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= -0.701 K(o=-1,f=-19!) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= -0.305 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -39:sc= -2.15 USER MOD Single : A 23 CYS SG : rot -169:sc= -0.569 USER MOD Single : A 27 THR OG1 : rot -130:sc= -0.34 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.216 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 40:sc= 0.997 USER MOD Single : A 43 MET CE :methyl -159:sc= -1.42 (180deg=-3.32!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -2.11! C(o=-2.1!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 11 -5.641 -10.442 -6.033 1.00 0.00 N ATOM 121 CA PRO A 11 -6.782 -10.034 -5.207 1.00 0.00 C ATOM 122 C PRO A 11 -7.932 -11.033 -5.273 1.00 0.00 C ATOM 123 O PRO A 11 -8.004 -11.853 -6.188 1.00 0.00 O ATOM 124 CB PRO A 11 -7.201 -8.695 -5.819 1.00 0.00 C ATOM 125 CG PRO A 11 -6.732 -8.760 -7.231 1.00 0.00 C ATOM 126 CD PRO A 11 -5.468 -9.575 -7.211 1.00 0.00 C ATOM 0 HA PRO A 11 -6.520 -9.972 -4.151 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.281 -8.557 -5.767 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.746 -7.858 -5.289 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.484 -9.222 -7.871 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.546 -7.762 -7.627 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.351 -10.157 -8.125 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.584 -8.944 -7.119 1.00 0.00 H new ATOM 134 N VAL A 12 -8.832 -10.958 -4.297 1.00 0.00 N ATOM 135 CA VAL A 12 -9.980 -11.855 -4.245 1.00 0.00 C ATOM 136 C VAL A 12 -11.276 -11.106 -4.532 1.00 0.00 C ATOM 137 O VAL A 12 -12.198 -11.649 -5.139 1.00 0.00 O ATOM 138 CB VAL A 12 -10.091 -12.546 -2.873 1.00 0.00 C ATOM 139 CG1 VAL A 12 -8.863 -13.401 -2.604 1.00 0.00 C ATOM 140 CG2 VAL A 12 -10.284 -11.514 -1.772 1.00 0.00 C ATOM 0 H VAL A 12 -8.788 -10.285 -3.532 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.825 -12.613 -5.013 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.963 -13.200 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.960 -13.881 -1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.774 -14.164 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.973 -12.772 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.361 -12.019 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.433 -10.833 -1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.197 -10.949 -1.959 1.00 0.00 H new ATOM 150 N ALA A 13 -11.339 -9.854 -4.091 1.00 0.00 N ATOM 151 CA ALA A 13 -12.521 -9.028 -4.302 1.00 0.00 C ATOM 152 C ALA A 13 -12.146 -7.556 -4.438 1.00 0.00 C ATOM 153 O ALA A 13 -11.188 -7.089 -3.821 1.00 0.00 O ATOM 154 CB ALA A 13 -13.509 -9.219 -3.160 1.00 0.00 C ATOM 0 H ALA A 13 -10.585 -9.390 -3.585 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.992 -9.343 -5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.387 -8.596 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.810 -10.265 -3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.038 -8.932 -2.220 1.00 0.00 H new ATOM 160 N THR A 14 -12.906 -6.829 -5.251 1.00 0.00 N ATOM 161 CA THR A 14 -12.652 -5.411 -5.470 1.00 0.00 C ATOM 162 C THR A 14 -13.952 -4.614 -5.474 1.00 0.00 C ATOM 163 O THR A 14 -14.955 -5.046 -6.040 1.00 0.00 O ATOM 164 CB THR A 14 -11.913 -5.171 -6.800 1.00 0.00 C ATOM 165 OG1 THR A 14 -10.816 -6.084 -6.922 1.00 0.00 O ATOM 166 CG2 THR A 14 -11.400 -3.741 -6.884 1.00 0.00 C ATOM 0 H THR A 14 -13.703 -7.199 -5.769 1.00 0.00 H new ATOM 0 HA THR A 14 -12.023 -5.072 -4.647 1.00 0.00 H new ATOM 0 HB THR A 14 -12.616 -5.337 -7.616 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.352 -5.926 -7.771 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.882 -3.595 -7.832 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.240 -3.049 -6.819 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.711 -3.553 -6.061 1.00 0.00 H new ATOM 174 N ALA A 15 -13.926 -3.446 -4.838 1.00 0.00 N ATOM 175 CA ALA A 15 -15.102 -2.588 -4.771 1.00 0.00 C ATOM 176 C ALA A 15 -14.706 -1.115 -4.762 1.00 0.00 C ATOM 177 O ALA A 15 -13.852 -0.681 -3.989 1.00 0.00 O ATOM 178 CB ALA A 15 -15.929 -2.921 -3.539 1.00 0.00 C ATOM 0 H ALA A 15 -13.104 -3.074 -4.363 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.706 -2.770 -5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.804 -2.272 -3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.250 -3.961 -3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.326 -2.768 -2.644 1.00 0.00 H new ATOM 184 N PRO A 16 -15.339 -0.326 -5.643 1.00 0.00 N ATOM 185 CA PRO A 16 -15.069 1.110 -5.756 1.00 0.00 C ATOM 186 C PRO A 16 -15.571 1.892 -4.547 1.00 0.00 C ATOM 187 O PRO A 16 -16.722 1.743 -4.134 1.00 0.00 O ATOM 188 CB PRO A 16 -15.841 1.518 -7.014 1.00 0.00 C ATOM 189 CG PRO A 16 -16.932 0.512 -7.132 1.00 0.00 C ATOM 190 CD PRO A 16 -16.369 -0.775 -6.596 1.00 0.00 C ATOM 0 HA PRO A 16 -14.001 1.321 -5.807 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.242 2.528 -6.922 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.197 1.509 -7.894 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.810 0.820 -6.564 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.247 0.398 -8.169 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.135 -1.376 -6.106 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.942 -1.388 -7.390 1.00 0.00 H new ATOM 198 N ILE A 17 -14.701 2.723 -3.983 1.00 0.00 N ATOM 199 CA ILE A 17 -15.058 3.529 -2.822 1.00 0.00 C ATOM 200 C ILE A 17 -15.924 4.718 -3.222 1.00 0.00 C ATOM 201 O ILE A 17 -15.646 5.421 -4.194 1.00 0.00 O ATOM 202 CB ILE A 17 -13.806 4.045 -2.088 1.00 0.00 C ATOM 203 CG1 ILE A 17 -13.000 2.873 -1.523 1.00 0.00 C ATOM 204 CG2 ILE A 17 -14.201 5.007 -0.979 1.00 0.00 C ATOM 205 CD1 ILE A 17 -12.063 3.268 -0.404 1.00 0.00 C ATOM 0 H ILE A 17 -13.744 2.856 -4.311 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.622 2.881 -2.151 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.180 4.581 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.689 2.112 -1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.421 2.419 -2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.305 5.363 -0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -14.736 5.855 -1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -14.845 4.494 -0.265 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.525 2.388 -0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.350 4.007 -0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.638 3.694 0.418 1.00 0.00 H new ATOM 217 N PRO A 18 -17.000 4.951 -2.456 1.00 0.00 N ATOM 218 CA PRO A 18 -17.928 6.057 -2.710 1.00 0.00 C ATOM 219 C PRO A 18 -17.304 7.417 -2.418 1.00 0.00 C ATOM 220 O PRO A 18 -16.632 7.598 -1.403 1.00 0.00 O ATOM 221 CB PRO A 18 -19.083 5.780 -1.743 1.00 0.00 C ATOM 222 CG PRO A 18 -18.472 4.983 -0.643 1.00 0.00 C ATOM 223 CD PRO A 18 -17.393 4.154 -1.282 1.00 0.00 C ATOM 0 HA PRO A 18 -18.231 6.102 -3.756 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.516 6.707 -1.367 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -19.886 5.229 -2.233 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.059 5.634 0.128 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -19.216 4.350 -0.160 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.554 3.996 -0.605 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.760 3.169 -1.570 1.00 0.00 H new ATOM 231 N GLY A 19 -17.530 8.372 -3.315 1.00 0.00 N ATOM 232 CA GLY A 19 -16.982 9.704 -3.134 1.00 0.00 C ATOM 233 C GLY A 19 -15.549 9.812 -3.616 1.00 0.00 C ATOM 234 O GLY A 19 -15.201 10.734 -4.354 1.00 0.00 O ATOM 0 H GLY A 19 -18.082 8.247 -4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.598 10.423 -3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.028 9.972 -2.079 1.00 0.00 H new ATOM 238 N THR A 20 -14.713 8.867 -3.197 1.00 0.00 N ATOM 239 CA THR A 20 -13.309 8.861 -3.587 1.00 0.00 C ATOM 240 C THR A 20 -13.064 7.900 -4.745 1.00 0.00 C ATOM 241 O THR A 20 -13.708 6.857 -4.864 1.00 0.00 O ATOM 242 CB THR A 20 -12.399 8.468 -2.408 1.00 0.00 C ATOM 243 OG1 THR A 20 -12.197 7.051 -2.396 1.00 0.00 O ATOM 244 CG2 THR A 20 -13.007 8.910 -1.085 1.00 0.00 C ATOM 0 H THR A 20 -14.984 8.096 -2.587 1.00 0.00 H new ATOM 0 HA THR A 20 -13.065 9.876 -3.902 1.00 0.00 H new ATOM 0 HB THR A 20 -11.440 8.970 -2.535 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.033 6.599 -2.635 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.347 8.622 -0.267 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.132 9.993 -1.086 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.978 8.433 -0.953 1.00 0.00 H new ATOM 252 N PRO A 21 -12.112 8.256 -5.620 1.00 0.00 N ATOM 253 CA PRO A 21 -11.760 7.437 -6.783 1.00 0.00 C ATOM 254 C PRO A 21 -11.053 6.145 -6.390 1.00 0.00 C ATOM 255 O PRO A 21 -10.726 5.321 -7.244 1.00 0.00 O ATOM 256 CB PRO A 21 -10.817 8.341 -7.581 1.00 0.00 C ATOM 257 CG PRO A 21 -10.232 9.265 -6.570 1.00 0.00 C ATOM 258 CD PRO A 21 -11.306 9.486 -5.540 1.00 0.00 C ATOM 0 HA PRO A 21 -12.642 7.120 -7.340 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.042 7.761 -8.082 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.355 8.890 -8.354 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.340 8.833 -6.117 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.932 10.207 -7.029 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.885 9.627 -4.544 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.901 10.372 -5.763 1.00 0.00 H new ATOM 266 N TRP A 22 -10.819 5.975 -5.094 1.00 0.00 N ATOM 267 CA TRP A 22 -10.150 4.782 -4.588 1.00 0.00 C ATOM 268 C TRP A 22 -11.067 3.566 -4.673 1.00 0.00 C ATOM 269 O TRP A 22 -12.290 3.702 -4.720 1.00 0.00 O ATOM 270 CB TRP A 22 -9.702 4.998 -3.142 1.00 0.00 C ATOM 271 CG TRP A 22 -8.538 5.933 -3.014 1.00 0.00 C ATOM 272 CD1 TRP A 22 -8.590 7.279 -2.786 1.00 0.00 C ATOM 273 CD2 TRP A 22 -7.151 5.593 -3.109 1.00 0.00 C ATOM 274 NE1 TRP A 22 -7.318 7.795 -2.733 1.00 0.00 N ATOM 275 CE2 TRP A 22 -6.417 6.782 -2.928 1.00 0.00 C ATOM 276 CE3 TRP A 22 -6.457 4.400 -3.328 1.00 0.00 C ATOM 277 CZ2 TRP A 22 -5.025 6.809 -2.960 1.00 0.00 C ATOM 278 CZ3 TRP A 22 -5.076 4.429 -3.360 1.00 0.00 C ATOM 279 CH2 TRP A 22 -4.372 5.627 -3.176 1.00 0.00 C ATOM 0 H TRP A 22 -11.083 6.648 -4.374 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.273 4.597 -5.209 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.539 5.390 -2.565 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.436 4.036 -2.704 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.497 7.853 -2.665 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.082 8.775 -2.574 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.991 3.472 -3.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -4.480 7.731 -2.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.530 3.513 -3.530 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.292 5.616 -3.205 1.00 0.00 H new ATOM 290 N CYS A 23 -10.470 2.380 -4.692 1.00 0.00 N ATOM 291 CA CYS A 23 -11.234 1.140 -4.772 1.00 0.00 C ATOM 292 C CYS A 23 -10.663 0.088 -3.827 1.00 0.00 C ATOM 293 O CYS A 23 -9.534 -0.372 -4.002 1.00 0.00 O ATOM 294 CB CYS A 23 -11.235 0.609 -6.206 1.00 0.00 C ATOM 295 SG CYS A 23 -11.612 1.860 -7.456 1.00 0.00 S ATOM 0 H CYS A 23 -9.459 2.250 -4.653 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.260 1.354 -4.471 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.258 0.177 -6.423 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.964 -0.197 -6.283 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.817 1.281 -8.602 1.00 0.00 H new ATOM 301 N VAL A 24 -11.449 -0.289 -2.824 1.00 0.00 N ATOM 302 CA VAL A 24 -11.022 -1.287 -1.851 1.00 0.00 C ATOM 303 C VAL A 24 -10.824 -2.648 -2.509 1.00 0.00 C ATOM 304 O VAL A 24 -11.732 -3.176 -3.153 1.00 0.00 O ATOM 305 CB VAL A 24 -12.042 -1.427 -0.705 1.00 0.00 C ATOM 306 CG1 VAL A 24 -11.545 -2.419 0.335 1.00 0.00 C ATOM 307 CG2 VAL A 24 -12.320 -0.072 -0.071 1.00 0.00 C ATOM 0 H VAL A 24 -12.386 0.082 -2.664 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.072 -0.943 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.976 -1.808 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.279 -2.504 1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.402 -3.394 -0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.598 -2.071 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.043 -0.190 0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.393 0.340 0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.724 0.606 -0.823 1.00 0.00 H new ATOM 317 N VAL A 25 -9.632 -3.212 -2.344 1.00 0.00 N ATOM 318 CA VAL A 25 -9.315 -4.513 -2.921 1.00 0.00 C ATOM 319 C VAL A 25 -8.805 -5.477 -1.856 1.00 0.00 C ATOM 320 O VAL A 25 -7.836 -5.187 -1.155 1.00 0.00 O ATOM 321 CB VAL A 25 -8.259 -4.390 -4.035 1.00 0.00 C ATOM 322 CG1 VAL A 25 -8.012 -5.741 -4.688 1.00 0.00 C ATOM 323 CG2 VAL A 25 -8.691 -3.360 -5.068 1.00 0.00 C ATOM 0 H VAL A 25 -8.870 -2.788 -1.815 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.239 -4.904 -3.348 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.323 -4.052 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.263 -5.634 -5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.655 -6.447 -3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.941 -6.111 -5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.933 -3.286 -5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.639 -3.665 -5.511 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.811 -2.390 -4.586 1.00 0.00 H new ATOM 333 N TRP A 26 -9.464 -6.624 -1.740 1.00 0.00 N ATOM 334 CA TRP A 26 -9.076 -7.632 -0.760 1.00 0.00 C ATOM 335 C TRP A 26 -8.120 -8.649 -1.374 1.00 0.00 C ATOM 336 O TRP A 26 -7.958 -8.708 -2.593 1.00 0.00 O ATOM 337 CB TRP A 26 -10.315 -8.344 -0.213 1.00 0.00 C ATOM 338 CG TRP A 26 -11.158 -7.475 0.670 1.00 0.00 C ATOM 339 CD1 TRP A 26 -11.141 -7.432 2.035 1.00 0.00 C ATOM 340 CD2 TRP A 26 -12.142 -6.524 0.249 1.00 0.00 C ATOM 341 NE1 TRP A 26 -12.056 -6.513 2.488 1.00 0.00 N ATOM 342 CE2 TRP A 26 -12.683 -5.941 1.412 1.00 0.00 C ATOM 343 CE3 TRP A 26 -12.618 -6.107 -0.997 1.00 0.00 C ATOM 344 CZ2 TRP A 26 -13.675 -4.966 1.364 1.00 0.00 C ATOM 345 CZ3 TRP A 26 -13.603 -5.139 -1.043 1.00 0.00 C ATOM 346 CH2 TRP A 26 -14.123 -4.577 0.131 1.00 0.00 C ATOM 0 H TRP A 26 -10.269 -6.879 -2.312 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.563 -7.128 0.059 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -10.920 -8.697 -1.048 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -10.001 -9.224 0.348 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -10.502 -8.032 2.666 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -12.239 -6.292 3.467 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -12.223 -6.534 -1.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -14.077 -4.532 2.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -13.979 -4.810 -2.000 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.892 -3.822 0.061 1.00 0.00 H new ATOM 357 N THR A 27 -7.488 -9.450 -0.522 1.00 0.00 N ATOM 358 CA THR A 27 -6.547 -10.464 -0.981 1.00 0.00 C ATOM 359 C THR A 27 -6.813 -11.806 -0.307 1.00 0.00 C ATOM 360 O THR A 27 -7.726 -11.933 0.507 1.00 0.00 O ATOM 361 CB THR A 27 -5.091 -10.045 -0.707 1.00 0.00 C ATOM 362 OG1 THR A 27 -4.941 -9.662 0.665 1.00 0.00 O ATOM 363 CG2 THR A 27 -4.682 -8.890 -1.608 1.00 0.00 C ATOM 0 H THR A 27 -7.611 -9.416 0.490 1.00 0.00 H new ATOM 0 HA THR A 27 -6.692 -10.565 -2.057 1.00 0.00 H new ATOM 0 HB THR A 27 -4.445 -10.897 -0.919 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.491 -8.793 0.715 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.650 -8.611 -1.396 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.769 -9.194 -2.651 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.334 -8.036 -1.423 1.00 0.00 H new ATOM 371 N GLY A 28 -6.007 -12.806 -0.652 1.00 0.00 N ATOM 372 CA GLY A 28 -6.172 -14.125 -0.071 1.00 0.00 C ATOM 373 C GLY A 28 -5.523 -14.242 1.294 1.00 0.00 C ATOM 374 O GLY A 28 -5.809 -15.173 2.048 1.00 0.00 O ATOM 0 H GLY A 28 -5.243 -12.726 -1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.235 -14.351 0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.741 -14.870 -0.740 1.00 0.00 H new ATOM 378 N ASP A 29 -4.645 -13.298 1.613 1.00 0.00 N ATOM 379 CA ASP A 29 -3.952 -13.299 2.896 1.00 0.00 C ATOM 380 C ASP A 29 -4.721 -12.482 3.929 1.00 0.00 C ATOM 381 O ASP A 29 -4.129 -11.740 4.713 1.00 0.00 O ATOM 382 CB ASP A 29 -2.537 -12.740 2.737 1.00 0.00 C ATOM 383 CG ASP A 29 -1.577 -13.292 3.772 1.00 0.00 C ATOM 384 OD1 ASP A 29 -2.032 -13.622 4.888 1.00 0.00 O ATOM 385 OD2 ASP A 29 -0.371 -13.395 3.467 1.00 0.00 O ATOM 0 H ASP A 29 -4.396 -12.521 1.000 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.890 -14.329 3.246 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.166 -12.976 1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.568 -11.653 2.817 1.00 0.00 H new ATOM 390 N GLU A 30 -6.043 -12.623 3.924 1.00 0.00 N ATOM 391 CA GLU A 30 -6.893 -11.896 4.860 1.00 0.00 C ATOM 392 C GLU A 30 -6.440 -10.445 4.991 1.00 0.00 C ATOM 393 O GLU A 30 -6.343 -9.911 6.096 1.00 0.00 O ATOM 394 CB GLU A 30 -6.874 -12.573 6.232 1.00 0.00 C ATOM 395 CG GLU A 30 -7.508 -13.954 6.238 1.00 0.00 C ATOM 396 CD GLU A 30 -7.651 -14.525 7.635 1.00 0.00 C ATOM 397 OE1 GLU A 30 -8.475 -13.997 8.411 1.00 0.00 O ATOM 398 OE2 GLU A 30 -6.938 -15.500 7.953 1.00 0.00 O ATOM 0 H GLU A 30 -6.548 -13.234 3.282 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.911 -11.908 4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.842 -12.655 6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.397 -11.939 6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.491 -13.900 5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.903 -14.630 5.634 1.00 0.00 H new ATOM 405 N ARG A 31 -6.163 -9.813 3.855 1.00 0.00 N ATOM 406 CA ARG A 31 -5.719 -8.424 3.842 1.00 0.00 C ATOM 407 C ARG A 31 -6.545 -7.598 2.860 1.00 0.00 C ATOM 408 O ARG A 31 -7.481 -8.104 2.242 1.00 0.00 O ATOM 409 CB ARG A 31 -4.237 -8.344 3.472 1.00 0.00 C ATOM 410 CG ARG A 31 -3.305 -8.413 4.670 1.00 0.00 C ATOM 411 CD ARG A 31 -1.926 -7.864 4.337 1.00 0.00 C ATOM 412 NE ARG A 31 -0.895 -8.401 5.221 1.00 0.00 N ATOM 413 CZ ARG A 31 0.382 -8.039 5.164 1.00 0.00 C ATOM 414 NH1 ARG A 31 0.782 -7.144 4.271 1.00 0.00 N ATOM 415 NH2 ARG A 31 1.262 -8.572 6.003 1.00 0.00 N ATOM 0 H ARG A 31 -6.238 -10.241 2.932 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.860 -8.014 4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.997 -9.159 2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.055 -7.413 2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.733 -7.847 5.498 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.215 -9.447 5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.679 -8.106 3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.940 -6.777 4.415 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.170 -9.091 5.920 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.109 -6.731 3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.763 -6.868 4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.958 -9.260 6.692 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.242 -8.294 5.959 1.00 0.00 H new ATOM 429 N VAL A 32 -6.191 -6.324 2.723 1.00 0.00 N ATOM 430 CA VAL A 32 -6.899 -5.428 1.817 1.00 0.00 C ATOM 431 C VAL A 32 -6.114 -4.141 1.592 1.00 0.00 C ATOM 432 O VAL A 32 -5.549 -3.574 2.528 1.00 0.00 O ATOM 433 CB VAL A 32 -8.298 -5.075 2.355 1.00 0.00 C ATOM 434 CG1 VAL A 32 -8.198 -4.469 3.747 1.00 0.00 C ATOM 435 CG2 VAL A 32 -9.012 -4.128 1.403 1.00 0.00 C ATOM 0 H VAL A 32 -5.418 -5.890 3.228 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.005 -5.956 0.869 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.883 -5.992 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.196 -4.226 4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.730 -5.185 4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.596 -3.561 3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.999 -3.889 1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.432 -3.211 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.118 -4.604 0.428 1.00 0.00 H new ATOM 445 N PHE A 33 -6.083 -3.683 0.345 1.00 0.00 N ATOM 446 CA PHE A 33 -5.366 -2.462 -0.004 1.00 0.00 C ATOM 447 C PHE A 33 -6.266 -1.505 -0.779 1.00 0.00 C ATOM 448 O PHE A 33 -7.400 -1.842 -1.121 1.00 0.00 O ATOM 449 CB PHE A 33 -4.122 -2.794 -0.832 1.00 0.00 C ATOM 450 CG PHE A 33 -4.435 -3.455 -2.144 1.00 0.00 C ATOM 451 CD1 PHE A 33 -4.741 -4.805 -2.198 1.00 0.00 C ATOM 452 CD2 PHE A 33 -4.422 -2.726 -3.322 1.00 0.00 C ATOM 453 CE1 PHE A 33 -5.030 -5.417 -3.404 1.00 0.00 C ATOM 454 CE2 PHE A 33 -4.710 -3.333 -4.530 1.00 0.00 C ATOM 455 CZ PHE A 33 -5.013 -4.679 -4.571 1.00 0.00 C ATOM 0 H PHE A 33 -6.546 -4.139 -0.441 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.059 -1.974 0.921 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.565 -1.876 -1.020 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.472 -3.448 -0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.754 -5.386 -1.288 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.184 -1.673 -3.296 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.268 -6.470 -3.433 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.698 -2.754 -5.442 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.237 -5.154 -5.515 1.00 0.00 H new ATOM 465 N PHE A 34 -5.754 -0.310 -1.052 1.00 0.00 N ATOM 466 CA PHE A 34 -6.511 0.698 -1.785 1.00 0.00 C ATOM 467 C PHE A 34 -5.906 0.936 -3.166 1.00 0.00 C ATOM 468 O PHE A 34 -4.700 1.146 -3.299 1.00 0.00 O ATOM 469 CB PHE A 34 -6.549 2.010 -0.999 1.00 0.00 C ATOM 470 CG PHE A 34 -6.871 1.829 0.456 1.00 0.00 C ATOM 471 CD1 PHE A 34 -5.942 1.272 1.321 1.00 0.00 C ATOM 472 CD2 PHE A 34 -8.103 2.214 0.960 1.00 0.00 C ATOM 473 CE1 PHE A 34 -6.237 1.103 2.661 1.00 0.00 C ATOM 474 CE2 PHE A 34 -8.403 2.048 2.299 1.00 0.00 C ATOM 475 CZ PHE A 34 -7.468 1.493 3.150 1.00 0.00 C ATOM 0 H PHE A 34 -4.817 -0.016 -0.776 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.529 0.330 -1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.583 2.506 -1.090 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.291 2.671 -1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.977 0.967 0.944 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.838 2.649 0.299 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.505 0.666 3.325 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.367 2.352 2.679 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.699 1.364 4.197 1.00 0.00 H new ATOM 485 N TYR A 35 -6.751 0.900 -4.190 1.00 0.00 N ATOM 486 CA TYR A 35 -6.300 1.108 -5.560 1.00 0.00 C ATOM 487 C TYR A 35 -6.988 2.320 -6.182 1.00 0.00 C ATOM 488 O TYR A 35 -8.087 2.698 -5.779 1.00 0.00 O ATOM 489 CB TYR A 35 -6.575 -0.137 -6.405 1.00 0.00 C ATOM 490 CG TYR A 35 -6.382 0.082 -7.888 1.00 0.00 C ATOM 491 CD1 TYR A 35 -5.167 0.528 -8.392 1.00 0.00 C ATOM 492 CD2 TYR A 35 -7.416 -0.156 -8.786 1.00 0.00 C ATOM 493 CE1 TYR A 35 -4.986 0.731 -9.746 1.00 0.00 C ATOM 494 CE2 TYR A 35 -7.243 0.042 -10.142 1.00 0.00 C ATOM 495 CZ TYR A 35 -6.027 0.486 -10.618 1.00 0.00 C ATOM 496 OH TYR A 35 -5.852 0.686 -11.968 1.00 0.00 O ATOM 0 H TYR A 35 -7.752 0.729 -4.097 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.226 1.294 -5.537 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.917 -0.941 -6.077 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.598 -0.469 -6.226 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.349 0.719 -7.713 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.371 -0.501 -8.417 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.035 1.080 -10.120 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.056 -0.150 -10.826 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.681 0.466 -12.441 1.00 0.00 H new ATOM 506 N ASN A 36 -6.331 2.924 -7.167 1.00 0.00 N ATOM 507 CA ASN A 36 -6.878 4.093 -7.846 1.00 0.00 C ATOM 508 C ASN A 36 -6.770 3.943 -9.360 1.00 0.00 C ATOM 509 O ASN A 36 -5.729 4.205 -9.962 1.00 0.00 O ATOM 510 CB ASN A 36 -6.148 5.359 -7.394 1.00 0.00 C ATOM 511 CG ASN A 36 -6.825 6.624 -7.886 1.00 0.00 C ATOM 512 OD1 ASN A 36 -7.182 6.734 -9.059 1.00 0.00 O ATOM 513 ND2 ASN A 36 -7.003 7.586 -6.989 1.00 0.00 N ATOM 0 H ASN A 36 -5.420 2.623 -7.513 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.932 4.176 -7.582 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.098 5.377 -6.305 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.122 5.334 -7.760 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.452 8.460 -7.261 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.691 7.451 -6.027 1.00 0.00 H new ATOM 520 N PRO A 37 -7.872 3.511 -9.992 1.00 0.00 N ATOM 521 CA PRO A 37 -7.927 3.318 -11.445 1.00 0.00 C ATOM 522 C PRO A 37 -7.887 4.637 -12.207 1.00 0.00 C ATOM 523 O PRO A 37 -7.888 4.656 -13.439 1.00 0.00 O ATOM 524 CB PRO A 37 -9.271 2.617 -11.658 1.00 0.00 C ATOM 525 CG PRO A 37 -10.102 3.027 -10.491 1.00 0.00 C ATOM 526 CD PRO A 37 -9.149 3.180 -9.338 1.00 0.00 C ATOM 0 HA PRO A 37 -7.072 2.752 -11.814 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.731 2.921 -12.598 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.151 1.534 -11.697 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.624 3.962 -10.693 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.863 2.278 -10.272 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.467 3.968 -8.656 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.075 2.263 -8.753 1.00 0.00 H new ATOM 534 N THR A 38 -7.853 5.742 -11.468 1.00 0.00 N ATOM 535 CA THR A 38 -7.813 7.067 -12.075 1.00 0.00 C ATOM 536 C THR A 38 -6.389 7.609 -12.119 1.00 0.00 C ATOM 537 O THR A 38 -6.016 8.328 -13.047 1.00 0.00 O ATOM 538 CB THR A 38 -8.706 8.062 -11.310 1.00 0.00 C ATOM 539 OG1 THR A 38 -10.023 7.520 -11.156 1.00 0.00 O ATOM 540 CG2 THR A 38 -8.783 9.393 -12.042 1.00 0.00 C ATOM 0 H THR A 38 -7.852 5.745 -10.448 1.00 0.00 H new ATOM 0 HA THR A 38 -8.189 6.960 -13.092 1.00 0.00 H new ATOM 0 HB THR A 38 -8.265 8.230 -10.327 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.584 8.158 -10.667 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.419 10.079 -11.483 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.783 9.817 -12.132 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.202 9.238 -13.036 1.00 0.00 H new ATOM 548 N THR A 39 -5.596 7.260 -11.111 1.00 0.00 N ATOM 549 CA THR A 39 -4.213 7.713 -11.034 1.00 0.00 C ATOM 550 C THR A 39 -3.248 6.532 -11.027 1.00 0.00 C ATOM 551 O THR A 39 -2.088 6.669 -10.638 1.00 0.00 O ATOM 552 CB THR A 39 -3.970 8.568 -9.776 1.00 0.00 C ATOM 553 OG1 THR A 39 -4.225 7.792 -8.600 1.00 0.00 O ATOM 554 CG2 THR A 39 -4.862 9.800 -9.779 1.00 0.00 C ATOM 0 H THR A 39 -5.888 6.665 -10.336 1.00 0.00 H new ATOM 0 HA THR A 39 -4.031 8.323 -11.919 1.00 0.00 H new ATOM 0 HB THR A 39 -2.929 8.892 -9.779 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.067 8.342 -7.804 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.673 10.388 -8.881 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.646 10.404 -10.661 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.907 9.492 -9.797 1.00 0.00 H new ATOM 562 N ARG A 40 -3.735 5.374 -11.460 1.00 0.00 N ATOM 563 CA ARG A 40 -2.914 4.169 -11.502 1.00 0.00 C ATOM 564 C ARG A 40 -2.043 4.060 -10.254 1.00 0.00 C ATOM 565 O ARG A 40 -0.881 3.658 -10.328 1.00 0.00 O ATOM 566 CB ARG A 40 -2.034 4.170 -12.753 1.00 0.00 C ATOM 567 CG ARG A 40 -2.822 4.201 -14.053 1.00 0.00 C ATOM 568 CD ARG A 40 -1.902 4.172 -15.263 1.00 0.00 C ATOM 569 NE ARG A 40 -2.597 3.729 -16.468 1.00 0.00 N ATOM 570 CZ ARG A 40 -3.097 2.508 -16.621 1.00 0.00 C ATOM 571 NH1 ARG A 40 -2.980 1.613 -15.650 1.00 0.00 N ATOM 572 NH2 ARG A 40 -3.716 2.179 -17.748 1.00 0.00 N ATOM 0 H ARG A 40 -4.693 5.244 -11.786 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.580 3.307 -11.535 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.371 5.034 -12.719 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.402 3.282 -12.743 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.500 3.348 -14.089 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.438 5.099 -14.085 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.489 5.167 -15.428 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.062 3.507 -15.064 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.705 4.393 -17.234 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.505 1.861 -14.782 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.365 0.676 -15.771 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.808 2.864 -18.498 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.099 1.241 -17.864 1.00 0.00 H new ATOM 586 N LEU A 41 -2.612 4.421 -9.109 1.00 0.00 N ATOM 587 CA LEU A 41 -1.887 4.365 -7.844 1.00 0.00 C ATOM 588 C LEU A 41 -2.351 3.180 -7.003 1.00 0.00 C ATOM 589 O LEU A 41 -3.550 2.968 -6.818 1.00 0.00 O ATOM 590 CB LEU A 41 -2.082 5.666 -7.064 1.00 0.00 C ATOM 591 CG LEU A 41 -0.948 6.057 -6.116 1.00 0.00 C ATOM 592 CD1 LEU A 41 -0.953 5.168 -4.882 1.00 0.00 C ATOM 593 CD2 LEU A 41 0.394 5.975 -6.829 1.00 0.00 C ATOM 0 H LEU A 41 -3.572 4.755 -9.030 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.828 4.237 -8.066 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.227 6.476 -7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.001 5.584 -6.484 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.106 7.087 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.139 5.461 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.903 5.276 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.820 4.129 -5.182 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.190 6.257 -6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.559 4.955 -7.177 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.395 6.654 -7.682 1.00 0.00 H new ATOM 605 N SER A 42 -1.394 2.410 -6.495 1.00 0.00 N ATOM 606 CA SER A 42 -1.704 1.245 -5.675 1.00 0.00 C ATOM 607 C SER A 42 -0.803 1.191 -4.445 1.00 0.00 C ATOM 608 O SER A 42 0.395 0.930 -4.551 1.00 0.00 O ATOM 609 CB SER A 42 -1.546 -0.038 -6.494 1.00 0.00 C ATOM 610 OG SER A 42 -0.191 -0.255 -6.845 1.00 0.00 O ATOM 0 H SER A 42 -0.397 2.572 -6.637 1.00 0.00 H new ATOM 0 HA SER A 42 -2.739 1.330 -5.342 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.917 -0.887 -5.920 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.153 0.026 -7.397 1.00 0.00 H new ATOM 0 HG SER A 42 0.385 -0.017 -6.089 1.00 0.00 H new ATOM 616 N MET A 43 -1.389 1.440 -3.279 1.00 0.00 N ATOM 617 CA MET A 43 -0.641 1.419 -2.028 1.00 0.00 C ATOM 618 C MET A 43 -1.009 0.195 -1.194 1.00 0.00 C ATOM 619 O MET A 43 -1.896 -0.574 -1.563 1.00 0.00 O ATOM 620 CB MET A 43 -0.908 2.695 -1.227 1.00 0.00 C ATOM 621 CG MET A 43 -0.845 3.962 -2.064 1.00 0.00 C ATOM 622 SD MET A 43 -0.303 5.396 -1.115 1.00 0.00 S ATOM 623 CE MET A 43 -1.068 5.062 0.470 1.00 0.00 C ATOM 0 H MET A 43 -2.380 1.659 -3.174 1.00 0.00 H new ATOM 0 HA MET A 43 0.420 1.366 -2.270 1.00 0.00 H new ATOM 0 HB2 MET A 43 -1.892 2.624 -0.764 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.180 2.766 -0.419 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.164 3.806 -2.901 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.829 4.162 -2.487 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.152 5.990 1.036 1.00 0.00 H new ATOM 0 HE2 MET A 43 -2.061 4.642 0.313 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.457 4.351 1.026 1.00 0.00 H new ATOM 633 N TRP A 44 -0.322 0.022 -0.071 1.00 0.00 N ATOM 634 CA TRP A 44 -0.577 -1.109 0.814 1.00 0.00 C ATOM 635 C TRP A 44 -1.307 -0.659 2.075 1.00 0.00 C ATOM 636 O TRP A 44 -1.856 -1.479 2.811 1.00 0.00 O ATOM 637 CB TRP A 44 0.736 -1.797 1.188 1.00 0.00 C ATOM 638 CG TRP A 44 1.119 -2.897 0.246 1.00 0.00 C ATOM 639 CD1 TRP A 44 2.172 -2.902 -0.625 1.00 0.00 C ATOM 640 CD2 TRP A 44 0.453 -4.153 0.078 1.00 0.00 C ATOM 641 NE1 TRP A 44 2.199 -4.085 -1.323 1.00 0.00 N ATOM 642 CE2 TRP A 44 1.156 -4.870 -0.910 1.00 0.00 C ATOM 643 CE3 TRP A 44 -0.669 -4.743 0.668 1.00 0.00 C ATOM 644 CZ2 TRP A 44 0.772 -6.144 -1.320 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -1.049 -6.007 0.260 1.00 0.00 C ATOM 646 CH2 TRP A 44 -0.330 -6.697 -0.725 1.00 0.00 C ATOM 0 H TRP A 44 0.416 0.650 0.249 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.211 -1.818 0.283 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.533 -1.054 1.211 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.650 -2.204 2.195 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.879 -2.095 -0.747 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.885 -4.338 -2.034 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.229 -4.220 1.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.324 -6.677 -2.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.915 -6.471 0.708 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.652 -7.685 -1.021 1.00 0.00 H new ATOM 657 N ASP A 45 -1.309 0.647 2.318 1.00 0.00 N ATOM 658 CA ASP A 45 -1.973 1.205 3.491 1.00 0.00 C ATOM 659 C ASP A 45 -3.017 2.240 3.083 1.00 0.00 C ATOM 660 O ASP A 45 -3.101 2.625 1.916 1.00 0.00 O ATOM 661 CB ASP A 45 -0.947 1.840 4.430 1.00 0.00 C ATOM 662 CG ASP A 45 -0.248 0.815 5.302 1.00 0.00 C ATOM 663 OD1 ASP A 45 0.718 0.188 4.820 1.00 0.00 O ATOM 664 OD2 ASP A 45 -0.667 0.640 6.465 1.00 0.00 O ATOM 0 H ASP A 45 -0.859 1.339 1.719 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.478 0.392 4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.205 2.379 3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.444 2.574 5.064 1.00 0.00 H new ATOM 669 N ARG A 46 -3.810 2.686 4.051 1.00 0.00 N ATOM 670 CA ARG A 46 -4.850 3.675 3.792 1.00 0.00 C ATOM 671 C ARG A 46 -4.250 5.071 3.651 1.00 0.00 C ATOM 672 O ARG A 46 -3.745 5.656 4.610 1.00 0.00 O ATOM 673 CB ARG A 46 -5.886 3.665 4.918 1.00 0.00 C ATOM 674 CG ARG A 46 -7.158 4.426 4.582 1.00 0.00 C ATOM 675 CD ARG A 46 -7.064 5.882 5.009 1.00 0.00 C ATOM 676 NE ARG A 46 -7.324 6.053 6.436 1.00 0.00 N ATOM 677 CZ ARG A 46 -8.544 6.139 6.956 1.00 0.00 C ATOM 678 NH1 ARG A 46 -9.609 6.071 6.170 1.00 0.00 N ATOM 679 NH2 ARG A 46 -8.699 6.293 8.264 1.00 0.00 N ATOM 0 H ARG A 46 -3.753 2.379 5.022 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.340 3.412 2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.142 2.632 5.155 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.440 4.097 5.814 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.344 4.371 3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.007 3.954 5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.071 6.265 4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.778 6.474 4.437 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.525 6.110 7.068 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.493 5.952 5.164 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.544 6.137 6.572 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.882 6.346 8.872 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.636 6.359 8.662 1.00 0.00 H new ATOM 693 N PRO A 47 -4.305 5.619 2.428 1.00 0.00 N ATOM 694 CA PRO A 47 -3.771 6.952 2.133 1.00 0.00 C ATOM 695 C PRO A 47 -4.598 8.062 2.774 1.00 0.00 C ATOM 696 O PRO A 47 -5.746 7.848 3.162 1.00 0.00 O ATOM 697 CB PRO A 47 -3.854 7.037 0.607 1.00 0.00 C ATOM 698 CG PRO A 47 -4.946 6.095 0.234 1.00 0.00 C ATOM 699 CD PRO A 47 -4.892 4.979 1.239 1.00 0.00 C ATOM 0 HA PRO A 47 -2.763 7.084 2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.077 8.052 0.279 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.910 6.752 0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.915 6.593 0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.805 5.716 -0.778 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.884 4.577 1.447 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.280 4.149 0.886 1.00 0.00 H new ATOM 707 N ASP A 48 -4.006 9.246 2.882 1.00 0.00 N ATOM 708 CA ASP A 48 -4.689 10.391 3.474 1.00 0.00 C ATOM 709 C ASP A 48 -5.962 10.723 2.703 1.00 0.00 C ATOM 710 O ASP A 48 -7.015 10.959 3.296 1.00 0.00 O ATOM 711 CB ASP A 48 -3.762 11.607 3.501 1.00 0.00 C ATOM 712 CG ASP A 48 -2.796 11.625 2.333 1.00 0.00 C ATOM 713 OD1 ASP A 48 -3.265 11.617 1.176 1.00 0.00 O ATOM 714 OD2 ASP A 48 -1.571 11.645 2.575 1.00 0.00 O ATOM 0 H ASP A 48 -3.055 9.438 2.568 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.963 10.130 4.496 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.361 12.517 3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.199 11.610 4.434 1.00 0.00 H new ATOM 719 N ASP A 49 -5.858 10.742 1.379 1.00 0.00 N ATOM 720 CA ASP A 49 -7.001 11.046 0.526 1.00 0.00 C ATOM 721 C ASP A 49 -8.268 10.386 1.060 1.00 0.00 C ATOM 722 O ASP A 49 -9.379 10.855 0.807 1.00 0.00 O ATOM 723 CB ASP A 49 -6.733 10.580 -0.907 1.00 0.00 C ATOM 724 CG ASP A 49 -5.879 11.561 -1.684 1.00 0.00 C ATOM 725 OD1 ASP A 49 -6.368 12.672 -1.978 1.00 0.00 O ATOM 726 OD2 ASP A 49 -4.720 11.219 -1.998 1.00 0.00 O ATOM 0 H ASP A 49 -4.993 10.550 0.873 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.147 12.126 0.527 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.237 9.610 -0.884 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.682 10.440 -1.424 1.00 0.00 H new ATOM 731 N LEU A 50 -8.095 9.296 1.799 1.00 0.00 N ATOM 732 CA LEU A 50 -9.225 8.571 2.369 1.00 0.00 C ATOM 733 C LEU A 50 -9.364 8.862 3.860 1.00 0.00 C ATOM 734 O LEU A 50 -10.470 8.872 4.401 1.00 0.00 O ATOM 735 CB LEU A 50 -9.056 7.067 2.146 1.00 0.00 C ATOM 736 CG LEU A 50 -9.250 6.576 0.711 1.00 0.00 C ATOM 737 CD1 LEU A 50 -9.094 5.065 0.638 1.00 0.00 C ATOM 738 CD2 LEU A 50 -10.613 6.999 0.182 1.00 0.00 C ATOM 0 H LEU A 50 -7.183 8.895 2.018 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.131 8.908 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.057 6.781 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.765 6.543 2.787 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.482 7.031 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.235 4.734 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.096 4.786 0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.839 4.591 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.734 6.641 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.395 6.573 0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.688 8.086 0.197 1.00 0.00 H new ATOM 750 N ILE A 51 -8.234 9.102 4.518 1.00 0.00 N ATOM 751 CA ILE A 51 -8.230 9.397 5.945 1.00 0.00 C ATOM 752 C ILE A 51 -9.265 10.464 6.289 1.00 0.00 C ATOM 753 O ILE A 51 -9.176 11.601 5.829 1.00 0.00 O ATOM 754 CB ILE A 51 -6.844 9.872 6.418 1.00 0.00 C ATOM 755 CG1 ILE A 51 -5.827 8.733 6.311 1.00 0.00 C ATOM 756 CG2 ILE A 51 -6.920 10.388 7.847 1.00 0.00 C ATOM 757 CD1 ILE A 51 -4.409 9.158 6.621 1.00 0.00 C ATOM 0 H ILE A 51 -7.310 9.098 4.085 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.482 8.470 6.459 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.517 10.689 5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.116 7.934 6.994 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.862 8.319 5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.932 10.720 8.167 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.617 11.224 7.895 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.265 9.590 8.504 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.743 8.300 6.525 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.101 9.936 5.922 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.359 9.544 7.639 1.00 0.00 H new ATOM 769 N GLY A 52 -10.246 10.088 7.104 1.00 0.00 N ATOM 770 CA GLY A 52 -11.283 11.024 7.497 1.00 0.00 C ATOM 771 C GLY A 52 -12.669 10.552 7.107 1.00 0.00 C ATOM 772 O GLY A 52 -13.640 10.796 7.823 1.00 0.00 O ATOM 0 H GLY A 52 -10.341 9.152 7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.244 11.173 8.576 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.089 11.992 7.035 1.00 0.00 H new ATOM 776 N ARG A 53 -12.763 9.875 5.967 1.00 0.00 N ATOM 777 CA ARG A 53 -14.041 9.370 5.481 1.00 0.00 C ATOM 778 C ARG A 53 -14.440 8.098 6.222 1.00 0.00 C ATOM 779 O ARG A 53 -13.591 7.280 6.575 1.00 0.00 O ATOM 780 CB ARG A 53 -13.967 9.095 3.978 1.00 0.00 C ATOM 781 CG ARG A 53 -13.630 10.325 3.150 1.00 0.00 C ATOM 782 CD ARG A 53 -13.899 10.092 1.671 1.00 0.00 C ATOM 783 NE ARG A 53 -14.235 11.330 0.974 1.00 0.00 N ATOM 784 CZ ARG A 53 -15.418 11.928 1.068 1.00 0.00 C ATOM 785 NH1 ARG A 53 -16.371 11.404 1.825 1.00 0.00 N ATOM 786 NH2 ARG A 53 -15.648 13.054 0.403 1.00 0.00 N ATOM 0 H ARG A 53 -11.969 9.664 5.363 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.798 10.132 5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.216 8.327 3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.923 8.693 3.643 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.220 11.173 3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.581 10.585 3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.020 9.643 1.209 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.716 9.380 1.559 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.523 11.759 0.383 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.198 10.539 2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.278 11.865 1.895 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.917 13.460 -0.180 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.556 13.513 0.475 1.00 0.00 H new ATOM 800 N ALA A 54 -15.739 7.937 6.455 1.00 0.00 N ATOM 801 CA ALA A 54 -16.251 6.764 7.153 1.00 0.00 C ATOM 802 C ALA A 54 -16.511 5.618 6.182 1.00 0.00 C ATOM 803 O ALA A 54 -16.274 4.453 6.504 1.00 0.00 O ATOM 804 CB ALA A 54 -17.522 7.115 7.912 1.00 0.00 C ATOM 0 H ALA A 54 -16.456 8.604 6.170 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.494 6.436 7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.893 6.230 8.429 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.307 7.897 8.640 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.278 7.470 7.211 1.00 0.00 H new ATOM 810 N ASP A 55 -16.999 5.955 4.993 1.00 0.00 N ATOM 811 CA ASP A 55 -17.291 4.953 3.974 1.00 0.00 C ATOM 812 C ASP A 55 -16.107 4.011 3.784 1.00 0.00 C ATOM 813 O ASP A 55 -16.242 2.793 3.909 1.00 0.00 O ATOM 814 CB ASP A 55 -17.638 5.630 2.648 1.00 0.00 C ATOM 815 CG ASP A 55 -18.734 6.668 2.796 1.00 0.00 C ATOM 816 OD1 ASP A 55 -19.579 6.512 3.703 1.00 0.00 O ATOM 817 OD2 ASP A 55 -18.747 7.635 2.006 1.00 0.00 O ATOM 0 H ASP A 55 -17.201 6.914 4.711 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.147 4.368 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.745 6.105 2.241 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.953 4.874 1.929 1.00 0.00 H new ATOM 822 N VAL A 56 -14.945 4.581 3.479 1.00 0.00 N ATOM 823 CA VAL A 56 -13.737 3.793 3.271 1.00 0.00 C ATOM 824 C VAL A 56 -13.602 2.704 4.330 1.00 0.00 C ATOM 825 O VAL A 56 -13.278 1.558 4.019 1.00 0.00 O ATOM 826 CB VAL A 56 -12.477 4.678 3.298 1.00 0.00 C ATOM 827 CG1 VAL A 56 -12.479 5.572 4.529 1.00 0.00 C ATOM 828 CG2 VAL A 56 -11.222 3.820 3.254 1.00 0.00 C ATOM 0 H VAL A 56 -14.816 5.587 3.371 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.826 3.331 2.288 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.484 5.316 2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.581 6.190 4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.361 6.213 4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.497 4.955 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.341 4.462 3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.206 3.155 4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.218 3.227 2.339 1.00 0.00 H new ATOM 838 N ASP A 57 -13.854 3.070 5.582 1.00 0.00 N ATOM 839 CA ASP A 57 -13.762 2.124 6.688 1.00 0.00 C ATOM 840 C ASP A 57 -14.856 1.065 6.589 1.00 0.00 C ATOM 841 O ASP A 57 -14.573 -0.130 6.498 1.00 0.00 O ATOM 842 CB ASP A 57 -13.866 2.859 8.025 1.00 0.00 C ATOM 843 CG ASP A 57 -13.098 2.161 9.130 1.00 0.00 C ATOM 844 OD1 ASP A 57 -13.648 1.212 9.729 1.00 0.00 O ATOM 845 OD2 ASP A 57 -11.945 2.562 9.396 1.00 0.00 O ATOM 0 H ASP A 57 -14.123 4.015 5.856 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.794 1.627 6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.487 3.874 7.909 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.915 2.941 8.311 1.00 0.00 H new ATOM 850 N LYS A 58 -16.108 1.511 6.609 1.00 0.00 N ATOM 851 CA LYS A 58 -17.245 0.603 6.521 1.00 0.00 C ATOM 852 C LYS A 58 -16.963 -0.531 5.541 1.00 0.00 C ATOM 853 O LYS A 58 -17.083 -1.706 5.886 1.00 0.00 O ATOM 854 CB LYS A 58 -18.500 1.365 6.088 1.00 0.00 C ATOM 855 CG LYS A 58 -19.768 0.531 6.144 1.00 0.00 C ATOM 856 CD LYS A 58 -20.964 1.297 5.603 1.00 0.00 C ATOM 857 CE LYS A 58 -22.247 0.491 5.735 1.00 0.00 C ATOM 858 NZ LYS A 58 -22.900 0.700 7.057 1.00 0.00 N ATOM 0 H LYS A 58 -16.360 2.496 6.685 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.411 0.172 7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.622 2.240 6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.360 1.730 5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.629 -0.383 5.567 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.962 0.231 7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -21.068 2.239 6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.795 1.545 4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.937 0.774 4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -22.026 -0.568 5.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -23.771 0.134 7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.251 0.406 7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -23.135 1.707 7.173 1.00 0.00 H new ATOM 872 N ILE A 59 -16.586 -0.170 4.319 1.00 0.00 N ATOM 873 CA ILE A 59 -16.283 -1.157 3.290 1.00 0.00 C ATOM 874 C ILE A 59 -15.313 -2.213 3.810 1.00 0.00 C ATOM 875 O ILE A 59 -15.588 -3.411 3.739 1.00 0.00 O ATOM 876 CB ILE A 59 -15.683 -0.497 2.035 1.00 0.00 C ATOM 877 CG1 ILE A 59 -16.653 0.539 1.463 1.00 0.00 C ATOM 878 CG2 ILE A 59 -15.349 -1.552 0.990 1.00 0.00 C ATOM 879 CD1 ILE A 59 -16.108 1.277 0.260 1.00 0.00 C ATOM 0 H ILE A 59 -16.483 0.799 4.017 1.00 0.00 H new ATOM 0 HA ILE A 59 -17.226 -1.634 3.023 1.00 0.00 H new ATOM 0 HB ILE A 59 -14.761 0.013 2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.581 0.041 1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -16.901 1.261 2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.926 -1.070 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -14.625 -2.255 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.256 -2.087 0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -16.848 1.995 -0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -15.196 1.804 0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -15.887 0.564 -0.535 1.00 0.00 H new ATOM 891 N ILE A 60 -14.179 -1.759 4.333 1.00 0.00 N ATOM 892 CA ILE A 60 -13.170 -2.665 4.868 1.00 0.00 C ATOM 893 C ILE A 60 -13.718 -3.469 6.041 1.00 0.00 C ATOM 894 O ILE A 60 -13.343 -4.623 6.244 1.00 0.00 O ATOM 895 CB ILE A 60 -11.914 -1.900 5.326 1.00 0.00 C ATOM 896 CG1 ILE A 60 -11.270 -1.176 4.142 1.00 0.00 C ATOM 897 CG2 ILE A 60 -10.921 -2.853 5.975 1.00 0.00 C ATOM 898 CD1 ILE A 60 -10.490 0.058 4.539 1.00 0.00 C ATOM 0 H ILE A 60 -13.936 -0.770 4.398 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.898 -3.346 4.061 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.210 -1.155 6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.604 -1.866 3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.048 -0.892 3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.039 -2.298 6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.384 -3.327 6.841 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.628 -3.618 5.256 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.062 0.520 3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.156 0.767 5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.689 -0.222 5.224 1.00 0.00 H new ATOM 910 N GLN A 61 -14.609 -2.851 6.810 1.00 0.00 N ATOM 911 CA GLN A 61 -15.210 -3.510 7.963 1.00 0.00 C ATOM 912 C GLN A 61 -16.077 -4.687 7.527 1.00 0.00 C ATOM 913 O GLN A 61 -15.948 -5.793 8.051 1.00 0.00 O ATOM 914 CB GLN A 61 -16.049 -2.515 8.767 1.00 0.00 C ATOM 915 CG GLN A 61 -15.241 -1.359 9.336 1.00 0.00 C ATOM 916 CD GLN A 61 -15.859 -0.777 10.592 1.00 0.00 C ATOM 917 OE1 GLN A 61 -16.615 0.194 10.533 1.00 0.00 O ATOM 918 NE2 GLN A 61 -15.542 -1.368 11.737 1.00 0.00 N ATOM 0 H GLN A 61 -14.930 -1.895 6.655 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.405 -3.888 8.593 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.837 -2.117 8.128 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.539 -3.043 9.585 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.230 -1.702 9.558 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.154 -0.576 8.582 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -14.912 -2.170 11.740 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -15.929 -1.020 12.615 1.00 0.00 H new ATOM 927 N GLU A 62 -16.961 -4.440 6.565 1.00 0.00 N ATOM 928 CA GLU A 62 -17.850 -5.479 6.060 1.00 0.00 C ATOM 929 C GLU A 62 -17.629 -5.706 4.567 1.00 0.00 C ATOM 930 O GLU A 62 -18.299 -5.118 3.718 1.00 0.00 O ATOM 931 CB GLU A 62 -19.310 -5.103 6.319 1.00 0.00 C ATOM 932 CG GLU A 62 -20.306 -6.005 5.610 1.00 0.00 C ATOM 933 CD GLU A 62 -21.632 -6.097 6.339 1.00 0.00 C ATOM 934 OE1 GLU A 62 -22.308 -5.055 6.474 1.00 0.00 O ATOM 935 OE2 GLU A 62 -21.995 -7.210 6.775 1.00 0.00 O ATOM 0 H GLU A 62 -17.080 -3.530 6.120 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.622 -6.405 6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -19.501 -5.138 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.473 -4.074 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -20.476 -5.630 4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.880 -7.003 5.511 1.00 0.00 H new ATOM 942 N PRO A 63 -16.666 -6.580 4.238 1.00 0.00 N ATOM 943 CA PRO A 63 -16.333 -6.905 2.848 1.00 0.00 C ATOM 944 C PRO A 63 -17.432 -7.709 2.162 1.00 0.00 C ATOM 945 O PRO A 63 -18.140 -8.498 2.787 1.00 0.00 O ATOM 946 CB PRO A 63 -15.058 -7.743 2.975 1.00 0.00 C ATOM 947 CG PRO A 63 -15.129 -8.336 4.340 1.00 0.00 C ATOM 948 CD PRO A 63 -15.828 -7.318 5.198 1.00 0.00 C ATOM 0 HA PRO A 63 -16.212 -6.010 2.238 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.015 -8.517 2.209 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.166 -7.127 2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.677 -9.278 4.328 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.132 -8.552 4.724 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -16.429 -7.792 5.975 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.118 -6.661 5.700 1.00 0.00 H new ATOM 956 N PRO A 64 -17.580 -7.506 0.844 1.00 0.00 N ATOM 957 CA PRO A 64 -18.591 -8.203 0.044 1.00 0.00 C ATOM 958 C PRO A 64 -18.278 -9.687 -0.120 1.00 0.00 C ATOM 959 O PRO A 64 -19.134 -10.541 0.111 1.00 0.00 O ATOM 960 CB PRO A 64 -18.527 -7.490 -1.309 1.00 0.00 C ATOM 961 CG PRO A 64 -17.147 -6.933 -1.379 1.00 0.00 C ATOM 962 CD PRO A 64 -16.771 -6.580 0.034 1.00 0.00 C ATOM 0 HA PRO A 64 -19.575 -8.170 0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.717 -8.181 -2.130 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -19.276 -6.701 -1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.453 -7.662 -1.797 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.113 -6.054 -2.023 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.704 -6.717 0.212 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.001 -5.540 0.263 1.00 0.00 H new ATOM 970 N HIS A 65 -17.047 -9.986 -0.521 1.00 0.00 N ATOM 971 CA HIS A 65 -16.620 -11.367 -0.716 1.00 0.00 C ATOM 972 C HIS A 65 -17.106 -12.252 0.429 1.00 0.00 C ATOM 973 O HIS A 65 -17.408 -13.429 0.233 1.00 0.00 O ATOM 974 CB HIS A 65 -15.097 -11.443 -0.823 1.00 0.00 C ATOM 975 CG HIS A 65 -14.401 -11.412 0.502 1.00 0.00 C ATOM 976 ND1 HIS A 65 -13.992 -10.244 1.111 1.00 0.00 N ATOM 977 CD2 HIS A 65 -14.042 -12.415 1.337 1.00 0.00 C ATOM 978 CE1 HIS A 65 -13.411 -10.530 2.262 1.00 0.00 C ATOM 979 NE2 HIS A 65 -13.429 -11.841 2.424 1.00 0.00 N ATOM 0 H HIS A 65 -16.327 -9.290 -0.717 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.060 -11.729 -1.645 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -14.823 -12.359 -1.347 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -14.742 -10.610 -1.430 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -14.207 -13.470 1.178 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.992 -9.814 2.953 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -13.050 -12.345 3.226 1.00 0.00 H new