USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 LYS NZ :NH3+ 148:sc= 1.05 (180deg=0.668) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 29:sc= 0.12 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 41 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.59) USER MOD Single : A 51 HIS : +bothHN:sc= 1.22 K(o=1.2,f=-9.6!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 58 CYS SG : rot 75:sc= 1.27 USER MOD Single : A 61 SER OG : rot 70:sc= 0.215 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 82:sc= 0.346 USER MOD Single : A 79 SER OG : rot -80:sc= 1.25 USER MOD Single : A 81 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.16) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -159:sc= -0.187 (180deg=-0.768) USER MOD ----------------------------------------------------------------- ATOM 148 N ASP A 10 -8.954 8.560 8.965 1.00 0.00 N ATOM 149 CA ASP A 10 -8.658 7.149 8.800 1.00 0.00 C ATOM 150 C ASP A 10 -9.883 6.364 8.345 1.00 0.00 C ATOM 151 O ASP A 10 -10.870 6.227 9.069 1.00 0.00 O ATOM 152 CB ASP A 10 -8.089 6.555 10.101 1.00 0.00 C ATOM 153 CG ASP A 10 -9.079 6.582 11.254 1.00 0.00 C ATOM 154 OD1 ASP A 10 -9.362 7.682 11.775 1.00 0.00 O ATOM 155 OD2 ASP A 10 -9.585 5.504 11.634 1.00 0.00 O ATOM 0 HA ASP A 10 -7.903 7.064 8.018 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.781 5.525 9.919 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.195 7.109 10.385 1.00 0.00 H new ATOM 160 N VAL A 11 -9.825 5.885 7.118 1.00 0.00 N ATOM 161 CA VAL A 11 -10.788 4.923 6.641 1.00 0.00 C ATOM 162 C VAL A 11 -10.328 3.534 7.053 1.00 0.00 C ATOM 163 O VAL A 11 -9.300 3.032 6.582 1.00 0.00 O ATOM 164 CB VAL A 11 -10.988 5.009 5.112 1.00 0.00 C ATOM 165 CG1 VAL A 11 -11.971 6.117 4.771 1.00 0.00 C ATOM 166 CG2 VAL A 11 -9.667 5.253 4.399 1.00 0.00 C ATOM 0 H VAL A 11 -9.117 6.150 6.434 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.757 5.143 7.089 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.390 4.055 4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.103 6.167 3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.931 5.910 5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.585 7.070 5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.839 5.309 3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.234 6.191 4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.981 4.434 4.615 1.00 0.00 H new ATOM 176 N LYS A 12 -11.062 2.944 7.980 1.00 0.00 N ATOM 177 CA LYS A 12 -10.658 1.692 8.597 1.00 0.00 C ATOM 178 C LYS A 12 -10.870 0.515 7.656 1.00 0.00 C ATOM 179 O LYS A 12 -11.951 0.341 7.089 1.00 0.00 O ATOM 180 CB LYS A 12 -11.430 1.478 9.899 1.00 0.00 C ATOM 181 CG LYS A 12 -11.156 2.550 10.942 1.00 0.00 C ATOM 182 CD LYS A 12 -12.061 2.400 12.155 1.00 0.00 C ATOM 183 CE LYS A 12 -11.779 3.467 13.205 1.00 0.00 C ATOM 184 NZ LYS A 12 -11.889 4.844 12.653 1.00 0.00 N ATOM 0 H LYS A 12 -11.948 3.315 8.324 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.592 1.752 8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.498 1.457 9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.170 0.504 10.312 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.114 2.494 11.256 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.302 3.535 10.499 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.103 2.465 11.842 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.921 1.412 12.594 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.479 3.353 14.033 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.778 3.319 13.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.227 5.489 13.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.956 5.159 12.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.561 4.847 11.859 1.00 0.00 H new ATOM 198 N TRP A 13 -9.830 -0.289 7.502 1.00 0.00 N ATOM 199 CA TRP A 13 -9.884 -1.448 6.633 1.00 0.00 C ATOM 200 C TRP A 13 -10.611 -2.590 7.318 1.00 0.00 C ATOM 201 O TRP A 13 -10.466 -2.798 8.524 1.00 0.00 O ATOM 202 CB TRP A 13 -8.477 -1.901 6.236 1.00 0.00 C ATOM 203 CG TRP A 13 -8.163 -1.679 4.791 1.00 0.00 C ATOM 204 CD1 TRP A 13 -9.012 -1.855 3.739 1.00 0.00 C ATOM 205 CD2 TRP A 13 -6.912 -1.261 4.231 1.00 0.00 C ATOM 206 NE1 TRP A 13 -8.375 -1.556 2.563 1.00 0.00 N ATOM 207 CE2 TRP A 13 -7.083 -1.192 2.837 1.00 0.00 C ATOM 208 CE3 TRP A 13 -5.667 -0.932 4.772 1.00 0.00 C ATOM 209 CZ2 TRP A 13 -6.060 -0.808 1.976 1.00 0.00 C ATOM 210 CZ3 TRP A 13 -4.650 -0.554 3.916 1.00 0.00 C ATOM 211 CH2 TRP A 13 -4.851 -0.493 2.533 1.00 0.00 C ATOM 0 H TRP A 13 -8.934 -0.157 7.972 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.428 -1.164 5.732 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.747 -1.367 6.844 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -8.368 -2.961 6.464 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -10.038 -2.183 3.821 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -8.795 -1.598 1.634 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.502 -0.972 5.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.215 -0.760 0.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.682 -0.301 4.322 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.036 -0.191 1.892 1.00 0.00 H new ATOM 222 N GLU A 14 -11.400 -3.314 6.547 1.00 0.00 N ATOM 223 CA GLU A 14 -12.086 -4.490 7.050 1.00 0.00 C ATOM 224 C GLU A 14 -11.104 -5.654 7.088 1.00 0.00 C ATOM 225 O GLU A 14 -10.772 -6.169 8.155 1.00 0.00 O ATOM 226 CB GLU A 14 -13.274 -4.814 6.153 1.00 0.00 C ATOM 227 CG GLU A 14 -14.210 -5.860 6.721 1.00 0.00 C ATOM 228 CD GLU A 14 -15.367 -6.137 5.790 1.00 0.00 C ATOM 229 OE1 GLU A 14 -16.313 -5.325 5.758 1.00 0.00 O ATOM 230 OE2 GLU A 14 -15.319 -7.154 5.067 1.00 0.00 O ATOM 0 H GLU A 14 -11.583 -3.107 5.565 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.459 -4.306 8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.837 -3.899 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.903 -5.159 5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.659 -6.783 6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.591 -5.523 7.685 1.00 0.00 H new ATOM 237 N LYS A 15 -10.639 -6.054 5.913 1.00 0.00 N ATOM 238 CA LYS A 15 -9.530 -6.985 5.811 1.00 0.00 C ATOM 239 C LYS A 15 -8.246 -6.213 5.537 1.00 0.00 C ATOM 240 O LYS A 15 -8.062 -5.662 4.448 1.00 0.00 O ATOM 241 CB LYS A 15 -9.777 -8.024 4.715 1.00 0.00 C ATOM 242 CG LYS A 15 -10.223 -9.374 5.254 1.00 0.00 C ATOM 243 CD LYS A 15 -9.136 -10.007 6.111 1.00 0.00 C ATOM 244 CE LYS A 15 -9.582 -11.336 6.698 1.00 0.00 C ATOM 245 NZ LYS A 15 -8.521 -11.959 7.535 1.00 0.00 N ATOM 0 H LYS A 15 -11.015 -5.746 5.016 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.436 -7.522 6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.536 -7.646 4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.863 -8.156 4.137 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.131 -9.252 5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.469 -10.037 4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.240 -10.158 5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.866 -9.326 6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.477 -11.184 7.301 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.853 -12.016 5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.866 -12.863 7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.675 -12.128 6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.280 -11.322 8.321 1.00 0.00 H new ATOM 259 N PRO A 16 -7.368 -6.144 6.545 1.00 0.00 N ATOM 260 CA PRO A 16 -6.122 -5.373 6.480 1.00 0.00 C ATOM 261 C PRO A 16 -5.086 -5.981 5.535 1.00 0.00 C ATOM 262 O PRO A 16 -5.212 -7.128 5.105 1.00 0.00 O ATOM 263 CB PRO A 16 -5.615 -5.410 7.923 1.00 0.00 C ATOM 264 CG PRO A 16 -6.191 -6.655 8.497 1.00 0.00 C ATOM 265 CD PRO A 16 -7.531 -6.821 7.846 1.00 0.00 C ATOM 0 HA PRO A 16 -6.291 -4.370 6.089 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.526 -5.425 7.959 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.940 -4.531 8.479 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.549 -7.512 8.295 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.289 -6.578 9.580 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.789 -7.873 7.722 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.324 -6.366 8.439 1.00 0.00 H new ATOM 273 N VAL A 17 -4.060 -5.202 5.220 1.00 0.00 N ATOM 274 CA VAL A 17 -3.002 -5.646 4.323 1.00 0.00 C ATOM 275 C VAL A 17 -1.741 -5.992 5.110 1.00 0.00 C ATOM 276 O VAL A 17 -1.320 -5.232 5.982 1.00 0.00 O ATOM 277 CB VAL A 17 -2.666 -4.564 3.272 1.00 0.00 C ATOM 278 CG1 VAL A 17 -1.622 -5.071 2.288 1.00 0.00 C ATOM 279 CG2 VAL A 17 -3.923 -4.119 2.538 1.00 0.00 C ATOM 0 H VAL A 17 -3.938 -4.254 5.575 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.364 -6.535 3.807 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.251 -3.702 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.402 -4.292 1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.711 -5.332 2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.005 -5.953 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.664 -3.357 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.371 -4.974 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.635 -3.707 3.253 1.00 0.00 H new ATOM 289 N THR A 18 -1.153 -7.141 4.808 1.00 0.00 N ATOM 290 CA THR A 18 0.065 -7.580 5.474 1.00 0.00 C ATOM 291 C THR A 18 1.288 -7.361 4.582 1.00 0.00 C ATOM 292 O THR A 18 1.454 -8.030 3.562 1.00 0.00 O ATOM 293 CB THR A 18 -0.031 -9.070 5.856 1.00 0.00 C ATOM 294 OG1 THR A 18 -1.225 -9.297 6.614 1.00 0.00 O ATOM 295 CG2 THR A 18 1.178 -9.509 6.668 1.00 0.00 C ATOM 0 H THR A 18 -1.502 -7.789 4.102 1.00 0.00 H new ATOM 0 HA THR A 18 0.178 -6.984 6.379 1.00 0.00 H new ATOM 0 HB THR A 18 -0.058 -9.656 4.937 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.285 -10.245 6.854 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.082 -10.564 6.923 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.084 -9.359 6.081 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.236 -8.919 7.583 1.00 0.00 H new ATOM 303 N ILE A 19 2.131 -6.412 4.966 1.00 0.00 N ATOM 304 CA ILE A 19 3.360 -6.125 4.237 1.00 0.00 C ATOM 305 C ILE A 19 4.573 -6.527 5.069 1.00 0.00 C ATOM 306 O ILE A 19 4.829 -5.959 6.130 1.00 0.00 O ATOM 307 CB ILE A 19 3.463 -4.626 3.867 1.00 0.00 C ATOM 308 CG1 ILE A 19 2.394 -4.249 2.835 1.00 0.00 C ATOM 309 CG2 ILE A 19 4.854 -4.285 3.344 1.00 0.00 C ATOM 310 CD1 ILE A 19 2.579 -4.919 1.492 1.00 0.00 C ATOM 0 H ILE A 19 1.984 -5.823 5.786 1.00 0.00 H new ATOM 0 HA ILE A 19 3.338 -6.706 3.315 1.00 0.00 H new ATOM 0 HB ILE A 19 3.290 -4.044 4.773 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.413 -4.512 3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.402 -3.168 2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.898 -3.226 3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.596 -4.506 4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.064 -4.879 2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.785 -4.603 0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.545 -4.636 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.540 -6.001 1.617 1.00 0.00 H new ATOM 322 N SER A 20 5.306 -7.519 4.593 1.00 0.00 N ATOM 323 CA SER A 20 6.483 -8.004 5.295 1.00 0.00 C ATOM 324 C SER A 20 7.731 -7.253 4.837 1.00 0.00 C ATOM 325 O SER A 20 8.041 -7.220 3.644 1.00 0.00 O ATOM 326 CB SER A 20 6.644 -9.502 5.048 1.00 0.00 C ATOM 327 OG SER A 20 6.653 -9.785 3.660 1.00 0.00 O ATOM 0 H SER A 20 5.106 -8.006 3.720 1.00 0.00 H new ATOM 0 HA SER A 20 6.355 -7.828 6.363 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.571 -9.852 5.501 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.830 -10.044 5.529 1.00 0.00 H new ATOM 0 HG SER A 20 7.013 -9.016 3.172 1.00 0.00 H new ATOM 333 N LEU A 21 8.433 -6.641 5.781 1.00 0.00 N ATOM 334 CA LEU A 21 9.648 -5.900 5.468 1.00 0.00 C ATOM 335 C LEU A 21 10.847 -6.845 5.375 1.00 0.00 C ATOM 336 O LEU A 21 10.721 -8.041 5.638 1.00 0.00 O ATOM 337 CB LEU A 21 9.902 -4.823 6.528 1.00 0.00 C ATOM 338 CG LEU A 21 8.718 -3.892 6.804 1.00 0.00 C ATOM 339 CD1 LEU A 21 9.074 -2.879 7.879 1.00 0.00 C ATOM 340 CD2 LEU A 21 8.289 -3.186 5.528 1.00 0.00 C ATOM 0 H LEU A 21 8.182 -6.643 6.770 1.00 0.00 H new ATOM 0 HA LEU A 21 9.515 -5.416 4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.185 -5.312 7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.753 -4.219 6.214 1.00 0.00 H new ATOM 0 HG LEU A 21 7.883 -4.494 7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.220 -2.226 8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.334 -3.402 8.800 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.923 -2.281 7.549 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.447 -2.528 5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.120 -2.597 5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.992 -3.926 4.785 1.00 0.00 H new ATOM 352 N GLN A 22 12.010 -6.297 5.023 1.00 0.00 N ATOM 353 CA GLN A 22 13.230 -7.090 4.839 1.00 0.00 C ATOM 354 C GLN A 22 13.603 -7.856 6.109 1.00 0.00 C ATOM 355 O GLN A 22 14.198 -8.932 6.050 1.00 0.00 O ATOM 356 CB GLN A 22 14.384 -6.171 4.426 1.00 0.00 C ATOM 357 CG GLN A 22 15.697 -6.901 4.188 1.00 0.00 C ATOM 358 CD GLN A 22 16.843 -5.961 3.865 1.00 0.00 C ATOM 359 OE1 GLN A 22 16.645 -4.891 3.288 1.00 0.00 O ATOM 360 NE2 GLN A 22 18.048 -6.352 4.246 1.00 0.00 N ATOM 0 H GLN A 22 12.135 -5.298 4.858 1.00 0.00 H new ATOM 0 HA GLN A 22 13.041 -7.822 4.054 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.105 -5.640 3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 22 14.533 -5.419 5.201 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.950 -7.483 5.074 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.571 -7.608 3.368 1.00 0.00 H new ATOM 0 HE21 GLN A 22 18.167 -7.246 4.721 1.00 0.00 H new ATOM 0 HE22 GLN A 22 18.858 -5.759 4.064 1.00 0.00 H new ATOM 369 N ASN A 23 13.232 -7.303 7.254 1.00 0.00 N ATOM 370 CA ASN A 23 13.562 -7.901 8.545 1.00 0.00 C ATOM 371 C ASN A 23 12.684 -9.117 8.835 1.00 0.00 C ATOM 372 O ASN A 23 12.844 -9.780 9.861 1.00 0.00 O ATOM 373 CB ASN A 23 13.388 -6.870 9.661 1.00 0.00 C ATOM 374 CG ASN A 23 14.160 -5.595 9.401 1.00 0.00 C ATOM 375 OD1 ASN A 23 13.652 -4.671 8.765 1.00 0.00 O ATOM 376 ND2 ASN A 23 15.387 -5.533 9.888 1.00 0.00 N ATOM 0 H ASN A 23 12.699 -6.436 7.318 1.00 0.00 H new ATOM 0 HA ASN A 23 14.601 -8.228 8.504 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.330 -6.634 9.770 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.717 -7.303 10.605 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.952 -4.696 9.742 1.00 0.00 H new ATOM 0 HD22 ASN A 23 15.769 -6.322 10.409 1.00 0.00 H new ATOM 383 N GLY A 24 11.754 -9.405 7.930 1.00 0.00 N ATOM 384 CA GLY A 24 10.826 -10.496 8.144 1.00 0.00 C ATOM 385 C GLY A 24 9.707 -10.097 9.080 1.00 0.00 C ATOM 386 O GLY A 24 9.127 -10.933 9.770 1.00 0.00 O ATOM 0 H GLY A 24 11.628 -8.901 7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.407 -10.811 7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.359 -11.353 8.557 1.00 0.00 H new ATOM 390 N ALA A 25 9.417 -8.803 9.112 1.00 0.00 N ATOM 391 CA ALA A 25 8.381 -8.269 9.981 1.00 0.00 C ATOM 392 C ALA A 25 7.145 -7.897 9.173 1.00 0.00 C ATOM 393 O ALA A 25 7.176 -6.962 8.368 1.00 0.00 O ATOM 394 CB ALA A 25 8.903 -7.062 10.748 1.00 0.00 C ATOM 0 H ALA A 25 9.889 -8.101 8.542 1.00 0.00 H new ATOM 0 HA ALA A 25 8.101 -9.039 10.699 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.116 -6.673 11.394 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.758 -7.359 11.356 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.209 -6.288 10.044 1.00 0.00 H new ATOM 400 N PRO A 26 6.052 -8.651 9.348 1.00 0.00 N ATOM 401 CA PRO A 26 4.781 -8.392 8.676 1.00 0.00 C ATOM 402 C PRO A 26 3.998 -7.265 9.340 1.00 0.00 C ATOM 403 O PRO A 26 3.479 -7.417 10.448 1.00 0.00 O ATOM 404 CB PRO A 26 4.019 -9.724 8.807 1.00 0.00 C ATOM 405 CG PRO A 26 4.967 -10.678 9.464 1.00 0.00 C ATOM 406 CD PRO A 26 5.963 -9.837 10.202 1.00 0.00 C ATOM 0 HA PRO A 26 4.927 -8.073 7.644 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.115 -9.599 9.403 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.708 -10.094 7.830 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.439 -11.344 10.146 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.461 -11.307 8.724 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.623 -9.591 11.208 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.925 -10.339 10.304 1.00 0.00 H new ATOM 414 N ARG A 27 3.942 -6.125 8.673 1.00 0.00 N ATOM 415 CA ARG A 27 3.131 -5.012 9.136 1.00 0.00 C ATOM 416 C ARG A 27 1.720 -5.142 8.584 1.00 0.00 C ATOM 417 O ARG A 27 1.521 -5.218 7.372 1.00 0.00 O ATOM 418 CB ARG A 27 3.742 -3.670 8.727 1.00 0.00 C ATOM 419 CG ARG A 27 4.979 -3.295 9.528 1.00 0.00 C ATOM 420 CD ARG A 27 5.462 -1.891 9.202 1.00 0.00 C ATOM 421 NE ARG A 27 6.504 -1.452 10.129 1.00 0.00 N ATOM 422 CZ ARG A 27 7.209 -0.331 9.999 1.00 0.00 C ATOM 423 NH1 ARG A 27 7.019 0.471 8.960 1.00 0.00 N ATOM 424 NH2 ARG A 27 8.116 -0.011 10.913 1.00 0.00 N ATOM 0 H ARG A 27 4.450 -5.946 7.807 1.00 0.00 H new ATOM 0 HA ARG A 27 3.097 -5.041 10.225 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.002 -3.706 7.669 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.992 -2.888 8.845 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.757 -3.364 10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.776 -4.010 9.322 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.847 -1.865 8.182 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.622 -1.198 9.243 1.00 0.00 H new ATOM 0 HE ARG A 27 6.705 -2.047 10.932 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.327 0.231 8.250 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.565 1.328 8.871 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.272 -0.624 11.713 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.658 0.848 10.815 1.00 0.00 H new ATOM 438 N ILE A 28 0.755 -5.184 9.481 1.00 0.00 N ATOM 439 CA ILE A 28 -0.633 -5.348 9.105 1.00 0.00 C ATOM 440 C ILE A 28 -1.362 -4.016 9.232 1.00 0.00 C ATOM 441 O ILE A 28 -1.580 -3.521 10.338 1.00 0.00 O ATOM 442 CB ILE A 28 -1.324 -6.420 9.977 1.00 0.00 C ATOM 443 CG1 ILE A 28 -0.583 -7.755 9.853 1.00 0.00 C ATOM 444 CG2 ILE A 28 -2.782 -6.578 9.573 1.00 0.00 C ATOM 445 CD1 ILE A 28 -1.192 -8.869 10.676 1.00 0.00 C ATOM 0 H ILE A 28 0.911 -5.106 10.486 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.671 -5.683 8.069 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.293 -6.098 11.018 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.568 -8.056 8.805 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.454 -7.615 10.159 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.252 -7.337 10.198 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.301 -5.628 9.703 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.839 -6.882 8.528 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.613 -9.782 10.537 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.182 -8.590 11.730 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.220 -9.038 10.355 1.00 0.00 H new ATOM 457 N PHE A 29 -1.713 -3.433 8.095 1.00 0.00 N ATOM 458 CA PHE A 29 -2.330 -2.113 8.066 1.00 0.00 C ATOM 459 C PHE A 29 -3.845 -2.229 8.134 1.00 0.00 C ATOM 460 O PHE A 29 -4.483 -2.705 7.194 1.00 0.00 O ATOM 461 CB PHE A 29 -1.915 -1.365 6.799 1.00 0.00 C ATOM 462 CG PHE A 29 -0.434 -1.403 6.552 1.00 0.00 C ATOM 463 CD1 PHE A 29 0.438 -0.686 7.356 1.00 0.00 C ATOM 464 CD2 PHE A 29 0.087 -2.172 5.526 1.00 0.00 C ATOM 465 CE1 PHE A 29 1.800 -0.733 7.136 1.00 0.00 C ATOM 466 CE2 PHE A 29 1.446 -2.222 5.304 1.00 0.00 C ATOM 467 CZ PHE A 29 2.304 -1.505 6.110 1.00 0.00 C ATOM 0 H PHE A 29 -1.581 -3.855 7.176 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.987 -1.552 8.936 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.432 -1.798 5.943 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.238 -0.327 6.875 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.048 -0.084 8.163 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.579 -2.739 4.892 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.470 -0.166 7.766 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.839 -2.823 4.498 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.369 -1.548 5.938 1.00 0.00 H new ATOM 477 N ASN A 30 -4.412 -1.791 9.248 1.00 0.00 N ATOM 478 CA ASN A 30 -5.851 -1.898 9.473 1.00 0.00 C ATOM 479 C ASN A 30 -6.556 -0.607 9.080 1.00 0.00 C ATOM 480 O ASN A 30 -7.748 -0.431 9.330 1.00 0.00 O ATOM 481 CB ASN A 30 -6.143 -2.236 10.938 1.00 0.00 C ATOM 482 CG ASN A 30 -5.751 -3.657 11.300 1.00 0.00 C ATOM 483 OD1 ASN A 30 -6.562 -4.579 11.227 1.00 0.00 O ATOM 484 ND2 ASN A 30 -4.502 -3.844 11.695 1.00 0.00 N ATOM 0 H ASN A 30 -3.898 -1.356 10.014 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.233 -2.704 8.847 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.605 -1.540 11.582 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.206 -2.095 11.134 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.183 -4.778 11.952 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.858 -3.054 11.743 1.00 0.00 H new ATOM 491 N GLY A 31 -5.810 0.291 8.462 1.00 0.00 N ATOM 492 CA GLY A 31 -6.378 1.525 7.965 1.00 0.00 C ATOM 493 C GLY A 31 -5.677 1.980 6.706 1.00 0.00 C ATOM 494 O GLY A 31 -4.459 1.845 6.595 1.00 0.00 O ATOM 0 H GLY A 31 -4.809 0.186 8.294 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.440 1.384 7.763 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.299 2.299 8.729 1.00 0.00 H new ATOM 498 N VAL A 32 -6.432 2.514 5.754 1.00 0.00 N ATOM 499 CA VAL A 32 -5.862 2.934 4.476 1.00 0.00 C ATOM 500 C VAL A 32 -4.827 4.038 4.677 1.00 0.00 C ATOM 501 O VAL A 32 -3.793 4.064 4.007 1.00 0.00 O ATOM 502 CB VAL A 32 -6.953 3.412 3.494 1.00 0.00 C ATOM 503 CG1 VAL A 32 -6.342 3.800 2.157 1.00 0.00 C ATOM 504 CG2 VAL A 32 -8.011 2.333 3.308 1.00 0.00 C ATOM 0 H VAL A 32 -7.437 2.667 5.840 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.372 2.062 4.043 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.432 4.295 3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.129 4.134 1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.625 4.607 2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.834 2.938 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.773 2.686 2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.545 1.432 2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.473 2.107 4.269 1.00 0.00 H new ATOM 514 N TYR A 33 -5.093 4.933 5.623 1.00 0.00 N ATOM 515 CA TYR A 33 -4.150 6.000 5.946 1.00 0.00 C ATOM 516 C TYR A 33 -2.817 5.423 6.419 1.00 0.00 C ATOM 517 O TYR A 33 -1.759 5.961 6.108 1.00 0.00 O ATOM 518 CB TYR A 33 -4.723 6.936 7.018 1.00 0.00 C ATOM 519 CG TYR A 33 -3.701 7.914 7.565 1.00 0.00 C ATOM 520 CD1 TYR A 33 -3.330 9.045 6.845 1.00 0.00 C ATOM 521 CD2 TYR A 33 -3.095 7.693 8.796 1.00 0.00 C ATOM 522 CE1 TYR A 33 -2.381 9.924 7.338 1.00 0.00 C ATOM 523 CE2 TYR A 33 -2.151 8.568 9.296 1.00 0.00 C ATOM 524 CZ TYR A 33 -1.796 9.680 8.565 1.00 0.00 C ATOM 525 OH TYR A 33 -0.850 10.551 9.063 1.00 0.00 O ATOM 0 H TYR A 33 -5.949 4.942 6.177 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.980 6.576 5.036 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.559 7.493 6.596 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.120 6.338 7.839 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.789 9.240 5.887 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.367 6.821 9.372 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.100 10.796 6.766 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.693 8.381 10.256 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.540 10.233 9.937 1.00 0.00 H new ATOM 535 N GLU A 34 -2.880 4.321 7.160 1.00 0.00 N ATOM 536 CA GLU A 34 -1.685 3.682 7.694 1.00 0.00 C ATOM 537 C GLU A 34 -0.797 3.182 6.555 1.00 0.00 C ATOM 538 O GLU A 34 0.426 3.321 6.598 1.00 0.00 O ATOM 539 CB GLU A 34 -2.077 2.529 8.623 1.00 0.00 C ATOM 540 CG GLU A 34 -0.899 1.863 9.309 1.00 0.00 C ATOM 541 CD GLU A 34 -1.322 0.781 10.279 1.00 0.00 C ATOM 542 OE1 GLU A 34 -2.520 0.424 10.294 1.00 0.00 O ATOM 543 OE2 GLU A 34 -0.462 0.288 11.040 1.00 0.00 O ATOM 0 H GLU A 34 -3.752 3.851 7.405 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.120 4.414 8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.762 2.905 9.383 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.620 1.780 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.241 1.432 8.555 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.321 2.617 9.842 1.00 0.00 H new ATOM 550 N ALA A 35 -1.425 2.620 5.528 1.00 0.00 N ATOM 551 CA ALA A 35 -0.702 2.169 4.345 1.00 0.00 C ATOM 552 C ALA A 35 -0.112 3.360 3.598 1.00 0.00 C ATOM 553 O ALA A 35 1.048 3.336 3.191 1.00 0.00 O ATOM 554 CB ALA A 35 -1.620 1.369 3.432 1.00 0.00 C ATOM 0 H ALA A 35 -2.433 2.466 5.491 1.00 0.00 H new ATOM 0 HA ALA A 35 0.115 1.521 4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.064 1.040 2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.998 0.499 3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.456 1.994 3.119 1.00 0.00 H new ATOM 560 N PHE A 36 -0.919 4.404 3.441 1.00 0.00 N ATOM 561 CA PHE A 36 -0.486 5.635 2.785 1.00 0.00 C ATOM 562 C PHE A 36 0.721 6.236 3.508 1.00 0.00 C ATOM 563 O PHE A 36 1.704 6.633 2.878 1.00 0.00 O ATOM 564 CB PHE A 36 -1.648 6.637 2.757 1.00 0.00 C ATOM 565 CG PHE A 36 -1.315 7.965 2.135 1.00 0.00 C ATOM 566 CD1 PHE A 36 -1.233 8.103 0.758 1.00 0.00 C ATOM 567 CD2 PHE A 36 -1.093 9.079 2.930 1.00 0.00 C ATOM 568 CE1 PHE A 36 -0.934 9.327 0.189 1.00 0.00 C ATOM 569 CE2 PHE A 36 -0.795 10.304 2.366 1.00 0.00 C ATOM 570 CZ PHE A 36 -0.715 10.428 0.992 1.00 0.00 C ATOM 0 H PHE A 36 -1.887 4.422 3.763 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.186 5.405 1.762 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.480 6.193 2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.991 6.805 3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.404 7.246 0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.154 8.988 4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.872 9.422 -0.885 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.625 11.163 2.998 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.482 11.384 0.548 1.00 0.00 H new ATOM 580 N ASP A 37 0.632 6.283 4.832 1.00 0.00 N ATOM 581 CA ASP A 37 1.718 6.776 5.672 1.00 0.00 C ATOM 582 C ASP A 37 2.968 5.922 5.481 1.00 0.00 C ATOM 583 O ASP A 37 4.064 6.440 5.270 1.00 0.00 O ATOM 584 CB ASP A 37 1.282 6.763 7.142 1.00 0.00 C ATOM 585 CG ASP A 37 2.366 7.241 8.086 1.00 0.00 C ATOM 586 OD1 ASP A 37 2.600 8.468 8.151 1.00 0.00 O ATOM 587 OD2 ASP A 37 2.969 6.398 8.785 1.00 0.00 O ATOM 0 H ASP A 37 -0.192 5.982 5.353 1.00 0.00 H new ATOM 0 HA ASP A 37 1.955 7.799 5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.401 7.395 7.259 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.987 5.751 7.419 1.00 0.00 H new ATOM 592 N PHE A 38 2.778 4.612 5.525 1.00 0.00 N ATOM 593 CA PHE A 38 3.861 3.653 5.337 1.00 0.00 C ATOM 594 C PHE A 38 4.568 3.859 3.995 1.00 0.00 C ATOM 595 O PHE A 38 5.799 3.866 3.932 1.00 0.00 O ATOM 596 CB PHE A 38 3.301 2.230 5.428 1.00 0.00 C ATOM 597 CG PHE A 38 4.289 1.155 5.073 1.00 0.00 C ATOM 598 CD1 PHE A 38 5.321 0.827 5.936 1.00 0.00 C ATOM 599 CD2 PHE A 38 4.173 0.460 3.879 1.00 0.00 C ATOM 600 CE1 PHE A 38 6.223 -0.168 5.611 1.00 0.00 C ATOM 601 CE2 PHE A 38 5.070 -0.532 3.549 1.00 0.00 C ATOM 602 CZ PHE A 38 6.094 -0.849 4.416 1.00 0.00 C ATOM 0 H PHE A 38 1.869 4.181 5.692 1.00 0.00 H new ATOM 0 HA PHE A 38 4.599 3.809 6.124 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.942 2.057 6.443 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.439 2.148 4.766 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.422 1.354 6.873 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.369 0.699 3.199 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.027 -0.413 6.289 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.971 -1.061 2.612 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.795 -1.630 4.161 1.00 0.00 H new ATOM 612 N LEU A 39 3.783 4.044 2.938 1.00 0.00 N ATOM 613 CA LEU A 39 4.318 4.201 1.586 1.00 0.00 C ATOM 614 C LEU A 39 5.235 5.416 1.476 1.00 0.00 C ATOM 615 O LEU A 39 6.169 5.428 0.669 1.00 0.00 O ATOM 616 CB LEU A 39 3.175 4.332 0.571 1.00 0.00 C ATOM 617 CG LEU A 39 2.277 3.103 0.436 1.00 0.00 C ATOM 618 CD1 LEU A 39 1.117 3.390 -0.503 1.00 0.00 C ATOM 619 CD2 LEU A 39 3.084 1.913 -0.058 1.00 0.00 C ATOM 0 H LEU A 39 2.765 4.089 2.991 1.00 0.00 H new ATOM 0 HA LEU A 39 4.905 3.309 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.557 5.184 0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.603 4.558 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 39 1.869 2.861 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.489 2.503 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.527 4.217 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.503 3.655 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.432 1.044 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.517 2.146 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.882 1.695 0.652 1.00 0.00 H new ATOM 631 N GLN A 40 4.962 6.438 2.272 1.00 0.00 N ATOM 632 CA GLN A 40 5.760 7.658 2.241 1.00 0.00 C ATOM 633 C GLN A 40 6.825 7.659 3.332 1.00 0.00 C ATOM 634 O GLN A 40 7.692 8.534 3.367 1.00 0.00 O ATOM 635 CB GLN A 40 4.864 8.888 2.395 1.00 0.00 C ATOM 636 CG GLN A 40 3.958 9.155 1.201 1.00 0.00 C ATOM 637 CD GLN A 40 2.994 10.300 1.451 1.00 0.00 C ATOM 638 OE1 GLN A 40 2.559 10.525 2.581 1.00 0.00 O ATOM 639 NE2 GLN A 40 2.666 11.044 0.405 1.00 0.00 N ATOM 0 H GLN A 40 4.197 6.449 2.946 1.00 0.00 H new ATOM 0 HA GLN A 40 6.262 7.695 1.274 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.246 8.764 3.285 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.493 9.763 2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.570 9.383 0.328 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.393 8.252 0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.047 10.826 -0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.032 11.835 0.520 1.00 0.00 H new ATOM 648 N HIS A 41 6.755 6.686 4.228 1.00 0.00 N ATOM 649 CA HIS A 41 7.734 6.573 5.298 1.00 0.00 C ATOM 650 C HIS A 41 8.870 5.649 4.897 1.00 0.00 C ATOM 651 O HIS A 41 9.993 6.102 4.674 1.00 0.00 O ATOM 652 CB HIS A 41 7.084 6.087 6.596 1.00 0.00 C ATOM 653 CG HIS A 41 6.504 7.194 7.422 1.00 0.00 C ATOM 654 ND1 HIS A 41 6.799 7.372 8.753 1.00 0.00 N ATOM 655 CD2 HIS A 41 5.640 8.184 7.097 1.00 0.00 C ATOM 656 CE1 HIS A 41 6.145 8.423 9.210 1.00 0.00 C ATOM 657 NE2 HIS A 41 5.432 8.936 8.225 1.00 0.00 N ATOM 0 H HIS A 41 6.033 5.966 4.236 1.00 0.00 H new ATOM 0 HA HIS A 41 8.143 7.567 5.476 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.296 5.373 6.354 1.00 0.00 H new ATOM 0 HB3 HIS A 41 7.827 5.553 7.188 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.196 8.351 6.127 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.186 8.800 10.221 1.00 0.00 H new ATOM 0 HE2 HIS A 41 4.827 9.755 8.291 1.00 0.00 H new ATOM 666 N GLU A 42 8.578 4.360 4.786 1.00 0.00 N ATOM 667 CA GLU A 42 9.606 3.382 4.462 1.00 0.00 C ATOM 668 C GLU A 42 9.064 2.272 3.571 1.00 0.00 C ATOM 669 O GLU A 42 8.762 1.176 4.040 1.00 0.00 O ATOM 670 CB GLU A 42 10.214 2.772 5.730 1.00 0.00 C ATOM 671 CG GLU A 42 11.047 3.745 6.547 1.00 0.00 C ATOM 672 CD GLU A 42 11.743 3.078 7.709 1.00 0.00 C ATOM 673 OE1 GLU A 42 12.822 2.485 7.498 1.00 0.00 O ATOM 674 OE2 GLU A 42 11.223 3.151 8.844 1.00 0.00 O ATOM 0 H GLU A 42 7.644 3.970 4.915 1.00 0.00 H new ATOM 0 HA GLU A 42 10.386 3.915 3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.410 2.384 6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.837 1.923 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.791 4.212 5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.405 4.542 6.922 1.00 0.00 H new ATOM 681 N TRP A 43 8.910 2.575 2.295 1.00 0.00 N ATOM 682 CA TRP A 43 8.603 1.552 1.308 1.00 0.00 C ATOM 683 C TRP A 43 9.904 0.858 0.894 1.00 0.00 C ATOM 684 O TRP A 43 10.842 1.521 0.449 1.00 0.00 O ATOM 685 CB TRP A 43 7.904 2.187 0.098 1.00 0.00 C ATOM 686 CG TRP A 43 7.472 1.204 -0.953 1.00 0.00 C ATOM 687 CD1 TRP A 43 7.886 1.166 -2.252 1.00 0.00 C ATOM 688 CD2 TRP A 43 6.546 0.120 -0.797 1.00 0.00 C ATOM 689 NE1 TRP A 43 7.277 0.128 -2.913 1.00 0.00 N ATOM 690 CE2 TRP A 43 6.450 -0.529 -2.042 1.00 0.00 C ATOM 691 CE3 TRP A 43 5.789 -0.365 0.273 1.00 0.00 C ATOM 692 CZ2 TRP A 43 5.629 -1.636 -2.245 1.00 0.00 C ATOM 693 CZ3 TRP A 43 4.974 -1.463 0.070 1.00 0.00 C ATOM 694 CH2 TRP A 43 4.901 -2.088 -1.181 1.00 0.00 C ATOM 0 H TRP A 43 8.992 3.519 1.917 1.00 0.00 H new ATOM 0 HA TRP A 43 7.927 0.810 1.733 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.030 2.737 0.446 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.578 2.914 -0.356 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.591 1.853 -2.696 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.418 -0.114 -3.894 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.840 0.110 1.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.570 -2.120 -3.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.384 -1.845 0.890 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.256 -2.945 -1.307 1.00 0.00 H new ATOM 705 N PRO A 44 9.996 -0.477 1.075 1.00 0.00 N ATOM 706 CA PRO A 44 11.208 -1.264 0.750 1.00 0.00 C ATOM 707 C PRO A 44 11.487 -1.371 -0.756 1.00 0.00 C ATOM 708 O PRO A 44 11.972 -2.398 -1.238 1.00 0.00 O ATOM 709 CB PRO A 44 10.900 -2.658 1.318 1.00 0.00 C ATOM 710 CG PRO A 44 9.725 -2.475 2.216 1.00 0.00 C ATOM 711 CD PRO A 44 8.947 -1.327 1.649 1.00 0.00 C ATOM 0 HA PRO A 44 12.097 -0.791 1.166 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.677 -3.366 0.520 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.754 -3.055 1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.117 -3.379 2.252 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.043 -2.264 3.237 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.234 -1.656 0.893 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.378 -0.804 2.418 1.00 0.00 H new ATOM 719 N ALA A 45 11.211 -0.299 -1.479 1.00 0.00 N ATOM 720 CA ALA A 45 11.424 -0.240 -2.915 1.00 0.00 C ATOM 721 C ALA A 45 11.259 1.195 -3.386 1.00 0.00 C ATOM 722 O ALA A 45 10.875 2.061 -2.600 1.00 0.00 O ATOM 723 CB ALA A 45 10.442 -1.151 -3.644 1.00 0.00 C ATOM 0 H ALA A 45 10.830 0.561 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 45 12.433 -0.584 -3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.619 -1.092 -4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.582 -2.179 -3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.422 -0.835 -3.426 1.00 0.00 H new ATOM 729 N ARG A 46 11.560 1.457 -4.651 1.00 0.00 N ATOM 730 CA ARG A 46 11.278 2.764 -5.224 1.00 0.00 C ATOM 731 C ARG A 46 9.786 2.874 -5.503 1.00 0.00 C ATOM 732 O ARG A 46 9.030 3.437 -4.711 1.00 0.00 O ATOM 733 CB ARG A 46 12.083 3.001 -6.506 1.00 0.00 C ATOM 734 CG ARG A 46 13.583 3.096 -6.279 1.00 0.00 C ATOM 735 CD ARG A 46 14.323 3.424 -7.568 1.00 0.00 C ATOM 736 NE ARG A 46 14.123 2.401 -8.590 1.00 0.00 N ATOM 737 CZ ARG A 46 14.085 2.646 -9.898 1.00 0.00 C ATOM 738 NH1 ARG A 46 14.236 3.885 -10.358 1.00 0.00 N ATOM 739 NH2 ARG A 46 13.898 1.641 -10.745 1.00 0.00 N ATOM 0 H ARG A 46 11.993 0.792 -5.291 1.00 0.00 H new ATOM 0 HA ARG A 46 11.576 3.531 -4.509 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.881 2.190 -7.206 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.737 3.921 -6.976 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.791 3.863 -5.533 1.00 0.00 H new ATOM 0 HG3 ARG A 46 13.952 2.152 -5.877 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.981 4.387 -7.947 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.388 3.524 -7.359 1.00 0.00 H new ATOM 0 HE ARG A 46 14.005 1.436 -8.282 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.382 4.656 -9.707 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.206 4.064 -11.362 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.785 0.691 -10.392 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.867 1.819 -11.749 1.00 0.00 H new ATOM 753 N GLY A 47 9.364 2.334 -6.632 1.00 0.00 N ATOM 754 CA GLY A 47 7.952 2.229 -6.911 1.00 0.00 C ATOM 755 C GLY A 47 7.567 2.873 -8.220 1.00 0.00 C ATOM 756 O GLY A 47 6.864 2.267 -9.031 1.00 0.00 O ATOM 0 H GLY A 47 9.975 1.966 -7.361 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.667 1.177 -6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.390 2.696 -6.102 1.00 0.00 H new ATOM 760 N ASP A 48 8.024 4.106 -8.411 1.00 0.00 N ATOM 761 CA ASP A 48 7.697 4.892 -9.598 1.00 0.00 C ATOM 762 C ASP A 48 6.189 4.930 -9.819 1.00 0.00 C ATOM 763 O ASP A 48 5.444 5.359 -8.937 1.00 0.00 O ATOM 764 CB ASP A 48 8.420 4.342 -10.836 1.00 0.00 C ATOM 765 CG ASP A 48 9.919 4.554 -10.774 1.00 0.00 C ATOM 766 OD1 ASP A 48 10.388 5.623 -11.230 1.00 0.00 O ATOM 767 OD2 ASP A 48 10.628 3.664 -10.271 1.00 0.00 O ATOM 0 H ASP A 48 8.631 4.589 -7.749 1.00 0.00 H new ATOM 0 HA ASP A 48 8.042 5.913 -9.436 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.211 3.277 -10.932 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.024 4.826 -11.729 1.00 0.00 H new ATOM 772 N ARG A 49 5.741 4.446 -10.972 1.00 0.00 N ATOM 773 CA ARG A 49 4.321 4.447 -11.315 1.00 0.00 C ATOM 774 C ARG A 49 3.507 3.706 -10.260 1.00 0.00 C ATOM 775 O ARG A 49 2.474 4.193 -9.810 1.00 0.00 O ATOM 776 CB ARG A 49 4.113 3.793 -12.679 1.00 0.00 C ATOM 777 CG ARG A 49 2.691 3.888 -13.213 1.00 0.00 C ATOM 778 CD ARG A 49 2.555 3.152 -14.539 1.00 0.00 C ATOM 779 NE ARG A 49 3.466 3.682 -15.556 1.00 0.00 N ATOM 780 CZ ARG A 49 4.298 2.935 -16.284 1.00 0.00 C ATOM 781 NH1 ARG A 49 4.314 1.613 -16.141 1.00 0.00 N ATOM 782 NH2 ARG A 49 5.108 3.506 -17.162 1.00 0.00 N ATOM 0 H ARG A 49 6.344 4.045 -11.690 1.00 0.00 H new ATOM 0 HA ARG A 49 3.980 5.481 -11.353 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.789 4.257 -13.397 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.393 2.742 -12.610 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.997 3.466 -12.486 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.417 4.935 -13.344 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.758 2.092 -14.388 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.528 3.233 -14.895 1.00 0.00 H new ATOM 0 HE ARG A 49 3.464 4.689 -15.719 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.688 1.165 -15.472 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.952 1.047 -16.700 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.097 4.519 -17.283 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.743 2.933 -17.718 1.00 0.00 H new ATOM 796 N ALA A 50 4.000 2.542 -9.849 1.00 0.00 N ATOM 797 CA ALA A 50 3.290 1.700 -8.894 1.00 0.00 C ATOM 798 C ALA A 50 3.176 2.384 -7.538 1.00 0.00 C ATOM 799 O ALA A 50 2.161 2.264 -6.852 1.00 0.00 O ATOM 800 CB ALA A 50 3.991 0.358 -8.751 1.00 0.00 C ATOM 0 H ALA A 50 4.892 2.160 -10.164 1.00 0.00 H new ATOM 0 HA ALA A 50 2.282 1.533 -9.274 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.450 -0.261 -8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.016 -0.144 -9.718 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.010 0.516 -8.397 1.00 0.00 H new ATOM 806 N HIS A 51 4.218 3.116 -7.162 1.00 0.00 N ATOM 807 CA HIS A 51 4.240 3.813 -5.883 1.00 0.00 C ATOM 808 C HIS A 51 3.276 4.988 -5.907 1.00 0.00 C ATOM 809 O HIS A 51 2.511 5.197 -4.963 1.00 0.00 O ATOM 810 CB HIS A 51 5.656 4.306 -5.562 1.00 0.00 C ATOM 811 CG HIS A 51 5.786 4.962 -4.220 1.00 0.00 C ATOM 812 ND1 HIS A 51 5.731 6.327 -4.037 1.00 0.00 N ATOM 813 CD2 HIS A 51 5.984 4.430 -2.989 1.00 0.00 C ATOM 814 CE1 HIS A 51 5.890 6.605 -2.756 1.00 0.00 C ATOM 815 NE2 HIS A 51 6.043 5.473 -2.100 1.00 0.00 N ATOM 0 H HIS A 51 5.059 3.242 -7.725 1.00 0.00 H new ATOM 0 HA HIS A 51 3.929 3.114 -5.107 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.343 3.461 -5.610 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.966 5.013 -6.332 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.589 7.015 -4.776 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.078 3.380 -2.752 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.894 7.593 -2.320 1.00 0.00 H new ATOM 0 HE2 HIS A 51 6.183 5.386 -1.093 1.00 0.00 H new ATOM 824 N GLU A 52 3.311 5.745 -6.995 1.00 0.00 N ATOM 825 CA GLU A 52 2.487 6.934 -7.115 1.00 0.00 C ATOM 826 C GLU A 52 1.015 6.564 -7.232 1.00 0.00 C ATOM 827 O GLU A 52 0.174 7.157 -6.556 1.00 0.00 O ATOM 828 CB GLU A 52 2.932 7.778 -8.308 1.00 0.00 C ATOM 829 CG GLU A 52 4.405 8.156 -8.253 1.00 0.00 C ATOM 830 CD GLU A 52 4.806 8.765 -6.922 1.00 0.00 C ATOM 831 OE1 GLU A 52 4.646 9.991 -6.755 1.00 0.00 O ATOM 832 OE2 GLU A 52 5.288 8.019 -6.040 1.00 0.00 O ATOM 0 H GLU A 52 3.901 5.555 -7.805 1.00 0.00 H new ATOM 0 HA GLU A 52 2.613 7.529 -6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.738 7.227 -9.228 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.331 8.686 -8.348 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.010 7.269 -8.439 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.624 8.864 -9.052 1.00 0.00 H new ATOM 839 N GLN A 53 0.706 5.574 -8.071 1.00 0.00 N ATOM 840 CA GLN A 53 -0.664 5.088 -8.197 1.00 0.00 C ATOM 841 C GLN A 53 -1.205 4.642 -6.845 1.00 0.00 C ATOM 842 O GLN A 53 -2.334 4.971 -6.484 1.00 0.00 O ATOM 843 CB GLN A 53 -0.755 3.932 -9.196 1.00 0.00 C ATOM 844 CG GLN A 53 -0.528 4.349 -10.641 1.00 0.00 C ATOM 845 CD GLN A 53 -0.731 3.204 -11.612 1.00 0.00 C ATOM 846 OE1 GLN A 53 -0.499 2.040 -11.283 1.00 0.00 O ATOM 847 NE2 GLN A 53 -1.170 3.523 -12.819 1.00 0.00 N ATOM 0 H GLN A 53 1.382 5.098 -8.668 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.270 5.914 -8.568 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.020 3.173 -8.927 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.738 3.468 -9.112 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.210 5.161 -10.893 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.484 4.738 -10.749 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.351 4.499 -13.054 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.327 2.793 -13.514 1.00 0.00 H new ATOM 856 N ALA A 54 -0.385 3.912 -6.095 1.00 0.00 N ATOM 857 CA ALA A 54 -0.765 3.446 -4.767 1.00 0.00 C ATOM 858 C ALA A 54 -1.140 4.616 -3.863 1.00 0.00 C ATOM 859 O ALA A 54 -2.156 4.573 -3.170 1.00 0.00 O ATOM 860 CB ALA A 54 0.365 2.640 -4.148 1.00 0.00 C ATOM 0 H ALA A 54 0.551 3.630 -6.387 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.640 2.804 -4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.068 2.298 -3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.585 1.778 -4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.254 3.265 -4.065 1.00 0.00 H new ATOM 866 N LEU A 55 -0.321 5.663 -3.884 1.00 0.00 N ATOM 867 CA LEU A 55 -0.586 6.862 -3.092 1.00 0.00 C ATOM 868 C LEU A 55 -1.898 7.509 -3.519 1.00 0.00 C ATOM 869 O LEU A 55 -2.706 7.913 -2.681 1.00 0.00 O ATOM 870 CB LEU A 55 0.555 7.873 -3.240 1.00 0.00 C ATOM 871 CG LEU A 55 1.911 7.420 -2.698 1.00 0.00 C ATOM 872 CD1 LEU A 55 2.965 8.487 -2.948 1.00 0.00 C ATOM 873 CD2 LEU A 55 1.814 7.105 -1.212 1.00 0.00 C ATOM 0 H LEU A 55 0.533 5.707 -4.441 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.660 6.562 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.668 8.114 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.269 8.794 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 55 2.207 6.512 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.925 8.149 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.053 8.667 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.674 9.411 -2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.788 6.784 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.497 7.997 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.087 6.308 -1.056 1.00 0.00 H new ATOM 885 N ARG A 56 -2.106 7.592 -4.826 1.00 0.00 N ATOM 886 CA ARG A 56 -3.310 8.204 -5.376 1.00 0.00 C ATOM 887 C ARG A 56 -4.554 7.413 -4.975 1.00 0.00 C ATOM 888 O ARG A 56 -5.588 7.992 -4.640 1.00 0.00 O ATOM 889 CB ARG A 56 -3.205 8.300 -6.900 1.00 0.00 C ATOM 890 CG ARG A 56 -1.986 9.075 -7.375 1.00 0.00 C ATOM 891 CD ARG A 56 -2.028 9.332 -8.870 1.00 0.00 C ATOM 892 NE ARG A 56 -2.985 10.380 -9.212 1.00 0.00 N ATOM 893 CZ ARG A 56 -3.313 10.724 -10.455 1.00 0.00 C ATOM 894 NH1 ARG A 56 -2.834 10.044 -11.491 1.00 0.00 N ATOM 895 NH2 ARG A 56 -4.135 11.744 -10.661 1.00 0.00 N ATOM 0 H ARG A 56 -1.454 7.242 -5.528 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.402 9.210 -4.967 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.172 7.294 -7.318 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.104 8.778 -7.289 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.930 10.025 -6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.082 8.518 -7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.035 9.618 -9.218 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.295 8.412 -9.390 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.433 10.883 -8.446 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.210 9.252 -11.337 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.090 10.314 -12.441 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.514 12.262 -9.868 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.389 12.011 -11.612 1.00 0.00 H new ATOM 909 N LEU A 57 -4.437 6.090 -4.986 1.00 0.00 N ATOM 910 CA LEU A 57 -5.532 5.211 -4.588 1.00 0.00 C ATOM 911 C LEU A 57 -5.859 5.390 -3.107 1.00 0.00 C ATOM 912 O LEU A 57 -7.030 5.443 -2.717 1.00 0.00 O ATOM 913 CB LEU A 57 -5.166 3.752 -4.870 1.00 0.00 C ATOM 914 CG LEU A 57 -4.933 3.417 -6.341 1.00 0.00 C ATOM 915 CD1 LEU A 57 -4.350 2.022 -6.480 1.00 0.00 C ATOM 916 CD2 LEU A 57 -6.232 3.532 -7.123 1.00 0.00 C ATOM 0 H LEU A 57 -3.589 5.599 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.414 5.477 -5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.264 3.505 -4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.963 3.113 -4.489 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.219 4.132 -6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.190 1.798 -7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.399 1.970 -5.949 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.042 1.295 -6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.049 3.290 -8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.966 2.838 -6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.613 4.550 -7.047 1.00 0.00 H new ATOM 928 N CYS A 58 -4.820 5.492 -2.288 1.00 0.00 N ATOM 929 CA CYS A 58 -4.996 5.711 -0.858 1.00 0.00 C ATOM 930 C CYS A 58 -5.647 7.067 -0.601 1.00 0.00 C ATOM 931 O CYS A 58 -6.503 7.198 0.272 1.00 0.00 O ATOM 932 CB CYS A 58 -3.653 5.623 -0.136 1.00 0.00 C ATOM 933 SG CYS A 58 -2.807 4.038 -0.344 1.00 0.00 S ATOM 0 H CYS A 58 -3.848 5.427 -2.589 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.652 4.932 -0.469 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.004 6.420 -0.500 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.812 5.801 0.928 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.293 3.974 -1.536 1.00 0.00 H new ATOM 939 N ARG A 59 -5.252 8.071 -1.378 1.00 0.00 N ATOM 940 CA ARG A 59 -5.820 9.405 -1.238 1.00 0.00 C ATOM 941 C ARG A 59 -7.284 9.421 -1.657 1.00 0.00 C ATOM 942 O ARG A 59 -8.107 10.083 -1.030 1.00 0.00 O ATOM 943 CB ARG A 59 -5.025 10.428 -2.047 1.00 0.00 C ATOM 944 CG ARG A 59 -3.679 10.763 -1.431 1.00 0.00 C ATOM 945 CD ARG A 59 -3.083 12.027 -2.032 1.00 0.00 C ATOM 946 NE ARG A 59 -4.019 13.155 -1.981 1.00 0.00 N ATOM 947 CZ ARG A 59 -4.437 13.746 -0.857 1.00 0.00 C ATOM 948 NH1 ARG A 59 -3.980 13.349 0.327 1.00 0.00 N ATOM 949 NH2 ARG A 59 -5.305 14.746 -0.924 1.00 0.00 N ATOM 0 H ARG A 59 -4.544 7.986 -2.107 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.760 9.680 -0.185 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.870 10.043 -3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.612 11.342 -2.141 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.793 10.891 -0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.993 9.930 -1.582 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.171 12.288 -1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.800 11.837 -3.067 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.377 13.514 -2.866 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.304 12.587 0.383 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.305 13.806 1.179 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.651 15.061 -1.830 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.627 15.200 -0.069 1.00 0.00 H new ATOM 963 N ALA A 60 -7.608 8.676 -2.710 1.00 0.00 N ATOM 964 CA ALA A 60 -8.991 8.551 -3.158 1.00 0.00 C ATOM 965 C ALA A 60 -9.853 7.923 -2.067 1.00 0.00 C ATOM 966 O ALA A 60 -11.025 8.270 -1.901 1.00 0.00 O ATOM 967 CB ALA A 60 -9.063 7.728 -4.437 1.00 0.00 C ATOM 0 H ALA A 60 -6.934 8.151 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.377 9.548 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.101 7.644 -4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.480 8.217 -5.218 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.659 6.733 -4.252 1.00 0.00 H new ATOM 973 N SER A 61 -9.258 7.013 -1.313 1.00 0.00 N ATOM 974 CA SER A 61 -9.944 6.370 -0.203 1.00 0.00 C ATOM 975 C SER A 61 -10.198 7.375 0.921 1.00 0.00 C ATOM 976 O SER A 61 -11.258 7.374 1.545 1.00 0.00 O ATOM 977 CB SER A 61 -9.120 5.188 0.306 1.00 0.00 C ATOM 978 OG SER A 61 -8.808 4.293 -0.753 1.00 0.00 O ATOM 0 H SER A 61 -8.296 6.701 -1.450 1.00 0.00 H new ATOM 0 HA SER A 61 -10.908 5.998 -0.551 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.200 5.551 0.763 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.675 4.660 1.082 1.00 0.00 H new ATOM 0 HG SER A 61 -8.168 4.717 -1.362 1.00 0.00 H new ATOM 984 N LEU A 62 -9.232 8.263 1.139 1.00 0.00 N ATOM 985 CA LEU A 62 -9.337 9.285 2.179 1.00 0.00 C ATOM 986 C LEU A 62 -10.331 10.375 1.780 1.00 0.00 C ATOM 987 O LEU A 62 -10.638 11.272 2.566 1.00 0.00 O ATOM 988 CB LEU A 62 -7.964 9.909 2.447 1.00 0.00 C ATOM 989 CG LEU A 62 -6.877 8.933 2.907 1.00 0.00 C ATOM 990 CD1 LEU A 62 -5.545 9.650 3.057 1.00 0.00 C ATOM 991 CD2 LEU A 62 -7.274 8.271 4.219 1.00 0.00 C ATOM 0 H LEU A 62 -8.363 8.296 0.607 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.699 8.805 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.624 10.402 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.078 10.684 3.205 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.769 8.158 2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.785 8.941 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.253 10.079 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.641 10.446 3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.490 7.581 4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.411 9.034 4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.206 7.723 4.083 1.00 0.00 H new ATOM 1003 N MET A 63 -10.816 10.304 0.546 1.00 0.00 N ATOM 1004 CA MET A 63 -11.803 11.256 0.053 1.00 0.00 C ATOM 1005 C MET A 63 -13.206 10.670 0.131 1.00 0.00 C ATOM 1006 O MET A 63 -14.196 11.402 0.130 1.00 0.00 O ATOM 1007 CB MET A 63 -11.501 11.648 -1.394 1.00 0.00 C ATOM 1008 CG MET A 63 -10.181 12.373 -1.577 1.00 0.00 C ATOM 1009 SD MET A 63 -9.844 12.753 -3.308 1.00 0.00 S ATOM 1010 CE MET A 63 -8.250 13.556 -3.170 1.00 0.00 C ATOM 0 H MET A 63 -10.540 9.595 -0.133 1.00 0.00 H new ATOM 0 HA MET A 63 -11.750 12.143 0.684 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.497 10.748 -2.010 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.306 12.283 -1.763 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.194 13.298 -1.000 1.00 0.00 H new ATOM 0 HG3 MET A 63 -9.373 11.759 -1.178 1.00 0.00 H new ATOM 0 HE1 MET A 63 -7.905 13.852 -4.161 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.341 14.440 -2.539 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.532 12.866 -2.727 1.00 0.00 H new ATOM 1020 N GLY A 64 -13.289 9.347 0.199 1.00 0.00 N ATOM 1021 CA GLY A 64 -14.578 8.683 0.177 1.00 0.00 C ATOM 1022 C GLY A 64 -14.909 8.137 -1.198 1.00 0.00 C ATOM 1023 O GLY A 64 -16.007 7.631 -1.428 1.00 0.00 O ATOM 0 H GLY A 64 -12.486 8.722 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.579 7.868 0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -15.353 9.385 0.485 1.00 0.00 H new ATOM 1027 N ASP A 65 -13.956 8.247 -2.116 1.00 0.00 N ATOM 1028 CA ASP A 65 -14.126 7.713 -3.464 1.00 0.00 C ATOM 1029 C ASP A 65 -13.909 6.208 -3.444 1.00 0.00 C ATOM 1030 O ASP A 65 -14.526 5.460 -4.204 1.00 0.00 O ATOM 1031 CB ASP A 65 -13.151 8.383 -4.438 1.00 0.00 C ATOM 1032 CG ASP A 65 -13.263 7.838 -5.851 1.00 0.00 C ATOM 1033 OD1 ASP A 65 -14.286 8.106 -6.517 1.00 0.00 O ATOM 1034 OD2 ASP A 65 -12.323 7.155 -6.308 1.00 0.00 O ATOM 0 H ASP A 65 -13.057 8.701 -1.953 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.140 7.924 -3.805 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -13.339 9.457 -4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.132 8.242 -4.079 1.00 0.00 H new ATOM 1039 N VAL A 66 -13.030 5.774 -2.558 1.00 0.00 N ATOM 1040 CA VAL A 66 -12.782 4.359 -2.348 1.00 0.00 C ATOM 1041 C VAL A 66 -12.965 4.029 -0.871 1.00 0.00 C ATOM 1042 O VAL A 66 -12.452 4.735 -0.008 1.00 0.00 O ATOM 1043 CB VAL A 66 -11.356 3.954 -2.794 1.00 0.00 C ATOM 1044 CG1 VAL A 66 -11.133 2.458 -2.630 1.00 0.00 C ATOM 1045 CG2 VAL A 66 -11.095 4.375 -4.232 1.00 0.00 C ATOM 0 H VAL A 66 -12.471 6.389 -1.967 1.00 0.00 H new ATOM 0 HA VAL A 66 -13.494 3.798 -2.954 1.00 0.00 H new ATOM 0 HB VAL A 66 -10.649 4.476 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.123 2.203 -2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -11.261 2.184 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -11.855 1.914 -3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.086 4.079 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -11.817 3.891 -4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -11.194 5.457 -4.318 1.00 0.00 H new ATOM 1055 N ALA A 67 -13.715 2.974 -0.584 1.00 0.00 N ATOM 1056 CA ALA A 67 -13.938 2.552 0.794 1.00 0.00 C ATOM 1057 C ALA A 67 -12.692 1.877 1.353 1.00 0.00 C ATOM 1058 O ALA A 67 -12.418 1.933 2.550 1.00 0.00 O ATOM 1059 CB ALA A 67 -15.133 1.616 0.878 1.00 0.00 C ATOM 0 H ALA A 67 -14.179 2.395 -1.284 1.00 0.00 H new ATOM 0 HA ALA A 67 -14.150 3.436 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -15.284 1.311 1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -16.024 2.130 0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -14.949 0.735 0.264 1.00 0.00 H new ATOM 1065 N GLY A 68 -11.946 1.228 0.470 1.00 0.00 N ATOM 1066 CA GLY A 68 -10.711 0.588 0.868 1.00 0.00 C ATOM 1067 C GLY A 68 -10.580 -0.796 0.276 1.00 0.00 C ATOM 1068 O GLY A 68 -9.475 -1.304 0.092 1.00 0.00 O ATOM 0 H GLY A 68 -12.177 1.134 -0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.866 1.200 0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -10.669 0.524 1.955 1.00 0.00 H new ATOM 1072 N GLU A 69 -11.714 -1.396 -0.036 1.00 0.00 N ATOM 1073 CA GLU A 69 -11.755 -2.732 -0.615 1.00 0.00 C ATOM 1074 C GLU A 69 -11.101 -2.755 -1.993 1.00 0.00 C ATOM 1075 O GLU A 69 -10.264 -3.613 -2.280 1.00 0.00 O ATOM 1076 CB GLU A 69 -13.203 -3.241 -0.689 1.00 0.00 C ATOM 1077 CG GLU A 69 -14.270 -2.157 -0.529 1.00 0.00 C ATOM 1078 CD GLU A 69 -14.327 -1.181 -1.690 1.00 0.00 C ATOM 1079 OE1 GLU A 69 -13.482 -0.257 -1.744 1.00 0.00 O ATOM 1080 OE2 GLU A 69 -15.222 -1.319 -2.543 1.00 0.00 O ATOM 0 H GLU A 69 -12.632 -0.974 0.103 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.187 -3.400 0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.350 -3.738 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.349 -3.993 0.086 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.244 -2.632 -0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.078 -1.604 0.390 1.00 0.00 H new ATOM 1087 N ILE A 70 -11.473 -1.799 -2.836 1.00 0.00 N ATOM 1088 CA ILE A 70 -10.880 -1.680 -4.163 1.00 0.00 C ATOM 1089 C ILE A 70 -9.405 -1.309 -4.043 1.00 0.00 C ATOM 1090 O ILE A 70 -8.556 -1.846 -4.755 1.00 0.00 O ATOM 1091 CB ILE A 70 -11.612 -0.619 -5.020 1.00 0.00 C ATOM 1092 CG1 ILE A 70 -13.094 -0.980 -5.160 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -10.961 -0.496 -6.393 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -13.905 0.058 -5.911 1.00 0.00 C ATOM 0 H ILE A 70 -12.181 -1.096 -2.625 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.979 -2.646 -4.659 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.534 0.345 -4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.179 -1.937 -5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.522 -1.114 -4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.490 0.255 -6.980 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.919 -0.198 -6.276 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.008 -1.457 -6.905 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -14.944 -0.266 -5.971 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -13.851 1.011 -5.386 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -13.503 0.175 -6.917 1.00 0.00 H new ATOM 1106 N ALA A 71 -9.113 -0.412 -3.108 1.00 0.00 N ATOM 1107 CA ALA A 71 -7.753 0.058 -2.880 1.00 0.00 C ATOM 1108 C ALA A 71 -6.850 -1.083 -2.430 1.00 0.00 C ATOM 1109 O ALA A 71 -5.699 -1.167 -2.845 1.00 0.00 O ATOM 1110 CB ALA A 71 -7.744 1.180 -1.852 1.00 0.00 C ATOM 0 H ALA A 71 -9.808 0.007 -2.490 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.366 0.445 -3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.721 1.520 -1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.350 2.010 -2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.155 0.815 -0.911 1.00 0.00 H new ATOM 1116 N ARG A 72 -7.382 -1.967 -1.593 1.00 0.00 N ATOM 1117 CA ARG A 72 -6.624 -3.116 -1.111 1.00 0.00 C ATOM 1118 C ARG A 72 -6.228 -4.021 -2.272 1.00 0.00 C ATOM 1119 O ARG A 72 -5.067 -4.404 -2.409 1.00 0.00 O ATOM 1120 CB ARG A 72 -7.452 -3.911 -0.101 1.00 0.00 C ATOM 1121 CG ARG A 72 -6.759 -5.168 0.403 1.00 0.00 C ATOM 1122 CD ARG A 72 -7.728 -6.060 1.159 1.00 0.00 C ATOM 1123 NE ARG A 72 -8.872 -6.435 0.327 1.00 0.00 N ATOM 1124 CZ ARG A 72 -10.127 -6.479 0.764 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -10.397 -6.200 2.034 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -11.108 -6.797 -0.074 1.00 0.00 N ATOM 0 H ARG A 72 -8.335 -1.910 -1.234 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.720 -2.749 -0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.686 -3.270 0.749 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.400 -4.189 -0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.336 -5.716 -0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.929 -4.893 1.054 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.211 -6.959 1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.080 -5.543 2.052 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.696 -6.678 -0.648 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.642 -5.952 2.673 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.359 -6.234 2.370 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.897 -7.007 -1.050 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.072 -6.832 0.259 1.00 0.00 H new ATOM 1140 N THR A 73 -7.205 -4.348 -3.106 1.00 0.00 N ATOM 1141 CA THR A 73 -6.982 -5.213 -4.253 1.00 0.00 C ATOM 1142 C THR A 73 -5.975 -4.586 -5.219 1.00 0.00 C ATOM 1143 O THR A 73 -5.082 -5.265 -5.733 1.00 0.00 O ATOM 1144 CB THR A 73 -8.312 -5.486 -4.982 1.00 0.00 C ATOM 1145 OG1 THR A 73 -9.306 -5.889 -4.027 1.00 0.00 O ATOM 1146 CG2 THR A 73 -8.147 -6.571 -6.036 1.00 0.00 C ATOM 0 H THR A 73 -8.167 -4.024 -3.007 1.00 0.00 H new ATOM 0 HA THR A 73 -6.573 -6.157 -3.893 1.00 0.00 H new ATOM 0 HB THR A 73 -8.626 -4.570 -5.482 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.692 -5.095 -3.601 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.101 -6.743 -6.534 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.406 -6.255 -6.770 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.815 -7.494 -5.560 1.00 0.00 H new ATOM 1154 N ALA A 74 -6.110 -3.284 -5.440 1.00 0.00 N ATOM 1155 CA ALA A 74 -5.208 -2.560 -6.325 1.00 0.00 C ATOM 1156 C ALA A 74 -3.813 -2.444 -5.709 1.00 0.00 C ATOM 1157 O ALA A 74 -2.806 -2.494 -6.414 1.00 0.00 O ATOM 1158 CB ALA A 74 -5.772 -1.183 -6.640 1.00 0.00 C ATOM 0 H ALA A 74 -6.837 -2.707 -5.017 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.118 -3.121 -7.255 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.088 -0.652 -7.302 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.741 -1.290 -7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.892 -0.619 -5.715 1.00 0.00 H new ATOM 1164 N PHE A 75 -3.767 -2.301 -4.388 1.00 0.00 N ATOM 1165 CA PHE A 75 -2.505 -2.214 -3.663 1.00 0.00 C ATOM 1166 C PHE A 75 -1.712 -3.504 -3.824 1.00 0.00 C ATOM 1167 O PHE A 75 -0.509 -3.476 -4.069 1.00 0.00 O ATOM 1168 CB PHE A 75 -2.761 -1.929 -2.178 1.00 0.00 C ATOM 1169 CG PHE A 75 -1.513 -1.698 -1.378 1.00 0.00 C ATOM 1170 CD1 PHE A 75 -0.869 -0.474 -1.421 1.00 0.00 C ATOM 1171 CD2 PHE A 75 -0.988 -2.699 -0.577 1.00 0.00 C ATOM 1172 CE1 PHE A 75 0.276 -0.252 -0.684 1.00 0.00 C ATOM 1173 CE2 PHE A 75 0.159 -2.484 0.162 1.00 0.00 C ATOM 1174 CZ PHE A 75 0.792 -1.258 0.109 1.00 0.00 C ATOM 0 H PHE A 75 -4.595 -2.243 -3.795 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.922 -1.393 -4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.403 -1.052 -2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.307 -2.768 -1.746 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.267 0.317 -2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.481 -3.659 -0.530 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.769 0.708 -0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.560 -3.274 0.780 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.688 -1.086 0.686 1.00 0.00 H new ATOM 1184 N VAL A 76 -2.400 -4.635 -3.700 1.00 0.00 N ATOM 1185 CA VAL A 76 -1.771 -5.936 -3.895 1.00 0.00 C ATOM 1186 C VAL A 76 -1.261 -6.062 -5.329 1.00 0.00 C ATOM 1187 O VAL A 76 -0.168 -6.575 -5.571 1.00 0.00 O ATOM 1188 CB VAL A 76 -2.749 -7.093 -3.585 1.00 0.00 C ATOM 1189 CG1 VAL A 76 -2.106 -8.446 -3.862 1.00 0.00 C ATOM 1190 CG2 VAL A 76 -3.220 -7.014 -2.140 1.00 0.00 C ATOM 0 H VAL A 76 -3.392 -4.676 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.933 -6.007 -3.201 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.612 -6.991 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.817 -9.240 -3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.820 -8.505 -4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.220 -8.563 -3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.908 -7.835 -1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.361 -7.086 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.729 -6.064 -1.975 1.00 0.00 H new ATOM 1200 N ALA A 77 -2.051 -5.561 -6.273 1.00 0.00 N ATOM 1201 CA ALA A 77 -1.675 -5.581 -7.681 1.00 0.00 C ATOM 1202 C ALA A 77 -0.413 -4.753 -7.922 1.00 0.00 C ATOM 1203 O ALA A 77 0.443 -5.130 -8.724 1.00 0.00 O ATOM 1204 CB ALA A 77 -2.825 -5.072 -8.542 1.00 0.00 C ATOM 0 H ALA A 77 -2.959 -5.135 -6.087 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.459 -6.611 -7.963 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.531 -5.092 -9.591 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.697 -5.709 -8.398 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.071 -4.050 -8.254 1.00 0.00 H new ATOM 1210 N ALA A 78 -0.296 -3.638 -7.215 1.00 0.00 N ATOM 1211 CA ALA A 78 0.881 -2.783 -7.320 1.00 0.00 C ATOM 1212 C ALA A 78 2.076 -3.414 -6.613 1.00 0.00 C ATOM 1213 O ALA A 78 3.216 -3.294 -7.067 1.00 0.00 O ATOM 1214 CB ALA A 78 0.591 -1.404 -6.744 1.00 0.00 C ATOM 0 H ALA A 78 -1.003 -3.302 -6.561 1.00 0.00 H new ATOM 0 HA ALA A 78 1.128 -2.674 -8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.480 -0.779 -6.831 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.230 -0.945 -7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.315 -1.499 -5.694 1.00 0.00 H new ATOM 1220 N SER A 79 1.808 -4.103 -5.509 1.00 0.00 N ATOM 1221 CA SER A 79 2.858 -4.762 -4.742 1.00 0.00 C ATOM 1222 C SER A 79 3.469 -5.907 -5.554 1.00 0.00 C ATOM 1223 O SER A 79 4.594 -6.342 -5.295 1.00 0.00 O ATOM 1224 CB SER A 79 2.298 -5.284 -3.414 1.00 0.00 C ATOM 1225 OG SER A 79 3.324 -5.434 -2.449 1.00 0.00 O ATOM 0 H SER A 79 0.870 -4.220 -5.125 1.00 0.00 H new ATOM 0 HA SER A 79 3.641 -4.036 -4.525 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.541 -4.595 -3.040 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.805 -6.242 -3.576 1.00 0.00 H new ATOM 0 HG SER A 79 3.806 -6.272 -2.612 1.00 0.00 H new ATOM 1231 N ARG A 80 2.722 -6.385 -6.549 1.00 0.00 N ATOM 1232 CA ARG A 80 3.226 -7.395 -7.473 1.00 0.00 C ATOM 1233 C ARG A 80 4.414 -6.845 -8.251 1.00 0.00 C ATOM 1234 O ARG A 80 5.373 -7.562 -8.533 1.00 0.00 O ATOM 1235 CB ARG A 80 2.133 -7.834 -8.452 1.00 0.00 C ATOM 1236 CG ARG A 80 0.977 -8.569 -7.800 1.00 0.00 C ATOM 1237 CD ARG A 80 -0.080 -8.952 -8.820 1.00 0.00 C ATOM 1238 NE ARG A 80 -1.156 -9.746 -8.226 1.00 0.00 N ATOM 1239 CZ ARG A 80 -2.428 -9.700 -8.615 1.00 0.00 C ATOM 1240 NH1 ARG A 80 -2.802 -8.876 -9.591 1.00 0.00 N ATOM 1241 NH2 ARG A 80 -3.325 -10.480 -8.023 1.00 0.00 N ATOM 0 H ARG A 80 1.764 -6.087 -6.734 1.00 0.00 H new ATOM 0 HA ARG A 80 3.541 -8.260 -6.890 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.746 -6.954 -8.967 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.577 -8.478 -9.211 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.348 -9.466 -7.303 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.531 -7.939 -7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.499 -8.049 -9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.384 -9.518 -9.628 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.915 -10.377 -7.462 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.113 -8.276 -10.044 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.778 -8.844 -9.886 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.038 -11.110 -7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -4.301 -10.449 -8.317 1.00 0.00 H new ATOM 1255 N GLN A 81 4.352 -5.561 -8.579 1.00 0.00 N ATOM 1256 CA GLN A 81 5.415 -4.910 -9.329 1.00 0.00 C ATOM 1257 C GLN A 81 6.636 -4.703 -8.437 1.00 0.00 C ATOM 1258 O GLN A 81 7.770 -4.667 -8.916 1.00 0.00 O ATOM 1259 CB GLN A 81 4.928 -3.571 -9.891 1.00 0.00 C ATOM 1260 CG GLN A 81 5.897 -2.928 -10.870 1.00 0.00 C ATOM 1261 CD GLN A 81 6.135 -3.785 -12.099 1.00 0.00 C ATOM 1262 OE1 GLN A 81 5.423 -3.675 -13.097 1.00 0.00 O ATOM 1263 NE2 GLN A 81 7.136 -4.648 -12.033 1.00 0.00 N ATOM 0 H GLN A 81 3.573 -4.949 -8.336 1.00 0.00 H new ATOM 0 HA GLN A 81 5.698 -5.551 -10.164 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.970 -3.723 -10.389 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.751 -2.883 -9.064 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.507 -1.958 -11.178 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.847 -2.745 -10.369 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.703 -4.708 -11.187 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.341 -5.253 -12.828 1.00 0.00 H new ATOM 1272 N ALA A 82 6.393 -4.591 -7.135 1.00 0.00 N ATOM 1273 CA ALA A 82 7.463 -4.424 -6.160 1.00 0.00 C ATOM 1274 C ALA A 82 8.095 -5.768 -5.810 1.00 0.00 C ATOM 1275 O ALA A 82 9.098 -5.826 -5.097 1.00 0.00 O ATOM 1276 CB ALA A 82 6.932 -3.743 -4.906 1.00 0.00 C ATOM 0 H ALA A 82 5.457 -4.613 -6.729 1.00 0.00 H new ATOM 0 HA ALA A 82 8.234 -3.793 -6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.742 -3.624 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.531 -2.763 -5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.143 -4.353 -4.467 1.00 0.00 H new ATOM 1282 N HIS A 83 7.496 -6.843 -6.331 1.00 0.00 N ATOM 1283 CA HIS A 83 7.990 -8.210 -6.126 1.00 0.00 C ATOM 1284 C HIS A 83 7.887 -8.609 -4.657 1.00 0.00 C ATOM 1285 O HIS A 83 8.796 -9.232 -4.106 1.00 0.00 O ATOM 1286 CB HIS A 83 9.446 -8.361 -6.596 1.00 0.00 C ATOM 1287 CG HIS A 83 9.687 -7.962 -8.020 1.00 0.00 C ATOM 1288 ND1 HIS A 83 9.264 -8.705 -9.099 1.00 0.00 N ATOM 1289 CD2 HIS A 83 10.330 -6.889 -8.538 1.00 0.00 C ATOM 1290 CE1 HIS A 83 9.636 -8.109 -10.214 1.00 0.00 C ATOM 1291 NE2 HIS A 83 10.287 -7.002 -9.906 1.00 0.00 N ATOM 0 H HIS A 83 6.655 -6.791 -6.907 1.00 0.00 H new ATOM 0 HA HIS A 83 7.362 -8.871 -6.724 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.086 -7.760 -5.951 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.749 -9.400 -6.467 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.792 -6.090 -7.978 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.441 -8.467 -11.214 1.00 0.00 H new ATOM 0 HE2 HIS A 83 10.690 -6.342 -10.572 1.00 0.00 H new ATOM 1300 N CYS A 84 6.772 -8.265 -4.029 1.00 0.00 N ATOM 1301 CA CYS A 84 6.565 -8.571 -2.625 1.00 0.00 C ATOM 1302 C CYS A 84 5.089 -8.820 -2.363 1.00 0.00 C ATOM 1303 O CYS A 84 4.314 -7.888 -2.150 1.00 0.00 O ATOM 1304 CB CYS A 84 7.081 -7.429 -1.741 1.00 0.00 C ATOM 1305 SG CYS A 84 6.988 -7.761 0.037 1.00 0.00 S ATOM 0 H CYS A 84 5.996 -7.773 -4.473 1.00 0.00 H new ATOM 0 HA CYS A 84 7.125 -9.472 -2.377 1.00 0.00 H new ATOM 0 HB2 CYS A 84 8.118 -7.220 -2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 84 6.508 -6.528 -1.961 1.00 0.00 H new ATOM 0 HG CYS A 84 7.449 -6.738 0.694 1.00 0.00 H new ATOM 1311 N LEU A 85 4.693 -10.076 -2.440 1.00 0.00 N ATOM 1312 CA LEU A 85 3.317 -10.451 -2.175 1.00 0.00 C ATOM 1313 C LEU A 85 3.197 -11.310 -0.928 1.00 0.00 C ATOM 1314 O LEU A 85 3.870 -12.332 -0.791 1.00 0.00 O ATOM 1315 CB LEU A 85 2.723 -11.197 -3.365 1.00 0.00 C ATOM 1316 CG LEU A 85 2.532 -10.358 -4.623 1.00 0.00 C ATOM 1317 CD1 LEU A 85 1.999 -11.221 -5.748 1.00 0.00 C ATOM 1318 CD2 LEU A 85 1.592 -9.197 -4.347 1.00 0.00 C ATOM 0 H LEU A 85 5.305 -10.855 -2.684 1.00 0.00 H new ATOM 0 HA LEU A 85 2.761 -9.528 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.370 -12.041 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.757 -11.608 -3.071 1.00 0.00 H new ATOM 0 HG LEU A 85 3.497 -9.952 -4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.866 -10.612 -6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.706 -12.023 -5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.040 -11.649 -5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.466 -8.607 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.624 -9.581 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.011 -8.568 -3.561 1.00 0.00 H new ATOM 1330 N MET A 86 2.339 -10.873 -0.025 1.00 0.00 N ATOM 1331 CA MET A 86 1.982 -11.649 1.151 1.00 0.00 C ATOM 1332 C MET A 86 0.469 -11.769 1.232 1.00 0.00 C ATOM 1333 O MET A 86 -0.246 -10.783 1.049 1.00 0.00 O ATOM 1334 CB MET A 86 2.525 -11.008 2.433 1.00 0.00 C ATOM 1335 CG MET A 86 4.023 -11.181 2.626 1.00 0.00 C ATOM 1336 SD MET A 86 4.505 -12.907 2.852 1.00 0.00 S ATOM 1337 CE MET A 86 3.605 -13.323 4.347 1.00 0.00 C ATOM 0 H MET A 86 1.869 -9.970 -0.085 1.00 0.00 H new ATOM 0 HA MET A 86 2.430 -12.638 1.060 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.291 -9.943 2.421 1.00 0.00 H new ATOM 0 HB3 MET A 86 2.007 -11.439 3.290 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.546 -10.773 1.761 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.342 -10.603 3.493 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.065 -14.191 4.819 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.632 -12.478 5.035 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.570 -13.553 4.096 1.00 0.00 H new