 1.703 -12.251 1.718 1.00 0.00 N ATOM 688 CA LYS A 122 2.313 -11.846 0.457 1.00 0.00 C ATOM 689 C LYS A 122 3.582 -11.037 0.701 1.00 0.00 C ATOM 690 O LYS A 122 4.679 -11.460 0.335 1.00 0.00 O ATOM 691 CB LYS A 122 1.322 -11.024 -0.370 1.00 0.00 C ATOM 692 CG LYS A 122 0.227 -11.857 -1.014 1.00 0.00 C ATOM 693 CD LYS A 122 -0.253 -11.238 -2.315 1.00 0.00 C ATOM 694 CE LYS A 122 -1.019 -12.243 -3.161 1.00 0.00 C ATOM 695 NZ LYS A 122 -1.725 -11.588 -4.297 1.00 0.00 N ATOM 0 H LYS A 122 0.746 -11.923 1.848 1.00 0.00 H new ATOM 0 HA LYS A 122 2.579 -12.747 -0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 122 0.864 -10.271 0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.867 -10.491 -1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.599 -12.864 -1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.612 -11.953 -0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.892 -10.382 -2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.602 -10.863 -2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -0.329 -12.994 -3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -1.743 -12.766 -2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -2.235 -12.307 -4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -2.402 -10.889 -3.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.032 -11.110 -4.907 1.00 0.00 H new ATOM 709 N MET A 123 3.426 -9.873 1.323 1.00 0.00 N ATOM 710 CA MET A 123 4.562 -9.007 1.618 1.00 0.00 C ATOM 711 C MET A 123 5.665 -9.781 2.331 1.00 0.00 C ATOM 712 O MET A 123 6.851 -9.545 2.100 1.00 0.00 O ATOM 713 CB MET A 123 4.117 -7.822 2.478 1.00 0.00 C ATOM 714 CG MET A 123 3.574 -8.228 3.838 1.00 0.00 C ATOM 715 SD MET A 123 4.860 -8.320 5.099 1.00 0.00 S ATOM 716 CE MET A 123 5.215 -6.582 5.347 1.00 0.00 C ATOM 0 H MET A 123 2.525 -9.508 1.632 1.00 0.00 H new ATOM 0 HA MET A 123 4.957 -8.634 0.673 1.00 0.00 H new ATOM 0 HB2 MET A 123 4.962 -7.149 2.620 1.00 0.00 H new ATOM 0 HB3 MET A 123 3.350 -7.262 1.942 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.815 -7.511 4.151 1.00 0.00 H new ATOM 0 HG3 MET A 123 3.082 -9.197 3.754 1.00 0.00 H new ATOM 0 HE1 MET A 123 5.690 -6.443 6.318 1.00 0.00 H new ATOM 0 HE2 MET A 123 5.885 -6.232 4.562 1.00 0.00 H new ATOM 0 HE3 MET A 123 4.286 -6.012 5.312 1.00 0.00 H new ATOM 726 N ARG A 124 5.268 -10.705 3.199 1.00 0.00 N ATOM 727 CA ARG A 124 6.224 -11.513 3.947 1.00 0.00 C ATOM 728 C ARG A 124 7.150 -12.273 3.002 1.00 0.00 C ATOM 729 O ARG A 124 8.370 -12.250 3.163 1.00 0.00 O ATOM 730 CB ARG A 124 5.489 -12.497 4.859 1.00 0.00 C ATOM 731 CG ARG A 124 6.380 -13.132 5.914 1.00 0.00 C ATOM 732 CD ARG A 124 5.624 -14.168 6.732 1.00 0.00 C ATOM 733 NE ARG A 124 5.686 -15.495 6.126 1.00 0.00 N ATOM 734 CZ ARG A 124 6.788 -16.236 6.091 1.00 0.00 C ATOM 735 NH1 ARG A 124 7.914 -15.782 6.623 1.00 0.00 N ATOM 736 NH2 ARG A 124 6.765 -17.434 5.521 1.00 0.00 N ATOM 0 H ARG A 124 4.290 -10.913 3.402 1.00 0.00 H new ATOM 0 HA ARG A 124 6.828 -10.843 4.559 1.00 0.00 H new ATOM 0 HB2 ARG A 124 4.668 -11.977 5.354 1.00 0.00 H new ATOM 0 HB3 ARG A 124 5.046 -13.284 4.248 1.00 0.00 H new ATOM 0 HG2 ARG A 124 7.237 -13.602 5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 124 6.770 -12.359 6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 124 6.040 -14.209 7.739 1.00 0.00 H new ATOM 0 HD3 ARG A 124 4.582 -13.863 6.830 1.00 0.00 H new ATOM 0 HE ARG A 124 4.837 -15.874 5.707 1.00 0.00 H new ATOM 0 HH11 ARG A 124 7.936 -14.861 7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 124 8.758 -16.354 6.594 1.00 0.00 H new ATOM 0 HH21 ARG A 124 5.901 -17.786 5.109 1.00 0.00 H new ATOM 0 HH22 ARG A 124 7.611 -18.002 5.494 1.00 0.00 H new ATOM 750 N GLU A 125 6.561 -12.946 2.019 1.00 0.00 N ATOM 751 CA GLU A 125 7.334 -13.714 1.050 1.00 0.00 C ATOM 752 C GLU A 125 8.473 -12.876 0.475 1.00 0.00 C ATOM 753 O GLU A 125 9.605 -13.344 0.357 1.00 0.00 O ATOM 754 CB GLU A 125 6.430 -14.208 -0.081 1.00 0.00 C ATOM 755 CG GLU A 125 5.347 -15.169 0.381 1.00 0.00 C ATOM 756 CD GLU A 125 4.207 -15.284 -0.612 1.00 0.00 C ATOM 757 OE1 GLU A 125 3.932 -14.293 -1.319 1.00 0.00 O ATOM 758 OE2 GLU A 125 3.589 -16.368 -0.681 1.00 0.00 O ATOM 0 H GLU A 125 5.552 -12.975 1.873 1.00 0.00 H new ATOM 0 HA GLU A 125 7.762 -14.574 1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.961 -13.349 -0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.043 -14.700 -0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.785 -16.154 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 125 4.955 -14.834 1.341 1.00 0.00 H new ATOM 765 N LYS A 126 8.164 -11.633 0.120 1.00 0.00 N ATOM 766 CA LYS A 126 9.159 -10.728 -0.442 1.00 0.00 C ATOM 767 C LYS A 126 10.498 -10.881 0.271 1.00 0.00 C ATOM 768 O LYS A 126 11.546 -10.974 -0.367 1.00 0.00 O ATOM 769 CB LYS A 126 8.677 -9.279 -0.338 1.00 0.00 C ATOM 770 CG LYS A 126 7.407 -9.002 -1.125 1.00 0.00 C ATOM 771 CD LYS A 126 7.659 -9.045 -2.623 1.00 0.00 C ATOM 772 CE LYS A 126 6.395 -8.735 -3.410 1.00 0.00 C ATOM 773 NZ LYS A 126 6.467 -9.255 -4.803 1.00 0.00 N ATOM 0 H LYS A 126 7.232 -11.230 0.212 1.00 0.00 H new ATOM 0 HA LYS A 126 9.295 -10.985 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 126 8.505 -9.037 0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.466 -8.616 -0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 126 6.647 -9.738 -0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.013 -8.024 -0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 126 8.436 -8.326 -2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 126 8.030 -10.031 -2.902 1.00 0.00 H new ATOM 0 HE2 LYS A 126 5.535 -9.173 -2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.237 -7.657 -3.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 5.587 -9.023 -5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 7.272 -8.818 -5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 6.592 -10.287 -4.782 1.00 0.00 H new ATOM 787 N GLY A 127 10.457 -10.909 1.600 1.00 0.00 N ATOM 788 CA GLY A 127 11.673 -11.054 2.378 1.00 0.00 C ATOM 789 C GLY A 127 11.618 -10.294 3.688 1.00 0.00 C ATOM 790 O GLY A 127 12.630 -9.771 4.155 1.00 0.00 O ATOM 0 H GLY A 127 9.602 -10.834 2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 127 11.846 -12.111 2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.520 -10.699 1.791 1.00 0.00 H new ATOM 794 N PHE A 128 10.431 -10.230 4.283 1.00 0.00 N ATOM 795 CA PHE A 128 10.246 -9.525 5.546 1.00 0.00 C ATOM 796 C PHE A 128 9.458 -10.379 6.535 1.00 0.00 C ATOM 797 O PHE A 128 8.350 -10.828 6.239 1.00 0.00 O ATOM 798 CB PHE A 128 9.524 -8.197 5.313 1.00 0.00 C ATOM 799 CG PHE A 128 10.020 -7.448 4.110 1.00 0.00 C ATOM 800 CD1 PHE A 128 11.146 -6.644 4.193 1.00 0.00 C ATOM 801 CD2 PHE A 128 9.361 -7.547 2.895 1.00 0.00 C ATOM 802 CE1 PHE A 128 11.604 -5.954 3.087 1.00 0.00 C ATOM 803 CE2 PHE A 128 9.814 -6.859 1.786 1.00 0.00 C ATOM 804 CZ PHE A 128 10.938 -6.062 1.882 1.00 0.00 C ATOM 0 H PHE A 128 9.583 -10.658 3.911 1.00 0.00 H new ATOM 0 HA PHE A 128 11.230 -9.325 5.969 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.457 -8.388 5.198 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.642 -7.569 6.196 1.00 0.00 H new ATOM 0 HD1 PHE A 128 11.671 -6.556 5.133 1.00 0.00 H new ATOM 0 HD2 PHE A 128 8.482 -8.170 2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 128 12.482 -5.331 3.165 1.00 0.00 H new ATOM 0 HE2 PHE A 128 9.290 -6.944 0.845 1.00 0.00 H new ATOM 0 HZ PHE A 128 11.295 -5.524 1.016 1.00 0.00 H new ATOM 814 N ASP A 129 10.037 -10.601 7.710 1.00 0.00 N ATOM 815 CA ASP A 129 9.390 -11.400 8.743 1.00 0.00 C ATOM 816 C ASP A 129 8.656 -10.508 9.740 1.00 0.00 C ATOM 817 O ASP A 129 9.231 -10.072 10.737 1.00 0.00 O ATOM 818 CB ASP A 129 10.422 -12.261 9.473 1.00 0.00 C ATOM 819 CG ASP A 129 9.787 -13.420 10.216 1.00 0.00 C ATOM 820 OD1 ASP A 129 9.263 -13.198 11.328 1.00 0.00 O ATOM 821 OD2 ASP A 129 9.814 -14.550 9.685 1.00 0.00 O ATOM 0 H ASP A 129 10.954 -10.238 7.970 1.00 0.00 H new ATOM 0 HA ASP A 129 8.661 -12.051 8.261 1.00 0.00 H new ATOM 0 HB2 ASP A 129 11.144 -12.647 8.753 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.975 -11.641 10.178 1.00 0.00 H new ATOM 826 N ARG A 130 7.384 -10.241 9.462 1.00 0.00 N ATOM 827 CA ARG A 130 6.573 -9.399 10.334 1.00 0.00 C ATOM 828 C ARG A 130 5.193 -10.014 10.551 1.00 0.00 C ATOM 829 O ARG A 130 4.708 -10.785 9.723 1.00 0.00 O ATOM 830 CB ARG A 130 6.430 -7.998 9.736 1.00 0.00 C ATOM 831 CG ARG A 130 7.626 -7.099 10.003 1.00 0.00 C ATOM 832 CD ARG A 130 7.654 -6.622 11.447 1.00 0.00 C ATOM 833 NE ARG A 130 8.647 -5.572 11.658 1.00 0.00 N ATOM 834 CZ ARG A 130 8.856 -4.983 12.830 1.00 0.00 C ATOM 835 NH1 ARG A 130 8.145 -5.340 13.891 1.00 0.00 N ATOM 836 NH2 ARG A 130 9.778 -4.036 12.942 1.00 0.00 N ATOM 0 H ARG A 130 6.893 -10.595 8.641 1.00 0.00 H new ATOM 0 HA ARG A 130 7.076 -9.325 11.298 1.00 0.00 H new ATOM 0 HB2 ARG A 130 6.284 -8.085 8.659 1.00 0.00 H new ATOM 0 HB3 ARG A 130 5.534 -7.528 10.142 1.00 0.00 H new ATOM 0 HG2 ARG A 130 8.546 -7.640 9.779 1.00 0.00 H new ATOM 0 HG3 ARG A 130 7.592 -6.238 9.335 1.00 0.00 H new ATOM 0 HD2 ARG A 130 6.668 -6.249 11.725 1.00 0.00 H new ATOM 0 HD3 ARG A 130 7.873 -7.465 12.103 1.00 0.00 H new ATOM 0 HE ARG A 130 9.211 -5.275 10.862 1.00 0.00 H new ATOM 0 HH11 ARG A 130 7.436 -6.068 13.808 1.00 0.00 H new ATOM 0 HH12 ARG A 130 8.307 -4.886 14.790 1.00 0.00 H new ATOM 0 HH21 ARG A 130 10.327 -3.760 12.128 1.00 0.00 H new ATOM 0 HH22 ARG A 130 9.938 -3.584 13.842 1.00 0.00 H new ATOM 850 N SER A 131 4.566 -9.666 11.671 1.00 0.00 N ATOM 851 CA SER A 131 3.244 -10.187 12.000 1.00 0.00 C ATOM 852 C SER A 131 2.151 -9.341 11.354 1.00 0.00 C ATOM 853 O SER A 131 2.356 -8.179 11.002 1.00 0.00 O ATOM 854 CB SER A 131 3.049 -10.221 13.517 1.00 0.00 C ATOM 855 OG SER A 131 3.581 -11.411 14.073 1.00 0.00 O ATOM 0 H SER A 131 4.952 -9.026 12.365 1.00 0.00 H new ATOM 0 HA SER A 131 3.173 -11.202 11.609 1.00 0.00 H new ATOM 0 HB2 SER A 131 3.535 -9.356 13.969 1.00 0.00 H new ATOM 0 HB3 SER A 131 1.987 -10.149 13.752 1.00 0.00 H new ATOM 0 HG SER A 131 3.445 -11.408 15.044 1.00 0.00 H new ATOM 861 N PRO A 132 0.960 -9.936 11.194 1.00 0.00 N ATOM 862 CA PRO A 132 -0.190 -9.257 10.590 1.00 0.00 C ATOM 863 C PRO A 132 -0.750 -8.158 11.487 1.00 0.00 C ATOM 864 O PRO A 132 -1.203 -7.120 11.003 1.00 0.00 O ATOM 865 CB PRO A 132 -1.215 -10.380 10.417 1.00 0.00 C ATOM 866 CG PRO A 132 -0.852 -11.387 11.453 1.00 0.00 C ATOM 867 CD PRO A 132 0.644 -11.319 11.590 1.00 0.00 C ATOM 0 HA PRO A 132 0.075 -8.757 9.659 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -2.232 -10.014 10.560 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -1.168 -10.808 9.416 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.341 -11.165 12.401 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -1.172 -12.386 11.155 1.00 0.00 H new ATOM 0 HD2 PRO A 132 0.964 -11.528 12.611 1.00 0.00 H new ATOM 0 HD3 PRO A 132 1.140 -12.045 10.946 1.00 0.00 H new ATOM 875 N ASP A 133 -0.716 -8.392 12.794 1.00 0.00 N ATOM 876 CA ASP A 133 -1.219 -7.421 13.758 1.00 0.00 C ATOM 877 C ASP A 133 -0.540 -6.068 13.571 1.00 0.00 C ATOM 878 O ASP A 133 -1.142 -5.022 13.813 1.00 0.00 O ATOM 879 CB ASP A 133 -0.995 -7.924 15.185 1.00 0.00 C ATOM 880 CG ASP A 133 -1.829 -9.150 15.504 1.00 0.00 C ATOM 881 OD1 ASP A 133 -1.544 -10.226 14.936 1.00 0.00 O ATOM 882 OD2 ASP A 133 -2.766 -9.033 16.321 1.00 0.00 O ATOM 0 H ASP A 133 -0.345 -9.246 13.210 1.00 0.00 H new ATOM 0 HA ASP A 133 -2.289 -7.298 13.588 1.00 0.00 H new ATOM 0 HB2 ASP A 133 0.060 -8.160 15.323 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.238 -7.129 15.890 1.00 0.00 H new ATOM 887 N MET A 134 0.717 -6.096 13.140 1.00 0.00 N ATOM 888 CA MET A 134 1.477 -4.872 12.920 1.00 0.00 C ATOM 889 C MET A 134 0.972 -4.132 11.685 1.00 0.00 C ATOM 890 O MET A 134 0.758 -2.920 11.721 1.00 0.00 O ATOM 891 CB MET A 134 2.965 -5.191 12.764 1.00 0.00 C ATOM 892 CG MET A 134 3.581 -5.837 13.995 1.00 0.00 C ATOM 893 SD MET A 134 3.661 -4.713 15.402 1.00 0.00 S ATOM 894 CE MET A 134 5.220 -3.889 15.089 1.00 0.00 C ATOM 0 H MET A 134 1.230 -6.953 12.936 1.00 0.00 H new ATOM 0 HA MET A 134 1.340 -4.228 13.789 1.00 0.00 H new ATOM 0 HB2 MET A 134 3.098 -5.855 11.910 1.00 0.00 H new ATOM 0 HB3 MET A 134 3.504 -4.271 12.539 1.00 0.00 H new ATOM 0 HG2 MET A 134 2.998 -6.716 14.270 1.00 0.00 H new ATOM 0 HG3 MET A 134 4.586 -6.184 13.754 1.00 0.00 H new ATOM 0 HE1 MET A 134 5.258 -2.957 15.652 1.00 0.00 H new ATOM 0 HE2 MET A 134 6.042 -4.535 15.399 1.00 0.00 H new ATOM 0 HE3 MET A 134 5.310 -3.674 14.024 1.00 0.00 H new ATOM 904 N CYS A 135 0.783 -4.868 10.596 1.00 0.00 N ATOM 905 CA CYS A 135 0.304 -4.281 9.350 1.00 0.00 C ATOM 906 C CYS A 135 -0.969 -3.475 9.583 1.00 0.00 C ATOM 907 O CYS A 135 -1.080 -2.328 9.148 1.00 0.00 O ATOM 908 CB CYS A 135 0.046 -5.375 8.313 1.00 0.00 C ATOM 909 SG CYS A 135 1.549 -6.116 7.632 1.00 0.00 S ATOM 0 H CYS A 135 0.954 -5.873 10.550 1.00 0.00 H new ATOM 0 HA CYS A 135 1.075 -3.608 8.974 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -0.558 -6.159 8.770 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -0.542 -4.955 7.496 1.00 0.00 H new ATOM 0 HG CYS A 135 1.228 -7.031 6.766 1.00 0.00 H new ATOM 915 N THR A 136 -1.930 -4.082 10.272 1.00 0.00 N ATOM 916 CA THR A 136 -3.197 -3.422 10.561 1.00 0.00 C ATOM 917 C THR A 136 -2.984 -2.161 11.392 1.00 0.00 C ATOM 918 O THR A 136 -3.498 -1.093 11.059 1.00 0.00 O ATOM 919 CB THR A 136 -4.161 -4.360 11.312 1.00 0.00 C ATOM 920 OG1 THR A 136 -4.353 -5.566 10.564 1.00 0.00 O ATOM 921 CG2 THR A 136 -5.503 -3.683 11.546 1.00 0.00 C ATOM 0 H THR A 136 -1.855 -5.030 10.640 1.00 0.00 H new ATOM 0 HA THR A 136 -3.638 -3.152 9.601 1.00 0.00 H new ATOM 0 HB THR A 136 -3.720 -4.599 12.279 1.00 0.00 H new ATOM 0 HG1 THR A 136 -4.494 -5.346 9.619 1.00 0.00 H new ATOM 0 HG21 THR A 136 -6.167 -4.365 12.078 1.00 0.00 H new ATOM 0 HG22 THR A 136 -5.357 -2.781 12.141 1.00 0.00 H new ATOM 0 HG23 THR A 136 -5.948 -3.417 10.587 1.00 0.00 H new ATOM 929 N ASP A 137 -2.222 -2.292 12.472 1.00 0.00 N ATOM 930 CA ASP A 137 -1.938 -1.162 13.349 1.00 0.00 C ATOM 931 C ASP A 137 -1.319 -0.008 12.566 1.00 0.00 C ATOM 932 O ASP A 137 -1.797 1.125 12.627 1.00 0.00 O ATOM 933 CB ASP A 137 -1.000 -1.589 14.479 1.00 0.00 C ATOM 934 CG ASP A 137 -1.064 -0.653 15.670 1.00 0.00 C ATOM 935 OD1 ASP A 137 -1.998 -0.794 16.487 1.00 0.00 O ATOM 936 OD2 ASP A 137 -0.180 0.221 15.785 1.00 0.00 O ATOM 0 H ASP A 137 -1.790 -3.169 12.761 1.00 0.00 H new ATOM 0 HA ASP A 137 -2.880 -0.822 13.778 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -1.258 -2.598 14.800 1.00 0.00 H new ATOM 0 HB3 ASP A 137 0.023 -1.626 14.104 1.00 0.00 H new ATOM 941 N LYS A 138 -0.253 -0.304 11.831 1.00 0.00 N ATOM 942 CA LYS A 138 0.433 0.707 11.035 1.00 0.00 C ATOM 943 C LYS A 138 -0.550 1.449 10.134 1.00 0.00 C ATOM 944 O LYS A 138 -0.662 2.673 10.198 1.00 0.00 O ATOM 945 CB LYS A 138 1.531 0.061 10.187 1.00 0.00 C ATOM 946 CG LYS A 138 2.330 1.057 9.365 1.00 0.00 C ATOM 947 CD LYS A 138 3.303 1.841 10.231 1.00 0.00 C ATOM 948 CE LYS A 138 3.972 2.958 9.445 1.00 0.00 C ATOM 949 NZ LYS A 138 4.929 3.731 10.285 1.00 0.00 N ATOM 0 H LYS A 138 0.155 -1.237 11.770 1.00 0.00 H new ATOM 0 HA LYS A 138 0.886 1.425 11.718 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.210 -0.485 10.842 1.00 0.00 H new ATOM 0 HB3 LYS A 138 1.078 -0.670 9.517 1.00 0.00 H new ATOM 0 HG2 LYS A 138 2.879 0.529 8.585 1.00 0.00 H new ATOM 0 HG3 LYS A 138 1.650 1.746 8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.773 2.262 11.085 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.063 1.168 10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.499 2.535 8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 138 3.211 3.630 9.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 5.364 4.483 9.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 4.422 4.156 11.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 5.670 3.095 10.642 1.00 0.00 H new ATOM 963 N TRP A 139 -1.259 0.700 9.298 1.00 0.00 N ATOM 964 CA TRP A 139 -2.233 1.288 8.385 1.00 0.00 C ATOM 965 C TRP A 139 -3.062 2.357 9.088 1.00 0.00 C ATOM 966 O TRP A 139 -3.211 3.470 8.584 1.00 0.00 O ATOM 967 CB TRP A 139 -3.152 0.203 7.820 1.00 0.00 C ATOM 968 CG TRP A 139 -3.890 0.632 6.588 1.00 0.00 C ATOM 969 CD1 TRP A 139 -5.244 0.711 6.429 1.00 0.00 C ATOM 970 CD2 TRP A 139 -3.313 1.039 5.342 1.00 0.00 C ATOM 971 NE1 TRP A 139 -5.544 1.143 5.160 1.00 0.00 N ATOM 972 CE2 TRP A 139 -4.377 1.351 4.473 1.00 0.00 C ATOM 973 CE3 TRP A 139 -2.002 1.172 4.876 1.00 0.00 C ATOM 974 CZ2 TRP A 139 -4.168 1.787 3.167 1.00 0.00 C ATOM 975 CZ3 TRP A 139 -1.797 1.603 3.580 1.00 0.00 C ATOM 976 CH2 TRP A 139 -2.875 1.907 2.738 1.00 0.00 C ATOM 0 H TRP A 139 -1.178 -0.315 9.233 1.00 0.00 H new ATOM 0 HA TRP A 139 -1.689 1.757 7.566 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -2.559 -0.682 7.590 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -3.873 -0.087 8.584 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -5.972 0.469 7.189 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -6.483 1.286 4.789 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -1.164 0.942 5.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.997 2.022 2.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -0.788 1.708 3.209 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.681 2.243 1.730 1.00 0.00 H new ATOM 987 N ARG A 140 -3.599 2.012 10.254 1.00 0.00 N ATOM 988 CA ARG A 140 -4.414 2.943 11.025 1.00 0.00 C ATOM 989 C ARG A 140 -3.649 4.235 11.301 1.00 0.00 C ATOM 990 O ARG A 140 -4.210 5.327 11.227 1.00 0.00 O ATOM 991 CB ARG A 140 -4.847 2.303 12.345 1.00 0.00 C ATOM 992 CG ARG A 140 -6.147 1.522 12.245 1.00 0.00 C ATOM 993 CD ARG A 140 -6.774 1.306 13.614 1.00 0.00 C ATOM 994 NE ARG A 140 -7.138 2.567 14.254 1.00 0.00 N ATOM 995 CZ ARG A 140 -8.176 3.308 13.881 1.00 0.00 C ATOM 996 NH1 ARG A 140 -8.947 2.915 12.877 1.00 0.00 N ATOM 997 NH2 ARG A 140 -8.443 4.443 14.513 1.00 0.00 N ATOM 0 H ARG A 140 -3.484 1.095 10.685 1.00 0.00 H new ATOM 0 HA ARG A 140 -5.300 3.183 10.438 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -4.058 1.636 12.692 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -4.959 3.083 13.098 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -6.847 2.058 11.604 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.958 0.557 11.774 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -7.662 0.682 13.512 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -6.075 0.764 14.251 1.00 0.00 H new ATOM 0 HE ARG A 140 -6.564 2.897 15.030 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -8.744 2.042 12.389 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -9.743 3.485 12.592 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -7.851 4.748 15.286 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -9.240 5.011 14.226 1.00 0.00 H new ATOM 1011 N ASN A 141 -2.366 4.101 11.618 1.00 0.00 N ATOM 1012 CA ASN A 141 -1.525 5.257 11.906 1.00 0.00 C ATOM 1013 C ASN A 141 -1.236 6.050 10.635 1.00 0.00 C ATOM 1014 O ASN A 141 -1.285 7.280 10.633 1.00 0.00 O ATOM 1015 CB ASN A 141 -0.211 4.810 12.551 1.00 0.00 C ATOM 1016 CG ASN A 141 -0.294 4.772 14.065 1.00 0.00 C ATOM 1017 OD1 ASN A 141 -0.557 5.787 14.709 1.00 0.00 O ATOM 1018 ND2 ASN A 141 -0.068 3.597 14.640 1.00 0.00 N ATOM 0 H ASN A 141 -1.886 3.204 11.682 1.00 0.00 H new ATOM 0 HA ASN A 141 -2.063 5.902 12.601 1.00 0.00 H new ATOM 0 HB2 ASN A 141 0.055 3.820 12.179 1.00 0.00 H new ATOM 0 HB3 ASN A 141 0.587 5.488 12.250 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -0.109 3.510 15.655 1.00 0.00 H new ATOM 0 HD22 ASN A 141 0.147 2.781 14.066 1.00 0.00 H new ATOM 1025 N LEU A 142 -0.937 5.337 9.555 1.00 0.00 N ATOM 1026 CA LEU A 142 -0.641 5.973 8.276 1.00 0.00 C ATOM 1027 C LEU A 142 -1.748 6.946 7.883 1.00 0.00 C ATOM 1028 O LEU A 142 -1.479 8.044 7.394 1.00 0.00 O ATOM 1029 CB LEU A 142 -0.467 4.914 7.185 1.00 0.00 C ATOM 1030 CG LEU A 142 0.811 4.078 7.260 1.00 0.00 C ATOM 1031 CD1 LEU A 142 0.669 2.811 6.431 1.00 0.00 C ATOM 1032 CD2 LEU A 142 2.009 4.892 6.793 1.00 0.00 C ATOM 0 H LEU A 142 -0.893 4.318 9.539 1.00 0.00 H new ATOM 0 HA LEU A 142 0.289 6.532 8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -1.322 4.239 7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -0.496 5.412 6.216 1.00 0.00 H new ATOM 0 HG LEU A 142 0.975 3.791 8.299 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.588 2.229 6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.164 2.219 6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 142 0.481 3.076 5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 142 2.910 4.281 6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.854 5.209 5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 142 2.123 5.770 7.429 1.00 0.00 H new ATOM 1044 N LEU A 143 -2.993 6.537 8.102 1.00 0.00 N ATOM 1045 CA LEU A 143 -4.142 7.374 7.773 1.00 0.00 C ATOM 1046 C LEU A 143 -4.211 8.589 8.693 1.00 0.00 C ATOM 1047 O LEU A 143 -4.356 9.722 8.233 1.00 0.00 O ATOM 1048 CB LEU A 143 -5.435 6.564 7.881 1.00 0.00 C ATOM 1049 CG LEU A 143 -5.485 5.268 7.071 1.00 0.00 C ATOM 1050 CD1 LEU A 143 -6.612 4.374 7.564 1.00 0.00 C ATOM 1051 CD2 LEU A 143 -5.651 5.571 5.589 1.00 0.00 C ATOM 0 H LEU A 143 -3.233 5.631 8.506 1.00 0.00 H new ATOM 0 HA LEU A 143 -4.024 7.724 6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -5.600 6.320 8.930 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -6.264 7.198 7.567 1.00 0.00 H new ATOM 0 HG LEU A 143 -4.542 4.739 7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.632 3.456 6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.449 4.129 8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.563 4.895 7.456 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -5.685 4.637 5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -6.578 6.122 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -4.809 6.171 5.244 1.00 0.00 H new ATOM 1063 N LYS A 144 -4.106 8.346 9.995 1.00 0.00 N ATOM 1064 CA LYS A 144 -4.153 9.420 10.980 1.00 0.00 C ATOM 1065 C LYS A 144 -3.311 10.609 10.530 1.00 0.00 C ATOM 1066 O LYS A 144 -3.733 11.759 10.646 1.00 0.00 O ATOM 1067 CB LYS A 144 -3.658 8.916 12.338 1.00 0.00 C ATOM 1068 CG LYS A 144 -4.629 7.974 13.028 1.00 0.00 C ATOM 1069 CD LYS A 144 -4.454 8.000 14.537 1.00 0.00 C ATOM 1070 CE LYS A 144 -3.169 7.305 14.961 1.00 0.00 C ATOM 1071 NZ LYS A 144 -2.718 7.747 16.310 1.00 0.00 N ATOM 0 H LYS A 144 -3.988 7.414 10.393 1.00 0.00 H new ATOM 0 HA LYS A 144 -5.189 9.746 11.075 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -2.705 8.405 12.201 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -3.471 9.771 12.987 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -5.651 8.254 12.775 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -4.476 6.959 12.661 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -4.442 9.033 14.885 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -5.306 7.513 15.012 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -3.324 6.226 14.965 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -2.387 7.511 14.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -1.840 7.251 16.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -2.545 8.773 16.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -3.454 7.527 17.011 1.00 0.00 H new ATOM 1085 N GLU A 145 -2.119 10.324 10.014 1.00 0.00 N ATOM 1086 CA GLU A 145 -1.219 11.371 9.546 1.00 0.00 C ATOM 1087 C GLU A 145 -1.650 11.885 8.175 1.00 0.00 C ATOM 1088 O GLU A 145 -1.692 13.093 7.938 1.00 0.00 O ATOM 1089 CB GLU A 145 0.217 10.848 9.479 1.00 0.00 C ATOM 1090 CG GLU A 145 0.736 10.322 10.806 1.00 0.00 C ATOM 1091 CD GLU A 145 0.669 11.359 11.911 1.00 0.00 C ATOM 1092 OE1 GLU A 145 1.295 12.429 11.760 1.00 0.00 O ATOM 1093 OE2 GLU A 145 -0.009 11.099 12.927 1.00 0.00 O ATOM 0 H GLU A 145 -1.755 9.377 9.910 1.00 0.00 H new ATOM 0 HA GLU A 145 -1.264 12.197 10.255 1.00 0.00 H new ATOM 0 HB2 GLU A 145 0.270 10.052 8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 145 0.871 11.649 9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 145 0.155 9.447 11.098 1.00 0.00 H new ATOM 0 HG3 GLU A 145 1.768 9.993 10.684 1.00 0.00 H new ATOM 1100 N PHE A 146 -1.967 10.960 7.275 1.00 0.00 N ATOM 1101 CA PHE A 146 -2.392 11.319 5.927 1.00 0.00 C ATOM 1102 C PHE A 146 -3.441 12.427 5.964 1.00 0.00 C ATOM 1103 O PHE A 146 -3.390 13.372 5.178 1.00 0.00 O ATOM 1104 CB PHE A 146 -2.955 10.093 5.205 1.00 0.00 C ATOM 1105 CG PHE A 146 -1.907 9.279 4.500 1.00 0.00 C ATOM 1106 CD1 PHE A 146 -1.016 9.879 3.626 1.00 0.00 C ATOM 1107 CD2 PHE A 146 -1.813 7.913 4.713 1.00 0.00 C ATOM 1108 CE1 PHE A 146 -0.051 9.133 2.976 1.00 0.00 C ATOM 1109 CE2 PHE A 146 -0.850 7.162 4.067 1.00 0.00 C ATOM 1110 CZ PHE A 146 0.032 7.772 3.197 1.00 0.00 C ATOM 0 H PHE A 146 -1.938 9.956 7.455 1.00 0.00 H new ATOM 0 HA PHE A 146 -1.521 11.685 5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -3.470 9.460 5.928 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.700 10.419 4.479 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -1.076 10.943 3.450 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -2.500 7.430 5.392 1.00 0.00 H new ATOM 0 HE1 PHE A 146 0.637 9.613 2.296 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.787 6.098 4.242 1.00 0.00 H new ATOM 0 HZ PHE A 146 0.785 7.186 2.691 1.00 0.00 H new