USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 424 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 36 ASN : amide:sc= -0.487 K(o=-0.6,f=-19!) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 20 THR OG1 : rot -55:sc= -2.42! USER MOD Single : A 23 CYS SG : rot 44:sc= -1.05 USER MOD Single : A 27 THR OG1 : rot -19:sc= 0.203 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.351 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 14:sc= 0.852 USER MOD Single : A 43 MET CE :methyl -159:sc= -0.86 (180deg=-2.92!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0.51 K(o=0.51,f=-0.49) USER MOD Single : A 65 HIS : no HD1:sc= -2.82! C(o=-2.8!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 11 -5.951 -10.334 -6.631 1.00 0.00 N ATOM 121 CA PRO A 11 -6.931 -9.970 -5.603 1.00 0.00 C ATOM 122 C PRO A 11 -8.120 -10.924 -5.572 1.00 0.00 C ATOM 123 O PRO A 11 -8.425 -11.586 -6.564 1.00 0.00 O ATOM 124 CB PRO A 11 -7.381 -8.568 -6.023 1.00 0.00 C ATOM 125 CG PRO A 11 -7.139 -8.517 -7.492 1.00 0.00 C ATOM 126 CD PRO A 11 -5.925 -9.369 -7.742 1.00 0.00 C ATOM 0 HA PRO A 11 -6.506 -10.014 -4.600 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.433 -8.403 -5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.814 -7.797 -5.501 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.001 -8.894 -8.043 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.972 -7.493 -7.825 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.977 -9.869 -8.709 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.010 -8.776 -7.738 1.00 0.00 H new ATOM 134 N VAL A 12 -8.790 -10.990 -4.426 1.00 0.00 N ATOM 135 CA VAL A 12 -9.948 -11.862 -4.266 1.00 0.00 C ATOM 136 C VAL A 12 -11.243 -11.116 -4.563 1.00 0.00 C ATOM 137 O VAL A 12 -12.189 -11.686 -5.106 1.00 0.00 O ATOM 138 CB VAL A 12 -10.019 -12.445 -2.842 1.00 0.00 C ATOM 139 CG1 VAL A 12 -8.821 -13.341 -2.570 1.00 0.00 C ATOM 140 CG2 VAL A 12 -10.103 -11.327 -1.813 1.00 0.00 C ATOM 0 H VAL A 12 -8.551 -10.450 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.831 -12.678 -4.979 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.921 -13.052 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.889 -13.743 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.810 -14.162 -3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.903 -12.761 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.152 -11.756 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.220 -10.692 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.996 -10.730 -1.996 1.00 0.00 H new ATOM 150 N ALA A 13 -11.279 -9.837 -4.204 1.00 0.00 N ATOM 151 CA ALA A 13 -12.458 -9.011 -4.435 1.00 0.00 C ATOM 152 C ALA A 13 -12.079 -7.540 -4.573 1.00 0.00 C ATOM 153 O ALA A 13 -11.056 -7.099 -4.047 1.00 0.00 O ATOM 154 CB ALA A 13 -13.461 -9.196 -3.307 1.00 0.00 C ATOM 0 H ALA A 13 -10.505 -9.350 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.917 -9.330 -5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.336 -8.573 -3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.764 -10.242 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.003 -8.905 -2.362 1.00 0.00 H new ATOM 160 N THR A 14 -12.910 -6.784 -5.284 1.00 0.00 N ATOM 161 CA THR A 14 -12.661 -5.363 -5.492 1.00 0.00 C ATOM 162 C THR A 14 -13.964 -4.571 -5.488 1.00 0.00 C ATOM 163 O THR A 14 -14.949 -4.974 -6.106 1.00 0.00 O ATOM 164 CB THR A 14 -11.925 -5.111 -6.821 1.00 0.00 C ATOM 165 OG1 THR A 14 -10.782 -5.968 -6.918 1.00 0.00 O ATOM 166 CG2 THR A 14 -11.486 -3.658 -6.929 1.00 0.00 C ATOM 0 H THR A 14 -13.761 -7.132 -5.725 1.00 0.00 H new ATOM 0 HA THR A 14 -12.032 -5.028 -4.667 1.00 0.00 H new ATOM 0 HB THR A 14 -12.612 -5.329 -7.639 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.320 -5.803 -7.766 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.968 -3.504 -7.876 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.361 -3.009 -6.884 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.814 -3.419 -6.105 1.00 0.00 H new ATOM 174 N ALA A 15 -13.961 -3.441 -4.788 1.00 0.00 N ATOM 175 CA ALA A 15 -15.142 -2.591 -4.706 1.00 0.00 C ATOM 176 C ALA A 15 -14.756 -1.115 -4.687 1.00 0.00 C ATOM 177 O ALA A 15 -13.929 -0.676 -3.888 1.00 0.00 O ATOM 178 CB ALA A 15 -15.960 -2.941 -3.472 1.00 0.00 C ATOM 0 H ALA A 15 -13.154 -3.093 -4.270 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.750 -2.769 -5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.839 -2.298 -3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.275 -3.983 -3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.353 -2.793 -2.579 1.00 0.00 H new ATOM 184 N PRO A 16 -15.368 -0.331 -5.587 1.00 0.00 N ATOM 185 CA PRO A 16 -15.103 1.107 -5.692 1.00 0.00 C ATOM 186 C PRO A 16 -15.646 1.886 -4.499 1.00 0.00 C ATOM 187 O PRO A 16 -16.825 1.779 -4.161 1.00 0.00 O ATOM 188 CB PRO A 16 -15.839 1.510 -6.973 1.00 0.00 C ATOM 189 CG PRO A 16 -16.920 0.496 -7.123 1.00 0.00 C ATOM 190 CD PRO A 16 -16.365 -0.787 -6.569 1.00 0.00 C ATOM 0 HA PRO A 16 -14.035 1.324 -5.710 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.249 2.517 -6.894 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.169 1.505 -7.833 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.817 0.799 -6.582 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.203 0.379 -8.169 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.142 -1.392 -6.102 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.911 -1.398 -7.349 1.00 0.00 H new ATOM 198 N ILE A 17 -14.779 2.668 -3.865 1.00 0.00 N ATOM 199 CA ILE A 17 -15.173 3.466 -2.710 1.00 0.00 C ATOM 200 C ILE A 17 -16.008 4.670 -3.133 1.00 0.00 C ATOM 201 O ILE A 17 -15.714 5.344 -4.120 1.00 0.00 O ATOM 202 CB ILE A 17 -13.946 3.958 -1.921 1.00 0.00 C ATOM 203 CG1 ILE A 17 -13.137 2.768 -1.401 1.00 0.00 C ATOM 204 CG2 ILE A 17 -14.381 4.853 -0.770 1.00 0.00 C ATOM 205 CD1 ILE A 17 -12.171 3.131 -0.294 1.00 0.00 C ATOM 0 H ILE A 17 -13.799 2.766 -4.131 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.771 2.819 -2.069 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.312 4.541 -2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.824 2.004 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.580 2.328 -2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.503 5.193 -0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -14.920 5.715 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.033 4.293 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.632 2.239 0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.461 3.873 -0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.724 3.543 0.550 1.00 0.00 H new ATOM 217 N PRO A 18 -17.073 4.950 -2.368 1.00 0.00 N ATOM 218 CA PRO A 18 -17.971 6.076 -2.641 1.00 0.00 C ATOM 219 C PRO A 18 -17.307 7.423 -2.381 1.00 0.00 C ATOM 220 O PRO A 18 -16.631 7.608 -1.370 1.00 0.00 O ATOM 221 CB PRO A 18 -19.129 5.852 -1.665 1.00 0.00 C ATOM 222 CG PRO A 18 -18.536 5.061 -0.550 1.00 0.00 C ATOM 223 CD PRO A 18 -17.483 4.189 -1.175 1.00 0.00 C ATOM 0 HA PRO A 18 -18.278 6.108 -3.686 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.534 6.799 -1.307 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -19.949 5.314 -2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.102 5.716 0.205 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -19.296 4.459 -0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.646 4.022 -0.498 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.879 3.209 -1.440 1.00 0.00 H new ATOM 231 N GLY A 19 -17.506 8.364 -3.300 1.00 0.00 N ATOM 232 CA GLY A 19 -16.920 9.683 -3.150 1.00 0.00 C ATOM 233 C GLY A 19 -15.498 9.748 -3.670 1.00 0.00 C ATOM 234 O GLY A 19 -15.163 10.613 -4.479 1.00 0.00 O ATOM 0 H GLY A 19 -18.062 8.236 -4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.532 10.412 -3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.932 9.965 -2.097 1.00 0.00 H new ATOM 238 N THR A 20 -14.656 8.831 -3.202 1.00 0.00 N ATOM 239 CA THR A 20 -13.261 8.789 -3.623 1.00 0.00 C ATOM 240 C THR A 20 -13.056 7.781 -4.747 1.00 0.00 C ATOM 241 O THR A 20 -13.711 6.741 -4.808 1.00 0.00 O ATOM 242 CB THR A 20 -12.331 8.429 -2.449 1.00 0.00 C ATOM 243 OG1 THR A 20 -12.165 7.009 -2.374 1.00 0.00 O ATOM 244 CG2 THR A 20 -12.893 8.949 -1.134 1.00 0.00 C ATOM 0 H THR A 20 -14.916 8.108 -2.531 1.00 0.00 H new ATOM 0 HA THR A 20 -13.009 9.786 -3.984 1.00 0.00 H new ATOM 0 HB THR A 20 -11.363 8.899 -2.623 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.044 6.580 -2.314 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.219 8.683 -0.320 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.991 10.033 -1.184 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.872 8.504 -0.955 1.00 0.00 H new ATOM 252 N PRO A 21 -12.124 8.093 -5.660 1.00 0.00 N ATOM 253 CA PRO A 21 -11.809 7.225 -6.799 1.00 0.00 C ATOM 254 C PRO A 21 -11.104 5.942 -6.373 1.00 0.00 C ATOM 255 O PRO A 21 -10.813 5.079 -7.201 1.00 0.00 O ATOM 256 CB PRO A 21 -10.880 8.088 -7.656 1.00 0.00 C ATOM 257 CG PRO A 21 -10.260 9.045 -6.697 1.00 0.00 C ATOM 258 CD PRO A 21 -11.304 9.316 -5.650 1.00 0.00 C ATOM 0 HA PRO A 21 -12.707 6.895 -7.321 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.124 7.481 -8.154 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.433 8.611 -8.436 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.360 8.622 -6.251 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.964 9.965 -7.200 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.856 9.491 -4.672 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.896 10.199 -5.892 1.00 0.00 H new ATOM 266 N TRP A 22 -10.831 5.825 -5.079 1.00 0.00 N ATOM 267 CA TRP A 22 -10.159 4.646 -4.543 1.00 0.00 C ATOM 268 C TRP A 22 -11.084 3.434 -4.568 1.00 0.00 C ATOM 269 O TRP A 22 -12.305 3.571 -4.473 1.00 0.00 O ATOM 270 CB TRP A 22 -9.683 4.910 -3.114 1.00 0.00 C ATOM 271 CG TRP A 22 -8.502 5.831 -3.042 1.00 0.00 C ATOM 272 CD1 TRP A 22 -8.530 7.189 -2.902 1.00 0.00 C ATOM 273 CD2 TRP A 22 -7.121 5.460 -3.109 1.00 0.00 C ATOM 274 NE1 TRP A 22 -7.249 7.685 -2.878 1.00 0.00 N ATOM 275 CE2 TRP A 22 -6.366 6.645 -3.003 1.00 0.00 C ATOM 276 CE3 TRP A 22 -6.448 4.243 -3.247 1.00 0.00 C ATOM 277 CZ2 TRP A 22 -4.974 6.645 -3.031 1.00 0.00 C ATOM 278 CZ3 TRP A 22 -5.067 4.245 -3.275 1.00 0.00 C ATOM 279 CH2 TRP A 22 -4.342 5.439 -3.167 1.00 0.00 C ATOM 0 H TRP A 22 -11.064 6.531 -4.381 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.295 4.434 -5.173 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.504 5.338 -2.538 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.424 3.961 -2.644 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.427 7.785 -2.822 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.996 8.669 -2.783 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.998 3.317 -3.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -4.413 7.564 -2.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.537 3.310 -3.382 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.263 5.407 -3.192 1.00 0.00 H new ATOM 290 N CYS A 23 -10.497 2.249 -4.695 1.00 0.00 N ATOM 291 CA CYS A 23 -11.270 1.013 -4.733 1.00 0.00 C ATOM 292 C CYS A 23 -10.664 -0.035 -3.804 1.00 0.00 C ATOM 293 O CYS A 23 -9.521 -0.454 -3.985 1.00 0.00 O ATOM 294 CB CYS A 23 -11.334 0.470 -6.161 1.00 0.00 C ATOM 295 SG CYS A 23 -11.998 1.642 -7.367 1.00 0.00 S ATOM 0 H CYS A 23 -9.488 2.118 -4.773 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.281 1.235 -4.392 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.332 0.175 -6.471 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.948 -0.430 -6.169 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.474 2.815 -7.166 1.00 0.00 H new ATOM 301 N VAL A 24 -11.439 -0.454 -2.808 1.00 0.00 N ATOM 302 CA VAL A 24 -10.979 -1.453 -1.851 1.00 0.00 C ATOM 303 C VAL A 24 -10.777 -2.806 -2.523 1.00 0.00 C ATOM 304 O VAL A 24 -11.731 -3.428 -2.991 1.00 0.00 O ATOM 305 CB VAL A 24 -11.974 -1.613 -0.686 1.00 0.00 C ATOM 306 CG1 VAL A 24 -11.476 -2.657 0.302 1.00 0.00 C ATOM 307 CG2 VAL A 24 -12.204 -0.278 0.006 1.00 0.00 C ATOM 0 H VAL A 24 -12.388 -0.117 -2.643 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.025 -1.100 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.927 -1.955 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.192 -2.756 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.369 -3.616 -0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.510 -2.348 0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -12.910 -0.410 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.258 0.097 0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.609 0.438 -0.709 1.00 0.00 H new ATOM 317 N VAL A 25 -9.527 -3.258 -2.566 1.00 0.00 N ATOM 318 CA VAL A 25 -9.199 -4.540 -3.179 1.00 0.00 C ATOM 319 C VAL A 25 -8.666 -5.524 -2.144 1.00 0.00 C ATOM 320 O VAL A 25 -7.638 -5.279 -1.512 1.00 0.00 O ATOM 321 CB VAL A 25 -8.156 -4.375 -4.300 1.00 0.00 C ATOM 322 CG1 VAL A 25 -7.947 -5.691 -5.033 1.00 0.00 C ATOM 323 CG2 VAL A 25 -8.580 -3.278 -5.265 1.00 0.00 C ATOM 0 H VAL A 25 -8.726 -2.756 -2.184 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.122 -4.932 -3.606 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.207 -4.084 -3.850 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.207 -5.555 -5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.594 -6.447 -4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.890 -6.016 -5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.831 -3.175 -6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.540 -3.537 -5.711 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.672 -2.335 -4.726 1.00 0.00 H new ATOM 333 N TRP A 26 -9.370 -6.637 -1.976 1.00 0.00 N ATOM 334 CA TRP A 26 -8.966 -7.659 -1.017 1.00 0.00 C ATOM 335 C TRP A 26 -8.031 -8.674 -1.665 1.00 0.00 C ATOM 336 O TRP A 26 -7.913 -8.733 -2.889 1.00 0.00 O ATOM 337 CB TRP A 26 -10.197 -8.370 -0.451 1.00 0.00 C ATOM 338 CG TRP A 26 -11.001 -7.514 0.480 1.00 0.00 C ATOM 339 CD1 TRP A 26 -10.871 -7.434 1.837 1.00 0.00 C ATOM 340 CD2 TRP A 26 -12.060 -6.620 0.123 1.00 0.00 C ATOM 341 NE1 TRP A 26 -11.786 -6.543 2.345 1.00 0.00 N ATOM 342 CE2 TRP A 26 -12.527 -6.030 1.314 1.00 0.00 C ATOM 343 CE3 TRP A 26 -12.659 -6.259 -1.087 1.00 0.00 C ATOM 344 CZ2 TRP A 26 -13.563 -5.100 1.327 1.00 0.00 C ATOM 345 CZ3 TRP A 26 -13.688 -5.337 -1.072 1.00 0.00 C ATOM 346 CH2 TRP A 26 -14.131 -4.766 0.128 1.00 0.00 C ATOM 0 H TRP A 26 -10.223 -6.855 -2.491 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.432 -7.168 -0.204 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -10.832 -8.693 -1.276 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -9.878 -9.269 0.077 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -10.155 -7.989 2.425 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -11.895 -6.303 3.330 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -12.324 -6.693 -2.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -13.906 -4.658 2.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -14.159 -5.052 -2.001 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.937 -4.048 0.106 1.00 0.00 H new ATOM 357 N THR A 27 -7.366 -9.473 -0.836 1.00 0.00 N ATOM 358 CA THR A 27 -6.440 -10.485 -1.328 1.00 0.00 C ATOM 359 C THR A 27 -6.701 -11.836 -0.672 1.00 0.00 C ATOM 360 O THR A 27 -7.532 -11.949 0.229 1.00 0.00 O ATOM 361 CB THR A 27 -4.976 -10.078 -1.074 1.00 0.00 C ATOM 362 OG1 THR A 27 -4.811 -9.667 0.288 1.00 0.00 O ATOM 363 CG2 THR A 27 -4.558 -8.950 -2.004 1.00 0.00 C ATOM 0 H THR A 27 -7.452 -9.438 0.180 1.00 0.00 H new ATOM 0 HA THR A 27 -6.605 -10.568 -2.402 1.00 0.00 H new ATOM 0 HB THR A 27 -4.342 -10.943 -1.271 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.686 -9.448 0.672 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.521 -8.680 -1.806 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.656 -9.277 -3.039 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.197 -8.083 -1.835 1.00 0.00 H new ATOM 371 N GLY A 28 -5.986 -12.859 -1.128 1.00 0.00 N ATOM 372 CA GLY A 28 -6.156 -14.189 -0.573 1.00 0.00 C ATOM 373 C GLY A 28 -5.508 -14.336 0.789 1.00 0.00 C ATOM 374 O GLY A 28 -5.860 -15.230 1.559 1.00 0.00 O ATOM 0 H GLY A 28 -5.292 -12.791 -1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.220 -14.412 -0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.728 -14.922 -1.257 1.00 0.00 H new ATOM 378 N ASP A 29 -4.558 -13.457 1.088 1.00 0.00 N ATOM 379 CA ASP A 29 -3.858 -13.492 2.368 1.00 0.00 C ATOM 380 C ASP A 29 -4.580 -12.638 3.405 1.00 0.00 C ATOM 381 O ASP A 29 -3.956 -11.850 4.116 1.00 0.00 O ATOM 382 CB ASP A 29 -2.419 -13.005 2.199 1.00 0.00 C ATOM 383 CG ASP A 29 -1.473 -13.636 3.202 1.00 0.00 C ATOM 384 OD1 ASP A 29 -1.343 -13.093 4.319 1.00 0.00 O ATOM 385 OD2 ASP A 29 -0.863 -14.674 2.870 1.00 0.00 O ATOM 0 H ASP A 29 -4.254 -12.711 0.462 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.845 -14.524 2.720 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.078 -13.232 1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.390 -11.921 2.309 1.00 0.00 H new ATOM 390 N GLU A 30 -5.897 -12.799 3.485 1.00 0.00 N ATOM 391 CA GLU A 30 -6.702 -12.040 4.435 1.00 0.00 C ATOM 392 C GLU A 30 -6.195 -10.606 4.555 1.00 0.00 C ATOM 393 O GLU A 30 -6.087 -10.064 5.655 1.00 0.00 O ATOM 394 CB GLU A 30 -6.683 -12.716 5.808 1.00 0.00 C ATOM 395 CG GLU A 30 -7.651 -13.881 5.926 1.00 0.00 C ATOM 396 CD GLU A 30 -9.060 -13.438 6.266 1.00 0.00 C ATOM 397 OE1 GLU A 30 -9.296 -13.057 7.432 1.00 0.00 O ATOM 398 OE2 GLU A 30 -9.927 -13.472 5.368 1.00 0.00 O ATOM 0 H GLU A 30 -6.429 -13.447 2.904 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.727 -12.015 4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.673 -13.071 6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.923 -11.976 6.571 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.665 -14.433 4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.295 -14.568 6.694 1.00 0.00 H new ATOM 405 N ARG A 31 -5.885 -9.997 3.415 1.00 0.00 N ATOM 406 CA ARG A 31 -5.388 -8.627 3.391 1.00 0.00 C ATOM 407 C ARG A 31 -6.176 -7.779 2.397 1.00 0.00 C ATOM 408 O ARG A 31 -6.800 -8.304 1.475 1.00 0.00 O ATOM 409 CB ARG A 31 -3.902 -8.607 3.028 1.00 0.00 C ATOM 410 CG ARG A 31 -2.979 -8.695 4.233 1.00 0.00 C ATOM 411 CD ARG A 31 -2.950 -7.387 5.009 1.00 0.00 C ATOM 412 NE ARG A 31 -2.338 -7.544 6.325 1.00 0.00 N ATOM 413 CZ ARG A 31 -1.045 -7.786 6.510 1.00 0.00 C ATOM 414 NH1 ARG A 31 -0.232 -7.896 5.468 1.00 0.00 N ATOM 415 NH2 ARG A 31 -0.562 -7.916 7.739 1.00 0.00 N ATOM 0 H ARG A 31 -5.969 -10.431 2.496 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.518 -8.203 4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.689 -9.439 2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.683 -7.691 2.479 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.310 -9.501 4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.971 -8.946 3.903 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.397 -6.640 4.439 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.967 -7.012 5.125 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.936 -7.463 7.147 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.599 -7.795 4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.760 -8.082 5.613 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.184 -7.830 8.543 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.431 -8.102 7.880 1.00 0.00 H new ATOM 429 N VAL A 32 -6.144 -6.464 2.592 1.00 0.00 N ATOM 430 CA VAL A 32 -6.855 -5.544 1.713 1.00 0.00 C ATOM 431 C VAL A 32 -6.042 -4.277 1.472 1.00 0.00 C ATOM 432 O VAL A 32 -5.430 -3.734 2.392 1.00 0.00 O ATOM 433 CB VAL A 32 -8.227 -5.157 2.296 1.00 0.00 C ATOM 434 CG1 VAL A 32 -8.070 -4.585 3.697 1.00 0.00 C ATOM 435 CG2 VAL A 32 -8.934 -4.167 1.383 1.00 0.00 C ATOM 0 H VAL A 32 -5.633 -6.013 3.351 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.005 -6.063 0.766 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.840 -6.056 2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.050 -4.317 4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.608 -5.330 4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.439 -3.697 3.659 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.902 -3.905 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.326 -3.268 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.081 -4.618 0.402 1.00 0.00 H new ATOM 445 N PHE A 33 -6.040 -3.809 0.228 1.00 0.00 N ATOM 446 CA PHE A 33 -5.302 -2.605 -0.136 1.00 0.00 C ATOM 447 C PHE A 33 -6.186 -1.642 -0.922 1.00 0.00 C ATOM 448 O PHE A 33 -7.251 -2.018 -1.412 1.00 0.00 O ATOM 449 CB PHE A 33 -4.065 -2.969 -0.960 1.00 0.00 C ATOM 450 CG PHE A 33 -4.391 -3.508 -2.324 1.00 0.00 C ATOM 451 CD1 PHE A 33 -4.711 -4.845 -2.497 1.00 0.00 C ATOM 452 CD2 PHE A 33 -4.378 -2.677 -3.433 1.00 0.00 C ATOM 453 CE1 PHE A 33 -5.012 -5.344 -3.750 1.00 0.00 C ATOM 454 CE2 PHE A 33 -4.678 -3.170 -4.689 1.00 0.00 C ATOM 455 CZ PHE A 33 -4.994 -4.505 -4.848 1.00 0.00 C ATOM 0 H PHE A 33 -6.542 -4.246 -0.545 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.985 -2.111 0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.437 -2.085 -1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.481 -3.710 -0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.725 -5.505 -1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.131 -1.632 -3.315 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.261 -6.388 -3.871 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.665 -2.512 -5.545 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.227 -4.893 -5.829 1.00 0.00 H new ATOM 465 N PHE A 34 -5.737 -0.396 -1.038 1.00 0.00 N ATOM 466 CA PHE A 34 -6.487 0.623 -1.763 1.00 0.00 C ATOM 467 C PHE A 34 -5.885 0.861 -3.144 1.00 0.00 C ATOM 468 O PHE A 34 -4.682 1.087 -3.279 1.00 0.00 O ATOM 469 CB PHE A 34 -6.507 1.931 -0.970 1.00 0.00 C ATOM 470 CG PHE A 34 -6.818 1.745 0.488 1.00 0.00 C ATOM 471 CD1 PHE A 34 -5.868 1.224 1.351 1.00 0.00 C ATOM 472 CD2 PHE A 34 -8.061 2.090 0.994 1.00 0.00 C ATOM 473 CE1 PHE A 34 -6.152 1.050 2.692 1.00 0.00 C ATOM 474 CE2 PHE A 34 -8.350 1.919 2.335 1.00 0.00 C ATOM 475 CZ PHE A 34 -7.394 1.400 3.185 1.00 0.00 C ATOM 0 H PHE A 34 -4.857 -0.068 -0.639 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.509 0.267 -1.889 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.538 2.420 -1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.247 2.601 -1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.894 0.951 0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.812 2.497 0.333 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.403 0.641 3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.323 2.191 2.717 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.617 1.268 4.233 1.00 0.00 H new ATOM 485 N TYR A 35 -6.730 0.809 -4.168 1.00 0.00 N ATOM 486 CA TYR A 35 -6.282 1.016 -5.540 1.00 0.00 C ATOM 487 C TYR A 35 -6.975 2.224 -6.163 1.00 0.00 C ATOM 488 O TYR A 35 -8.070 2.605 -5.752 1.00 0.00 O ATOM 489 CB TYR A 35 -6.554 -0.232 -6.381 1.00 0.00 C ATOM 490 CG TYR A 35 -6.376 -0.012 -7.867 1.00 0.00 C ATOM 491 CD1 TYR A 35 -5.157 0.409 -8.384 1.00 0.00 C ATOM 492 CD2 TYR A 35 -7.425 -0.224 -8.752 1.00 0.00 C ATOM 493 CE1 TYR A 35 -4.989 0.612 -9.740 1.00 0.00 C ATOM 494 CE2 TYR A 35 -7.266 -0.025 -10.109 1.00 0.00 C ATOM 495 CZ TYR A 35 -6.046 0.393 -10.599 1.00 0.00 C ATOM 496 OH TYR A 35 -5.883 0.594 -11.950 1.00 0.00 O ATOM 0 H TYR A 35 -7.729 0.625 -4.074 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.209 1.206 -5.520 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.886 -1.030 -6.058 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.572 -0.572 -6.192 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.327 0.580 -7.715 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.382 -0.550 -8.372 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.035 0.940 -10.126 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.092 -0.196 -10.783 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.723 0.394 -12.414 1.00 0.00 H new ATOM 506 N ASN A 36 -6.327 2.822 -7.157 1.00 0.00 N ATOM 507 CA ASN A 36 -6.879 3.987 -7.838 1.00 0.00 C ATOM 508 C ASN A 36 -6.753 3.843 -9.352 1.00 0.00 C ATOM 509 O ASN A 36 -5.709 4.119 -9.942 1.00 0.00 O ATOM 510 CB ASN A 36 -6.167 5.260 -7.375 1.00 0.00 C ATOM 511 CG ASN A 36 -6.843 6.518 -7.885 1.00 0.00 C ATOM 512 OD1 ASN A 36 -7.173 6.624 -9.066 1.00 0.00 O ATOM 513 ND2 ASN A 36 -7.051 7.480 -6.993 1.00 0.00 N ATOM 0 H ASN A 36 -5.419 2.519 -7.509 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.937 4.057 -7.584 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.139 5.282 -6.286 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.133 5.241 -7.720 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.501 8.350 -7.277 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.761 7.348 -6.024 1.00 0.00 H new ATOM 520 N PRO A 37 -7.843 3.401 -9.997 1.00 0.00 N ATOM 521 CA PRO A 37 -7.881 3.211 -11.450 1.00 0.00 C ATOM 522 C PRO A 37 -7.849 4.534 -12.208 1.00 0.00 C ATOM 523 O PRO A 37 -7.835 4.556 -13.440 1.00 0.00 O ATOM 524 CB PRO A 37 -9.214 2.495 -11.680 1.00 0.00 C ATOM 525 CG PRO A 37 -10.062 2.892 -10.521 1.00 0.00 C ATOM 526 CD PRO A 37 -9.123 3.053 -9.357 1.00 0.00 C ATOM 0 HA PRO A 37 -7.016 2.655 -11.811 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.668 2.797 -12.624 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.081 1.414 -11.721 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.593 3.822 -10.726 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.817 2.134 -10.312 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.458 3.836 -8.676 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.044 2.135 -8.774 1.00 0.00 H new ATOM 534 N THR A 38 -7.835 5.636 -11.466 1.00 0.00 N ATOM 535 CA THR A 38 -7.805 6.963 -12.068 1.00 0.00 C ATOM 536 C THR A 38 -6.385 7.514 -12.114 1.00 0.00 C ATOM 537 O THR A 38 -6.013 8.225 -13.048 1.00 0.00 O ATOM 538 CB THR A 38 -8.702 7.950 -11.297 1.00 0.00 C ATOM 539 OG1 THR A 38 -10.021 7.411 -11.161 1.00 0.00 O ATOM 540 CG2 THR A 38 -8.769 9.292 -12.012 1.00 0.00 C ATOM 0 H THR A 38 -7.844 5.636 -10.446 1.00 0.00 H new ATOM 0 HA THR A 38 -8.184 6.857 -13.085 1.00 0.00 H new ATOM 0 HB THR A 38 -8.269 8.103 -10.308 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.584 8.044 -10.668 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.408 9.973 -11.449 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.767 9.714 -12.088 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.180 9.152 -13.012 1.00 0.00 H new ATOM 548 N THR A 39 -5.592 7.181 -11.100 1.00 0.00 N ATOM 549 CA THR A 39 -4.212 7.642 -11.024 1.00 0.00 C ATOM 550 C THR A 39 -3.241 6.468 -10.988 1.00 0.00 C ATOM 551 O THR A 39 -2.087 6.617 -10.586 1.00 0.00 O ATOM 552 CB THR A 39 -3.981 8.523 -9.782 1.00 0.00 C ATOM 553 OG1 THR A 39 -4.201 7.758 -8.591 1.00 0.00 O ATOM 554 CG2 THR A 39 -4.908 9.729 -9.794 1.00 0.00 C ATOM 0 H THR A 39 -5.883 6.593 -10.319 1.00 0.00 H new ATOM 0 HA THR A 39 -4.028 8.235 -11.920 1.00 0.00 H new ATOM 0 HB THR A 39 -2.950 8.877 -9.801 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.051 8.325 -7.806 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.727 10.336 -8.907 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.718 10.325 -10.687 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.944 9.391 -9.797 1.00 0.00 H new ATOM 562 N ARG A 40 -3.715 5.301 -11.412 1.00 0.00 N ATOM 563 CA ARG A 40 -2.887 4.101 -11.428 1.00 0.00 C ATOM 564 C ARG A 40 -2.022 4.021 -10.174 1.00 0.00 C ATOM 565 O ARG A 40 -0.857 3.625 -10.234 1.00 0.00 O ATOM 566 CB ARG A 40 -2.000 4.083 -12.674 1.00 0.00 C ATOM 567 CG ARG A 40 -2.781 4.119 -13.978 1.00 0.00 C ATOM 568 CD ARG A 40 -1.965 3.558 -15.132 1.00 0.00 C ATOM 569 NE ARG A 40 -2.523 3.930 -16.429 1.00 0.00 N ATOM 570 CZ ARG A 40 -2.223 3.309 -17.564 1.00 0.00 C ATOM 571 NH1 ARG A 40 -1.376 2.289 -17.561 1.00 0.00 N ATOM 572 NH2 ARG A 40 -2.772 3.706 -18.705 1.00 0.00 N ATOM 0 H ARG A 40 -4.668 5.161 -11.749 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.548 3.235 -11.449 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.324 4.938 -12.641 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.381 3.186 -12.656 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.701 3.545 -13.868 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.071 5.146 -14.201 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.940 3.921 -15.061 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.925 2.472 -15.053 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.179 4.710 -16.465 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.953 1.980 -16.686 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.147 1.814 -18.434 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.425 4.489 -18.711 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.541 3.228 -19.576 1.00 0.00 H new ATOM 586 N LEU A 41 -2.598 4.399 -9.038 1.00 0.00 N ATOM 587 CA LEU A 41 -1.880 4.371 -7.769 1.00 0.00 C ATOM 588 C LEU A 41 -2.428 3.277 -6.857 1.00 0.00 C ATOM 589 O LEU A 41 -3.636 3.183 -6.640 1.00 0.00 O ATOM 590 CB LEU A 41 -1.981 5.729 -7.073 1.00 0.00 C ATOM 591 CG LEU A 41 -0.892 6.039 -6.045 1.00 0.00 C ATOM 592 CD1 LEU A 41 -0.882 4.990 -4.944 1.00 0.00 C ATOM 593 CD2 LEU A 41 0.470 6.120 -6.720 1.00 0.00 C ATOM 0 H LEU A 41 -3.561 4.729 -8.970 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.832 4.154 -7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.965 6.508 -7.836 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.949 5.789 -6.576 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.110 7.007 -5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.101 5.228 -4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.849 4.981 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.689 4.009 -5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.233 6.341 -5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.696 5.167 -7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.457 6.910 -7.471 1.00 0.00 H new ATOM 605 N SER A 42 -1.531 2.453 -6.325 1.00 0.00 N ATOM 606 CA SER A 42 -1.924 1.365 -5.438 1.00 0.00 C ATOM 607 C SER A 42 -0.992 1.282 -4.233 1.00 0.00 C ATOM 608 O SER A 42 0.200 1.011 -4.375 1.00 0.00 O ATOM 609 CB SER A 42 -1.918 0.035 -6.194 1.00 0.00 C ATOM 610 OG SER A 42 -0.595 -0.384 -6.479 1.00 0.00 O ATOM 0 H SER A 42 -0.527 2.518 -6.493 1.00 0.00 H new ATOM 0 HA SER A 42 -2.934 1.568 -5.081 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.424 -0.726 -5.600 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.478 0.139 -7.123 1.00 0.00 H new ATOM 0 HG SER A 42 0.037 0.142 -5.945 1.00 0.00 H new ATOM 616 N MET A 43 -1.545 1.518 -3.048 1.00 0.00 N ATOM 617 CA MET A 43 -0.764 1.469 -1.817 1.00 0.00 C ATOM 618 C MET A 43 -1.211 0.308 -0.935 1.00 0.00 C ATOM 619 O MET A 43 -2.322 -0.203 -1.081 1.00 0.00 O ATOM 620 CB MET A 43 -0.895 2.787 -1.052 1.00 0.00 C ATOM 621 CG MET A 43 -0.816 4.017 -1.941 1.00 0.00 C ATOM 622 SD MET A 43 -0.160 5.457 -1.077 1.00 0.00 S ATOM 623 CE MET A 43 -0.837 5.206 0.562 1.00 0.00 C ATOM 0 H MET A 43 -2.530 1.745 -2.914 1.00 0.00 H new ATOM 0 HA MET A 43 0.281 1.316 -2.085 1.00 0.00 H new ATOM 0 HB2 MET A 43 -1.846 2.795 -0.519 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.107 2.841 -0.300 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.186 3.797 -2.803 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.810 4.249 -2.323 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.849 6.154 1.100 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.854 4.822 0.481 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.221 4.489 1.104 1.00 0.00 H new ATOM 633 N TRP A 44 -0.340 -0.104 -0.021 1.00 0.00 N ATOM 634 CA TRP A 44 -0.647 -1.206 0.885 1.00 0.00 C ATOM 635 C TRP A 44 -1.342 -0.699 2.143 1.00 0.00 C ATOM 636 O TRP A 44 -1.898 -1.481 2.914 1.00 0.00 O ATOM 637 CB TRP A 44 0.633 -1.955 1.261 1.00 0.00 C ATOM 638 CG TRP A 44 0.952 -3.088 0.333 1.00 0.00 C ATOM 639 CD1 TRP A 44 1.940 -3.123 -0.608 1.00 0.00 C ATOM 640 CD2 TRP A 44 0.278 -4.349 0.257 1.00 0.00 C ATOM 641 NE1 TRP A 44 1.922 -4.330 -1.265 1.00 0.00 N ATOM 642 CE2 TRP A 44 0.912 -5.100 -0.752 1.00 0.00 C ATOM 643 CE3 TRP A 44 -0.798 -4.918 0.945 1.00 0.00 C ATOM 644 CZ2 TRP A 44 0.503 -6.388 -1.089 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -1.202 -6.196 0.609 1.00 0.00 C ATOM 646 CH2 TRP A 44 -0.553 -6.920 -0.400 1.00 0.00 C ATOM 0 H TRP A 44 0.584 0.308 0.113 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.322 -1.890 0.370 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.467 -1.254 1.267 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.534 -2.342 2.275 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.634 -2.320 -0.807 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.558 -4.607 -2.013 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.304 -4.369 1.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.002 -6.947 -1.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.033 -6.645 1.133 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.893 -7.917 -0.639 1.00 0.00 H new ATOM 657 N ASP A 45 -1.307 0.614 2.345 1.00 0.00 N ATOM 658 CA ASP A 45 -1.936 1.225 3.510 1.00 0.00 C ATOM 659 C ASP A 45 -3.017 2.215 3.088 1.00 0.00 C ATOM 660 O ASP A 45 -3.207 2.472 1.899 1.00 0.00 O ATOM 661 CB ASP A 45 -0.886 1.933 4.370 1.00 0.00 C ATOM 662 CG ASP A 45 -0.157 0.978 5.295 1.00 0.00 C ATOM 663 OD1 ASP A 45 -0.819 0.374 6.166 1.00 0.00 O ATOM 664 OD2 ASP A 45 1.074 0.836 5.149 1.00 0.00 O ATOM 0 H ASP A 45 -0.850 1.275 1.717 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.403 0.434 4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.164 2.429 3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.369 2.710 4.962 1.00 0.00 H new ATOM 669 N ARG A 46 -3.722 2.768 4.070 1.00 0.00 N ATOM 670 CA ARG A 46 -4.786 3.728 3.799 1.00 0.00 C ATOM 671 C ARG A 46 -4.223 5.140 3.669 1.00 0.00 C ATOM 672 O ARG A 46 -3.757 5.741 4.637 1.00 0.00 O ATOM 673 CB ARG A 46 -5.834 3.686 4.912 1.00 0.00 C ATOM 674 CG ARG A 46 -7.134 4.387 4.551 1.00 0.00 C ATOM 675 CD ARG A 46 -7.111 5.850 4.965 1.00 0.00 C ATOM 676 NE ARG A 46 -7.363 6.020 6.393 1.00 0.00 N ATOM 677 CZ ARG A 46 -8.576 5.995 6.933 1.00 0.00 C ATOM 678 NH1 ARG A 46 -9.642 5.810 6.168 1.00 0.00 N ATOM 679 NH2 ARG A 46 -8.724 6.157 8.242 1.00 0.00 N ATOM 0 H ARG A 46 -3.576 2.568 5.059 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.257 3.455 2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.048 2.646 5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.419 4.147 5.808 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.302 4.314 3.476 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.968 3.883 5.039 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.142 6.282 4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.862 6.399 4.397 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.564 6.166 7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.532 5.686 5.162 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.572 5.791 6.586 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.906 6.301 8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.656 6.138 8.656 1.00 0.00 H new ATOM 693 N PRO A 47 -4.266 5.683 2.443 1.00 0.00 N ATOM 694 CA PRO A 47 -3.765 7.031 2.157 1.00 0.00 C ATOM 695 C PRO A 47 -4.637 8.117 2.776 1.00 0.00 C ATOM 696 O PRO A 47 -5.789 7.872 3.136 1.00 0.00 O ATOM 697 CB PRO A 47 -3.815 7.111 0.629 1.00 0.00 C ATOM 698 CG PRO A 47 -4.870 6.137 0.233 1.00 0.00 C ATOM 699 CD PRO A 47 -4.807 5.024 1.243 1.00 0.00 C ATOM 0 HA PRO A 47 -2.771 7.193 2.574 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.060 8.119 0.293 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.852 6.853 0.187 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.854 6.607 0.231 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.695 5.760 -0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.791 4.594 1.430 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.163 4.211 0.906 1.00 0.00 H new ATOM 707 N ASP A 48 -4.082 9.318 2.897 1.00 0.00 N ATOM 708 CA ASP A 48 -4.810 10.443 3.472 1.00 0.00 C ATOM 709 C ASP A 48 -6.081 10.729 2.678 1.00 0.00 C ATOM 710 O ASP A 48 -7.152 10.928 3.253 1.00 0.00 O ATOM 711 CB ASP A 48 -3.924 11.689 3.505 1.00 0.00 C ATOM 712 CG ASP A 48 -2.955 11.742 2.339 1.00 0.00 C ATOM 713 OD1 ASP A 48 -3.287 11.193 1.268 1.00 0.00 O ATOM 714 OD2 ASP A 48 -1.866 12.331 2.498 1.00 0.00 O ATOM 0 H ASP A 48 -3.130 9.537 2.604 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.090 10.180 4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.553 12.579 3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.364 11.709 4.440 1.00 0.00 H new ATOM 719 N ASP A 49 -5.955 10.750 1.356 1.00 0.00 N ATOM 720 CA ASP A 49 -7.094 11.012 0.483 1.00 0.00 C ATOM 721 C ASP A 49 -8.353 10.335 1.015 1.00 0.00 C ATOM 722 O ASP A 49 -9.471 10.779 0.747 1.00 0.00 O ATOM 723 CB ASP A 49 -6.799 10.525 -0.936 1.00 0.00 C ATOM 724 CG ASP A 49 -5.917 11.487 -1.707 1.00 0.00 C ATOM 725 OD1 ASP A 49 -5.008 12.082 -1.091 1.00 0.00 O ATOM 726 OD2 ASP A 49 -6.137 11.647 -2.926 1.00 0.00 O ATOM 0 H ASP A 49 -5.076 10.589 0.865 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.263 12.089 0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.314 9.550 -0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.738 10.388 -1.472 1.00 0.00 H new ATOM 731 N LEU A 50 -8.166 9.258 1.770 1.00 0.00 N ATOM 732 CA LEU A 50 -9.287 8.518 2.339 1.00 0.00 C ATOM 733 C LEU A 50 -9.407 8.780 3.837 1.00 0.00 C ATOM 734 O LEU A 50 -10.507 8.777 4.392 1.00 0.00 O ATOM 735 CB LEU A 50 -9.118 7.020 2.083 1.00 0.00 C ATOM 736 CG LEU A 50 -9.247 6.569 0.628 1.00 0.00 C ATOM 737 CD1 LEU A 50 -8.938 5.085 0.499 1.00 0.00 C ATOM 738 CD2 LEU A 50 -10.640 6.873 0.097 1.00 0.00 C ATOM 0 H LEU A 50 -7.249 8.878 2.002 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.201 8.861 1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.138 6.717 2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.860 6.485 2.676 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.523 7.123 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.035 4.782 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.920 4.894 0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.637 4.513 1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.714 6.545 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.381 6.346 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.824 7.946 0.152 1.00 0.00 H new ATOM 750 N ILE A 51 -8.270 9.006 4.486 1.00 0.00 N ATOM 751 CA ILE A 51 -8.248 9.272 5.919 1.00 0.00 C ATOM 752 C ILE A 51 -9.352 10.248 6.314 1.00 0.00 C ATOM 753 O ILE A 51 -9.434 11.355 5.784 1.00 0.00 O ATOM 754 CB ILE A 51 -6.889 9.844 6.365 1.00 0.00 C ATOM 755 CG1 ILE A 51 -5.807 8.765 6.287 1.00 0.00 C ATOM 756 CG2 ILE A 51 -6.987 10.402 7.777 1.00 0.00 C ATOM 757 CD1 ILE A 51 -4.420 9.276 6.607 1.00 0.00 C ATOM 0 H ILE A 51 -7.352 9.010 4.042 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.413 8.318 6.419 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.615 10.657 5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.057 7.960 6.978 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.805 8.336 5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.019 10.802 8.078 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.733 11.197 7.803 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.280 9.607 8.463 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.704 8.457 6.532 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.149 10.060 5.900 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.405 9.679 7.620 1.00 0.00 H new ATOM 769 N GLY A 52 -10.198 9.829 7.250 1.00 0.00 N ATOM 770 CA GLY A 52 -11.285 10.678 7.701 1.00 0.00 C ATOM 771 C GLY A 52 -12.635 10.206 7.201 1.00 0.00 C ATOM 772 O GLY A 52 -13.643 10.340 7.896 1.00 0.00 O ATOM 0 H GLY A 52 -10.150 8.917 7.704 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.293 10.704 8.791 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.111 11.698 7.359 1.00 0.00 H new ATOM 776 N ARG A 53 -12.657 9.654 5.992 1.00 0.00 N ATOM 777 CA ARG A 53 -13.896 9.164 5.399 1.00 0.00 C ATOM 778 C ARG A 53 -14.445 7.980 6.188 1.00 0.00 C ATOM 779 O ARG A 53 -13.689 7.133 6.664 1.00 0.00 O ATOM 780 CB ARG A 53 -13.661 8.756 3.943 1.00 0.00 C ATOM 781 CG ARG A 53 -13.698 9.923 2.970 1.00 0.00 C ATOM 782 CD ARG A 53 -14.114 9.474 1.578 1.00 0.00 C ATOM 783 NE ARG A 53 -15.558 9.576 1.379 1.00 0.00 N ATOM 784 CZ ARG A 53 -16.210 10.731 1.304 1.00 0.00 C ATOM 785 NH1 ARG A 53 -15.550 11.876 1.410 1.00 0.00 N ATOM 786 NH2 ARG A 53 -17.524 10.742 1.122 1.00 0.00 N ATOM 0 H ARG A 53 -11.832 9.535 5.404 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.629 9.970 5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -12.694 8.260 3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.418 8.027 3.652 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.394 10.679 3.333 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.715 10.391 2.924 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.601 10.082 0.833 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.798 8.443 1.420 1.00 0.00 H new ATOM 0 HE ARG A 53 -16.095 8.713 1.293 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.540 11.871 1.549 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.053 12.762 1.352 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -18.035 9.863 1.040 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -18.023 11.629 1.065 1.00 0.00 H new ATOM 800 N ALA A 54 -15.766 7.927 6.324 1.00 0.00 N ATOM 801 CA ALA A 54 -16.417 6.846 7.054 1.00 0.00 C ATOM 802 C ALA A 54 -16.756 5.684 6.127 1.00 0.00 C ATOM 803 O ALA A 54 -16.809 4.531 6.555 1.00 0.00 O ATOM 804 CB ALA A 54 -17.673 7.357 7.745 1.00 0.00 C ATOM 0 H ALA A 54 -16.407 8.621 5.938 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.722 6.482 7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -18.149 6.539 8.286 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.407 8.149 8.445 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.364 7.749 6.999 1.00 0.00 H new ATOM 810 N ASP A 55 -16.986 5.995 4.856 1.00 0.00 N ATOM 811 CA ASP A 55 -17.321 4.976 3.868 1.00 0.00 C ATOM 812 C ASP A 55 -16.144 4.031 3.643 1.00 0.00 C ATOM 813 O ASP A 55 -16.300 2.810 3.676 1.00 0.00 O ATOM 814 CB ASP A 55 -17.726 5.630 2.546 1.00 0.00 C ATOM 815 CG ASP A 55 -18.404 6.971 2.748 1.00 0.00 C ATOM 816 OD1 ASP A 55 -19.117 7.128 3.761 1.00 0.00 O ATOM 817 OD2 ASP A 55 -18.222 7.863 1.893 1.00 0.00 O ATOM 0 H ASP A 55 -16.947 6.945 4.486 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.162 4.397 4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.841 5.764 1.924 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.398 4.964 2.005 1.00 0.00 H new ATOM 822 N VAL A 56 -14.967 4.604 3.412 1.00 0.00 N ATOM 823 CA VAL A 56 -13.764 3.814 3.181 1.00 0.00 C ATOM 824 C VAL A 56 -13.525 2.830 4.322 1.00 0.00 C ATOM 825 O VAL A 56 -12.967 1.752 4.118 1.00 0.00 O ATOM 826 CB VAL A 56 -12.523 4.712 3.025 1.00 0.00 C ATOM 827 CG1 VAL A 56 -12.413 5.679 4.194 1.00 0.00 C ATOM 828 CG2 VAL A 56 -11.265 3.866 2.901 1.00 0.00 C ATOM 0 H VAL A 56 -14.821 5.613 3.380 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.922 3.262 2.255 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.631 5.296 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.530 6.305 4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.302 6.308 4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.328 5.117 5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.398 4.517 2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.149 3.254 3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.346 3.220 2.027 1.00 0.00 H new ATOM 838 N ASP A 57 -13.952 3.209 5.521 1.00 0.00 N ATOM 839 CA ASP A 57 -13.786 2.360 6.695 1.00 0.00 C ATOM 840 C ASP A 57 -14.839 1.257 6.721 1.00 0.00 C ATOM 841 O ASP A 57 -14.512 0.073 6.810 1.00 0.00 O ATOM 842 CB ASP A 57 -13.874 3.196 7.973 1.00 0.00 C ATOM 843 CG ASP A 57 -13.261 2.494 9.168 1.00 0.00 C ATOM 844 OD1 ASP A 57 -13.779 1.427 9.559 1.00 0.00 O ATOM 845 OD2 ASP A 57 -12.263 3.011 9.711 1.00 0.00 O ATOM 0 H ASP A 57 -14.416 4.098 5.706 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.801 1.896 6.641 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.368 4.148 7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.919 3.422 8.185 1.00 0.00 H new ATOM 850 N LYS A 58 -16.105 1.653 6.643 1.00 0.00 N ATOM 851 CA LYS A 58 -17.208 0.699 6.657 1.00 0.00 C ATOM 852 C LYS A 58 -16.950 -0.446 5.682 1.00 0.00 C ATOM 853 O LYS A 58 -17.000 -1.617 6.058 1.00 0.00 O ATOM 854 CB LYS A 58 -18.521 1.400 6.301 1.00 0.00 C ATOM 855 CG LYS A 58 -19.746 0.517 6.465 1.00 0.00 C ATOM 856 CD LYS A 58 -20.989 1.177 5.893 1.00 0.00 C ATOM 857 CE LYS A 58 -22.243 0.382 6.220 1.00 0.00 C ATOM 858 NZ LYS A 58 -22.796 0.742 7.556 1.00 0.00 N ATOM 0 H LYS A 58 -16.393 2.629 6.569 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.285 0.286 7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.633 2.283 6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.469 1.747 5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.577 -0.437 5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.901 0.301 7.522 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -21.083 2.187 6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.888 1.270 4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.997 0.562 5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -22.014 -0.683 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -23.650 0.178 7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.086 0.546 8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -23.039 1.753 7.570 1.00 0.00 H new ATOM 872 N ILE A 59 -16.673 -0.099 4.430 1.00 0.00 N ATOM 873 CA ILE A 59 -16.405 -1.097 3.402 1.00 0.00 C ATOM 874 C ILE A 59 -15.398 -2.132 3.891 1.00 0.00 C ATOM 875 O ILE A 59 -15.657 -3.335 3.845 1.00 0.00 O ATOM 876 CB ILE A 59 -15.871 -0.448 2.112 1.00 0.00 C ATOM 877 CG1 ILE A 59 -16.909 0.514 1.531 1.00 0.00 C ATOM 878 CG2 ILE A 59 -15.504 -1.517 1.093 1.00 0.00 C ATOM 879 CD1 ILE A 59 -16.376 1.372 0.405 1.00 0.00 C ATOM 0 H ILE A 59 -16.628 0.866 4.103 1.00 0.00 H new ATOM 0 HA ILE A 59 -17.353 -1.589 3.185 1.00 0.00 H new ATOM 0 HB ILE A 59 -14.972 0.119 2.354 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.761 -0.060 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -17.278 1.161 2.327 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -15.128 -1.042 0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -14.734 -2.167 1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.387 -2.109 0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -17.167 2.029 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -15.543 1.973 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -16.034 0.733 -0.409 1.00 0.00 H new ATOM 891 N ILE A 60 -14.250 -1.657 4.361 1.00 0.00 N ATOM 892 CA ILE A 60 -13.205 -2.541 4.862 1.00 0.00 C ATOM 893 C ILE A 60 -13.705 -3.371 6.040 1.00 0.00 C ATOM 894 O ILE A 60 -13.385 -4.553 6.158 1.00 0.00 O ATOM 895 CB ILE A 60 -11.959 -1.749 5.299 1.00 0.00 C ATOM 896 CG1 ILE A 60 -11.282 -1.111 4.084 1.00 0.00 C ATOM 897 CG2 ILE A 60 -10.986 -2.657 6.038 1.00 0.00 C ATOM 898 CD1 ILE A 60 -10.404 0.071 4.434 1.00 0.00 C ATOM 0 H ILE A 60 -14.020 -0.664 4.405 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.934 -3.205 4.041 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.271 -0.955 5.977 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.679 -1.864 3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.048 -0.788 3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.110 -2.083 6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.473 -3.069 6.922 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.677 -3.470 5.381 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.956 0.473 3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.006 0.842 4.914 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.616 -0.250 5.115 1.00 0.00 H new ATOM 910 N GLN A 61 -14.492 -2.743 6.907 1.00 0.00 N ATOM 911 CA GLN A 61 -15.037 -3.424 8.076 1.00 0.00 C ATOM 912 C GLN A 61 -15.886 -4.621 7.661 1.00 0.00 C ATOM 913 O GLN A 61 -15.695 -5.730 8.158 1.00 0.00 O ATOM 914 CB GLN A 61 -15.875 -2.455 8.912 1.00 0.00 C ATOM 915 CG GLN A 61 -15.058 -1.353 9.568 1.00 0.00 C ATOM 916 CD GLN A 61 -15.673 -0.864 10.864 1.00 0.00 C ATOM 917 OE1 GLN A 61 -16.035 -1.658 11.732 1.00 0.00 O ATOM 918 NE2 GLN A 61 -15.794 0.451 11.002 1.00 0.00 N ATOM 0 H GLN A 61 -14.767 -1.764 6.823 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.203 -3.784 8.678 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.635 -2.002 8.275 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.400 -3.016 9.685 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.051 -1.720 9.764 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -14.963 -0.516 8.877 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -15.481 1.073 10.257 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -16.200 0.839 11.853 1.00 0.00 H new ATOM 927 N GLU A 62 -16.823 -4.388 6.748 1.00 0.00 N ATOM 928 CA GLU A 62 -17.702 -5.449 6.268 1.00 0.00 C ATOM 929 C GLU A 62 -17.573 -5.620 4.757 1.00 0.00 C ATOM 930 O GLU A 62 -18.311 -5.021 3.974 1.00 0.00 O ATOM 931 CB GLU A 62 -19.155 -5.143 6.636 1.00 0.00 C ATOM 932 CG GLU A 62 -19.556 -5.657 8.009 1.00 0.00 C ATOM 933 CD GLU A 62 -19.229 -4.675 9.117 1.00 0.00 C ATOM 934 OE1 GLU A 62 -19.609 -3.492 8.992 1.00 0.00 O ATOM 935 OE2 GLU A 62 -18.593 -5.089 10.109 1.00 0.00 O ATOM 0 H GLU A 62 -16.993 -3.475 6.326 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.402 -6.380 6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -19.310 -4.065 6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.812 -5.584 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -20.626 -5.865 8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.046 -6.601 8.203 1.00 0.00 H new ATOM 942 N PRO A 63 -16.613 -6.456 4.336 1.00 0.00 N ATOM 943 CA PRO A 63 -16.364 -6.726 2.917 1.00 0.00 C ATOM 944 C PRO A 63 -17.487 -7.534 2.275 1.00 0.00 C ATOM 945 O PRO A 63 -18.209 -8.276 2.941 1.00 0.00 O ATOM 946 CB PRO A 63 -15.064 -7.534 2.932 1.00 0.00 C ATOM 947 CG PRO A 63 -15.032 -8.174 4.276 1.00 0.00 C ATOM 948 CD PRO A 63 -15.697 -7.204 5.213 1.00 0.00 C ATOM 0 HA PRO A 63 -16.304 -5.808 2.332 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.052 -8.280 2.138 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.197 -6.892 2.779 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.557 -9.129 4.266 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.007 -8.377 4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -16.234 -7.719 6.010 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.972 -6.546 5.691 1.00 0.00 H new ATOM 956 N PRO A 64 -17.638 -7.390 0.950 1.00 0.00 N ATOM 957 CA PRO A 64 -18.670 -8.100 0.189 1.00 0.00 C ATOM 958 C PRO A 64 -18.394 -9.596 0.093 1.00 0.00 C ATOM 959 O PRO A 64 -19.267 -10.419 0.371 1.00 0.00 O ATOM 960 CB PRO A 64 -18.598 -7.453 -1.196 1.00 0.00 C ATOM 961 CG PRO A 64 -17.206 -6.934 -1.300 1.00 0.00 C ATOM 962 CD PRO A 64 -16.813 -6.523 0.092 1.00 0.00 C ATOM 0 HA PRO A 64 -19.650 -8.022 0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.810 -8.177 -1.983 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -19.328 -6.650 -1.296 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.532 -7.699 -1.686 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.155 -6.088 -1.986 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.749 -6.676 0.271 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.018 -5.468 0.272 1.00 0.00 H new ATOM 970 N HIS A 65 -17.172 -9.944 -0.301 1.00 0.00 N ATOM 971 CA HIS A 65 -16.780 -11.343 -0.432 1.00 0.00 C ATOM 972 C HIS A 65 -17.129 -12.125 0.830 1.00 0.00 C ATOM 973 O HIS A 65 -17.181 -13.355 0.816 1.00 0.00 O ATOM 974 CB HIS A 65 -15.282 -11.450 -0.715 1.00 0.00 C ATOM 975 CG HIS A 65 -14.425 -11.192 0.487 1.00 0.00 C ATOM 976 ND1 HIS A 65 -14.085 -9.925 0.910 1.00 0.00 N ATOM 977 CD2 HIS A 65 -13.841 -12.048 1.357 1.00 0.00 C ATOM 978 CE1 HIS A 65 -13.327 -10.012 1.989 1.00 0.00 C ATOM 979 NE2 HIS A 65 -13.164 -11.290 2.281 1.00 0.00 N ATOM 0 H HIS A 65 -16.437 -9.276 -0.535 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.331 -11.773 -1.268 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.064 -12.446 -1.100 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -15.017 -10.740 -1.499 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.897 -13.126 1.330 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.912 -9.180 2.538 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.623 -11.655 3.065 1.00 0.00 H new