USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 637 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 15 ASN : amide:sc= 0 X(o=1.2,f=1.1) USER MOD Set 1.2: A 19 THR OG1 : rot 56:sc= 1.23 USER MOD Single : A 11 THR OG1 : rot 34:sc= 0.0767 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -79:sc= 0.624 USER MOD Single : A 20 SER OG : rot -60:sc= -1.55! USER MOD Single : A 40 CYS SG : rot 31:sc= -1.45 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 57 ASN : amide:sc= -0.776 K(o=-0.78,f=-2.2!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.311 F(o=-1.9,f=-0.31) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 67 GLN : amide:sc= -0.891 X(o=-0.89,f=-1.3) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 84:sc= -0.795 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.023 X(o=0.023,f=-0.12) USER MOD Single : A 80 HIS : no HD1:sc= -0.0317 X(o=-0.032,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 165:sc= -0.0249 (180deg=-0.274) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0472 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.98 F(o=-2!,f=-0.98) USER MOD Single : A 98 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.19) USER MOD Single : A 99 GLN : amide:sc= -0.153 K(o=-0.15,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 121 N THR A 11 17.645 4.144 -0.396 1.00 0.00 N ATOM 122 CA THR A 11 17.298 2.745 -0.609 1.00 0.00 C ATOM 123 C THR A 11 16.728 2.121 0.660 1.00 0.00 C ATOM 124 O THR A 11 15.730 1.401 0.616 1.00 0.00 O ATOM 125 CB THR A 11 18.519 1.926 -1.067 1.00 0.00 C ATOM 126 OG1 THR A 11 19.055 2.479 -2.274 1.00 0.00 O ATOM 127 CG2 THR A 11 18.141 0.470 -1.294 1.00 0.00 C ATOM 0 HA THR A 11 16.541 2.723 -1.393 1.00 0.00 H new ATOM 0 HB THR A 11 19.273 1.970 -0.281 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.940 3.452 -2.267 1.00 0.00 H new ATOM 0 HG21 THR A 11 19.020 -0.088 -1.617 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.761 0.044 -0.365 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.370 0.410 -2.063 1.00 0.00 H new ATOM 135 N LYS A 12 17.368 2.401 1.790 1.00 0.00 N ATOM 136 CA LYS A 12 16.924 1.869 3.073 1.00 0.00 C ATOM 137 C LYS A 12 15.460 2.212 3.327 1.00 0.00 C ATOM 138 O LYS A 12 14.636 1.326 3.562 1.00 0.00 O ATOM 139 CB LYS A 12 17.792 2.421 4.206 1.00 0.00 C ATOM 140 CG LYS A 12 19.054 1.613 4.454 1.00 0.00 C ATOM 141 CD LYS A 12 19.904 2.231 5.552 1.00 0.00 C ATOM 142 CE LYS A 12 21.175 1.430 5.790 1.00 0.00 C ATOM 143 NZ LYS A 12 21.851 1.824 7.057 1.00 0.00 N ATOM 0 H LYS A 12 18.196 2.994 1.843 1.00 0.00 H new ATOM 0 HA LYS A 12 17.025 0.784 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.069 3.449 3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.203 2.450 5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.786 0.593 4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.635 1.552 3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.163 3.254 5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.327 2.282 6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.934 0.368 5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.858 1.576 4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 22.713 1.255 7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 22.104 2.832 7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 21.209 1.661 7.859 1.00 0.00 H new ATOM 157 N LEU A 13 15.142 3.501 3.279 1.00 0.00 N ATOM 158 CA LEU A 13 13.775 3.960 3.502 1.00 0.00 C ATOM 159 C LEU A 13 12.788 3.168 2.652 1.00 0.00 C ATOM 160 O LEU A 13 11.890 2.511 3.177 1.00 0.00 O ATOM 161 CB LEU A 13 13.660 5.452 3.182 1.00 0.00 C ATOM 162 CG LEU A 13 12.323 6.110 3.525 1.00 0.00 C ATOM 163 CD1 LEU A 13 12.131 6.175 5.032 1.00 0.00 C ATOM 164 CD2 LEU A 13 12.241 7.501 2.914 1.00 0.00 C ATOM 0 H LEU A 13 15.811 4.246 3.088 1.00 0.00 H new ATOM 0 HA LEU A 13 13.530 3.799 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.450 5.980 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.848 5.591 2.117 1.00 0.00 H new ATOM 0 HG LEU A 13 11.522 5.502 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.174 6.646 5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.144 5.166 5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.937 6.759 5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.283 7.954 3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.050 8.118 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.332 7.428 1.830 1.00 0.00 H new ATOM 176 N TRP A 14 12.963 3.233 1.337 1.00 0.00 N ATOM 177 CA TRP A 14 12.088 2.520 0.413 1.00 0.00 C ATOM 178 C TRP A 14 11.880 1.078 0.865 1.00 0.00 C ATOM 179 O TRP A 14 10.747 0.616 0.991 1.00 0.00 O ATOM 180 CB TRP A 14 12.674 2.545 -0.999 1.00 0.00 C ATOM 181 CG TRP A 14 11.897 1.719 -1.980 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.170 0.441 -2.373 1.00 0.00 C ATOM 183 CD2 TRP A 14 10.720 2.117 -2.692 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.235 0.019 -3.286 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.334 1.029 -3.498 1.00 0.00 C ATOM 186 CE3 TRP A 14 9.954 3.285 -2.725 1.00 0.00 C ATOM 187 CZ2 TRP A 14 9.217 1.077 -4.328 1.00 0.00 C ATOM 188 CZ3 TRP A 14 8.846 3.332 -3.549 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.485 2.234 -4.341 1.00 0.00 C ATOM 0 H TRP A 14 13.703 3.772 0.887 1.00 0.00 H new ATOM 0 HA TRP A 14 11.121 3.023 0.406 1.00 0.00 H new ATOM 0 HB2 TRP A 14 12.710 3.576 -1.351 1.00 0.00 H new ATOM 0 HB3 TRP A 14 13.702 2.184 -0.964 1.00 0.00 H new ATOM 0 HD1 TRP A 14 13.000 -0.152 -2.018 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.215 -0.897 -3.734 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.223 4.136 -2.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 8.938 0.232 -4.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.248 4.231 -3.583 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.613 2.302 -4.974 1.00 0.00 H new ATOM 200 N ASN A 15 12.980 0.373 1.107 1.00 0.00 N ATOM 201 CA ASN A 15 12.917 -1.016 1.544 1.00 0.00 C ATOM 202 C ASN A 15 12.102 -1.146 2.827 1.00 0.00 C ATOM 203 O ASN A 15 11.222 -2.000 2.931 1.00 0.00 O ATOM 204 CB ASN A 15 14.327 -1.568 1.764 1.00 0.00 C ATOM 205 CG ASN A 15 14.410 -3.061 1.508 1.00 0.00 C ATOM 206 OD1 ASN A 15 13.828 -3.861 2.241 1.00 0.00 O ATOM 207 ND2 ASN A 15 15.137 -3.442 0.464 1.00 0.00 N ATOM 0 H ASN A 15 13.926 0.741 1.008 1.00 0.00 H new ATOM 0 HA ASN A 15 12.426 -1.595 0.762 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.024 -1.050 1.105 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.640 -1.360 2.787 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.230 -4.433 0.242 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.602 -2.743 -0.116 1.00 0.00 H new ATOM 214 N GLU A 16 12.402 -0.293 3.801 1.00 0.00 N ATOM 215 CA GLU A 16 11.697 -0.313 5.078 1.00 0.00 C ATOM 216 C GLU A 16 10.189 -0.205 4.868 1.00 0.00 C ATOM 217 O GLU A 16 9.426 -1.062 5.314 1.00 0.00 O ATOM 218 CB GLU A 16 12.181 0.830 5.972 1.00 0.00 C ATOM 219 CG GLU A 16 13.455 0.508 6.735 1.00 0.00 C ATOM 220 CD GLU A 16 13.191 -0.285 8.000 1.00 0.00 C ATOM 221 OE1 GLU A 16 12.941 -1.504 7.895 1.00 0.00 O ATOM 222 OE2 GLU A 16 13.236 0.312 9.096 1.00 0.00 O ATOM 0 H GLU A 16 13.128 0.420 3.731 1.00 0.00 H new ATOM 0 HA GLU A 16 11.912 -1.263 5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.349 1.714 5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.395 1.081 6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.128 -0.057 6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.965 1.436 6.992 1.00 0.00 H new ATOM 229 N VAL A 17 9.767 0.855 4.186 1.00 0.00 N ATOM 230 CA VAL A 17 8.351 1.076 3.916 1.00 0.00 C ATOM 231 C VAL A 17 7.748 -0.096 3.150 1.00 0.00 C ATOM 232 O VAL A 17 6.793 -0.726 3.607 1.00 0.00 O ATOM 233 CB VAL A 17 8.129 2.370 3.111 1.00 0.00 C ATOM 234 CG1 VAL A 17 6.657 2.536 2.762 1.00 0.00 C ATOM 235 CG2 VAL A 17 8.641 3.575 3.886 1.00 0.00 C ATOM 0 H VAL A 17 10.385 1.574 3.810 1.00 0.00 H new ATOM 0 HA VAL A 17 7.855 1.168 4.882 1.00 0.00 H new ATOM 0 HB VAL A 17 8.693 2.299 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.519 3.456 2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.327 1.687 2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.069 2.585 3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.476 4.480 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.107 3.652 4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.707 3.457 4.079 1.00 0.00 H new ATOM 245 N THR A 18 8.311 -0.385 1.982 1.00 0.00 N ATOM 246 CA THR A 18 7.829 -1.481 1.151 1.00 0.00 C ATOM 247 C THR A 18 7.700 -2.767 1.959 1.00 0.00 C ATOM 248 O THR A 18 6.756 -3.537 1.776 1.00 0.00 O ATOM 249 CB THR A 18 8.765 -1.733 -0.046 1.00 0.00 C ATOM 250 OG1 THR A 18 10.100 -1.969 0.417 1.00 0.00 O ATOM 251 CG2 THR A 18 8.756 -0.547 -0.999 1.00 0.00 C ATOM 0 H THR A 18 9.102 0.125 1.589 1.00 0.00 H new ATOM 0 HA THR A 18 6.847 -1.187 0.779 1.00 0.00 H new ATOM 0 HB THR A 18 8.406 -2.612 -0.581 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.527 -1.114 0.632 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.424 -0.748 -1.836 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.744 -0.388 -1.372 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.093 0.346 -0.472 1.00 0.00 H new ATOM 259 N THR A 19 8.654 -2.996 2.856 1.00 0.00 N ATOM 260 CA THR A 19 8.647 -4.190 3.692 1.00 0.00 C ATOM 261 C THR A 19 7.445 -4.197 4.630 1.00 0.00 C ATOM 262 O THR A 19 6.794 -5.226 4.813 1.00 0.00 O ATOM 263 CB THR A 19 9.936 -4.298 4.528 1.00 0.00 C ATOM 264 OG1 THR A 19 11.073 -4.401 3.664 1.00 0.00 O ATOM 265 CG2 THR A 19 9.883 -5.506 5.452 1.00 0.00 C ATOM 0 H THR A 19 9.442 -2.370 3.022 1.00 0.00 H new ATOM 0 HA THR A 19 8.586 -5.046 3.020 1.00 0.00 H new ATOM 0 HB THR A 19 10.024 -3.399 5.137 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.085 -3.639 3.047 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.804 -5.561 6.032 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.034 -5.410 6.128 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.773 -6.414 4.858 1.00 0.00 H new ATOM 273 N SER A 20 7.154 -3.042 5.221 1.00 0.00 N ATOM 274 CA SER A 20 6.031 -2.917 6.143 1.00 0.00 C ATOM 275 C SER A 20 4.704 -3.004 5.396 1.00 0.00 C ATOM 276 O SER A 20 3.767 -3.663 5.847 1.00 0.00 O ATOM 277 CB SER A 20 6.115 -1.593 6.905 1.00 0.00 C ATOM 278 OG SER A 20 5.860 -0.494 6.048 1.00 0.00 O ATOM 0 H SER A 20 7.680 -2.180 5.078 1.00 0.00 H new ATOM 0 HA SER A 20 6.082 -3.741 6.855 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.395 -1.595 7.723 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.104 -1.489 7.351 1.00 0.00 H new ATOM 0 HG SER A 20 6.520 -0.484 5.323 1.00 0.00 H new ATOM 284 N PHE A 21 4.631 -2.333 4.251 1.00 0.00 N ATOM 285 CA PHE A 21 3.419 -2.332 3.441 1.00 0.00 C ATOM 286 C PHE A 21 3.111 -3.733 2.922 1.00 0.00 C ATOM 287 O PHE A 21 2.032 -4.275 3.167 1.00 0.00 O ATOM 288 CB PHE A 21 3.565 -1.362 2.267 1.00 0.00 C ATOM 289 CG PHE A 21 2.433 -1.437 1.283 1.00 0.00 C ATOM 290 CD1 PHE A 21 2.339 -2.496 0.395 1.00 0.00 C ATOM 291 CD2 PHE A 21 1.463 -0.448 1.246 1.00 0.00 C ATOM 292 CE1 PHE A 21 1.298 -2.568 -0.512 1.00 0.00 C ATOM 293 CE2 PHE A 21 0.420 -0.515 0.341 1.00 0.00 C ATOM 294 CZ PHE A 21 0.338 -1.576 -0.539 1.00 0.00 C ATOM 0 H PHE A 21 5.397 -1.783 3.863 1.00 0.00 H new ATOM 0 HA PHE A 21 2.591 -2.007 4.071 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.634 -0.345 2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.501 -1.570 1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.088 -3.274 0.411 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.522 0.384 1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.236 -3.399 -1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.330 0.262 0.322 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.476 -1.630 -1.247 1.00 0.00 H new ATOM 304 N ARG A 22 4.065 -4.315 2.204 1.00 0.00 N ATOM 305 CA ARG A 22 3.896 -5.652 1.648 1.00 0.00 C ATOM 306 C ARG A 22 3.229 -6.581 2.659 1.00 0.00 C ATOM 307 O ARG A 22 2.236 -7.239 2.351 1.00 0.00 O ATOM 308 CB ARG A 22 5.250 -6.228 1.227 1.00 0.00 C ATOM 309 CG ARG A 22 5.167 -7.171 0.038 1.00 0.00 C ATOM 310 CD ARG A 22 6.236 -8.250 0.107 1.00 0.00 C ATOM 311 NE ARG A 22 7.453 -7.861 -0.599 1.00 0.00 N ATOM 312 CZ ARG A 22 8.431 -7.153 -0.044 1.00 0.00 C ATOM 313 NH1 ARG A 22 8.335 -6.760 1.219 1.00 0.00 N ATOM 314 NH2 ARG A 22 9.508 -6.838 -0.752 1.00 0.00 N ATOM 0 H ARG A 22 4.964 -3.881 1.993 1.00 0.00 H new ATOM 0 HA ARG A 22 3.253 -5.575 0.771 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.924 -5.407 0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.688 -6.760 2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.181 -7.635 0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.280 -6.604 -0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.473 -8.459 1.150 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.847 -9.173 -0.323 1.00 0.00 H new ATOM 0 HE ARG A 22 7.558 -8.148 -1.572 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.509 -7.001 1.767 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.087 -6.217 1.643 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.586 -7.139 -1.723 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.258 -6.294 -0.325 1.00 0.00 H new ATOM 328 N ALA A 23 3.782 -6.627 3.866 1.00 0.00 N ATOM 329 CA ALA A 23 3.240 -7.473 4.922 1.00 0.00 C ATOM 330 C ALA A 23 1.993 -6.850 5.539 1.00 0.00 C ATOM 331 O ALA A 23 0.898 -7.403 5.443 1.00 0.00 O ATOM 332 CB ALA A 23 4.293 -7.721 5.993 1.00 0.00 C ATOM 0 H ALA A 23 4.605 -6.089 4.137 1.00 0.00 H new ATOM 0 HA ALA A 23 2.956 -8.427 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.874 -8.354 6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.155 -8.217 5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.604 -6.770 6.424 1.00 0.00 H new ATOM 338 N GLY A 24 2.166 -5.694 6.174 1.00 0.00 N ATOM 339 CA GLY A 24 1.045 -5.015 6.798 1.00 0.00 C ATOM 340 C GLY A 24 0.014 -5.982 7.345 1.00 0.00 C ATOM 341 O GLY A 24 0.265 -6.674 8.332 1.00 0.00 O ATOM 0 H GLY A 24 3.062 -5.216 6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.411 -4.383 7.607 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.571 -4.357 6.069 1.00 0.00 H new ATOM 622 N CYS A 40 -9.123 -9.178 -2.587 1.00 0.00 N ATOM 623 CA CYS A 40 -8.547 -7.917 -3.039 1.00 0.00 C ATOM 624 C CYS A 40 -8.956 -6.771 -2.119 1.00 0.00 C ATOM 625 O CYS A 40 -9.759 -6.953 -1.203 1.00 0.00 O ATOM 626 CB CYS A 40 -8.985 -7.617 -4.473 1.00 0.00 C ATOM 627 SG CYS A 40 -8.376 -8.803 -5.695 1.00 0.00 S ATOM 0 HA CYS A 40 -7.461 -8.011 -3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -10.074 -7.598 -4.512 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.639 -6.620 -4.746 1.00 0.00 H new ATOM 0 HG CYS A 40 -8.247 -9.971 -5.139 1.00 0.00 H new ATOM 633 N PHE A 41 -8.398 -5.591 -2.367 1.00 0.00 N ATOM 634 CA PHE A 41 -8.703 -4.416 -1.560 1.00 0.00 C ATOM 635 C PHE A 41 -8.705 -3.153 -2.416 1.00 0.00 C ATOM 636 O PHE A 41 -7.877 -2.996 -3.314 1.00 0.00 O ATOM 637 CB PHE A 41 -7.688 -4.274 -0.424 1.00 0.00 C ATOM 638 CG PHE A 41 -6.270 -4.520 -0.853 1.00 0.00 C ATOM 639 CD1 PHE A 41 -5.531 -3.516 -1.458 1.00 0.00 C ATOM 640 CD2 PHE A 41 -5.676 -5.756 -0.653 1.00 0.00 C ATOM 641 CE1 PHE A 41 -4.226 -3.738 -1.854 1.00 0.00 C ATOM 642 CE2 PHE A 41 -4.371 -5.984 -1.047 1.00 0.00 C ATOM 643 CZ PHE A 41 -3.645 -4.975 -1.649 1.00 0.00 C ATOM 0 H PHE A 41 -7.732 -5.423 -3.121 1.00 0.00 H new ATOM 0 HA PHE A 41 -9.698 -4.547 -1.135 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.763 -3.271 -0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.945 -4.973 0.372 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.981 -2.548 -1.622 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.239 -6.550 -0.184 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.661 -2.946 -2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.919 -6.951 -0.884 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.626 -5.152 -1.959 1.00 0.00 H new ATOM 653 N THR A 42 -9.643 -2.254 -2.132 1.00 0.00 N ATOM 654 CA THR A 42 -9.755 -1.006 -2.876 1.00 0.00 C ATOM 655 C THR A 42 -8.587 -0.076 -2.569 1.00 0.00 C ATOM 656 O THR A 42 -8.163 0.045 -1.420 1.00 0.00 O ATOM 657 CB THR A 42 -11.074 -0.278 -2.556 1.00 0.00 C ATOM 658 OG1 THR A 42 -11.217 -0.122 -1.140 1.00 0.00 O ATOM 659 CG2 THR A 42 -12.265 -1.047 -3.110 1.00 0.00 C ATOM 0 H THR A 42 -10.336 -2.368 -1.392 1.00 0.00 H new ATOM 0 HA THR A 42 -9.740 -1.267 -3.934 1.00 0.00 H new ATOM 0 HB THR A 42 -11.045 0.704 -3.028 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.057 0.343 -0.945 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.185 -0.514 -2.872 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.168 -1.138 -4.192 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.296 -2.041 -2.664 1.00 0.00 H new ATOM 667 N ALA A 43 -8.071 0.580 -3.603 1.00 0.00 N ATOM 668 CA ALA A 43 -6.954 1.502 -3.442 1.00 0.00 C ATOM 669 C ALA A 43 -7.167 2.420 -2.244 1.00 0.00 C ATOM 670 O ALA A 43 -6.278 2.586 -1.410 1.00 0.00 O ATOM 671 CB ALA A 43 -6.759 2.322 -4.710 1.00 0.00 C ATOM 0 H ALA A 43 -8.409 0.490 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.054 0.914 -3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.921 3.006 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.552 1.655 -5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.664 2.893 -4.917 1.00 0.00 H new ATOM 677 N GLY A 44 -8.353 3.016 -2.164 1.00 0.00 N ATOM 678 CA GLY A 44 -8.662 3.911 -1.064 1.00 0.00 C ATOM 679 C GLY A 44 -8.149 3.394 0.265 1.00 0.00 C ATOM 680 O GLY A 44 -7.251 3.985 0.863 1.00 0.00 O ATOM 0 H GLY A 44 -9.106 2.895 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.226 4.890 -1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.742 4.049 -1.004 1.00 0.00 H new ATOM 684 N GLU A 45 -8.723 2.288 0.729 1.00 0.00 N ATOM 685 CA GLU A 45 -8.319 1.694 1.998 1.00 0.00 C ATOM 686 C GLU A 45 -6.801 1.718 2.152 1.00 0.00 C ATOM 687 O GLU A 45 -6.279 2.103 3.198 1.00 0.00 O ATOM 688 CB GLU A 45 -8.829 0.255 2.098 1.00 0.00 C ATOM 689 CG GLU A 45 -9.108 -0.195 3.522 1.00 0.00 C ATOM 690 CD GLU A 45 -10.533 0.090 3.956 1.00 0.00 C ATOM 691 OE1 GLU A 45 -11.466 -0.339 3.245 1.00 0.00 O ATOM 692 OE2 GLU A 45 -10.715 0.742 5.005 1.00 0.00 O ATOM 0 H GLU A 45 -9.468 1.786 0.246 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.758 2.285 2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.742 0.161 1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.093 -0.414 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.914 -1.264 3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.418 0.308 4.200 1.00 0.00 H new ATOM 699 N ALA A 46 -6.099 1.305 1.102 1.00 0.00 N ATOM 700 CA ALA A 46 -4.642 1.281 1.119 1.00 0.00 C ATOM 701 C ALA A 46 -4.073 2.658 1.447 1.00 0.00 C ATOM 702 O ALA A 46 -3.147 2.784 2.248 1.00 0.00 O ATOM 703 CB ALA A 46 -4.106 0.791 -0.218 1.00 0.00 C ATOM 0 H ALA A 46 -6.516 0.982 0.229 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.324 0.590 1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.016 0.778 -0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.476 -0.216 -0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.441 1.459 -1.011 1.00 0.00 H new ATOM 709 N VAL A 47 -4.634 3.688 0.821 1.00 0.00 N ATOM 710 CA VAL A 47 -4.183 5.056 1.047 1.00 0.00 C ATOM 711 C VAL A 47 -3.963 5.325 2.531 1.00 0.00 C ATOM 712 O VAL A 47 -2.965 5.931 2.922 1.00 0.00 O ATOM 713 CB VAL A 47 -5.195 6.078 0.496 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.734 7.498 0.790 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.398 5.874 -0.998 1.00 0.00 C ATOM 0 H VAL A 47 -5.401 3.601 0.154 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.237 5.169 0.517 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.151 5.921 0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.461 8.206 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.644 7.636 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.766 7.671 0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.116 6.604 -1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.447 6.003 -1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.776 4.868 -1.180 1.00 0.00 H new ATOM 725 N ASP A 48 -4.901 4.869 3.354 1.00 0.00 N ATOM 726 CA ASP A 48 -4.809 5.059 4.798 1.00 0.00 C ATOM 727 C ASP A 48 -3.728 4.164 5.395 1.00 0.00 C ATOM 728 O ASP A 48 -2.816 4.643 6.069 1.00 0.00 O ATOM 729 CB ASP A 48 -6.157 4.763 5.459 1.00 0.00 C ATOM 730 CG ASP A 48 -6.311 5.460 6.796 1.00 0.00 C ATOM 731 OD1 ASP A 48 -5.793 6.587 6.941 1.00 0.00 O ATOM 732 OD2 ASP A 48 -6.950 4.879 7.697 1.00 0.00 O ATOM 0 H ASP A 48 -5.733 4.366 3.047 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.541 6.098 4.988 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.961 5.077 4.794 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.261 3.687 5.599 1.00 0.00 H new ATOM 737 N TRP A 49 -3.837 2.865 5.145 1.00 0.00 N ATOM 738 CA TRP A 49 -2.869 1.903 5.660 1.00 0.00 C ATOM 739 C TRP A 49 -1.443 2.382 5.414 1.00 0.00 C ATOM 740 O TRP A 49 -0.584 2.286 6.292 1.00 0.00 O ATOM 741 CB TRP A 49 -3.081 0.536 5.008 1.00 0.00 C ATOM 742 CG TRP A 49 -1.835 -0.296 4.955 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.374 -1.013 3.888 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.893 -0.497 6.014 1.00 0.00 C ATOM 745 NE1 TRP A 49 -0.202 -1.649 4.220 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.115 -1.348 5.519 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.802 -0.041 7.332 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.197 -1.750 6.296 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.273 -0.442 8.102 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.261 -1.288 7.583 1.00 0.00 C ATOM 0 H TRP A 49 -4.586 2.453 4.589 1.00 0.00 H new ATOM 0 HA TRP A 49 -3.021 1.812 6.735 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.849 -0.007 5.560 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.457 0.679 3.995 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.859 -1.072 2.925 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.344 -2.248 3.600 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.558 0.613 7.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.959 -2.403 5.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.353 -0.097 9.122 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.090 -1.582 8.210 1.00 0.00 H new ATOM 761 N LEU A 50 -1.195 2.899 4.215 1.00 0.00 N ATOM 762 CA LEU A 50 0.128 3.394 3.854 1.00 0.00 C ATOM 763 C LEU A 50 0.371 4.781 4.442 1.00 0.00 C ATOM 764 O LEU A 50 1.388 5.021 5.093 1.00 0.00 O ATOM 765 CB LEU A 50 0.280 3.440 2.332 1.00 0.00 C ATOM 766 CG LEU A 50 1.638 3.905 1.806 1.00 0.00 C ATOM 767 CD1 LEU A 50 2.689 2.826 2.014 1.00 0.00 C ATOM 768 CD2 LEU A 50 1.539 4.282 0.335 1.00 0.00 C ATOM 0 H LEU A 50 -1.893 2.986 3.477 1.00 0.00 H new ATOM 0 HA LEU A 50 0.869 2.709 4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.082 2.444 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.488 4.101 1.930 1.00 0.00 H new ATOM 0 HG LEU A 50 1.941 4.789 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.649 3.175 1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.779 2.606 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.394 1.923 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.515 4.611 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.214 3.416 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.817 5.090 0.214 1.00 0.00 H new ATOM 780 N TYR A 51 -0.571 5.689 4.211 1.00 0.00 N ATOM 781 CA TYR A 51 -0.460 7.051 4.717 1.00 0.00 C ATOM 782 C TYR A 51 -0.053 7.054 6.188 1.00 0.00 C ATOM 783 O TYR A 51 0.975 7.622 6.558 1.00 0.00 O ATOM 784 CB TYR A 51 -1.786 7.793 4.542 1.00 0.00 C ATOM 785 CG TYR A 51 -1.924 9.006 5.433 1.00 0.00 C ATOM 786 CD1 TYR A 51 -1.280 10.198 5.122 1.00 0.00 C ATOM 787 CD2 TYR A 51 -2.697 8.961 6.586 1.00 0.00 C ATOM 788 CE1 TYR A 51 -1.403 11.309 5.934 1.00 0.00 C ATOM 789 CE2 TYR A 51 -2.827 10.068 7.403 1.00 0.00 C ATOM 790 CZ TYR A 51 -2.177 11.239 7.073 1.00 0.00 C ATOM 791 OH TYR A 51 -2.303 12.343 7.885 1.00 0.00 O ATOM 0 H TYR A 51 -1.420 5.506 3.676 1.00 0.00 H new ATOM 0 HA TYR A 51 0.313 7.562 4.143 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.884 8.104 3.502 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.607 7.106 4.748 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.673 10.257 4.231 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.205 8.045 6.849 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.896 12.227 5.678 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.434 10.017 8.295 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.883 12.126 8.644 1.00 0.00 H new ATOM 801 N ASP A 52 -0.867 6.416 7.021 1.00 0.00 N ATOM 802 CA ASP A 52 -0.593 6.342 8.451 1.00 0.00 C ATOM 803 C ASP A 52 0.797 5.769 8.709 1.00 0.00 C ATOM 804 O ASP A 52 1.521 6.240 9.588 1.00 0.00 O ATOM 805 CB ASP A 52 -1.649 5.485 9.151 1.00 0.00 C ATOM 806 CG ASP A 52 -1.500 5.500 10.660 1.00 0.00 C ATOM 807 OD1 ASP A 52 -0.453 5.035 11.156 1.00 0.00 O ATOM 808 OD2 ASP A 52 -2.430 5.976 11.344 1.00 0.00 O ATOM 0 H ASP A 52 -1.722 5.942 6.731 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.631 7.353 8.856 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.642 5.847 8.883 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.576 4.458 8.792 1.00 0.00 H new ATOM 813 N LEU A 53 1.164 4.751 7.940 1.00 0.00 N ATOM 814 CA LEU A 53 2.468 4.112 8.085 1.00 0.00 C ATOM 815 C LEU A 53 3.592 5.090 7.760 1.00 0.00 C ATOM 816 O LEU A 53 4.665 5.042 8.363 1.00 0.00 O ATOM 817 CB LEU A 53 2.562 2.887 7.174 1.00 0.00 C ATOM 818 CG LEU A 53 3.964 2.314 6.964 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.274 1.262 8.018 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.095 1.726 5.566 1.00 0.00 C ATOM 0 H LEU A 53 0.577 4.349 7.209 1.00 0.00 H new ATOM 0 HA LEU A 53 2.576 3.794 9.122 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.928 2.102 7.587 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.149 3.150 6.200 1.00 0.00 H new ATOM 0 HG LEU A 53 4.686 3.124 7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.276 0.865 7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.221 1.713 9.009 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.547 0.452 7.949 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.099 1.323 5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.363 0.928 5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.917 2.505 4.825 1.00 0.00 H new ATOM 832 N LEU A 54 3.339 5.978 6.804 1.00 0.00 N ATOM 833 CA LEU A 54 4.329 6.969 6.400 1.00 0.00 C ATOM 834 C LEU A 54 4.532 8.014 7.492 1.00 0.00 C ATOM 835 O LEU A 54 5.644 8.203 7.986 1.00 0.00 O ATOM 836 CB LEU A 54 3.896 7.651 5.101 1.00 0.00 C ATOM 837 CG LEU A 54 3.764 6.742 3.878 1.00 0.00 C ATOM 838 CD1 LEU A 54 2.989 7.444 2.773 1.00 0.00 C ATOM 839 CD2 LEU A 54 5.137 6.316 3.380 1.00 0.00 C ATOM 0 H LEU A 54 2.457 6.031 6.295 1.00 0.00 H new ATOM 0 HA LEU A 54 5.275 6.454 6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.936 8.138 5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.615 8.437 4.869 1.00 0.00 H new ATOM 0 HG LEU A 54 3.212 5.849 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.905 6.782 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.992 7.699 3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.514 8.354 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.024 5.670 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.714 7.199 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.658 5.774 4.169 1.00 0.00 H new ATOM 851 N ARG A 55 3.449 8.688 7.867 1.00 0.00 N ATOM 852 CA ARG A 55 3.508 9.713 8.903 1.00 0.00 C ATOM 853 C ARG A 55 4.136 9.161 10.179 1.00 0.00 C ATOM 854 O ARG A 55 4.950 9.825 10.819 1.00 0.00 O ATOM 855 CB ARG A 55 2.106 10.247 9.201 1.00 0.00 C ATOM 856 CG ARG A 55 1.186 9.220 9.839 1.00 0.00 C ATOM 857 CD ARG A 55 -0.203 9.790 10.082 1.00 0.00 C ATOM 858 NE ARG A 55 -0.210 10.773 11.161 1.00 0.00 N ATOM 859 CZ ARG A 55 -0.169 10.451 12.449 1.00 0.00 C ATOM 860 NH1 ARG A 55 -0.117 9.178 12.816 1.00 0.00 N ATOM 861 NH2 ARG A 55 -0.178 11.403 13.373 1.00 0.00 N ATOM 0 H ARG A 55 2.521 8.543 7.469 1.00 0.00 H new ATOM 0 HA ARG A 55 4.130 10.529 8.537 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.188 11.109 9.863 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.656 10.599 8.273 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.113 8.345 9.194 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.613 8.885 10.784 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.570 10.254 9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.890 8.979 10.326 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.248 11.761 10.912 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.108 8.443 12.109 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.086 8.933 13.806 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.216 12.384 13.095 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.147 11.154 14.362 1.00 0.00 H new ATOM 875 N ASN A 56 3.751 7.942 10.543 1.00 0.00 N ATOM 876 CA ASN A 56 4.275 7.301 11.743 1.00 0.00 C ATOM 877 C ASN A 56 5.793 7.440 11.815 1.00 0.00 C ATOM 878 O ASN A 56 6.355 7.666 12.886 1.00 0.00 O ATOM 879 CB ASN A 56 3.886 5.822 11.768 1.00 0.00 C ATOM 880 CG ASN A 56 4.003 5.216 13.154 1.00 0.00 C ATOM 881 OD1 ASN A 56 5.090 4.833 13.585 1.00 0.00 O ATOM 882 ND2 ASN A 56 2.881 5.128 13.858 1.00 0.00 N ATOM 0 H ASN A 56 3.078 7.378 10.024 1.00 0.00 H new ATOM 0 HA ASN A 56 3.840 7.799 12.610 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.862 5.713 11.412 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.524 5.270 11.078 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.898 4.730 14.797 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.002 5.459 13.460 1.00 0.00 H new ATOM 889 N ASN A 57 6.449 7.304 10.668 1.00 0.00 N ATOM 890 CA ASN A 57 7.902 7.414 10.600 1.00 0.00 C ATOM 891 C ASN A 57 8.354 8.840 10.902 1.00 0.00 C ATOM 892 O ASN A 57 7.531 9.731 11.113 1.00 0.00 O ATOM 893 CB ASN A 57 8.403 6.990 9.218 1.00 0.00 C ATOM 894 CG ASN A 57 9.823 6.459 9.256 1.00 0.00 C ATOM 895 OD1 ASN A 57 10.252 5.874 10.250 1.00 0.00 O ATOM 896 ND2 ASN A 57 10.559 6.660 8.169 1.00 0.00 N ATOM 0 H ASN A 57 5.998 7.117 9.772 1.00 0.00 H new ATOM 0 HA ASN A 57 8.327 6.750 11.352 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.742 6.223 8.814 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.355 7.842 8.540 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.521 6.324 8.135 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.162 7.150 7.368 1.00 0.00 H new ATOM 903 N SER A 58 9.667 9.047 10.921 1.00 0.00 N ATOM 904 CA SER A 58 10.228 10.363 11.200 1.00 0.00 C ATOM 905 C SER A 58 10.573 11.093 9.905 1.00 0.00 C ATOM 906 O SER A 58 10.386 12.304 9.793 1.00 0.00 O ATOM 907 CB SER A 58 11.478 10.233 12.073 1.00 0.00 C ATOM 908 OG SER A 58 11.767 11.452 12.736 1.00 0.00 O ATOM 0 H SER A 58 10.361 8.320 10.747 1.00 0.00 H new ATOM 0 HA SER A 58 9.477 10.944 11.736 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.331 9.442 12.808 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.328 9.941 11.456 1.00 0.00 H new ATOM 0 HG SER A 58 12.569 11.342 13.288 1.00 0.00 H new ATOM 914 N ASN A 59 11.077 10.346 8.929 1.00 0.00 N ATOM 915 CA ASN A 59 11.449 10.920 7.641 1.00 0.00 C ATOM 916 C ASN A 59 10.283 11.695 7.034 1.00 0.00 C ATOM 917 O ASN A 59 10.422 12.863 6.672 1.00 0.00 O ATOM 918 CB ASN A 59 11.900 9.819 6.679 1.00 0.00 C ATOM 919 CG ASN A 59 12.554 10.376 5.428 1.00 0.00 C ATOM 920 OD1 ASN A 59 11.773 11.077 4.615 1.00 0.00 O flip ATOM 921 ND2 ASN A 59 13.746 10.177 5.197 1.00 0.00 N flip ATOM 0 H ASN A 59 11.237 9.342 9.005 1.00 0.00 H new ATOM 0 HA ASN A 59 12.276 11.611 7.805 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.602 9.159 7.189 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.040 9.212 6.397 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.308 9.632 5.851 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.172 10.557 4.352 1.00 0.00 H new ATOM 928 N PHE A 60 9.134 11.036 6.927 1.00 0.00 N ATOM 929 CA PHE A 60 7.943 11.662 6.364 1.00 0.00 C ATOM 930 C PHE A 60 7.246 12.536 7.402 1.00 0.00 C ATOM 931 O PHE A 60 6.782 13.633 7.095 1.00 0.00 O ATOM 932 CB PHE A 60 6.977 10.595 5.846 1.00 0.00 C ATOM 933 CG PHE A 60 7.548 9.754 4.740 1.00 0.00 C ATOM 934 CD1 PHE A 60 8.436 8.728 5.021 1.00 0.00 C ATOM 935 CD2 PHE A 60 7.197 9.989 3.421 1.00 0.00 C ATOM 936 CE1 PHE A 60 8.964 7.953 4.006 1.00 0.00 C ATOM 937 CE2 PHE A 60 7.721 9.217 2.401 1.00 0.00 C ATOM 938 CZ PHE A 60 8.605 8.197 2.694 1.00 0.00 C ATOM 0 H PHE A 60 9.002 10.069 7.223 1.00 0.00 H new ATOM 0 HA PHE A 60 8.254 12.295 5.533 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.688 9.946 6.673 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.069 11.081 5.490 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.719 8.532 6.045 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.506 10.785 3.187 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.657 7.157 4.238 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.440 9.411 1.377 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.015 7.591 1.899 1.00 0.00 H new ATOM 948 N GLY A 61 7.175 12.040 8.634 1.00 0.00 N ATOM 949 CA GLY A 61 6.533 12.787 9.699 1.00 0.00 C ATOM 950 C GLY A 61 5.065 13.047 9.421 1.00 0.00 C ATOM 951 O GLY A 61 4.536 12.681 8.371 1.00 0.00 O ATOM 0 H GLY A 61 7.551 11.134 8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.631 12.237 10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.048 13.738 9.833 1.00 0.00 H new ATOM 955 N PRO A 62 4.383 13.691 10.379 1.00 0.00 N ATOM 956 CA PRO A 62 2.958 14.013 10.256 1.00 0.00 C ATOM 957 C PRO A 62 2.695 15.089 9.208 1.00 0.00 C ATOM 958 O PRO A 62 1.545 15.390 8.890 1.00 0.00 O ATOM 959 CB PRO A 62 2.587 14.523 11.651 1.00 0.00 C ATOM 960 CG PRO A 62 3.866 15.034 12.219 1.00 0.00 C ATOM 961 CD PRO A 62 4.950 14.156 11.656 1.00 0.00 C ATOM 0 HA PRO A 62 2.373 13.152 9.933 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.835 15.310 11.598 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.171 13.725 12.267 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.026 16.076 11.944 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.854 14.990 13.308 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.878 14.709 11.506 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.179 13.323 12.321 1.00 0.00 H new ATOM 969 N GLU A 63 3.768 15.664 8.675 1.00 0.00 N ATOM 970 CA GLU A 63 3.651 16.707 7.662 1.00 0.00 C ATOM 971 C GLU A 63 3.059 16.149 6.371 1.00 0.00 C ATOM 972 O GLU A 63 2.391 16.861 5.622 1.00 0.00 O ATOM 973 CB GLU A 63 5.020 17.331 7.380 1.00 0.00 C ATOM 974 CG GLU A 63 6.081 16.317 6.984 1.00 0.00 C ATOM 975 CD GLU A 63 7.303 16.965 6.362 1.00 0.00 C ATOM 976 OE1 GLU A 63 8.080 17.599 7.106 1.00 0.00 O ATOM 977 OE2 GLU A 63 7.481 16.838 5.133 1.00 0.00 O ATOM 0 H GLU A 63 4.727 15.426 8.927 1.00 0.00 H new ATOM 0 HA GLU A 63 2.981 17.476 8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.917 18.067 6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.355 17.867 8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.383 15.750 7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.653 15.605 6.278 1.00 0.00 H new ATOM 984 N VAL A 64 3.310 14.868 6.118 1.00 0.00 N ATOM 985 CA VAL A 64 2.802 14.213 4.919 1.00 0.00 C ATOM 986 C VAL A 64 1.278 14.171 4.919 1.00 0.00 C ATOM 987 O VAL A 64 0.656 13.776 5.906 1.00 0.00 O ATOM 988 CB VAL A 64 3.343 12.776 4.792 1.00 0.00 C ATOM 989 CG1 VAL A 64 2.744 11.882 5.867 1.00 0.00 C ATOM 990 CG2 VAL A 64 3.058 12.221 3.405 1.00 0.00 C ATOM 0 H VAL A 64 3.862 14.264 6.727 1.00 0.00 H new ATOM 0 HA VAL A 64 3.147 14.800 4.068 1.00 0.00 H new ATOM 0 HB VAL A 64 4.423 12.799 4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.138 10.871 5.761 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.005 12.272 6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.659 11.862 5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.447 11.205 3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.982 12.211 3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.541 12.849 2.656 1.00 0.00 H new ATOM 1000 N THR A 65 0.680 14.581 3.804 1.00 0.00 N ATOM 1001 CA THR A 65 -0.772 14.592 3.675 1.00 0.00 C ATOM 1002 C THR A 65 -1.247 13.505 2.717 1.00 0.00 C ATOM 1003 O THR A 65 -0.456 12.946 1.957 1.00 0.00 O ATOM 1004 CB THR A 65 -1.282 15.957 3.178 1.00 0.00 C ATOM 1005 OG1 THR A 65 -2.712 15.999 3.240 1.00 0.00 O ATOM 1006 CG2 THR A 65 -0.824 16.219 1.751 1.00 0.00 C ATOM 0 H THR A 65 1.179 14.910 2.978 1.00 0.00 H new ATOM 0 HA THR A 65 -1.179 14.401 4.668 1.00 0.00 H new ATOM 0 HB THR A 65 -0.868 16.731 3.824 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.028 16.871 2.924 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.196 17.189 1.422 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.265 16.216 1.712 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.212 15.440 1.095 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.542 13.211 2.758 1.00 0.00 N ATOM 1015 CA ARG A 66 -3.122 12.191 1.894 1.00 0.00 C ATOM 1016 C ARG A 66 -2.612 12.337 0.463 1.00 0.00 C ATOM 1017 O ARG A 66 -2.156 11.368 -0.145 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.649 12.282 1.914 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.342 10.968 1.592 1.00 0.00 C ATOM 1020 CD ARG A 66 -5.554 10.129 2.843 1.00 0.00 C ATOM 1021 NE ARG A 66 -6.744 9.289 2.743 1.00 0.00 N ATOM 1022 CZ ARG A 66 -7.962 9.695 3.085 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -8.149 10.923 3.548 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -8.995 8.871 2.966 1.00 0.00 N ATOM 0 H ARG A 66 -3.210 13.665 3.381 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.818 11.215 2.273 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.971 12.621 2.898 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.969 13.037 1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.304 11.169 1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.745 10.407 0.873 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.679 9.500 3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.645 10.785 3.709 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.634 8.338 2.391 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.357 11.559 3.642 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.085 11.232 3.810 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.854 7.925 2.612 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.930 9.184 3.229 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.693 13.553 -0.067 1.00 0.00 N ATOM 1039 CA GLN A 67 -2.241 13.824 -1.427 1.00 0.00 C ATOM 1040 C GLN A 67 -0.892 13.164 -1.694 1.00 0.00 C ATOM 1041 O GLN A 67 -0.709 12.497 -2.713 1.00 0.00 O ATOM 1042 CB GLN A 67 -2.138 15.332 -1.661 1.00 0.00 C ATOM 1043 CG GLN A 67 -3.483 16.006 -1.883 1.00 0.00 C ATOM 1044 CD GLN A 67 -4.283 16.147 -0.603 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -5.069 15.268 -0.249 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -4.087 17.257 0.099 1.00 0.00 N ATOM 0 H GLN A 67 -3.067 14.365 0.424 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.973 13.405 -2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.648 15.792 -0.803 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.502 15.514 -2.527 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.323 16.993 -2.318 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.060 15.429 -2.606 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.426 17.960 -0.232 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.598 17.407 0.969 1.00 0.00 H new ATOM 1055 N GLN A 68 0.047 13.353 -0.773 1.00 0.00 N ATOM 1056 CA GLN A 68 1.379 12.776 -0.911 1.00 0.00 C ATOM 1057 C GLN A 68 1.303 11.259 -1.048 1.00 0.00 C ATOM 1058 O GLN A 68 2.019 10.660 -1.851 1.00 0.00 O ATOM 1059 CB GLN A 68 2.247 13.149 0.292 1.00 0.00 C ATOM 1060 CG GLN A 68 2.504 14.642 0.417 1.00 0.00 C ATOM 1061 CD GLN A 68 3.692 15.100 -0.406 1.00 0.00 C ATOM 1062 OE1 GLN A 68 3.540 15.544 -1.544 1.00 0.00 O ATOM 1063 NE2 GLN A 68 4.885 14.995 0.167 1.00 0.00 N ATOM 0 H GLN A 68 -0.090 13.901 0.076 1.00 0.00 H new ATOM 0 HA GLN A 68 1.832 13.182 -1.816 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.763 12.795 1.202 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.202 12.629 0.215 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.615 15.188 0.100 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.675 14.891 1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.965 14.621 1.113 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.721 15.288 -0.338 1.00 0.00 H new ATOM 1072 N THR A 69 0.431 10.641 -0.257 1.00 0.00 N ATOM 1073 CA THR A 69 0.263 9.194 -0.288 1.00 0.00 C ATOM 1074 C THR A 69 -0.040 8.706 -1.700 1.00 0.00 C ATOM 1075 O THR A 69 0.636 7.817 -2.218 1.00 0.00 O ATOM 1076 CB THR A 69 -0.868 8.739 0.654 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.622 9.218 1.981 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.983 7.223 0.669 1.00 0.00 C ATOM 0 H THR A 69 -0.170 11.121 0.413 1.00 0.00 H new ATOM 0 HA THR A 69 1.204 8.759 0.050 1.00 0.00 H new ATOM 0 HB THR A 69 -1.806 9.154 0.287 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.952 10.137 2.064 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.788 6.926 1.341 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.199 6.865 -0.337 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.044 6.790 1.014 1.00 0.00 H new ATOM 1086 N ILE A 70 -1.059 9.293 -2.318 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.450 8.918 -3.671 1.00 0.00 C ATOM 1088 C ILE A 70 -0.287 9.081 -4.644 1.00 0.00 C ATOM 1089 O ILE A 70 -0.052 8.223 -5.494 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.641 9.760 -4.167 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.850 9.562 -3.251 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -2.989 9.391 -5.601 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -4.821 10.721 -3.273 1.00 0.00 C ATOM 0 H ILE A 70 -1.629 10.030 -1.903 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.747 7.870 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.359 10.813 -4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.375 8.653 -3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.501 9.410 -2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.832 9.994 -5.937 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.129 9.579 -6.244 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.255 8.335 -5.651 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.653 10.511 -2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.312 11.628 -2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.199 10.860 -4.286 1.00 0.00 H new ATOM 1105 N GLN A 71 0.438 10.187 -4.511 1.00 0.00 N ATOM 1106 CA GLN A 71 1.578 10.462 -5.378 1.00 0.00 C ATOM 1107 C GLN A 71 2.639 9.375 -5.243 1.00 0.00 C ATOM 1108 O GLN A 71 3.140 8.853 -6.240 1.00 0.00 O ATOM 1109 CB GLN A 71 2.183 11.826 -5.044 1.00 0.00 C ATOM 1110 CG GLN A 71 1.528 12.980 -5.787 1.00 0.00 C ATOM 1111 CD GLN A 71 2.137 13.214 -7.155 1.00 0.00 C ATOM 1112 OE1 GLN A 71 1.991 12.394 -8.061 1.00 0.00 O ATOM 1113 NE2 GLN A 71 2.826 14.339 -7.312 1.00 0.00 N ATOM 0 H GLN A 71 0.256 10.907 -3.812 1.00 0.00 H new ATOM 0 HA GLN A 71 1.224 10.473 -6.409 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.097 12.000 -3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.247 11.810 -5.280 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.463 12.778 -5.898 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.620 13.889 -5.192 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.922 14.991 -6.534 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.259 14.551 -8.211 1.00 0.00 H new ATOM 1122 N LEU A 72 2.978 9.038 -4.003 1.00 0.00 N ATOM 1123 CA LEU A 72 3.981 8.012 -3.736 1.00 0.00 C ATOM 1124 C LEU A 72 3.512 6.649 -4.235 1.00 0.00 C ATOM 1125 O LEU A 72 4.252 5.936 -4.914 1.00 0.00 O ATOM 1126 CB LEU A 72 4.283 7.944 -2.238 1.00 0.00 C ATOM 1127 CG LEU A 72 5.157 6.775 -1.782 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.535 6.858 -2.421 1.00 0.00 C ATOM 1129 CD2 LEU A 72 5.271 6.755 -0.265 1.00 0.00 C ATOM 0 H LEU A 72 2.573 9.460 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 72 4.891 8.280 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.771 8.873 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.337 7.896 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 72 4.685 5.846 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.143 6.018 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.436 6.823 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.015 7.793 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.896 5.917 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.720 7.687 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.279 6.647 0.173 1.00 0.00 H new ATOM 1141 N LEU A 73 2.278 6.293 -3.895 1.00 0.00 N ATOM 1142 CA LEU A 73 1.709 5.016 -4.310 1.00 0.00 C ATOM 1143 C LEU A 73 2.016 4.734 -5.777 1.00 0.00 C ATOM 1144 O LEU A 73 2.370 3.613 -6.142 1.00 0.00 O ATOM 1145 CB LEU A 73 0.196 5.012 -4.084 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.452 3.640 -3.901 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.303 3.166 -2.464 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -1.920 3.686 -4.299 1.00 0.00 C ATOM 0 H LEU A 73 1.653 6.871 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 73 2.163 4.231 -3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.021 5.614 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.279 5.506 -4.932 1.00 0.00 H new ATOM 0 HG LEU A 73 0.058 2.929 -4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.771 2.188 -2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.755 3.093 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.787 3.877 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.365 2.700 -4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.444 4.410 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.004 3.980 -5.345 1.00 0.00 H new ATOM 1160 N ARG A 74 1.880 5.758 -6.612 1.00 0.00 N ATOM 1161 CA ARG A 74 2.144 5.620 -8.039 1.00 0.00 C ATOM 1162 C ARG A 74 3.457 4.880 -8.280 1.00 0.00 C ATOM 1163 O ARG A 74 3.570 4.081 -9.210 1.00 0.00 O ATOM 1164 CB ARG A 74 2.193 6.996 -8.706 1.00 0.00 C ATOM 1165 CG ARG A 74 0.877 7.754 -8.635 1.00 0.00 C ATOM 1166 CD ARG A 74 1.042 9.200 -9.076 1.00 0.00 C ATOM 1167 NE ARG A 74 -0.228 9.797 -9.481 1.00 0.00 N ATOM 1168 CZ ARG A 74 -0.322 10.846 -10.290 1.00 0.00 C ATOM 1169 NH1 ARG A 74 0.774 11.411 -10.778 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -1.514 11.332 -10.612 1.00 0.00 N ATOM 0 H ARG A 74 1.589 6.692 -6.325 1.00 0.00 H new ATOM 0 HA ARG A 74 1.333 5.039 -8.478 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.972 7.593 -8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.476 6.874 -9.751 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.138 7.262 -9.267 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.494 7.725 -7.615 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.472 9.781 -8.260 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.746 9.248 -9.907 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.090 9.386 -9.123 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.692 11.040 -10.532 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.699 12.217 -11.399 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.359 10.900 -10.238 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.585 12.138 -11.233 1.00 0.00 H new ATOM 1184 N LYS A 75 4.447 5.153 -7.437 1.00 0.00 N ATOM 1185 CA LYS A 75 5.752 4.513 -7.557 1.00 0.00 C ATOM 1186 C LYS A 75 5.661 3.025 -7.234 1.00 0.00 C ATOM 1187 O LYS A 75 6.265 2.195 -7.912 1.00 0.00 O ATOM 1188 CB LYS A 75 6.760 5.187 -6.623 1.00 0.00 C ATOM 1189 CG LYS A 75 7.403 6.429 -7.217 1.00 0.00 C ATOM 1190 CD LYS A 75 6.574 7.672 -6.941 1.00 0.00 C ATOM 1191 CE LYS A 75 7.361 8.942 -7.225 1.00 0.00 C ATOM 1192 NZ LYS A 75 7.460 9.219 -8.685 1.00 0.00 N ATOM 0 H LYS A 75 4.371 5.813 -6.663 1.00 0.00 H new ATOM 0 HA LYS A 75 6.089 4.623 -8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.258 5.457 -5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.541 4.471 -6.367 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.402 6.557 -6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.520 6.300 -8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.675 7.655 -7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.248 7.670 -5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.882 9.785 -6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.362 8.850 -6.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.004 10.093 -8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.940 8.426 -9.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.506 9.332 -9.082 1.00 0.00 H new ATOM 1206 N PHE A 76 4.900 2.696 -6.195 1.00 0.00 N ATOM 1207 CA PHE A 76 4.729 1.307 -5.783 1.00 0.00 C ATOM 1208 C PHE A 76 4.303 0.438 -6.963 1.00 0.00 C ATOM 1209 O PHE A 76 4.943 -0.569 -7.270 1.00 0.00 O ATOM 1210 CB PHE A 76 3.691 1.210 -4.663 1.00 0.00 C ATOM 1211 CG PHE A 76 4.237 1.559 -3.308 1.00 0.00 C ATOM 1212 CD1 PHE A 76 5.045 2.672 -3.138 1.00 0.00 C ATOM 1213 CD2 PHE A 76 3.944 0.774 -2.205 1.00 0.00 C ATOM 1214 CE1 PHE A 76 5.549 2.997 -1.893 1.00 0.00 C ATOM 1215 CE2 PHE A 76 4.444 1.095 -0.957 1.00 0.00 C ATOM 1216 CZ PHE A 76 5.249 2.207 -0.801 1.00 0.00 C ATOM 0 H PHE A 76 4.392 3.371 -5.623 1.00 0.00 H new ATOM 0 HA PHE A 76 5.688 0.943 -5.414 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.858 1.874 -4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.292 0.196 -4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.284 3.293 -3.989 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.318 -0.098 -2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.177 3.868 -1.774 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.206 0.477 -0.104 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.643 2.458 0.173 1.00 0.00 H new ATOM 1226 N LEU A 77 3.219 0.834 -7.621 1.00 0.00 N ATOM 1227 CA LEU A 77 2.706 0.092 -8.767 1.00 0.00 C ATOM 1228 C LEU A 77 3.753 0.005 -9.873 1.00 0.00 C ATOM 1229 O LEU A 77 3.883 -1.020 -10.541 1.00 0.00 O ATOM 1230 CB LEU A 77 1.436 0.756 -9.303 1.00 0.00 C ATOM 1231 CG LEU A 77 0.925 0.240 -10.649 1.00 0.00 C ATOM 1232 CD1 LEU A 77 0.286 -1.130 -10.487 1.00 0.00 C ATOM 1233 CD2 LEU A 77 -0.063 1.225 -11.256 1.00 0.00 C ATOM 0 H LEU A 77 2.678 1.665 -7.380 1.00 0.00 H new ATOM 0 HA LEU A 77 2.468 -0.919 -8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.645 0.630 -8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.620 1.827 -9.393 1.00 0.00 H new ATOM 0 HG LEU A 77 1.773 0.143 -11.327 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.072 -1.481 -11.455 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.023 -1.831 -10.096 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.552 -1.061 -9.794 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.417 0.842 -12.213 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.910 1.354 -10.582 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.428 2.186 -11.409 1.00 0.00 H new ATOM 1245 N LYS A 78 4.500 1.088 -10.059 1.00 0.00 N ATOM 1246 CA LYS A 78 5.540 1.135 -11.081 1.00 0.00 C ATOM 1247 C LYS A 78 6.674 0.172 -10.747 1.00 0.00 C ATOM 1248 O LYS A 78 7.213 -0.496 -11.629 1.00 0.00 O ATOM 1249 CB LYS A 78 6.087 2.558 -11.216 1.00 0.00 C ATOM 1250 CG LYS A 78 7.303 2.658 -12.120 1.00 0.00 C ATOM 1251 CD LYS A 78 7.549 4.090 -12.568 1.00 0.00 C ATOM 1252 CE LYS A 78 8.232 4.904 -11.480 1.00 0.00 C ATOM 1253 NZ LYS A 78 8.563 6.280 -11.943 1.00 0.00 N ATOM 0 H LYS A 78 4.405 1.946 -9.515 1.00 0.00 H new ATOM 0 HA LYS A 78 5.097 0.832 -12.030 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.301 3.205 -11.605 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.348 2.933 -10.227 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.181 2.285 -11.593 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.161 2.022 -12.994 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.166 4.090 -13.466 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.601 4.558 -12.833 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.582 4.961 -10.607 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.144 4.397 -11.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.027 6.803 -11.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.204 6.226 -12.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.690 6.773 -12.219 1.00 0.00 H new ATOM 1267 N ASN A 79 7.031 0.105 -9.468 1.00 0.00 N ATOM 1268 CA ASN A 79 8.101 -0.778 -9.019 1.00 0.00 C ATOM 1269 C ASN A 79 7.616 -2.222 -8.933 1.00 0.00 C ATOM 1270 O ASN A 79 8.323 -3.098 -8.435 1.00 0.00 O ATOM 1271 CB ASN A 79 8.626 -0.323 -7.655 1.00 0.00 C ATOM 1272 CG ASN A 79 9.492 0.918 -7.754 1.00 0.00 C ATOM 1273 OD1 ASN A 79 10.655 0.910 -7.351 1.00 0.00 O ATOM 1274 ND2 ASN A 79 8.927 1.992 -8.292 1.00 0.00 N ATOM 0 H ASN A 79 6.595 0.651 -8.725 1.00 0.00 H new ATOM 0 HA ASN A 79 8.909 -0.728 -9.748 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.784 -0.123 -6.993 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.203 -1.130 -7.203 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.460 2.856 -8.385 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.959 1.953 -8.613 1.00 0.00 H new ATOM 1281 N HIS A 80 6.404 -2.463 -9.425 1.00 0.00 N ATOM 1282 CA HIS A 80 5.824 -3.801 -9.405 1.00 0.00 C ATOM 1283 C HIS A 80 5.546 -4.252 -7.975 1.00 0.00 C ATOM 1284 O HIS A 80 5.626 -5.440 -7.661 1.00 0.00 O ATOM 1285 CB HIS A 80 6.759 -4.796 -10.094 1.00 0.00 C ATOM 1286 CG HIS A 80 6.046 -5.949 -10.728 1.00 0.00 C ATOM 1287 ND1 HIS A 80 6.600 -6.719 -11.728 1.00 0.00 N ATOM 1288 CD2 HIS A 80 4.815 -6.463 -10.498 1.00 0.00 C ATOM 1289 CE1 HIS A 80 5.741 -7.656 -12.087 1.00 0.00 C ATOM 1290 NE2 HIS A 80 4.649 -7.523 -11.356 1.00 0.00 N ATOM 0 H HIS A 80 5.806 -1.750 -9.842 1.00 0.00 H new ATOM 0 HA HIS A 80 4.879 -3.768 -9.946 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.335 -4.272 -10.857 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.472 -5.178 -9.363 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.097 -6.106 -9.775 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.904 -8.404 -12.849 1.00 0.00 H new ATOM 0 HE2 HIS A 80 3.818 -8.111 -11.418 1.00 0.00 H new ATOM 1298 N VAL A 81 5.221 -3.296 -7.110 1.00 0.00 N ATOM 1299 CA VAL A 81 4.931 -3.595 -5.713 1.00 0.00 C ATOM 1300 C VAL A 81 3.510 -4.122 -5.547 1.00 0.00 C ATOM 1301 O VAL A 81 3.251 -4.984 -4.706 1.00 0.00 O ATOM 1302 CB VAL A 81 5.112 -2.351 -4.824 1.00 0.00 C ATOM 1303 CG1 VAL A 81 4.831 -2.690 -3.368 1.00 0.00 C ATOM 1304 CG2 VAL A 81 6.513 -1.781 -4.986 1.00 0.00 C ATOM 0 H VAL A 81 5.152 -2.308 -7.353 1.00 0.00 H new ATOM 0 HA VAL A 81 5.639 -4.363 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 81 4.396 -1.592 -5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.964 -1.799 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.807 -3.049 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.521 -3.466 -3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.624 -0.902 -4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.247 -2.533 -4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.673 -1.499 -6.027 1.00 0.00 H new ATOM 1314 N ILE A 82 2.593 -3.599 -6.354 1.00 0.00 N ATOM 1315 CA ILE A 82 1.198 -4.018 -6.297 1.00 0.00 C ATOM 1316 C ILE A 82 0.593 -4.104 -7.694 1.00 0.00 C ATOM 1317 O ILE A 82 0.609 -3.132 -8.449 1.00 0.00 O ATOM 1318 CB ILE A 82 0.354 -3.053 -5.443 1.00 0.00 C ATOM 1319 CG1 ILE A 82 0.582 -1.608 -5.891 1.00 0.00 C ATOM 1320 CG2 ILE A 82 0.694 -3.216 -3.969 1.00 0.00 C ATOM 1321 CD1 ILE A 82 -0.278 -0.605 -5.156 1.00 0.00 C ATOM 0 H ILE A 82 2.791 -2.885 -7.055 1.00 0.00 H new ATOM 0 HA ILE A 82 1.184 -5.005 -5.835 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.700 -3.294 -5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.631 -1.352 -5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.382 -1.532 -6.960 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.090 -2.528 -3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.486 -4.240 -3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.750 -2.997 -3.813 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.063 0.398 -5.525 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.330 -0.836 -5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.062 -0.653 -4.089 1.00 0.00 H new ATOM 1333 N GLU A 83 0.058 -5.274 -8.030 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.554 -5.485 -9.337 1.00 0.00 C ATOM 1335 C GLU A 83 -2.075 -5.385 -9.249 1.00 0.00 C ATOM 1336 O GLU A 83 -2.679 -5.803 -8.261 1.00 0.00 O ATOM 1337 CB GLU A 83 -0.154 -6.852 -9.897 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.199 -7.463 -10.815 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.636 -8.569 -11.686 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.508 -8.421 -12.166 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -1.337 -9.583 -11.886 1.00 0.00 O ATOM 0 H GLU A 83 0.036 -6.089 -7.417 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.194 -4.705 -10.008 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.783 -6.751 -10.444 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.033 -7.534 -9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.017 -7.860 -10.214 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.619 -6.683 -11.451 1.00 0.00 H new ATOM 1348 N ASP A 84 -2.686 -4.827 -10.288 1.00 0.00 N ATOM 1349 CA ASP A 84 -4.135 -4.671 -10.329 1.00 0.00 C ATOM 1350 C ASP A 84 -4.830 -6.026 -10.236 1.00 0.00 C ATOM 1351 O ASP A 84 -4.187 -7.072 -10.329 1.00 0.00 O ATOM 1352 CB ASP A 84 -4.556 -3.955 -11.613 1.00 0.00 C ATOM 1353 CG ASP A 84 -3.772 -2.679 -11.848 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -2.613 -2.601 -11.388 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -4.316 -1.759 -12.493 1.00 0.00 O ATOM 0 H ASP A 84 -2.200 -4.475 -11.113 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.436 -4.069 -9.471 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.417 -4.625 -12.461 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.619 -3.721 -11.563 1.00 0.00 H new ATOM 1360 N ILE A 85 -6.146 -5.998 -10.050 1.00 0.00 N ATOM 1361 CA ILE A 85 -6.927 -7.224 -9.945 1.00 0.00 C ATOM 1362 C ILE A 85 -6.847 -8.040 -11.231 1.00 0.00 C ATOM 1363 O ILE A 85 -6.726 -9.265 -11.196 1.00 0.00 O ATOM 1364 CB ILE A 85 -8.405 -6.925 -9.631 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -9.191 -8.228 -9.476 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -9.013 -6.060 -10.725 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -10.336 -8.130 -8.494 1.00 0.00 C ATOM 0 H ILE A 85 -6.693 -5.141 -9.969 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.499 -7.801 -9.125 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.458 -6.378 -8.690 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.582 -8.525 -10.449 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.512 -9.016 -9.152 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.058 -5.857 -10.490 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.466 -5.119 -10.791 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.951 -6.583 -11.679 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.848 -9.090 -8.435 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.950 -7.864 -7.510 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.037 -7.365 -8.828 1.00 0.00 H new ATOM 1379 N LYS A 86 -6.913 -7.352 -12.366 1.00 0.00 N ATOM 1380 CA LYS A 86 -6.845 -8.011 -13.665 1.00 0.00 C ATOM 1381 C LYS A 86 -5.433 -8.512 -13.947 1.00 0.00 C ATOM 1382 O LYS A 86 -5.238 -9.663 -14.335 1.00 0.00 O ATOM 1383 CB LYS A 86 -7.288 -7.050 -14.770 1.00 0.00 C ATOM 1384 CG LYS A 86 -8.791 -6.838 -14.826 1.00 0.00 C ATOM 1385 CD LYS A 86 -9.464 -7.855 -15.733 1.00 0.00 C ATOM 1386 CE LYS A 86 -10.941 -7.544 -15.918 1.00 0.00 C ATOM 1387 NZ LYS A 86 -11.152 -6.264 -16.649 1.00 0.00 N ATOM 0 H LYS A 86 -7.014 -6.338 -12.412 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.518 -8.868 -13.646 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.799 -6.087 -14.620 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.948 -7.434 -15.732 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.208 -6.913 -13.822 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.004 -5.831 -15.185 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.968 -7.863 -16.704 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.351 -8.853 -15.309 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.417 -8.357 -16.465 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.425 -7.489 -14.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.137 -6.210 -16.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.954 -5.465 -16.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.512 -6.222 -17.468 1.00 0.00 H new ATOM 1401 N GLY A 87 -4.449 -7.640 -13.749 1.00 0.00 N ATOM 1402 CA GLY A 87 -3.067 -8.013 -13.987 1.00 0.00 C ATOM 1403 C GLY A 87 -2.303 -6.952 -14.754 1.00 0.00 C ATOM 1404 O GLY A 87 -1.456 -7.270 -15.589 1.00 0.00 O ATOM 0 H GLY A 87 -4.585 -6.681 -13.428 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.573 -8.193 -13.032 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.038 -8.950 -14.543 1.00 0.00 H new ATOM 1408 N ARG A 88 -2.604 -5.689 -14.472 1.00 0.00 N ATOM 1409 CA ARG A 88 -1.941 -4.578 -15.145 1.00 0.00 C ATOM 1410 C ARG A 88 -0.899 -3.935 -14.234 1.00 0.00 C ATOM 1411 O ARG A 88 -1.238 -3.339 -13.211 1.00 0.00 O ATOM 1412 CB ARG A 88 -2.969 -3.532 -15.581 1.00 0.00 C ATOM 1413 CG ARG A 88 -3.764 -3.935 -16.812 1.00 0.00 C ATOM 1414 CD ARG A 88 -2.882 -3.994 -18.049 1.00 0.00 C ATOM 1415 NE ARG A 88 -3.655 -3.851 -19.280 1.00 0.00 N ATOM 1416 CZ ARG A 88 -3.235 -4.276 -20.466 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -2.054 -4.869 -20.581 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -3.996 -4.110 -21.540 1.00 0.00 N ATOM 0 H ARG A 88 -3.302 -5.409 -13.783 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.435 -4.969 -16.027 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.659 -3.348 -14.758 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.455 -2.592 -15.782 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.226 -4.908 -16.646 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.573 -3.222 -16.974 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.133 -3.204 -17.998 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.345 -4.942 -18.066 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.568 -3.400 -19.226 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.466 -4.999 -19.757 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.733 -5.195 -21.493 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.905 -3.655 -21.456 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.672 -4.437 -22.450 1.00 0.00 H new ATOM 1432 N TRP A 89 0.367 -4.059 -14.613 1.00 0.00 N ATOM 1433 CA TRP A 89 1.459 -3.490 -13.830 1.00 0.00 C ATOM 1434 C TRP A 89 2.385 -2.659 -14.711 1.00 0.00 C ATOM 1435 O TRP A 89 2.544 -2.939 -15.898 1.00 0.00 O ATOM 1436 CB TRP A 89 2.252 -4.601 -13.140 1.00 0.00 C ATOM 1437 CG TRP A 89 3.150 -5.357 -14.072 1.00 0.00 C ATOM 1438 CD1 TRP A 89 2.893 -6.563 -14.660 1.00 0.00 C ATOM 1439 CD2 TRP A 89 4.449 -4.957 -14.522 1.00 0.00 C ATOM 1440 NE1 TRP A 89 3.955 -6.937 -15.448 1.00 0.00 N ATOM 1441 CE2 TRP A 89 4.922 -5.969 -15.381 1.00 0.00 C ATOM 1442 CE3 TRP A 89 5.258 -3.843 -14.285 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 6.167 -5.897 -16.001 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 6.493 -3.773 -14.900 1.00 0.00 C ATOM 1445 CH2 TRP A 89 6.938 -4.795 -15.750 1.00 0.00 C ATOM 0 H TRP A 89 0.664 -4.548 -15.457 1.00 0.00 H new ATOM 0 HA TRP A 89 1.027 -2.837 -13.072 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.853 -4.166 -12.341 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.556 -5.298 -12.673 1.00 0.00 H new ATOM 0 HD1 TRP A 89 1.989 -7.138 -14.525 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.014 -7.796 -15.994 1.00 0.00 H new ATOM 0 HE3 TRP A 89 4.924 -3.050 -13.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 6.512 -6.683 -16.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.126 -2.916 -14.723 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.909 -4.711 -16.216 1.00 0.00 H new ATOM 1456 N GLY A 90 2.995 -1.635 -14.121 1.00 0.00 N ATOM 1457 CA GLY A 90 3.898 -0.780 -14.868 1.00 0.00 C ATOM 1458 C GLY A 90 3.270 0.552 -15.227 1.00 0.00 C ATOM 1459 O GLY A 90 3.292 0.964 -16.387 1.00 0.00 O ATOM 0 H GLY A 90 2.880 -1.383 -13.139 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.799 -0.607 -14.280 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.206 -1.291 -15.780 1.00 0.00 H new ATOM 1463 N SER A 91 2.707 1.228 -14.230 1.00 0.00 N ATOM 1464 CA SER A 91 2.065 2.519 -14.448 1.00 0.00 C ATOM 1465 C SER A 91 2.189 3.403 -13.210 1.00 0.00 C ATOM 1466 O SER A 91 2.384 2.910 -12.100 1.00 0.00 O ATOM 1467 CB SER A 91 0.590 2.325 -14.804 1.00 0.00 C ATOM 1468 OG SER A 91 0.442 1.434 -15.896 1.00 0.00 O ATOM 0 H SER A 91 2.683 0.903 -13.264 1.00 0.00 H new ATOM 0 HA SER A 91 2.570 3.013 -15.278 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.052 1.938 -13.939 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.143 3.288 -15.053 1.00 0.00 H new ATOM 0 HG SER A 91 -0.510 1.326 -16.103 1.00 0.00 H new ATOM 1474 N GLU A 92 2.075 4.712 -13.412 1.00 0.00 N ATOM 1475 CA GLU A 92 2.176 5.665 -12.314 1.00 0.00 C ATOM 1476 C GLU A 92 0.832 6.340 -12.054 1.00 0.00 C ATOM 1477 O GLU A 92 0.763 7.377 -11.396 1.00 0.00 O ATOM 1478 CB GLU A 92 3.239 6.722 -12.622 1.00 0.00 C ATOM 1479 CG GLU A 92 2.852 7.663 -13.750 1.00 0.00 C ATOM 1480 CD GLU A 92 4.051 8.353 -14.371 1.00 0.00 C ATOM 1481 OE1 GLU A 92 4.779 7.696 -15.145 1.00 0.00 O ATOM 1482 OE2 GLU A 92 4.261 9.550 -14.083 1.00 0.00 O ATOM 0 H GLU A 92 1.913 5.136 -14.325 1.00 0.00 H new ATOM 0 HA GLU A 92 2.468 5.118 -11.418 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.430 7.306 -11.722 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.172 6.222 -12.881 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.321 7.103 -14.520 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.161 8.415 -13.370 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.234 5.742 -12.576 1.00 0.00 N ATOM 1490 CA ASN A 93 -1.576 6.285 -12.403 1.00 0.00 C ATOM 1491 C ASN A 93 -2.408 5.397 -11.483 1.00 0.00 C ATOM 1492 O ASN A 93 -2.823 4.303 -11.867 1.00 0.00 O ATOM 1493 CB ASN A 93 -2.271 6.427 -13.758 1.00 0.00 C ATOM 1494 CG ASN A 93 -3.404 7.435 -13.725 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -4.503 7.135 -13.258 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -3.140 8.637 -14.223 1.00 0.00 N ATOM 0 H ASN A 93 -0.194 4.881 -13.122 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.485 7.270 -11.944 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.540 6.730 -14.508 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.660 5.457 -14.067 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.863 9.357 -14.229 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.214 8.841 -14.600 1.00 0.00 H new ATOM 1503 N VAL A 94 -2.648 5.875 -10.266 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.432 5.125 -9.291 1.00 0.00 C ATOM 1505 C VAL A 94 -4.365 6.045 -8.512 1.00 0.00 C ATOM 1506 O VAL A 94 -3.919 6.969 -7.832 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.523 4.375 -8.299 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -1.867 3.180 -8.974 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.475 5.314 -7.721 1.00 0.00 C ATOM 0 H VAL A 94 -2.311 6.778 -9.932 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.024 4.400 -9.850 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.138 4.006 -7.478 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.229 2.663 -8.258 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.637 2.497 -9.333 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.265 3.523 -9.815 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.842 4.767 -7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.862 5.716 -8.528 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.969 6.133 -7.198 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.664 5.786 -8.616 1.00 0.00 N ATOM 1520 CA ASP A 95 -6.663 6.589 -7.920 1.00 0.00 C ATOM 1521 C ASP A 95 -6.934 6.031 -6.527 1.00 0.00 C ATOM 1522 O ASP A 95 -6.647 4.867 -6.247 1.00 0.00 O ATOM 1523 CB ASP A 95 -7.962 6.637 -8.726 1.00 0.00 C ATOM 1524 CG ASP A 95 -7.770 7.255 -10.097 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -7.142 6.604 -10.959 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -8.249 8.388 -10.309 1.00 0.00 O ATOM 0 H ASP A 95 -6.050 5.026 -9.176 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.272 7.601 -7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.354 5.626 -8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.708 7.209 -8.174 1.00 0.00 H new ATOM 1531 N ASP A 96 -7.487 6.869 -5.657 1.00 0.00 N ATOM 1532 CA ASP A 96 -7.797 6.460 -4.292 1.00 0.00 C ATOM 1533 C ASP A 96 -9.305 6.444 -4.059 1.00 0.00 C ATOM 1534 O ASP A 96 -9.766 6.414 -2.920 1.00 0.00 O ATOM 1535 CB ASP A 96 -7.124 7.399 -3.290 1.00 0.00 C ATOM 1536 CG ASP A 96 -7.471 8.854 -3.537 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -7.367 9.300 -4.699 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -7.848 9.546 -2.568 1.00 0.00 O ATOM 0 H ASP A 96 -7.730 7.836 -5.873 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.414 5.450 -4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.425 7.123 -2.279 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.043 7.272 -3.347 1.00 0.00 H new ATOM 1543 N ASN A 97 -10.067 6.464 -5.148 1.00 0.00 N ATOM 1544 CA ASN A 97 -11.523 6.453 -5.062 1.00 0.00 C ATOM 1545 C ASN A 97 -12.052 5.025 -4.968 1.00 0.00 C ATOM 1546 O ASN A 97 -12.583 4.616 -3.937 1.00 0.00 O ATOM 1547 CB ASN A 97 -12.131 7.155 -6.278 1.00 0.00 C ATOM 1548 CG ASN A 97 -11.299 8.335 -6.741 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -10.696 8.207 -7.918 1.00 0.00 O flip ATOM 1550 ND2 ASN A 97 -11.199 9.349 -6.050 1.00 0.00 N flip ATOM 0 H ASN A 97 -9.701 6.488 -6.100 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.813 6.989 -4.158 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.229 6.440 -7.095 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.136 7.497 -6.031 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.680 9.404 -5.152 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.635 10.134 -6.375 1.00 0.00 H new ATOM 1557 N ASN A 98 -11.901 4.272 -6.052 1.00 0.00 N ATOM 1558 CA ASN A 98 -12.363 2.889 -6.092 1.00 0.00 C ATOM 1559 C ASN A 98 -11.593 2.088 -7.138 1.00 0.00 C ATOM 1560 O ASN A 98 -11.785 2.273 -8.340 1.00 0.00 O ATOM 1561 CB ASN A 98 -13.862 2.839 -6.397 1.00 0.00 C ATOM 1562 CG ASN A 98 -14.276 3.867 -7.432 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -14.749 4.951 -7.091 1.00 0.00 O ATOM 1564 ND2 ASN A 98 -14.100 3.530 -8.704 1.00 0.00 N ATOM 0 H ASN A 98 -11.463 4.596 -6.914 1.00 0.00 H new ATOM 0 HA ASN A 98 -12.183 2.443 -5.114 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.124 1.843 -6.753 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.423 3.007 -5.478 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -14.361 4.181 -9.445 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -13.704 2.620 -8.940 1.00 0.00 H new ATOM 1571 N GLN A 99 -10.723 1.199 -6.671 1.00 0.00 N ATOM 1572 CA GLN A 99 -9.924 0.370 -7.567 1.00 0.00 C ATOM 1573 C GLN A 99 -9.438 -0.889 -6.855 1.00 0.00 C ATOM 1574 O GLN A 99 -8.736 -0.812 -5.846 1.00 0.00 O ATOM 1575 CB GLN A 99 -8.729 1.162 -8.099 1.00 0.00 C ATOM 1576 CG GLN A 99 -9.111 2.238 -9.103 1.00 0.00 C ATOM 1577 CD GLN A 99 -7.991 2.554 -10.074 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -7.544 3.697 -10.175 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -7.530 1.539 -10.797 1.00 0.00 N ATOM 0 H GLN A 99 -10.553 1.034 -5.679 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.555 0.072 -8.404 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.209 1.627 -7.261 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.026 0.473 -8.567 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -9.990 1.914 -9.661 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.390 3.146 -8.568 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -7.929 0.608 -10.681 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.777 1.691 -11.468 1.00 0.00 H new ATOM 1588 N LEU A 100 -9.817 -2.046 -7.386 1.00 0.00 N ATOM 1589 CA LEU A 100 -9.420 -3.322 -6.801 1.00 0.00 C ATOM 1590 C LEU A 100 -7.999 -3.691 -7.212 1.00 0.00 C ATOM 1591 O LEU A 100 -7.667 -3.701 -8.398 1.00 0.00 O ATOM 1592 CB LEU A 100 -10.390 -4.425 -7.229 1.00 0.00 C ATOM 1593 CG LEU A 100 -11.726 -4.469 -6.487 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -12.710 -5.374 -7.213 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -11.525 -4.938 -5.054 1.00 0.00 C ATOM 0 H LEU A 100 -10.398 -2.127 -8.220 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.450 -3.221 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.592 -4.310 -8.294 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.894 -5.387 -7.101 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.140 -3.461 -6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.655 -5.393 -6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.878 -4.995 -8.221 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.303 -6.384 -7.268 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.486 -4.963 -4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.089 -5.937 -5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.856 -4.251 -4.537 1.00 0.00 H new ATOM 1607 N PHE A 101 -7.163 -3.997 -6.225 1.00 0.00 N ATOM 1608 CA PHE A 101 -5.777 -4.369 -6.485 1.00 0.00 C ATOM 1609 C PHE A 101 -5.477 -5.763 -5.941 1.00 0.00 C ATOM 1610 O PHE A 101 -6.328 -6.392 -5.313 1.00 0.00 O ATOM 1611 CB PHE A 101 -4.827 -3.348 -5.856 1.00 0.00 C ATOM 1612 CG PHE A 101 -4.654 -2.103 -6.679 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -3.878 -2.119 -7.827 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -5.266 -0.918 -6.305 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -3.717 -0.975 -8.586 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -5.109 0.229 -7.060 1.00 0.00 C ATOM 1617 CZ PHE A 101 -4.334 0.200 -8.202 1.00 0.00 C ATOM 0 H PHE A 101 -7.421 -3.995 -5.238 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.625 -4.379 -7.564 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.203 -3.073 -4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.853 -3.814 -5.707 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.394 -3.035 -8.132 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.873 -0.890 -5.412 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.109 -1.000 -9.479 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.592 1.146 -6.757 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.210 1.095 -8.794 1.00 0.00 H new ATOM 1627 N ARG A 102 -4.260 -6.238 -6.187 1.00 0.00 N ATOM 1628 CA ARG A 102 -3.847 -7.557 -5.724 1.00 0.00 C ATOM 1629 C ARG A 102 -2.328 -7.692 -5.752 1.00 0.00 C ATOM 1630 O ARG A 102 -1.637 -6.913 -6.409 1.00 0.00 O ATOM 1631 CB ARG A 102 -4.482 -8.647 -6.590 1.00 0.00 C ATOM 1632 CG ARG A 102 -3.692 -8.961 -7.850 1.00 0.00 C ATOM 1633 CD ARG A 102 -4.526 -9.750 -8.848 1.00 0.00 C ATOM 1634 NE ARG A 102 -3.709 -10.663 -9.642 1.00 0.00 N ATOM 1635 CZ ARG A 102 -3.212 -11.802 -9.173 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -3.448 -12.166 -7.920 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -2.477 -12.580 -9.957 1.00 0.00 N ATOM 0 H ARG A 102 -3.543 -5.729 -6.704 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.186 -7.676 -4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.583 -9.557 -5.998 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.488 -8.336 -6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.354 -8.032 -8.310 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.800 -9.530 -7.589 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.289 -10.317 -8.315 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.047 -9.060 -9.511 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.509 -10.412 -10.610 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.012 -11.571 -7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -3.065 -13.041 -7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.293 -12.304 -10.921 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.096 -13.454 -9.595 1.00 0.00 H new ATOM 1651 N PHE A 103 -1.814 -8.684 -5.033 1.00 0.00 N ATOM 1652 CA PHE A 103 -0.376 -8.921 -4.974 1.00 0.00 C ATOM 1653 C PHE A 103 0.083 -9.783 -6.146 1.00 0.00 C ATOM 1654 O PHE A 103 -0.541 -10.787 -6.492 1.00 0.00 O ATOM 1655 CB PHE A 103 -0.002 -9.595 -3.652 1.00 0.00 C ATOM 1656 CG PHE A 103 1.388 -9.272 -3.186 1.00 0.00 C ATOM 1657 CD1 PHE A 103 1.800 -7.956 -3.051 1.00 0.00 C ATOM 1658 CD2 PHE A 103 2.285 -10.285 -2.884 1.00 0.00 C ATOM 1659 CE1 PHE A 103 3.079 -7.655 -2.622 1.00 0.00 C ATOM 1660 CE2 PHE A 103 3.565 -9.990 -2.454 1.00 0.00 C ATOM 1661 CZ PHE A 103 3.963 -8.674 -2.324 1.00 0.00 C ATOM 0 H PHE A 103 -2.372 -9.337 -4.483 1.00 0.00 H new ATOM 0 HA PHE A 103 0.128 -7.957 -5.037 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.714 -9.291 -2.884 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.097 -10.675 -3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.113 -7.156 -3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.980 -11.316 -2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 103 3.387 -6.625 -2.520 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.254 -10.788 -2.220 1.00 0.00 H new ATOM 0 HZ PHE A 103 4.963 -8.442 -1.990 1.00 0.00 H new ATOM 1671 N PRO A 104 1.199 -9.384 -6.773 1.00 0.00 N ATOM 1672 CA PRO A 104 1.767 -10.106 -7.915 1.00 0.00 C ATOM 1673 C PRO A 104 2.356 -11.454 -7.515 1.00 0.00 C ATOM 1674 O PRO A 104 2.245 -11.873 -6.363 1.00 0.00 O ATOM 1675 CB PRO A 104 2.868 -9.168 -8.416 1.00 0.00 C ATOM 1676 CG PRO A 104 3.251 -8.363 -7.223 1.00 0.00 C ATOM 1677 CD PRO A 104 1.994 -8.198 -6.414 1.00 0.00 C ATOM 0 HA PRO A 104 1.012 -10.339 -8.666 1.00 0.00 H new ATOM 0 HB2 PRO A 104 3.718 -9.728 -8.805 1.00 0.00 H new ATOM 0 HB3 PRO A 104 2.508 -8.531 -9.224 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.024 -8.867 -6.644 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.655 -7.395 -7.519 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.206 -8.165 -5.345 1.00 0.00 H new ATOM 0 HD3 PRO A 104 1.473 -7.274 -6.665 1.00 0.00 H new ATOM 1685 N ALA A 105 2.985 -12.128 -8.472 1.00 0.00 N ATOM 1686 CA ALA A 105 3.594 -13.428 -8.218 1.00 0.00 C ATOM 1687 C ALA A 105 4.908 -13.576 -8.978 1.00 0.00 C ATOM 1688 O ALA A 105 4.921 -13.637 -10.208 1.00 0.00 O ATOM 1689 CB ALA A 105 2.634 -14.545 -8.598 1.00 0.00 C ATOM 0 H ALA A 105 3.086 -11.795 -9.431 1.00 0.00 H new ATOM 0 HA ALA A 105 3.810 -13.498 -7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.103 -15.510 -8.403 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.722 -14.458 -8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.388 -14.469 -9.657 1.00 0.00 H new