USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 963 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.22 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.0992 F(o=-1.1,f=-0.099) USER MOD Single : A 24 THR OG1 : rot 101:sc= 1.28 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 149:sc= -0.124 (180deg=-0.787) USER MOD Single : A 32 MET CE :methyl 171:sc= -0.572 (180deg=-0.689) USER MOD Single : A 39 TYR OH : rot 180:sc=0.000299 USER MOD Single : A 42 MET CE :methyl -130:sc= -4.2! (180deg=-5.6!) USER MOD Single : A 46 CYS SG : rot 114:sc= 0.451 USER MOD Single : A 49 TYR OH : rot -93:sc= 0.32 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -3.53! C(o=-3.5!,f=-10!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 172:sc= -3.45! (180deg=-3.75!) USER MOD Single : A 79 ASN : amide:sc= -0.87 X(o=-0.87,f=-0.45) USER MOD Single : A 81 ASN : amide:sc= -6.06! C(o=-6.1!,f=-7.7!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.155 X(o=-0.15,f=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0.241 USER MOD Single : A 122 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.65) USER MOD Single : A 131 HIS : no HD1:sc= -2.77! C(o=-2.8!,f=-4.3!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 95 N PRO A 7 1.716 4.199 18.071 1.00 0.00 N ATOM 96 CA PRO A 7 2.996 4.898 18.218 1.00 0.00 C ATOM 97 C PRO A 7 3.618 5.266 16.883 1.00 0.00 C ATOM 98 O PRO A 7 4.689 5.870 16.825 1.00 0.00 O ATOM 99 CB PRO A 7 3.889 3.890 18.952 1.00 0.00 C ATOM 100 CG PRO A 7 2.976 2.802 19.415 1.00 0.00 C ATOM 101 CD PRO A 7 1.832 2.783 18.446 1.00 0.00 C ATOM 0 HA PRO A 7 2.870 5.842 18.748 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.662 3.498 18.291 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.398 4.359 19.794 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.490 1.841 19.430 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.625 2.992 20.429 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.040 2.150 17.584 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.917 2.407 18.904 1.00 0.00 H new ATOM 109 N VAL A 8 2.936 4.898 15.820 1.00 0.00 N ATOM 110 CA VAL A 8 3.409 5.175 14.467 1.00 0.00 C ATOM 111 C VAL A 8 2.339 5.884 13.641 1.00 0.00 C ATOM 112 O VAL A 8 1.156 5.558 13.727 1.00 0.00 O ATOM 113 CB VAL A 8 3.825 3.879 13.741 1.00 0.00 C ATOM 114 CG1 VAL A 8 4.371 4.191 12.356 1.00 0.00 C ATOM 115 CG2 VAL A 8 4.849 3.110 14.561 1.00 0.00 C ATOM 0 H VAL A 8 2.045 4.403 15.860 1.00 0.00 H new ATOM 0 HA VAL A 8 4.278 5.826 14.565 1.00 0.00 H new ATOM 0 HB VAL A 8 2.940 3.253 13.626 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.659 3.264 11.861 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.604 4.694 11.767 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.242 4.840 12.446 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.129 2.199 14.032 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.733 3.729 14.712 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.419 2.850 15.528 1.00 0.00 H new ATOM 125 N THR A 9 2.769 6.855 12.840 1.00 0.00 N ATOM 126 CA THR A 9 1.856 7.615 11.994 1.00 0.00 C ATOM 127 C THR A 9 2.529 8.011 10.686 1.00 0.00 C ATOM 128 O THR A 9 3.717 8.332 10.661 1.00 0.00 O ATOM 129 CB THR A 9 1.355 8.889 12.702 1.00 0.00 C ATOM 130 OG1 THR A 9 2.468 9.671 13.150 1.00 0.00 O ATOM 131 CG2 THR A 9 0.466 8.540 13.886 1.00 0.00 C ATOM 0 H THR A 9 3.747 7.134 12.760 1.00 0.00 H new ATOM 0 HA THR A 9 1.005 6.967 11.787 1.00 0.00 H new ATOM 0 HB THR A 9 0.769 9.466 11.987 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.141 10.479 13.597 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.126 9.456 14.368 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.396 7.971 13.538 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.031 7.942 14.601 1.00 0.00 H new ATOM 139 N ALA A 10 1.765 7.985 9.599 1.00 0.00 N ATOM 140 CA ALA A 10 2.293 8.341 8.290 1.00 0.00 C ATOM 141 C ALA A 10 2.188 9.842 8.047 1.00 0.00 C ATOM 142 O ALA A 10 1.568 10.566 8.825 1.00 0.00 O ATOM 143 CB ALA A 10 1.563 7.574 7.199 1.00 0.00 C ATOM 0 H ALA A 10 0.780 7.721 9.600 1.00 0.00 H new ATOM 0 HA ALA A 10 3.348 8.068 8.264 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.969 7.851 6.226 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.695 6.504 7.356 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.501 7.817 7.232 1.00 0.00 H new ATOM 149 N SER A 11 2.799 10.302 6.960 1.00 0.00 N ATOM 150 CA SER A 11 2.777 11.719 6.612 1.00 0.00 C ATOM 151 C SER A 11 2.975 11.910 5.113 1.00 0.00 C ATOM 152 O SER A 11 3.345 10.976 4.405 1.00 0.00 O ATOM 153 CB SER A 11 3.865 12.473 7.381 1.00 0.00 C ATOM 154 OG SER A 11 3.859 13.852 7.057 1.00 0.00 O ATOM 0 H SER A 11 3.315 9.715 6.305 1.00 0.00 H new ATOM 0 HA SER A 11 1.802 12.121 6.889 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.710 12.348 8.453 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.841 12.046 7.148 1.00 0.00 H new ATOM 0 HG SER A 11 4.562 14.310 7.563 1.00 0.00 H new ATOM 160 N LEU A 12 2.725 13.122 4.631 1.00 0.00 N ATOM 161 CA LEU A 12 2.884 13.420 3.212 1.00 0.00 C ATOM 162 C LEU A 12 4.284 13.955 2.927 1.00 0.00 C ATOM 163 O LEU A 12 4.752 14.881 3.590 1.00 0.00 O ATOM 164 CB LEU A 12 1.831 14.433 2.759 1.00 0.00 C ATOM 165 CG LEU A 12 1.538 14.426 1.257 1.00 0.00 C ATOM 166 CD1 LEU A 12 1.000 13.069 0.831 1.00 0.00 C ATOM 167 CD2 LEU A 12 0.556 15.530 0.899 1.00 0.00 C ATOM 0 H LEU A 12 2.413 13.910 5.198 1.00 0.00 H new ATOM 0 HA LEU A 12 2.746 12.495 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.903 14.237 3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.161 15.432 3.046 1.00 0.00 H new ATOM 0 HG LEU A 12 2.469 14.612 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.796 13.078 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.739 12.299 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.079 12.856 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.360 15.509 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.377 15.377 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.980 16.496 1.172 1.00 0.00 H new ATOM 179 N VAL A 13 4.948 13.364 1.937 1.00 0.00 N ATOM 180 CA VAL A 13 6.298 13.776 1.568 1.00 0.00 C ATOM 181 C VAL A 13 6.273 14.880 0.515 1.00 0.00 C ATOM 182 O VAL A 13 5.321 14.994 -0.256 1.00 0.00 O ATOM 183 CB VAL A 13 7.117 12.588 1.024 1.00 0.00 C ATOM 184 CG1 VAL A 13 8.583 12.972 0.874 1.00 0.00 C ATOM 185 CG2 VAL A 13 6.968 11.377 1.930 1.00 0.00 C ATOM 0 H VAL A 13 4.573 12.599 1.377 1.00 0.00 H new ATOM 0 HA VAL A 13 6.770 14.154 2.475 1.00 0.00 H new ATOM 0 HB VAL A 13 6.731 12.327 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.145 12.121 0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.671 13.808 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.984 13.262 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.553 10.549 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.326 11.624 2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.918 11.088 1.981 1.00 0.00 H new ATOM 195 N ALA A 14 7.327 15.692 0.494 1.00 0.00 N ATOM 196 CA ALA A 14 7.434 16.786 -0.465 1.00 0.00 C ATOM 197 C ALA A 14 7.395 16.261 -1.897 1.00 0.00 C ATOM 198 O ALA A 14 7.904 15.178 -2.183 1.00 0.00 O ATOM 199 CB ALA A 14 8.712 17.576 -0.225 1.00 0.00 C ATOM 0 H ALA A 14 8.119 15.612 1.131 1.00 0.00 H new ATOM 0 HA ALA A 14 6.580 17.448 -0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.778 18.389 -0.948 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.701 17.988 0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.573 16.918 -0.339 1.00 0.00 H new ATOM 205 N GLU A 15 6.789 17.036 -2.792 1.00 0.00 N ATOM 206 CA GLU A 15 6.678 16.644 -4.194 1.00 0.00 C ATOM 207 C GLU A 15 8.050 16.537 -4.855 1.00 0.00 C ATOM 208 O GLU A 15 8.224 15.792 -5.820 1.00 0.00 O ATOM 209 CB GLU A 15 5.795 17.636 -4.959 1.00 0.00 C ATOM 210 CG GLU A 15 6.135 19.098 -4.705 1.00 0.00 C ATOM 211 CD GLU A 15 7.455 19.515 -5.321 1.00 0.00 C ATOM 212 OE1 GLU A 15 7.573 19.463 -6.564 1.00 0.00 O ATOM 213 OE2 GLU A 15 8.369 19.899 -4.562 1.00 0.00 O ATOM 0 H GLU A 15 6.368 17.938 -2.572 1.00 0.00 H new ATOM 0 HA GLU A 15 6.213 15.658 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.882 17.434 -6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.754 17.464 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.339 19.725 -5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.170 19.276 -3.630 1.00 0.00 H new ATOM 220 N ALA A 16 9.021 17.282 -4.336 1.00 0.00 N ATOM 221 CA ALA A 16 10.371 17.262 -4.886 1.00 0.00 C ATOM 222 C ALA A 16 11.187 16.102 -4.324 1.00 0.00 C ATOM 223 O ALA A 16 12.287 15.820 -4.801 1.00 0.00 O ATOM 224 CB ALA A 16 11.073 18.583 -4.611 1.00 0.00 C ATOM 0 H ALA A 16 8.898 17.905 -3.538 1.00 0.00 H new ATOM 0 HA ALA A 16 10.289 17.120 -5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.080 18.554 -5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.513 19.396 -5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.130 18.748 -3.535 1.00 0.00 H new ATOM 230 N GLN A 17 10.646 15.429 -3.311 1.00 0.00 N ATOM 231 CA GLN A 17 11.332 14.301 -2.689 1.00 0.00 C ATOM 232 C GLN A 17 10.608 12.991 -2.979 1.00 0.00 C ATOM 233 O GLN A 17 11.156 11.909 -2.771 1.00 0.00 O ATOM 234 CB GLN A 17 11.441 14.516 -1.179 1.00 0.00 C ATOM 235 CG GLN A 17 12.231 15.758 -0.802 1.00 0.00 C ATOM 236 CD GLN A 17 13.669 15.698 -1.276 1.00 0.00 C ATOM 237 OE1 GLN A 17 13.898 16.105 -2.519 1.00 0.00 O flip ATOM 238 NE2 GLN A 17 14.561 15.277 -0.540 1.00 0.00 N flip ATOM 0 H GLN A 17 9.736 15.645 -2.904 1.00 0.00 H new ATOM 0 HA GLN A 17 12.334 14.239 -3.114 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.439 14.590 -0.757 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.913 13.643 -0.728 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.747 16.636 -1.230 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.214 15.881 0.281 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.339 14.975 0.409 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.522 15.230 -0.879 1.00 0.00 H new ATOM 247 N ARG A 18 9.374 13.099 -3.454 1.00 0.00 N ATOM 248 CA ARG A 18 8.571 11.925 -3.775 1.00 0.00 C ATOM 249 C ARG A 18 9.173 11.163 -4.947 1.00 0.00 C ATOM 250 O ARG A 18 9.074 9.939 -5.025 1.00 0.00 O ATOM 251 CB ARG A 18 7.141 12.345 -4.115 1.00 0.00 C ATOM 252 CG ARG A 18 6.313 12.739 -2.905 1.00 0.00 C ATOM 253 CD ARG A 18 5.094 13.543 -3.317 1.00 0.00 C ATOM 254 NE ARG A 18 3.893 13.134 -2.594 1.00 0.00 N ATOM 255 CZ ARG A 18 2.699 13.685 -2.785 1.00 0.00 C ATOM 256 NH1 ARG A 18 2.554 14.677 -3.654 1.00 0.00 N ATOM 257 NH2 ARG A 18 1.649 13.246 -2.105 1.00 0.00 N ATOM 0 H ARG A 18 8.906 13.989 -3.626 1.00 0.00 H new ATOM 0 HA ARG A 18 8.559 11.271 -2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.174 13.184 -4.809 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.644 11.524 -4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.998 11.844 -2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.923 13.324 -2.217 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.281 14.602 -3.137 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.929 13.426 -4.388 1.00 0.00 H new ATOM 0 HE ARG A 18 3.975 12.386 -1.906 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.360 15.018 -4.177 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.636 15.098 -3.799 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.757 12.485 -1.435 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.733 13.669 -2.252 1.00 0.00 H new ATOM 271 N LEU A 19 9.797 11.902 -5.857 1.00 0.00 N ATOM 272 CA LEU A 19 10.416 11.309 -7.035 1.00 0.00 C ATOM 273 C LEU A 19 11.589 10.407 -6.656 1.00 0.00 C ATOM 274 O LEU A 19 11.961 9.512 -7.415 1.00 0.00 O ATOM 275 CB LEU A 19 10.878 12.409 -7.995 1.00 0.00 C ATOM 276 CG LEU A 19 11.621 13.580 -7.343 1.00 0.00 C ATOM 277 CD1 LEU A 19 13.046 13.186 -6.984 1.00 0.00 C ATOM 278 CD2 LEU A 19 11.615 14.790 -8.263 1.00 0.00 C ATOM 0 H LEU A 19 9.887 12.916 -5.801 1.00 0.00 H new ATOM 0 HA LEU A 19 9.670 10.690 -7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.528 11.962 -8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.006 12.800 -8.519 1.00 0.00 H new ATOM 0 HG LEU A 19 11.102 13.843 -6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.553 14.034 -6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.027 12.350 -6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.581 12.891 -7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.147 15.613 -7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.108 14.536 -9.202 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.586 15.090 -8.463 1.00 0.00 H new ATOM 290 N ASP A 20 12.168 10.645 -5.482 1.00 0.00 N ATOM 291 CA ASP A 20 13.300 9.850 -5.018 1.00 0.00 C ATOM 292 C ASP A 20 12.949 9.063 -3.761 1.00 0.00 C ATOM 293 O ASP A 20 13.725 8.222 -3.309 1.00 0.00 O ATOM 294 CB ASP A 20 14.501 10.751 -4.736 1.00 0.00 C ATOM 295 CG ASP A 20 15.807 9.983 -4.703 1.00 0.00 C ATOM 296 OD1 ASP A 20 16.192 9.513 -3.612 1.00 0.00 O ATOM 297 OD2 ASP A 20 16.445 9.852 -5.770 1.00 0.00 O ATOM 0 H ASP A 20 11.873 11.379 -4.838 1.00 0.00 H new ATOM 0 HA ASP A 20 13.552 9.143 -5.809 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.558 11.525 -5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.356 11.256 -3.781 1.00 0.00 H new ATOM 302 N PHE A 21 11.778 9.338 -3.198 1.00 0.00 N ATOM 303 CA PHE A 21 11.335 8.653 -1.993 1.00 0.00 C ATOM 304 C PHE A 21 11.127 7.166 -2.262 1.00 0.00 C ATOM 305 O PHE A 21 11.384 6.329 -1.397 1.00 0.00 O ATOM 306 CB PHE A 21 10.044 9.277 -1.466 1.00 0.00 C ATOM 307 CG PHE A 21 9.741 8.903 -0.044 1.00 0.00 C ATOM 308 CD1 PHE A 21 10.345 9.577 1.005 1.00 0.00 C ATOM 309 CD2 PHE A 21 8.857 7.876 0.243 1.00 0.00 C ATOM 310 CE1 PHE A 21 10.073 9.233 2.315 1.00 0.00 C ATOM 311 CE2 PHE A 21 8.582 7.528 1.551 1.00 0.00 C ATOM 312 CZ PHE A 21 9.191 8.207 2.589 1.00 0.00 C ATOM 0 H PHE A 21 11.120 10.030 -3.557 1.00 0.00 H new ATOM 0 HA PHE A 21 12.112 8.763 -1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.116 10.362 -1.542 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.214 8.968 -2.101 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.036 10.380 0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.378 7.342 -0.564 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.550 9.766 3.124 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.891 6.725 1.762 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.977 7.936 3.612 1.00 0.00 H new ATOM 322 N LEU A 22 10.661 6.845 -3.466 1.00 0.00 N ATOM 323 CA LEU A 22 10.429 5.455 -3.844 1.00 0.00 C ATOM 324 C LEU A 22 11.745 4.679 -3.898 1.00 0.00 C ATOM 325 O LEU A 22 11.879 3.646 -3.244 1.00 0.00 O ATOM 326 CB LEU A 22 9.703 5.371 -5.191 1.00 0.00 C ATOM 327 CG LEU A 22 8.241 4.928 -5.109 1.00 0.00 C ATOM 328 CD1 LEU A 22 8.141 3.533 -4.508 1.00 0.00 C ATOM 329 CD2 LEU A 22 7.428 5.923 -4.294 1.00 0.00 C ATOM 0 H LEU A 22 10.438 7.525 -4.193 1.00 0.00 H new ATOM 0 HA LEU A 22 9.794 5.002 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.745 6.349 -5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.242 4.676 -5.835 1.00 0.00 H new ATOM 0 HG LEU A 22 7.831 4.897 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.094 3.233 -4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.690 2.828 -5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.567 3.538 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.390 5.592 -4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.836 5.986 -3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.475 6.904 -4.766 1.00 0.00 H new ATOM 341 N PRO A 23 12.737 5.155 -4.678 1.00 0.00 N ATOM 342 CA PRO A 23 14.036 4.486 -4.774 1.00 0.00 C ATOM 343 C PRO A 23 14.798 4.550 -3.457 1.00 0.00 C ATOM 344 O PRO A 23 15.840 3.914 -3.292 1.00 0.00 O ATOM 345 CB PRO A 23 14.774 5.275 -5.860 1.00 0.00 C ATOM 346 CG PRO A 23 14.113 6.609 -5.883 1.00 0.00 C ATOM 347 CD PRO A 23 12.676 6.364 -5.523 1.00 0.00 C ATOM 0 HA PRO A 23 13.937 3.426 -5.006 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.836 5.364 -5.630 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.698 4.780 -6.828 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.583 7.290 -5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.196 7.069 -6.868 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.247 7.209 -4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.061 6.205 -6.409 1.00 0.00 H new ATOM 355 N THR A 24 14.262 5.328 -2.523 1.00 0.00 N ATOM 356 CA THR A 24 14.876 5.500 -1.214 1.00 0.00 C ATOM 357 C THR A 24 14.382 4.464 -0.199 1.00 0.00 C ATOM 358 O THR A 24 15.181 3.875 0.529 1.00 0.00 O ATOM 359 CB THR A 24 14.604 6.916 -0.668 1.00 0.00 C ATOM 360 OG1 THR A 24 15.431 7.869 -1.346 1.00 0.00 O ATOM 361 CG2 THR A 24 14.860 6.989 0.827 1.00 0.00 C ATOM 0 H THR A 24 13.397 5.853 -2.651 1.00 0.00 H new ATOM 0 HA THR A 24 15.948 5.356 -1.351 1.00 0.00 H new ATOM 0 HB THR A 24 13.554 7.149 -0.847 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.904 8.331 -2.031 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.659 8.000 1.182 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.205 6.287 1.343 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.900 6.733 1.031 1.00 0.00 H new ATOM 369 N TYR A 25 13.070 4.241 -0.151 1.00 0.00 N ATOM 370 CA TYR A 25 12.493 3.292 0.803 1.00 0.00 C ATOM 371 C TYR A 25 12.233 1.928 0.171 1.00 0.00 C ATOM 372 O TYR A 25 12.413 0.896 0.817 1.00 0.00 O ATOM 373 CB TYR A 25 11.195 3.847 1.389 1.00 0.00 C ATOM 374 CG TYR A 25 11.402 4.691 2.627 1.00 0.00 C ATOM 375 CD1 TYR A 25 11.973 5.953 2.544 1.00 0.00 C ATOM 376 CD2 TYR A 25 11.027 4.222 3.881 1.00 0.00 C ATOM 377 CE1 TYR A 25 12.167 6.725 3.674 1.00 0.00 C ATOM 378 CE2 TYR A 25 11.217 4.988 5.016 1.00 0.00 C ATOM 379 CZ TYR A 25 11.787 6.239 4.906 1.00 0.00 C ATOM 380 OH TYR A 25 11.978 7.005 6.034 1.00 0.00 O ATOM 0 H TYR A 25 12.389 4.700 -0.756 1.00 0.00 H new ATOM 0 HA TYR A 25 13.224 3.155 1.600 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.691 4.446 0.631 1.00 0.00 H new ATOM 0 HB3 TYR A 25 10.532 3.017 1.632 1.00 0.00 H new ATOM 0 HD1 TYR A 25 12.271 6.339 1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.580 3.243 3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 25 12.614 7.705 3.592 1.00 0.00 H new ATOM 0 HE2 TYR A 25 10.921 4.609 5.983 1.00 0.00 H new ATOM 0 HH TYR A 25 11.655 6.516 6.820 1.00 0.00 H new ATOM 390 N PHE A 26 11.814 1.923 -1.087 1.00 0.00 N ATOM 391 CA PHE A 26 11.531 0.680 -1.788 1.00 0.00 C ATOM 392 C PHE A 26 12.785 0.178 -2.488 1.00 0.00 C ATOM 393 O PHE A 26 13.118 -1.004 -2.422 1.00 0.00 O ATOM 394 CB PHE A 26 10.409 0.888 -2.808 1.00 0.00 C ATOM 395 CG PHE A 26 9.140 0.154 -2.477 1.00 0.00 C ATOM 396 CD1 PHE A 26 8.581 0.239 -1.210 1.00 0.00 C ATOM 397 CD2 PHE A 26 8.503 -0.616 -3.436 1.00 0.00 C ATOM 398 CE1 PHE A 26 7.412 -0.432 -0.908 1.00 0.00 C ATOM 399 CE2 PHE A 26 7.333 -1.289 -3.139 1.00 0.00 C ATOM 400 CZ PHE A 26 6.788 -1.197 -1.874 1.00 0.00 C ATOM 0 H PHE A 26 11.663 2.765 -1.642 1.00 0.00 H new ATOM 0 HA PHE A 26 11.209 -0.065 -1.061 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.192 1.954 -2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 26 10.759 0.565 -3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 26 9.065 0.836 -0.452 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.925 -0.691 -4.427 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.987 -0.359 0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.846 -1.886 -3.896 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.874 -1.723 -1.640 1.00 0.00 H new ATOM 410 N GLY A 27 13.479 1.094 -3.152 1.00 0.00 N ATOM 411 CA GLY A 27 14.692 0.735 -3.860 1.00 0.00 C ATOM 412 C GLY A 27 14.768 1.385 -5.225 1.00 0.00 C ATOM 413 O GLY A 27 13.739 1.608 -5.862 1.00 0.00 O ATOM 0 H GLY A 27 13.223 2.079 -3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.558 1.032 -3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.739 -0.348 -3.972 1.00 0.00 H new ATOM 417 N PRO A 28 15.980 1.705 -5.708 1.00 0.00 N ATOM 418 CA PRO A 28 16.162 2.340 -7.015 1.00 0.00 C ATOM 419 C PRO A 28 15.547 1.520 -8.139 1.00 0.00 C ATOM 420 O PRO A 28 15.225 2.049 -9.203 1.00 0.00 O ATOM 421 CB PRO A 28 17.686 2.428 -7.177 1.00 0.00 C ATOM 422 CG PRO A 28 18.246 1.486 -6.164 1.00 0.00 C ATOM 423 CD PRO A 28 17.263 1.468 -5.030 1.00 0.00 C ATOM 0 HA PRO A 28 15.670 3.311 -7.066 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.991 2.148 -8.185 1.00 0.00 H new ATOM 0 HB3 PRO A 28 18.041 3.444 -7.007 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.373 0.489 -6.586 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.228 1.816 -5.824 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.272 0.514 -4.502 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.481 2.242 -4.294 1.00 0.00 H new ATOM 431 N ARG A 29 15.395 0.223 -7.901 1.00 0.00 N ATOM 432 CA ARG A 29 14.811 -0.665 -8.893 1.00 0.00 C ATOM 433 C ARG A 29 13.319 -0.864 -8.651 1.00 0.00 C ATOM 434 O ARG A 29 12.520 -0.783 -9.584 1.00 0.00 O ATOM 435 CB ARG A 29 15.522 -2.021 -8.884 1.00 0.00 C ATOM 436 CG ARG A 29 14.834 -3.073 -9.742 1.00 0.00 C ATOM 437 CD ARG A 29 14.771 -2.652 -11.203 1.00 0.00 C ATOM 438 NE ARG A 29 13.894 -3.516 -11.988 1.00 0.00 N ATOM 439 CZ ARG A 29 13.909 -3.570 -13.318 1.00 0.00 C ATOM 440 NH1 ARG A 29 14.755 -2.815 -14.006 1.00 0.00 N ATOM 441 NH2 ARG A 29 13.077 -4.379 -13.960 1.00 0.00 N ATOM 0 H ARG A 29 15.668 -0.235 -7.031 1.00 0.00 H new ATOM 0 HA ARG A 29 14.941 -0.198 -9.869 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.545 -1.888 -9.236 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.583 -2.384 -7.858 1.00 0.00 H new ATOM 0 HG2 ARG A 29 15.370 -4.019 -9.658 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.824 -3.244 -9.368 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.418 -1.623 -11.268 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.774 -2.672 -11.629 1.00 0.00 H new ATOM 0 HE ARG A 29 13.233 -4.112 -11.489 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.396 -2.191 -13.516 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.764 -2.858 -15.025 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.424 -4.961 -13.435 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.090 -4.419 -14.979 1.00 0.00 H new ATOM 455 N LEU A 30 12.940 -1.124 -7.400 1.00 0.00 N ATOM 456 CA LEU A 30 11.544 -1.356 -7.048 1.00 0.00 C ATOM 457 C LEU A 30 10.676 -0.122 -7.248 1.00 0.00 C ATOM 458 O LEU A 30 9.478 -0.244 -7.457 1.00 0.00 O ATOM 459 CB LEU A 30 11.447 -1.801 -5.587 1.00 0.00 C ATOM 460 CG LEU A 30 12.203 -3.085 -5.237 1.00 0.00 C ATOM 461 CD1 LEU A 30 12.005 -3.430 -3.770 1.00 0.00 C ATOM 462 CD2 LEU A 30 11.752 -4.236 -6.123 1.00 0.00 C ATOM 0 H LEU A 30 13.585 -1.179 -6.612 1.00 0.00 H new ATOM 0 HA LEU A 30 11.173 -2.134 -7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.821 -0.996 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.395 -1.940 -5.337 1.00 0.00 H new ATOM 0 HG LEU A 30 13.265 -2.918 -5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.548 -4.345 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.381 -2.616 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.943 -3.577 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.303 -5.138 -5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.685 -4.407 -5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.945 -3.989 -7.167 1.00 0.00 H new ATOM 474 N MET A 31 11.272 1.059 -7.151 1.00 0.00 N ATOM 475 CA MET A 31 10.529 2.308 -7.312 1.00 0.00 C ATOM 476 C MET A 31 9.394 2.185 -8.328 1.00 0.00 C ATOM 477 O MET A 31 8.324 2.763 -8.139 1.00 0.00 O ATOM 478 CB MET A 31 11.479 3.428 -7.725 1.00 0.00 C ATOM 479 CG MET A 31 12.433 3.021 -8.834 1.00 0.00 C ATOM 480 SD MET A 31 12.147 3.923 -10.370 1.00 0.00 S ATOM 481 CE MET A 31 12.412 5.611 -9.831 1.00 0.00 C ATOM 0 H MET A 31 12.267 1.181 -6.962 1.00 0.00 H new ATOM 0 HA MET A 31 10.076 2.542 -6.349 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.896 4.288 -8.053 1.00 0.00 H new ATOM 0 HB3 MET A 31 12.056 3.746 -6.856 1.00 0.00 H new ATOM 0 HG2 MET A 31 13.458 3.190 -8.505 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.330 1.952 -9.021 1.00 0.00 H new ATOM 0 HE1 MET A 31 12.812 6.198 -10.658 1.00 0.00 H new ATOM 0 HE2 MET A 31 11.465 6.041 -9.504 1.00 0.00 H new ATOM 0 HE3 MET A 31 13.120 5.621 -9.003 1.00 0.00 H new ATOM 491 N MET A 32 9.625 1.433 -9.395 1.00 0.00 N ATOM 492 CA MET A 32 8.610 1.238 -10.422 1.00 0.00 C ATOM 493 C MET A 32 8.010 -0.159 -10.319 1.00 0.00 C ATOM 494 O MET A 32 6.810 -0.350 -10.520 1.00 0.00 O ATOM 495 CB MET A 32 9.210 1.451 -11.813 1.00 0.00 C ATOM 496 CG MET A 32 10.274 0.431 -12.181 1.00 0.00 C ATOM 497 SD MET A 32 10.990 0.729 -13.808 1.00 0.00 S ATOM 498 CE MET A 32 11.745 2.333 -13.556 1.00 0.00 C ATOM 0 H MET A 32 10.505 0.948 -9.572 1.00 0.00 H new ATOM 0 HA MET A 32 7.818 1.971 -10.266 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.411 1.413 -12.553 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.644 2.450 -11.863 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.065 0.451 -11.431 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.838 -0.568 -12.158 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.363 2.584 -14.418 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.967 3.087 -13.436 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.366 2.306 -12.660 1.00 0.00 H new ATOM 508 N ARG A 33 8.860 -1.132 -10.007 1.00 0.00 N ATOM 509 CA ARG A 33 8.427 -2.517 -9.871 1.00 0.00 C ATOM 510 C ARG A 33 7.490 -2.684 -8.678 1.00 0.00 C ATOM 511 O ARG A 33 6.801 -3.697 -8.558 1.00 0.00 O ATOM 512 CB ARG A 33 9.640 -3.434 -9.710 1.00 0.00 C ATOM 513 CG ARG A 33 10.696 -3.252 -10.792 1.00 0.00 C ATOM 514 CD ARG A 33 10.192 -3.698 -12.156 1.00 0.00 C ATOM 515 NE ARG A 33 9.232 -2.757 -12.727 1.00 0.00 N ATOM 516 CZ ARG A 33 8.496 -3.016 -13.804 1.00 0.00 C ATOM 517 NH1 ARG A 33 8.606 -4.185 -14.422 1.00 0.00 N ATOM 518 NH2 ARG A 33 7.650 -2.105 -14.266 1.00 0.00 N ATOM 0 H ARG A 33 9.856 -0.985 -9.843 1.00 0.00 H new ATOM 0 HA ARG A 33 7.884 -2.792 -10.775 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.095 -3.251 -8.737 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.303 -4.471 -9.715 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.991 -2.204 -10.839 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.587 -3.823 -10.530 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.037 -3.808 -12.835 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.726 -4.679 -12.066 1.00 0.00 H new ATOM 0 HE ARG A 33 9.120 -1.850 -12.274 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.256 -4.888 -14.071 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.040 -4.381 -15.248 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.563 -1.204 -13.795 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.086 -2.305 -15.092 1.00 0.00 H new ATOM 532 N GLY A 34 7.469 -1.685 -7.798 1.00 0.00 N ATOM 533 CA GLY A 34 6.620 -1.747 -6.626 1.00 0.00 C ATOM 534 C GLY A 34 5.421 -0.832 -6.735 1.00 0.00 C ATOM 535 O GLY A 34 4.304 -1.222 -6.391 1.00 0.00 O ATOM 0 H GLY A 34 8.026 -0.834 -7.878 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.279 -2.772 -6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.201 -1.477 -5.745 1.00 0.00 H new ATOM 539 N GLU A 35 5.646 0.390 -7.212 1.00 0.00 N ATOM 540 CA GLU A 35 4.563 1.350 -7.370 1.00 0.00 C ATOM 541 C GLU A 35 3.476 0.757 -8.254 1.00 0.00 C ATOM 542 O GLU A 35 2.289 1.023 -8.066 1.00 0.00 O ATOM 543 CB GLU A 35 5.075 2.660 -7.975 1.00 0.00 C ATOM 544 CG GLU A 35 5.569 2.520 -9.406 1.00 0.00 C ATOM 545 CD GLU A 35 5.903 3.856 -10.042 1.00 0.00 C ATOM 546 OE1 GLU A 35 7.067 4.296 -9.923 1.00 0.00 O ATOM 547 OE2 GLU A 35 5.003 4.462 -10.658 1.00 0.00 O ATOM 0 H GLU A 35 6.564 0.735 -7.494 1.00 0.00 H new ATOM 0 HA GLU A 35 4.150 1.570 -6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.275 3.400 -7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.886 3.043 -7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.454 1.884 -9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.806 2.019 -10.002 1.00 0.00 H new ATOM 554 N ALA A 36 3.897 -0.049 -9.226 1.00 0.00 N ATOM 555 CA ALA A 36 2.961 -0.696 -10.137 1.00 0.00 C ATOM 556 C ALA A 36 2.193 -1.811 -9.432 1.00 0.00 C ATOM 557 O ALA A 36 1.046 -2.098 -9.768 1.00 0.00 O ATOM 558 CB ALA A 36 3.700 -1.244 -11.349 1.00 0.00 C ATOM 0 H ALA A 36 4.878 -0.268 -9.401 1.00 0.00 H new ATOM 0 HA ALA A 36 2.240 0.050 -10.472 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.990 -1.725 -12.022 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.198 -0.427 -11.871 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.442 -1.973 -11.024 1.00 0.00 H new ATOM 564 N LEU A 37 2.839 -2.441 -8.456 1.00 0.00 N ATOM 565 CA LEU A 37 2.220 -3.527 -7.703 1.00 0.00 C ATOM 566 C LEU A 37 1.107 -3.025 -6.786 1.00 0.00 C ATOM 567 O LEU A 37 0.054 -3.651 -6.684 1.00 0.00 O ATOM 568 CB LEU A 37 3.273 -4.264 -6.877 1.00 0.00 C ATOM 569 CG LEU A 37 3.871 -5.499 -7.549 1.00 0.00 C ATOM 570 CD1 LEU A 37 5.007 -6.063 -6.710 1.00 0.00 C ATOM 571 CD2 LEU A 37 2.798 -6.553 -7.774 1.00 0.00 C ATOM 0 H LEU A 37 3.792 -2.218 -8.168 1.00 0.00 H new ATOM 0 HA LEU A 37 1.775 -4.210 -8.426 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.080 -3.570 -6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.825 -4.565 -5.930 1.00 0.00 H new ATOM 0 HG LEU A 37 4.273 -5.205 -8.519 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.422 -6.942 -7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.786 -5.309 -6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.629 -6.343 -5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.241 -7.426 -8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.368 -6.844 -6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.016 -6.145 -8.414 1.00 0.00 H new ATOM 583 N VAL A 38 1.336 -1.894 -6.128 1.00 0.00 N ATOM 584 CA VAL A 38 0.344 -1.340 -5.213 1.00 0.00 C ATOM 585 C VAL A 38 -0.929 -0.946 -5.955 1.00 0.00 C ATOM 586 O VAL A 38 -2.037 -1.160 -5.463 1.00 0.00 O ATOM 587 CB VAL A 38 0.893 -0.120 -4.443 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.305 -0.397 -3.954 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.860 1.133 -5.301 1.00 0.00 C ATOM 0 H VAL A 38 2.193 -1.346 -6.210 1.00 0.00 H new ATOM 0 HA VAL A 38 0.109 -2.124 -4.493 1.00 0.00 H new ATOM 0 HB VAL A 38 0.251 0.052 -3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.680 0.472 -3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.297 -1.262 -3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.952 -0.600 -4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.253 1.975 -4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.471 0.981 -6.191 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.167 1.344 -5.598 1.00 0.00 H new ATOM 599 N TYR A 39 -0.763 -0.374 -7.142 1.00 0.00 N ATOM 600 CA TYR A 39 -1.899 0.044 -7.953 1.00 0.00 C ATOM 601 C TYR A 39 -2.525 -1.157 -8.655 1.00 0.00 C ATOM 602 O TYR A 39 -3.723 -1.165 -8.943 1.00 0.00 O ATOM 603 CB TYR A 39 -1.456 1.104 -8.969 1.00 0.00 C ATOM 604 CG TYR A 39 -1.522 0.663 -10.415 1.00 0.00 C ATOM 605 CD1 TYR A 39 -2.675 0.852 -11.170 1.00 0.00 C ATOM 606 CD2 TYR A 39 -0.431 0.060 -11.026 1.00 0.00 C ATOM 607 CE1 TYR A 39 -2.736 0.452 -12.490 1.00 0.00 C ATOM 608 CE2 TYR A 39 -0.484 -0.342 -12.347 1.00 0.00 C ATOM 609 CZ TYR A 39 -1.639 -0.145 -13.074 1.00 0.00 C ATOM 610 OH TYR A 39 -1.696 -0.544 -14.390 1.00 0.00 O ATOM 0 H TYR A 39 0.147 -0.189 -7.564 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.655 0.484 -7.303 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.080 1.989 -8.845 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.432 1.401 -8.741 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.536 1.319 -10.716 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.475 -0.098 -10.459 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.639 0.606 -13.062 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.375 -0.808 -12.808 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.840 -0.945 -14.648 1.00 0.00 H new ATOM 620 N ALA A 40 -1.706 -2.169 -8.924 1.00 0.00 N ATOM 621 CA ALA A 40 -2.180 -3.378 -9.583 1.00 0.00 C ATOM 622 C ALA A 40 -3.278 -4.042 -8.764 1.00 0.00 C ATOM 623 O ALA A 40 -4.320 -4.421 -9.296 1.00 0.00 O ATOM 624 CB ALA A 40 -1.028 -4.347 -9.805 1.00 0.00 C ATOM 0 H ALA A 40 -0.712 -2.175 -8.695 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.594 -3.099 -10.552 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.398 -5.246 -10.298 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.271 -3.875 -10.431 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.588 -4.616 -8.844 1.00 0.00 H new ATOM 630 N TRP A 41 -3.037 -4.182 -7.467 1.00 0.00 N ATOM 631 CA TRP A 41 -4.013 -4.794 -6.574 1.00 0.00 C ATOM 632 C TRP A 41 -5.213 -3.875 -6.371 1.00 0.00 C ATOM 633 O TRP A 41 -6.342 -4.339 -6.212 1.00 0.00 O ATOM 634 CB TRP A 41 -3.374 -5.123 -5.225 1.00 0.00 C ATOM 635 CG TRP A 41 -2.387 -6.251 -5.285 1.00 0.00 C ATOM 636 CD1 TRP A 41 -1.039 -6.155 -5.486 1.00 0.00 C ATOM 637 CD2 TRP A 41 -2.673 -7.647 -5.141 1.00 0.00 C ATOM 638 NE1 TRP A 41 -0.470 -7.406 -5.475 1.00 0.00 N ATOM 639 CE2 TRP A 41 -1.452 -8.339 -5.266 1.00 0.00 C ATOM 640 CE3 TRP A 41 -3.842 -8.382 -4.918 1.00 0.00 C ATOM 641 CZ2 TRP A 41 -1.369 -9.726 -5.175 1.00 0.00 C ATOM 642 CZ3 TRP A 41 -3.758 -9.758 -4.829 1.00 0.00 C ATOM 643 CH2 TRP A 41 -2.529 -10.418 -4.956 1.00 0.00 C ATOM 0 H TRP A 41 -2.176 -3.881 -7.010 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.358 -5.719 -7.036 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.873 -4.233 -4.844 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.159 -5.376 -4.513 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.499 -5.231 -5.632 1.00 0.00 H new ATOM 0 HE1 TRP A 41 0.522 -7.607 -5.602 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.794 -7.882 -4.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.423 -10.237 -5.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.655 -10.335 -4.659 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.496 -11.495 -4.880 1.00 0.00 H new ATOM 654 N MET A 42 -4.960 -2.569 -6.377 1.00 0.00 N ATOM 655 CA MET A 42 -6.017 -1.580 -6.190 1.00 0.00 C ATOM 656 C MET A 42 -7.098 -1.710 -7.262 1.00 0.00 C ATOM 657 O MET A 42 -8.285 -1.539 -6.985 1.00 0.00 O ATOM 658 CB MET A 42 -5.421 -0.171 -6.218 1.00 0.00 C ATOM 659 CG MET A 42 -6.415 0.925 -5.869 1.00 0.00 C ATOM 660 SD MET A 42 -6.563 1.206 -4.091 1.00 0.00 S ATOM 661 CE MET A 42 -7.618 -0.158 -3.604 1.00 0.00 C ATOM 0 H MET A 42 -4.030 -2.171 -6.510 1.00 0.00 H new ATOM 0 HA MET A 42 -6.481 -1.761 -5.221 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.586 -0.126 -5.519 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.016 0.022 -7.211 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.109 1.852 -6.353 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.393 0.662 -6.272 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.445 0.219 -3.002 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.012 -0.649 -4.494 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.040 -0.874 -3.020 1.00 0.00 H new ATOM 671 N ARG A 43 -6.678 -2.014 -8.487 1.00 0.00 N ATOM 672 CA ARG A 43 -7.612 -2.163 -9.601 1.00 0.00 C ATOM 673 C ARG A 43 -8.205 -3.572 -9.646 1.00 0.00 C ATOM 674 O ARG A 43 -9.180 -3.817 -10.355 1.00 0.00 O ATOM 675 CB ARG A 43 -6.920 -1.844 -10.927 1.00 0.00 C ATOM 676 CG ARG A 43 -5.689 -2.691 -11.195 1.00 0.00 C ATOM 677 CD ARG A 43 -5.058 -2.347 -12.534 1.00 0.00 C ATOM 678 NE ARG A 43 -5.930 -2.681 -13.656 1.00 0.00 N ATOM 679 CZ ARG A 43 -5.585 -2.525 -14.931 1.00 0.00 C ATOM 680 NH1 ARG A 43 -4.390 -2.041 -15.243 1.00 0.00 N ATOM 681 NH2 ARG A 43 -6.435 -2.851 -15.896 1.00 0.00 N ATOM 0 H ARG A 43 -5.699 -2.162 -8.734 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.427 -1.456 -9.446 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.631 -1.986 -11.741 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.634 -0.792 -10.933 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.961 -2.539 -10.398 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.962 -3.746 -11.180 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.825 -1.283 -12.561 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.114 -2.883 -12.637 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.856 -3.055 -13.451 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.734 -1.788 -14.504 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.127 -1.922 -16.221 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.356 -3.222 -15.661 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.168 -2.730 -16.873 1.00 0.00 H new ATOM 695 N ARG A 44 -7.614 -4.492 -8.888 1.00 0.00 N ATOM 696 CA ARG A 44 -8.095 -5.872 -8.850 1.00 0.00 C ATOM 697 C ARG A 44 -9.247 -6.022 -7.860 1.00 0.00 C ATOM 698 O ARG A 44 -9.911 -7.058 -7.817 1.00 0.00 O ATOM 699 CB ARG A 44 -6.961 -6.829 -8.480 1.00 0.00 C ATOM 700 CG ARG A 44 -5.922 -6.992 -9.578 1.00 0.00 C ATOM 701 CD ARG A 44 -4.953 -8.118 -9.264 1.00 0.00 C ATOM 702 NE ARG A 44 -5.624 -9.413 -9.193 1.00 0.00 N ATOM 703 CZ ARG A 44 -4.983 -10.577 -9.206 1.00 0.00 C ATOM 704 NH1 ARG A 44 -3.659 -10.606 -9.284 1.00 0.00 N ATOM 705 NH2 ARG A 44 -5.665 -11.713 -9.142 1.00 0.00 N ATOM 0 H ARG A 44 -6.805 -4.309 -8.294 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.459 -6.125 -9.846 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.470 -6.466 -7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.383 -7.805 -8.243 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.421 -7.194 -10.526 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.371 -6.060 -9.700 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.178 -8.153 -10.029 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.456 -7.915 -8.315 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.642 -9.425 -9.130 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.132 -9.734 -9.334 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.168 -11.500 -9.294 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.683 -11.694 -9.083 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.171 -12.605 -9.152 1.00 0.00 H new ATOM 719 N LEU A 45 -9.476 -4.981 -7.068 1.00 0.00 N ATOM 720 CA LEU A 45 -10.552 -4.991 -6.087 1.00 0.00 C ATOM 721 C LEU A 45 -11.818 -4.380 -6.672 1.00 0.00 C ATOM 722 O LEU A 45 -12.911 -4.576 -6.150 1.00 0.00 O ATOM 723 CB LEU A 45 -10.152 -4.218 -4.836 1.00 0.00 C ATOM 724 CG LEU A 45 -8.758 -4.525 -4.285 1.00 0.00 C ATOM 725 CD1 LEU A 45 -8.427 -3.591 -3.131 1.00 0.00 C ATOM 726 CD2 LEU A 45 -8.665 -5.977 -3.840 1.00 0.00 C ATOM 0 H LEU A 45 -8.930 -4.120 -7.087 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.745 -6.030 -5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.209 -3.152 -5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.885 -4.422 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.030 -4.364 -5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.432 -3.822 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.451 -2.559 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.160 -3.722 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.666 -6.175 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.402 -6.166 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.860 -6.631 -4.690 1.00 0.00 H new ATOM 738 N CYS A 46 -11.656 -3.623 -7.750 1.00 0.00 N ATOM 739 CA CYS A 46 -12.782 -2.988 -8.423 1.00 0.00 C ATOM 740 C CYS A 46 -12.532 -2.916 -9.924 1.00 0.00 C ATOM 741 O CYS A 46 -11.557 -2.308 -10.370 1.00 0.00 O ATOM 742 CB CYS A 46 -13.015 -1.580 -7.877 1.00 0.00 C ATOM 743 SG CYS A 46 -14.564 -0.823 -8.423 1.00 0.00 S ATOM 0 H CYS A 46 -10.750 -3.433 -8.179 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.670 -3.592 -8.235 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -13.006 -1.618 -6.788 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -12.185 -0.942 -8.180 1.00 0.00 H new ATOM 0 HG CYS A 46 -15.353 -0.663 -7.402 1.00 0.00 H new ATOM 749 N GLU A 47 -13.410 -3.538 -10.703 1.00 0.00 N ATOM 750 CA GLU A 47 -13.274 -3.534 -12.154 1.00 0.00 C ATOM 751 C GLU A 47 -13.387 -2.111 -12.685 1.00 0.00 C ATOM 752 O GLU A 47 -12.854 -1.782 -13.744 1.00 0.00 O ATOM 753 CB GLU A 47 -14.338 -4.429 -12.795 1.00 0.00 C ATOM 754 CG GLU A 47 -15.756 -3.908 -12.627 1.00 0.00 C ATOM 755 CD GLU A 47 -16.368 -3.459 -13.939 1.00 0.00 C ATOM 756 OE1 GLU A 47 -16.060 -2.334 -14.384 1.00 0.00 O ATOM 757 OE2 GLU A 47 -17.154 -4.234 -14.523 1.00 0.00 O ATOM 0 H GLU A 47 -14.221 -4.050 -10.355 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.292 -3.929 -12.414 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.122 -4.531 -13.858 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.272 -5.426 -12.359 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.377 -4.689 -12.188 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.752 -3.073 -11.927 1.00 0.00 H new ATOM 764 N ARG A 48 -14.091 -1.272 -11.931 1.00 0.00 N ATOM 765 CA ARG A 48 -14.275 0.124 -12.300 1.00 0.00 C ATOM 766 C ARG A 48 -13.182 0.987 -11.678 1.00 0.00 C ATOM 767 O ARG A 48 -13.446 2.093 -11.203 1.00 0.00 O ATOM 768 CB ARG A 48 -15.650 0.617 -11.847 1.00 0.00 C ATOM 769 CG ARG A 48 -16.808 -0.147 -12.470 1.00 0.00 C ATOM 770 CD ARG A 48 -18.144 0.485 -12.118 1.00 0.00 C ATOM 771 NE ARG A 48 -18.222 1.875 -12.562 1.00 0.00 N ATOM 772 CZ ARG A 48 -19.329 2.609 -12.503 1.00 0.00 C ATOM 773 NH1 ARG A 48 -20.450 2.090 -12.020 1.00 0.00 N ATOM 774 NH2 ARG A 48 -19.314 3.864 -12.929 1.00 0.00 N ATOM 0 H ARG A 48 -14.545 -1.538 -11.057 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.211 0.204 -13.385 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.716 0.538 -10.762 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.748 1.674 -12.096 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.689 -0.170 -13.553 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.791 -1.181 -12.125 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -18.949 -0.089 -12.577 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -18.295 0.439 -11.039 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.378 2.307 -12.939 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.465 1.124 -11.692 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -21.297 2.657 -11.977 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.454 4.266 -13.302 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -20.163 4.428 -12.884 1.00 0.00 H new ATOM 788 N TYR A 49 -11.953 0.481 -11.693 1.00 0.00 N ATOM 789 CA TYR A 49 -10.822 1.203 -11.127 1.00 0.00 C ATOM 790 C TYR A 49 -9.793 1.531 -12.203 1.00 0.00 C ATOM 791 O TYR A 49 -8.978 0.687 -12.575 1.00 0.00 O ATOM 792 CB TYR A 49 -10.165 0.382 -10.020 1.00 0.00 C ATOM 793 CG TYR A 49 -9.783 1.203 -8.814 1.00 0.00 C ATOM 794 CD1 TYR A 49 -8.750 2.128 -8.877 1.00 0.00 C ATOM 795 CD2 TYR A 49 -10.463 1.058 -7.616 1.00 0.00 C ATOM 796 CE1 TYR A 49 -8.404 2.886 -7.774 1.00 0.00 C ATOM 797 CE2 TYR A 49 -10.128 1.810 -6.510 1.00 0.00 C ATOM 798 CZ TYR A 49 -9.098 2.725 -6.592 1.00 0.00 C ATOM 799 OH TYR A 49 -8.760 3.477 -5.492 1.00 0.00 O ATOM 0 H TYR A 49 -11.716 -0.427 -12.092 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.197 2.136 -10.706 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.848 -0.409 -9.711 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.274 -0.103 -10.418 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.208 2.258 -9.802 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.270 0.343 -7.547 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.596 3.600 -7.837 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.669 1.684 -5.584 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.116 2.982 -4.943 1.00 0.00 H new ATOM 809 N ASN A 50 -9.840 2.761 -12.702 1.00 0.00 N ATOM 810 CA ASN A 50 -8.909 3.204 -13.733 1.00 0.00 C ATOM 811 C ASN A 50 -7.585 3.648 -13.118 1.00 0.00 C ATOM 812 O ASN A 50 -6.571 3.752 -13.810 1.00 0.00 O ATOM 813 CB ASN A 50 -9.521 4.347 -14.545 1.00 0.00 C ATOM 814 CG ASN A 50 -10.682 3.886 -15.406 1.00 0.00 C ATOM 815 OD1 ASN A 50 -10.494 3.483 -16.553 1.00 0.00 O ATOM 816 ND2 ASN A 50 -11.888 3.942 -14.853 1.00 0.00 N ATOM 0 H ASN A 50 -10.513 3.469 -12.409 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.713 2.362 -14.397 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.863 5.129 -13.867 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.754 4.789 -15.180 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.707 3.643 -15.383 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.996 4.284 -13.898 1.00 0.00 H new ATOM 823 N GLY A 51 -7.602 3.908 -11.814 1.00 0.00 N ATOM 824 CA GLY A 51 -6.398 4.333 -11.121 1.00 0.00 C ATOM 825 C GLY A 51 -6.374 5.822 -10.851 1.00 0.00 C ATOM 826 O GLY A 51 -6.765 6.625 -11.699 1.00 0.00 O ATOM 0 H GLY A 51 -8.430 3.832 -11.223 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.319 3.795 -10.176 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.526 4.062 -11.716 1.00 0.00 H new ATOM 830 N ALA A 52 -5.910 6.187 -9.664 1.00 0.00 N ATOM 831 CA ALA A 52 -5.829 7.588 -9.263 1.00 0.00 C ATOM 832 C ALA A 52 -4.401 7.971 -8.881 1.00 0.00 C ATOM 833 O ALA A 52 -3.443 7.307 -9.280 1.00 0.00 O ATOM 834 CB ALA A 52 -6.774 7.843 -8.099 1.00 0.00 C ATOM 0 H ALA A 52 -5.582 5.529 -8.957 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.124 8.207 -10.110 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.711 8.890 -7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.795 7.613 -8.402 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.494 7.210 -7.257 1.00 0.00 H new ATOM 840 N TYR A 53 -4.265 9.045 -8.106 1.00 0.00 N ATOM 841 CA TYR A 53 -2.956 9.511 -7.668 1.00 0.00 C ATOM 842 C TYR A 53 -2.596 8.915 -6.312 1.00 0.00 C ATOM 843 O TYR A 53 -3.050 9.388 -5.270 1.00 0.00 O ATOM 844 CB TYR A 53 -2.930 11.037 -7.594 1.00 0.00 C ATOM 845 CG TYR A 53 -2.646 11.701 -8.923 1.00 0.00 C ATOM 846 CD1 TYR A 53 -1.421 11.530 -9.555 1.00 0.00 C ATOM 847 CD2 TYR A 53 -3.600 12.498 -9.543 1.00 0.00 C ATOM 848 CE1 TYR A 53 -1.154 12.135 -10.769 1.00 0.00 C ATOM 849 CE2 TYR A 53 -3.341 13.105 -10.756 1.00 0.00 C ATOM 850 CZ TYR A 53 -2.118 12.922 -11.365 1.00 0.00 C ATOM 851 OH TYR A 53 -1.857 13.525 -12.574 1.00 0.00 O ATOM 0 H TYR A 53 -5.047 9.607 -7.770 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.217 9.181 -8.398 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.890 11.391 -7.218 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.172 11.345 -6.874 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.665 10.914 -9.090 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.559 12.645 -9.069 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.197 11.993 -11.248 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.094 13.721 -11.226 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.639 14.043 -12.857 1.00 0.00 H new ATOM 861 N TRP A 54 -1.780 7.869 -6.340 1.00 0.00 N ATOM 862 CA TRP A 54 -1.358 7.185 -5.122 1.00 0.00 C ATOM 863 C TRP A 54 -0.217 7.935 -4.441 1.00 0.00 C ATOM 864 O TRP A 54 0.954 7.582 -4.589 1.00 0.00 O ATOM 865 CB TRP A 54 -0.939 5.754 -5.461 1.00 0.00 C ATOM 866 CG TRP A 54 -1.704 5.202 -6.624 1.00 0.00 C ATOM 867 CD1 TRP A 54 -3.009 4.802 -6.632 1.00 0.00 C ATOM 868 CD2 TRP A 54 -1.216 5.008 -7.956 1.00 0.00 C ATOM 869 NE1 TRP A 54 -3.364 4.374 -7.887 1.00 0.00 N ATOM 870 CE2 TRP A 54 -2.280 4.487 -8.718 1.00 0.00 C ATOM 871 CE3 TRP A 54 0.017 5.223 -8.580 1.00 0.00 C ATOM 872 CZ2 TRP A 54 -2.146 4.181 -10.070 1.00 0.00 C ATOM 873 CZ3 TRP A 54 0.148 4.918 -9.920 1.00 0.00 C ATOM 874 CH2 TRP A 54 -0.929 4.402 -10.653 1.00 0.00 C ATOM 0 H TRP A 54 -1.395 7.473 -7.198 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.195 7.157 -4.425 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.127 5.733 -5.687 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -1.093 5.116 -4.591 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.667 4.820 -5.775 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.285 4.028 -8.157 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.852 5.621 -8.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.974 3.783 -10.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.096 5.080 -10.411 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.795 4.174 -11.700 1.00 0.00 H new ATOM 885 N HIS A 55 -0.581 8.980 -3.706 1.00 0.00 N ATOM 886 CA HIS A 55 0.384 9.805 -2.995 1.00 0.00 C ATOM 887 C HIS A 55 1.332 8.956 -2.164 1.00 0.00 C ATOM 888 O HIS A 55 0.961 7.895 -1.662 1.00 0.00 O ATOM 889 CB HIS A 55 -0.337 10.805 -2.090 1.00 0.00 C ATOM 890 CG HIS A 55 -1.301 11.689 -2.817 1.00 0.00 C ATOM 891 ND1 HIS A 55 -0.931 12.870 -3.424 1.00 0.00 N ATOM 892 CD2 HIS A 55 -2.632 11.561 -3.028 1.00 0.00 C ATOM 893 CE1 HIS A 55 -1.991 13.432 -3.975 1.00 0.00 C ATOM 894 NE2 HIS A 55 -3.038 12.658 -3.750 1.00 0.00 N ATOM 0 H HIS A 55 -1.550 9.277 -3.588 1.00 0.00 H new ATOM 0 HA HIS A 55 0.969 10.345 -3.739 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -0.873 10.258 -1.314 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.404 11.427 -1.588 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.258 10.748 -2.692 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.001 14.366 -4.518 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.991 12.844 -4.061 1.00 0.00 H new ATOM 903 N TYR A 56 2.557 9.437 -2.028 1.00 0.00 N ATOM 904 CA TYR A 56 3.569 8.739 -1.252 1.00 0.00 C ATOM 905 C TYR A 56 3.553 9.230 0.190 1.00 0.00 C ATOM 906 O TYR A 56 3.522 10.434 0.444 1.00 0.00 O ATOM 907 CB TYR A 56 4.955 8.940 -1.873 1.00 0.00 C ATOM 908 CG TYR A 56 5.033 8.550 -3.334 1.00 0.00 C ATOM 909 CD1 TYR A 56 4.232 7.536 -3.851 1.00 0.00 C ATOM 910 CD2 TYR A 56 5.905 9.199 -4.200 1.00 0.00 C ATOM 911 CE1 TYR A 56 4.301 7.182 -5.186 1.00 0.00 C ATOM 912 CE2 TYR A 56 5.978 8.850 -5.536 1.00 0.00 C ATOM 913 CZ TYR A 56 5.174 7.842 -6.024 1.00 0.00 C ATOM 914 OH TYR A 56 5.244 7.493 -7.352 1.00 0.00 O ATOM 0 H TYR A 56 2.875 10.311 -2.446 1.00 0.00 H new ATOM 0 HA TYR A 56 3.343 7.673 -1.261 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.240 9.987 -1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.683 8.355 -1.311 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.545 7.017 -3.199 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.537 9.990 -3.823 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.673 6.392 -5.570 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.662 9.365 -6.194 1.00 0.00 H new ATOM 0 HH TYR A 56 5.908 8.055 -7.803 1.00 0.00 H new ATOM 924 N TYR A 57 3.574 8.293 1.129 1.00 0.00 N ATOM 925 CA TYR A 57 3.545 8.639 2.544 1.00 0.00 C ATOM 926 C TYR A 57 4.805 8.173 3.264 1.00 0.00 C ATOM 927 O TYR A 57 5.332 7.096 2.986 1.00 0.00 O ATOM 928 CB TYR A 57 2.307 8.042 3.208 1.00 0.00 C ATOM 929 CG TYR A 57 1.042 8.818 2.924 1.00 0.00 C ATOM 930 CD1 TYR A 57 0.259 8.534 1.811 1.00 0.00 C ATOM 931 CD2 TYR A 57 0.634 9.840 3.770 1.00 0.00 C ATOM 932 CE1 TYR A 57 -0.895 9.249 1.552 1.00 0.00 C ATOM 933 CE2 TYR A 57 -0.518 10.558 3.518 1.00 0.00 C ATOM 934 CZ TYR A 57 -1.279 10.259 2.407 1.00 0.00 C ATOM 935 OH TYR A 57 -2.428 10.973 2.153 1.00 0.00 O ATOM 0 H TYR A 57 3.611 7.292 0.938 1.00 0.00 H new ATOM 0 HA TYR A 57 3.504 9.726 2.618 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.179 7.015 2.866 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.465 8.001 4.286 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.557 7.743 1.139 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.228 10.078 4.640 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.493 9.017 0.683 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.822 11.349 4.187 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.555 11.647 2.852 1.00 0.00 H new ATOM 945 N ALA A 58 5.278 8.997 4.194 1.00 0.00 N ATOM 946 CA ALA A 58 6.473 8.683 4.966 1.00 0.00 C ATOM 947 C ALA A 58 6.117 8.300 6.397 1.00 0.00 C ATOM 948 O ALA A 58 5.983 9.161 7.266 1.00 0.00 O ATOM 949 CB ALA A 58 7.433 9.863 4.962 1.00 0.00 C ATOM 0 H ALA A 58 4.849 9.891 4.431 1.00 0.00 H new ATOM 0 HA ALA A 58 6.961 7.829 4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.320 9.612 5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.723 10.092 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.944 10.731 5.403 1.00 0.00 H new ATOM 955 N LEU A 59 5.959 7.003 6.634 1.00 0.00 N ATOM 956 CA LEU A 59 5.621 6.502 7.960 1.00 0.00 C ATOM 957 C LEU A 59 6.760 6.751 8.944 1.00 0.00 C ATOM 958 O LEU A 59 7.934 6.722 8.574 1.00 0.00 O ATOM 959 CB LEU A 59 5.285 5.014 7.888 1.00 0.00 C ATOM 960 CG LEU A 59 3.811 4.701 7.627 1.00 0.00 C ATOM 961 CD1 LEU A 59 3.660 3.310 7.033 1.00 0.00 C ATOM 962 CD2 LEU A 59 3.008 4.825 8.913 1.00 0.00 C ATOM 0 H LEU A 59 6.060 6.278 5.923 1.00 0.00 H new ATOM 0 HA LEU A 59 4.745 7.042 8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.884 4.559 7.099 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.581 4.543 8.825 1.00 0.00 H new ATOM 0 HG LEU A 59 3.424 5.424 6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.605 3.104 6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.206 3.255 6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.061 2.572 7.728 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.961 4.599 8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.395 4.124 9.652 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.092 5.841 9.298 1.00 0.00 H new ATOM 974 N SER A 60 6.399 6.996 10.199 1.00 0.00 N ATOM 975 CA SER A 60 7.381 7.271 11.244 1.00 0.00 C ATOM 976 C SER A 60 8.207 6.035 11.576 1.00 0.00 C ATOM 977 O SER A 60 9.289 6.139 12.154 1.00 0.00 O ATOM 978 CB SER A 60 6.681 7.782 12.505 1.00 0.00 C ATOM 979 OG SER A 60 7.617 8.065 13.529 1.00 0.00 O ATOM 0 H SER A 60 5.431 7.010 10.519 1.00 0.00 H new ATOM 0 HA SER A 60 8.058 8.038 10.868 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.112 8.681 12.270 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.968 7.036 12.856 1.00 0.00 H new ATOM 0 HG SER A 60 7.144 8.391 14.323 1.00 0.00 H new ATOM 985 N ASP A 61 7.696 4.864 11.212 1.00 0.00 N ATOM 986 CA ASP A 61 8.399 3.615 11.482 1.00 0.00 C ATOM 987 C ASP A 61 9.344 3.267 10.337 1.00 0.00 C ATOM 988 O ASP A 61 10.401 2.674 10.550 1.00 0.00 O ATOM 989 CB ASP A 61 7.402 2.478 11.704 1.00 0.00 C ATOM 990 CG ASP A 61 8.033 1.285 12.395 1.00 0.00 C ATOM 991 OD1 ASP A 61 9.064 0.787 11.897 1.00 0.00 O ATOM 992 OD2 ASP A 61 7.496 0.849 13.435 1.00 0.00 O ATOM 0 H ASP A 61 6.803 4.753 10.732 1.00 0.00 H new ATOM 0 HA ASP A 61 8.989 3.748 12.389 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.567 2.842 12.303 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.993 2.164 10.744 1.00 0.00 H new ATOM 997 N GLY A 62 8.958 3.645 9.122 1.00 0.00 N ATOM 998 CA GLY A 62 9.782 3.363 7.961 1.00 0.00 C ATOM 999 C GLY A 62 9.155 2.334 7.040 1.00 0.00 C ATOM 1000 O GLY A 62 9.859 1.536 6.421 1.00 0.00 O ATOM 0 H GLY A 62 8.090 4.141 8.921 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.952 4.286 7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.757 3.005 8.290 1.00 0.00 H new ATOM 1004 N GLY A 63 7.829 2.353 6.950 1.00 0.00 N ATOM 1005 CA GLY A 63 7.128 1.412 6.096 1.00 0.00 C ATOM 1006 C GLY A 63 6.799 1.998 4.737 1.00 0.00 C ATOM 1007 O GLY A 63 6.962 1.333 3.713 1.00 0.00 O ATOM 0 H GLY A 63 7.227 3.004 7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.740 0.519 5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.206 1.098 6.586 1.00 0.00 H new ATOM 1011 N PHE A 64 6.338 3.248 4.732 1.00 0.00 N ATOM 1012 CA PHE A 64 5.982 3.937 3.494 1.00 0.00 C ATOM 1013 C PHE A 64 4.819 3.246 2.789 1.00 0.00 C ATOM 1014 O PHE A 64 4.938 2.106 2.339 1.00 0.00 O ATOM 1015 CB PHE A 64 7.194 4.022 2.558 1.00 0.00 C ATOM 1016 CG PHE A 64 6.830 4.140 1.102 1.00 0.00 C ATOM 1017 CD1 PHE A 64 6.259 5.301 0.607 1.00 0.00 C ATOM 1018 CD2 PHE A 64 7.057 3.085 0.234 1.00 0.00 C ATOM 1019 CE1 PHE A 64 5.922 5.408 -0.729 1.00 0.00 C ATOM 1020 CE2 PHE A 64 6.723 3.187 -1.103 1.00 0.00 C ATOM 1021 CZ PHE A 64 6.155 4.349 -1.585 1.00 0.00 C ATOM 0 H PHE A 64 6.202 3.805 5.575 1.00 0.00 H new ATOM 0 HA PHE A 64 5.666 4.947 3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.801 4.882 2.842 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.812 3.135 2.698 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.075 6.132 1.272 1.00 0.00 H new ATOM 0 HD2 PHE A 64 7.500 2.173 0.606 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.477 6.318 -1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.906 2.358 -1.770 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.893 4.430 -2.630 1.00 0.00 H new ATOM 1031 N TYR A 65 3.692 3.945 2.699 1.00 0.00 N ATOM 1032 CA TYR A 65 2.513 3.401 2.035 1.00 0.00 C ATOM 1033 C TYR A 65 1.945 4.397 1.024 1.00 0.00 C ATOM 1034 O TYR A 65 2.018 5.610 1.221 1.00 0.00 O ATOM 1035 CB TYR A 65 1.445 3.010 3.066 1.00 0.00 C ATOM 1036 CG TYR A 65 0.458 4.107 3.392 1.00 0.00 C ATOM 1037 CD1 TYR A 65 0.749 5.075 4.345 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -0.770 4.171 2.745 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -0.157 6.076 4.645 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -1.680 5.169 3.038 1.00 0.00 C ATOM 1041 CZ TYR A 65 -1.369 6.119 3.987 1.00 0.00 C ATOM 1042 OH TYR A 65 -2.273 7.114 4.283 1.00 0.00 O ATOM 0 H TYR A 65 3.570 4.885 3.076 1.00 0.00 H new ATOM 0 HA TYR A 65 2.814 2.505 1.493 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.897 2.145 2.693 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.942 2.700 3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.698 5.045 4.860 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.017 3.429 2.001 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.083 6.820 5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.630 5.204 2.526 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.075 7.002 3.731 1.00 0.00 H new ATOM 1052 N MET A 66 1.384 3.871 -0.059 1.00 0.00 N ATOM 1053 CA MET A 66 0.800 4.700 -1.113 1.00 0.00 C ATOM 1054 C MET A 66 -0.721 4.674 -1.041 1.00 0.00 C ATOM 1055 O MET A 66 -1.329 3.610 -0.920 1.00 0.00 O ATOM 1056 CB MET A 66 1.262 4.206 -2.486 1.00 0.00 C ATOM 1057 CG MET A 66 2.768 4.283 -2.688 1.00 0.00 C ATOM 1058 SD MET A 66 3.336 3.287 -4.081 1.00 0.00 S ATOM 1059 CE MET A 66 2.416 4.021 -5.432 1.00 0.00 C ATOM 0 H MET A 66 1.320 2.868 -0.233 1.00 0.00 H new ATOM 0 HA MET A 66 1.137 5.726 -0.967 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.939 3.174 -2.619 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.770 4.796 -3.259 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.056 5.322 -2.848 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.270 3.949 -1.780 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.766 3.607 -6.378 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.355 3.802 -5.311 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.566 5.101 -5.430 1.00 0.00 H new ATOM 1069 N ALA A 67 -1.331 5.851 -1.117 1.00 0.00 N ATOM 1070 CA ALA A 67 -2.786 5.956 -1.060 1.00 0.00 C ATOM 1071 C ALA A 67 -3.334 6.767 -2.232 1.00 0.00 C ATOM 1072 O ALA A 67 -2.919 7.906 -2.455 1.00 0.00 O ATOM 1073 CB ALA A 67 -3.220 6.579 0.258 1.00 0.00 C ATOM 0 H ALA A 67 -0.845 6.742 -1.218 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.195 4.948 -1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.307 6.651 0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.876 5.958 1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.788 7.576 0.349 1.00 0.00 H new ATOM 1079 N PRO A 68 -4.276 6.188 -3.001 1.00 0.00 N ATOM 1080 CA PRO A 68 -4.885 6.869 -4.149 1.00 0.00 C ATOM 1081 C PRO A 68 -5.579 8.161 -3.737 1.00 0.00 C ATOM 1082 O PRO A 68 -5.955 8.331 -2.577 1.00 0.00 O ATOM 1083 CB PRO A 68 -5.911 5.860 -4.676 1.00 0.00 C ATOM 1084 CG PRO A 68 -5.477 4.542 -4.133 1.00 0.00 C ATOM 1085 CD PRO A 68 -4.817 4.832 -2.815 1.00 0.00 C ATOM 0 HA PRO A 68 -4.141 7.157 -4.892 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.918 6.111 -4.342 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.930 5.850 -5.766 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.329 3.874 -4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.785 4.048 -4.815 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.529 4.792 -1.991 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.030 4.112 -2.592 1.00 0.00 H new ATOM 1093 N ASP A 69 -5.746 9.072 -4.689 1.00 0.00 N ATOM 1094 CA ASP A 69 -6.393 10.348 -4.415 1.00 0.00 C ATOM 1095 C ASP A 69 -7.846 10.348 -4.884 1.00 0.00 C ATOM 1096 O ASP A 69 -8.151 10.803 -5.987 1.00 0.00 O ATOM 1097 CB ASP A 69 -5.626 11.486 -5.091 1.00 0.00 C ATOM 1098 CG ASP A 69 -6.189 12.850 -4.743 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -5.904 13.345 -3.633 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -6.918 13.423 -5.580 1.00 0.00 O ATOM 0 H ASP A 69 -5.443 8.950 -5.655 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.386 10.500 -3.336 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.578 11.442 -4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.656 11.349 -6.172 1.00 0.00 H new ATOM 1105 N LEU A 70 -8.737 9.827 -4.044 1.00 0.00 N ATOM 1106 CA LEU A 70 -10.160 9.778 -4.369 1.00 0.00 C ATOM 1107 C LEU A 70 -11.006 10.042 -3.127 1.00 0.00 C ATOM 1108 O LEU A 70 -10.993 9.261 -2.176 1.00 0.00 O ATOM 1109 CB LEU A 70 -10.531 8.423 -4.979 1.00 0.00 C ATOM 1110 CG LEU A 70 -9.781 8.057 -6.263 1.00 0.00 C ATOM 1111 CD1 LEU A 70 -10.039 6.604 -6.632 1.00 0.00 C ATOM 1112 CD2 LEU A 70 -10.192 8.978 -7.402 1.00 0.00 C ATOM 0 H LEU A 70 -8.499 9.433 -3.134 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.364 10.558 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.348 7.646 -4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.601 8.418 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.713 8.184 -6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.499 6.360 -7.547 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.696 5.957 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.107 6.453 -6.790 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.649 8.703 -8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.263 8.882 -7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.959 10.010 -7.138 1.00 0.00 H new ATOM 1124 N ALA A 71 -11.742 11.148 -3.146 1.00 0.00 N ATOM 1125 CA ALA A 71 -12.592 11.524 -2.021 1.00 0.00 C ATOM 1126 C ALA A 71 -14.038 11.091 -2.243 1.00 0.00 C ATOM 1127 O ALA A 71 -14.706 11.573 -3.157 1.00 0.00 O ATOM 1128 CB ALA A 71 -12.519 13.025 -1.789 1.00 0.00 C ATOM 0 H ALA A 71 -11.767 11.801 -3.929 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.224 11.007 -1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -13.157 13.295 -0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.490 13.310 -1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.858 13.548 -2.683 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.513 10.179 -1.398 1.00 0.00 N ATOM 1135 CA GLY A 72 -15.880 9.699 -1.515 1.00 0.00 C ATOM 1136 C GLY A 72 -16.021 8.234 -1.147 1.00 0.00 C ATOM 1137 O GLY A 72 -15.108 7.640 -0.574 1.00 0.00 O ATOM 0 H GLY A 72 -13.977 9.764 -0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.526 10.295 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.226 9.847 -2.538 1.00 0.00 H new ATOM 1141 N ARG A 73 -17.170 7.653 -1.480 1.00 0.00 N ATOM 1142 CA ARG A 73 -17.432 6.251 -1.189 1.00 0.00 C ATOM 1143 C ARG A 73 -17.074 5.397 -2.396 1.00 0.00 C ATOM 1144 O ARG A 73 -17.787 5.387 -3.400 1.00 0.00 O ATOM 1145 CB ARG A 73 -18.902 6.041 -0.810 1.00 0.00 C ATOM 1146 CG ARG A 73 -19.386 6.952 0.310 1.00 0.00 C ATOM 1147 CD ARG A 73 -18.564 6.776 1.578 1.00 0.00 C ATOM 1148 NE ARG A 73 -18.612 5.405 2.082 1.00 0.00 N ATOM 1149 CZ ARG A 73 -18.051 5.020 3.225 1.00 0.00 C ATOM 1150 NH1 ARG A 73 -17.406 5.901 3.980 1.00 0.00 N ATOM 1151 NH2 ARG A 73 -18.133 3.755 3.614 1.00 0.00 N ATOM 0 H ARG A 73 -17.935 8.135 -1.953 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.815 5.951 -0.342 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -19.521 6.205 -1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -19.045 5.003 -0.508 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -19.331 7.990 -0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.434 6.740 0.524 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.528 7.052 1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -18.933 7.456 2.345 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.103 4.704 1.526 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.340 6.875 3.684 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.976 5.604 4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.627 3.075 3.036 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.702 3.462 4.491 1.00 0.00 H new ATOM 1165 N LEU A 74 -15.965 4.682 -2.287 1.00 0.00 N ATOM 1166 CA LEU A 74 -15.490 3.834 -3.374 1.00 0.00 C ATOM 1167 C LEU A 74 -15.846 2.372 -3.134 1.00 0.00 C ATOM 1168 O LEU A 74 -15.286 1.724 -2.250 1.00 0.00 O ATOM 1169 CB LEU A 74 -13.975 3.984 -3.531 1.00 0.00 C ATOM 1170 CG LEU A 74 -13.492 5.412 -3.794 1.00 0.00 C ATOM 1171 CD1 LEU A 74 -11.976 5.491 -3.693 1.00 0.00 C ATOM 1172 CD2 LEU A 74 -13.965 5.894 -5.157 1.00 0.00 C ATOM 0 H LEU A 74 -15.374 4.671 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 74 -15.983 4.155 -4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.492 3.614 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.645 3.347 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 74 -13.920 6.065 -3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.652 6.514 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.662 5.190 -2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.527 4.825 -4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.612 6.911 -5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.568 5.239 -5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -15.054 5.878 -5.191 1.00 0.00 H new ATOM 1184 N GLU A 75 -16.785 1.858 -3.925 1.00 0.00 N ATOM 1185 CA GLU A 75 -17.208 0.469 -3.802 1.00 0.00 C ATOM 1186 C GLU A 75 -16.094 -0.467 -4.262 1.00 0.00 C ATOM 1187 O GLU A 75 -15.946 -0.742 -5.453 1.00 0.00 O ATOM 1188 CB GLU A 75 -18.485 0.223 -4.612 1.00 0.00 C ATOM 1189 CG GLU A 75 -18.418 0.745 -6.039 1.00 0.00 C ATOM 1190 CD GLU A 75 -19.702 0.503 -6.808 1.00 0.00 C ATOM 1191 OE1 GLU A 75 -19.821 -0.565 -7.444 1.00 0.00 O ATOM 1192 OE2 GLU A 75 -20.590 1.381 -6.773 1.00 0.00 O ATOM 0 H GLU A 75 -17.265 2.383 -4.656 1.00 0.00 H new ATOM 0 HA GLU A 75 -17.422 0.263 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -18.688 -0.848 -4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -19.324 0.695 -4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -18.205 1.814 -6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -17.590 0.263 -6.560 1.00 0.00 H new ATOM 1199 N ILE A 76 -15.310 -0.950 -3.304 1.00 0.00 N ATOM 1200 CA ILE A 76 -14.195 -1.842 -3.600 1.00 0.00 C ATOM 1201 C ILE A 76 -14.448 -3.256 -3.083 1.00 0.00 C ATOM 1202 O ILE A 76 -14.485 -3.491 -1.874 1.00 0.00 O ATOM 1203 CB ILE A 76 -12.882 -1.291 -2.996 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -12.197 -0.342 -3.988 1.00 0.00 C ATOM 1205 CG2 ILE A 76 -11.943 -2.422 -2.591 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -11.319 -1.041 -5.003 1.00 0.00 C ATOM 0 H ILE A 76 -15.427 -0.738 -2.313 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.100 -1.891 -4.685 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.131 -0.731 -2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.961 0.229 -4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.592 0.374 -3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.029 -2.003 -2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.431 -3.051 -1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.697 -3.022 -3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.871 -0.302 -5.667 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.531 -1.589 -4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.921 -1.736 -5.588 1.00 0.00 H new ATOM 1218 N GLU A 77 -14.644 -4.192 -4.007 1.00 0.00 N ATOM 1219 CA GLU A 77 -14.869 -5.586 -3.640 1.00 0.00 C ATOM 1220 C GLU A 77 -13.534 -6.298 -3.455 1.00 0.00 C ATOM 1221 O GLU A 77 -12.842 -6.616 -4.422 1.00 0.00 O ATOM 1222 CB GLU A 77 -15.727 -6.305 -4.689 1.00 0.00 C ATOM 1223 CG GLU A 77 -15.226 -6.154 -6.115 1.00 0.00 C ATOM 1224 CD GLU A 77 -16.075 -6.911 -7.116 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -17.086 -6.347 -7.585 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -15.729 -8.069 -7.433 1.00 0.00 O ATOM 0 H GLU A 77 -14.652 -4.012 -5.011 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.415 -5.609 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.770 -7.366 -4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.746 -5.923 -4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.213 -5.097 -6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.198 -6.510 -6.174 1.00 0.00 H new ATOM 1233 N VAL A 78 -13.181 -6.536 -2.200 1.00 0.00 N ATOM 1234 CA VAL A 78 -11.928 -7.177 -1.860 1.00 0.00 C ATOM 1235 C VAL A 78 -11.953 -8.662 -2.199 1.00 0.00 C ATOM 1236 O VAL A 78 -12.426 -9.475 -1.406 1.00 0.00 O ATOM 1237 CB VAL A 78 -11.638 -6.999 -0.362 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -10.258 -7.505 -0.022 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -11.790 -5.541 0.043 1.00 0.00 C ATOM 0 H VAL A 78 -13.756 -6.290 -1.394 1.00 0.00 H new ATOM 0 HA VAL A 78 -11.141 -6.704 -2.448 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.364 -7.588 0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.073 -7.369 1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.187 -8.564 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.515 -6.948 -0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.581 -5.435 1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.090 -4.930 -0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.809 -5.211 -0.161 1.00 0.00 H new ATOM 1249 N ASN A 79 -11.448 -9.015 -3.380 1.00 0.00 N ATOM 1250 CA ASN A 79 -11.420 -10.411 -3.806 1.00 0.00 C ATOM 1251 C ASN A 79 -10.512 -11.233 -2.900 1.00 0.00 C ATOM 1252 O ASN A 79 -10.769 -12.411 -2.652 1.00 0.00 O ATOM 1253 CB ASN A 79 -10.937 -10.514 -5.253 1.00 0.00 C ATOM 1254 CG ASN A 79 -9.471 -10.153 -5.404 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -8.595 -11.013 -5.311 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -9.197 -8.874 -5.633 1.00 0.00 N ATOM 0 H ASN A 79 -11.055 -8.358 -4.054 1.00 0.00 H new ATOM 0 HA ASN A 79 -12.433 -10.807 -3.738 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -11.097 -11.530 -5.614 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.537 -9.855 -5.880 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.229 -8.571 -5.739 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.955 -8.195 -5.703 1.00 0.00 H new ATOM 1263 N GLY A 80 -9.441 -10.600 -2.424 1.00 0.00 N ATOM 1264 CA GLY A 80 -8.495 -11.264 -1.543 1.00 0.00 C ATOM 1265 C GLY A 80 -9.160 -12.165 -0.516 1.00 0.00 C ATOM 1266 O GLY A 80 -8.574 -13.159 -0.086 1.00 0.00 O ATOM 0 H GLY A 80 -9.211 -9.629 -2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.805 -11.857 -2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.901 -10.511 -1.025 1.00 0.00 H new ATOM 1270 N ASN A 81 -10.383 -11.820 -0.121 1.00 0.00 N ATOM 1271 CA ASN A 81 -11.118 -12.614 0.853 1.00 0.00 C ATOM 1272 C ASN A 81 -12.627 -12.449 0.679 1.00 0.00 C ATOM 1273 O ASN A 81 -13.405 -12.830 1.555 1.00 0.00 O ATOM 1274 CB ASN A 81 -10.701 -12.230 2.271 1.00 0.00 C ATOM 1275 CG ASN A 81 -11.072 -10.806 2.619 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -12.145 -10.551 3.162 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -10.180 -9.870 2.315 1.00 0.00 N ATOM 0 H ASN A 81 -10.883 -10.998 -0.461 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.875 -13.663 0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.173 -12.909 2.981 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.624 -12.357 2.376 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.373 -8.892 2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.302 -10.129 1.864 1.00 0.00 H new ATOM 1284 N GLY A 82 -13.036 -11.885 -0.456 1.00 0.00 N ATOM 1285 CA GLY A 82 -14.450 -11.700 -0.730 1.00 0.00 C ATOM 1286 C GLY A 82 -15.114 -10.663 0.155 1.00 0.00 C ATOM 1287 O GLY A 82 -16.339 -10.650 0.282 1.00 0.00 O ATOM 0 H GLY A 82 -12.411 -11.553 -1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.573 -11.407 -1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.963 -12.654 -0.604 1.00 0.00 H new ATOM 1291 N PHE A 83 -14.321 -9.792 0.771 1.00 0.00 N ATOM 1292 CA PHE A 83 -14.873 -8.761 1.638 1.00 0.00 C ATOM 1293 C PHE A 83 -15.325 -7.553 0.833 1.00 0.00 C ATOM 1294 O PHE A 83 -14.536 -6.652 0.546 1.00 0.00 O ATOM 1295 CB PHE A 83 -13.848 -8.327 2.688 1.00 0.00 C ATOM 1296 CG PHE A 83 -14.323 -7.202 3.563 1.00 0.00 C ATOM 1297 CD1 PHE A 83 -15.443 -7.354 4.362 1.00 0.00 C ATOM 1298 CD2 PHE A 83 -13.649 -5.992 3.582 1.00 0.00 C ATOM 1299 CE1 PHE A 83 -15.884 -6.320 5.166 1.00 0.00 C ATOM 1300 CE2 PHE A 83 -14.085 -4.954 4.384 1.00 0.00 C ATOM 1301 CZ PHE A 83 -15.203 -5.118 5.177 1.00 0.00 C ATOM 0 H PHE A 83 -13.305 -9.780 0.687 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.739 -9.187 2.144 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -13.598 -9.183 3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.931 -8.022 2.184 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.979 -8.292 4.357 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.774 -5.858 2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.759 -6.451 5.785 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.551 -4.015 4.390 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.545 -4.308 5.805 1.00 0.00 H new ATOM 1311 N ARG A 84 -16.597 -7.542 0.461 1.00 0.00 N ATOM 1312 CA ARG A 84 -17.148 -6.432 -0.296 1.00 0.00 C ATOM 1313 C ARG A 84 -17.480 -5.282 0.637 1.00 0.00 C ATOM 1314 O ARG A 84 -18.419 -5.361 1.428 1.00 0.00 O ATOM 1315 CB ARG A 84 -18.394 -6.866 -1.066 1.00 0.00 C ATOM 1316 CG ARG A 84 -18.075 -7.572 -2.370 1.00 0.00 C ATOM 1317 CD ARG A 84 -19.338 -7.932 -3.134 1.00 0.00 C ATOM 1318 NE ARG A 84 -19.046 -8.669 -4.361 1.00 0.00 N ATOM 1319 CZ ARG A 84 -19.983 -9.195 -5.144 1.00 0.00 C ATOM 1320 NH1 ARG A 84 -21.265 -9.066 -4.830 1.00 0.00 N ATOM 1321 NH2 ARG A 84 -19.639 -9.851 -6.244 1.00 0.00 N ATOM 0 H ARG A 84 -17.262 -8.286 0.671 1.00 0.00 H new ATOM 0 HA ARG A 84 -16.401 -6.100 -1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.989 -7.529 -0.438 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -19.007 -5.990 -1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -17.446 -6.931 -2.987 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -17.503 -8.477 -2.164 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -19.988 -8.532 -2.497 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -19.885 -7.022 -3.380 1.00 0.00 H new ATOM 0 HE ARG A 84 -18.070 -8.787 -4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -21.535 -8.562 -3.985 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -21.981 -9.471 -5.433 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -18.654 -9.953 -6.490 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -20.359 -10.254 -6.844 1.00 0.00 H new ATOM 1335 N GLY A 85 -16.703 -4.211 0.540 1.00 0.00 N ATOM 1336 CA GLY A 85 -16.934 -3.067 1.402 1.00 0.00 C ATOM 1337 C GLY A 85 -16.452 -1.759 0.810 1.00 0.00 C ATOM 1338 O GLY A 85 -15.258 -1.579 0.573 1.00 0.00 O ATOM 0 H GLY A 85 -15.925 -4.113 -0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.001 -2.990 1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.432 -3.233 2.355 1.00 0.00 H new ATOM 1342 N GLU A 86 -17.387 -0.844 0.570 1.00 0.00 N ATOM 1343 CA GLU A 86 -17.050 0.463 0.022 1.00 0.00 C ATOM 1344 C GLU A 86 -16.298 1.282 1.064 1.00 0.00 C ATOM 1345 O GLU A 86 -16.783 1.480 2.178 1.00 0.00 O ATOM 1346 CB GLU A 86 -18.315 1.201 -0.422 1.00 0.00 C ATOM 1347 CG GLU A 86 -19.366 1.325 0.671 1.00 0.00 C ATOM 1348 CD GLU A 86 -20.609 2.054 0.204 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -20.655 3.296 0.335 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -21.539 1.384 -0.292 1.00 0.00 O ATOM 0 H GLU A 86 -18.382 -0.985 0.747 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.411 0.324 -0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.041 2.199 -0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -18.750 0.679 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.642 0.330 1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.938 1.853 1.523 1.00 0.00 H new ATOM 1357 N LEU A 87 -15.114 1.757 0.699 1.00 0.00 N ATOM 1358 CA LEU A 87 -14.294 2.535 1.618 1.00 0.00 C ATOM 1359 C LEU A 87 -13.649 3.720 0.910 1.00 0.00 C ATOM 1360 O LEU A 87 -13.823 3.907 -0.295 1.00 0.00 O ATOM 1361 CB LEU A 87 -13.215 1.638 2.232 1.00 0.00 C ATOM 1362 CG LEU A 87 -13.010 1.792 3.742 1.00 0.00 C ATOM 1363 CD1 LEU A 87 -14.323 1.607 4.488 1.00 0.00 C ATOM 1364 CD2 LEU A 87 -11.974 0.795 4.237 1.00 0.00 C ATOM 0 H LEU A 87 -14.701 1.618 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.936 2.924 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.468 0.599 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.269 1.843 1.732 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.647 2.801 3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -14.152 1.721 5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -15.040 2.356 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -14.718 0.611 4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.838 0.915 5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.314 -0.219 4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.026 0.973 3.729 1.00 0.00 H new ATOM 1376 N SER A 88 -12.904 4.518 1.666 1.00 0.00 N ATOM 1377 CA SER A 88 -12.228 5.685 1.113 1.00 0.00 C ATOM 1378 C SER A 88 -10.932 5.280 0.422 1.00 0.00 C ATOM 1379 O SER A 88 -10.391 4.205 0.679 1.00 0.00 O ATOM 1380 CB SER A 88 -11.935 6.701 2.217 1.00 0.00 C ATOM 1381 OG SER A 88 -13.132 7.144 2.834 1.00 0.00 O ATOM 0 H SER A 88 -12.753 4.378 2.665 1.00 0.00 H new ATOM 0 HA SER A 88 -12.887 6.143 0.375 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.282 6.252 2.965 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.401 7.554 1.798 1.00 0.00 H new ATOM 0 HG SER A 88 -12.917 7.792 3.537 1.00 0.00 H new ATOM 1387 N ALA A 89 -10.437 6.146 -0.457 1.00 0.00 N ATOM 1388 CA ALA A 89 -9.203 5.874 -1.185 1.00 0.00 C ATOM 1389 C ALA A 89 -8.028 5.707 -0.232 1.00 0.00 C ATOM 1390 O ALA A 89 -7.025 5.078 -0.571 1.00 0.00 O ATOM 1391 CB ALA A 89 -8.920 6.990 -2.176 1.00 0.00 C ATOM 0 H ALA A 89 -10.871 7.041 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.332 4.939 -1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.996 6.774 -2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.744 7.063 -2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.817 7.934 -1.641 1.00 0.00 H new ATOM 1397 N ASP A 90 -8.158 6.273 0.961 1.00 0.00 N ATOM 1398 CA ASP A 90 -7.109 6.191 1.966 1.00 0.00 C ATOM 1399 C ASP A 90 -7.069 4.805 2.599 1.00 0.00 C ATOM 1400 O ASP A 90 -6.057 4.112 2.527 1.00 0.00 O ATOM 1401 CB ASP A 90 -7.326 7.253 3.045 1.00 0.00 C ATOM 1402 CG ASP A 90 -6.194 7.294 4.050 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -6.236 6.512 5.022 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -5.265 8.108 3.865 1.00 0.00 O ATOM 0 H ASP A 90 -8.983 6.795 1.256 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.153 6.372 1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.426 8.231 2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.263 7.053 3.565 1.00 0.00 H new ATOM 1409 N ALA A 91 -8.182 4.401 3.209 1.00 0.00 N ATOM 1410 CA ALA A 91 -8.264 3.097 3.861 1.00 0.00 C ATOM 1411 C ALA A 91 -8.198 1.967 2.838 1.00 0.00 C ATOM 1412 O ALA A 91 -8.023 0.802 3.198 1.00 0.00 O ATOM 1413 CB ALA A 91 -9.536 2.993 4.690 1.00 0.00 C ATOM 0 H ALA A 91 -9.036 4.956 3.265 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.407 2.999 4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.580 2.014 5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.537 3.771 5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.404 3.119 4.042 1.00 0.00 H new ATOM 1419 N ALA A 92 -8.340 2.318 1.563 1.00 0.00 N ATOM 1420 CA ALA A 92 -8.285 1.335 0.490 1.00 0.00 C ATOM 1421 C ALA A 92 -6.865 1.222 -0.040 1.00 0.00 C ATOM 1422 O ALA A 92 -6.419 0.144 -0.434 1.00 0.00 O ATOM 1423 CB ALA A 92 -9.247 1.707 -0.628 1.00 0.00 C ATOM 0 H ALA A 92 -8.494 3.276 1.250 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.588 0.366 0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.191 0.960 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.263 1.744 -0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.977 2.683 -1.030 1.00 0.00 H new ATOM 1429 N GLY A 93 -6.158 2.348 -0.046 1.00 0.00 N ATOM 1430 CA GLY A 93 -4.788 2.354 -0.508 1.00 0.00 C ATOM 1431 C GLY A 93 -3.899 1.531 0.395 1.00 0.00 C ATOM 1432 O GLY A 93 -2.801 1.134 0.007 1.00 0.00 O ATOM 0 H GLY A 93 -6.512 3.254 0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.743 1.960 -1.523 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.420 3.379 -0.547 1.00 0.00 H new ATOM 1436 N ILE A 94 -4.381 1.275 1.610 1.00 0.00 N ATOM 1437 CA ILE A 94 -3.632 0.484 2.577 1.00 0.00 C ATOM 1438 C ILE A 94 -3.545 -0.965 2.116 1.00 0.00 C ATOM 1439 O ILE A 94 -2.491 -1.594 2.194 1.00 0.00 O ATOM 1440 CB ILE A 94 -4.286 0.517 3.976 1.00 0.00 C ATOM 1441 CG1 ILE A 94 -4.912 1.888 4.257 1.00 0.00 C ATOM 1442 CG2 ILE A 94 -3.261 0.169 5.044 1.00 0.00 C ATOM 1443 CD1 ILE A 94 -3.937 3.041 4.168 1.00 0.00 C ATOM 0 H ILE A 94 -5.286 1.605 1.945 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.636 0.922 2.646 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.082 -0.227 3.999 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.724 2.057 3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.355 1.876 5.253 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.735 0.196 6.025 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.867 -0.830 4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.446 0.892 5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.458 3.975 4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.137 2.898 4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.512 3.082 3.165 1.00 0.00 H new ATOM 1455 N VAL A 95 -4.669 -1.483 1.632 1.00 0.00 N ATOM 1456 CA VAL A 95 -4.746 -2.855 1.151 1.00 0.00 C ATOM 1457 C VAL A 95 -4.096 -2.988 -0.222 1.00 0.00 C ATOM 1458 O VAL A 95 -3.667 -4.074 -0.613 1.00 0.00 O ATOM 1459 CB VAL A 95 -6.209 -3.330 1.062 1.00 0.00 C ATOM 1460 CG1 VAL A 95 -6.280 -4.803 0.691 1.00 0.00 C ATOM 1461 CG2 VAL A 95 -6.937 -3.067 2.371 1.00 0.00 C ATOM 0 H VAL A 95 -5.546 -0.967 1.563 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.210 -3.478 1.867 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.704 -2.761 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.323 -5.114 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.802 -4.958 -0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.766 -5.394 1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.969 -3.409 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.440 -3.605 3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.925 -1.998 2.586 1.00 0.00 H new ATOM 1471 N ALA A 96 -4.019 -1.877 -0.949 1.00 0.00 N ATOM 1472 CA ALA A 96 -3.426 -1.878 -2.280 1.00 0.00 C ATOM 1473 C ALA A 96 -1.904 -1.990 -2.214 1.00 0.00 C ATOM 1474 O ALA A 96 -1.302 -2.794 -2.926 1.00 0.00 O ATOM 1475 CB ALA A 96 -3.831 -0.619 -3.033 1.00 0.00 C ATOM 0 H ALA A 96 -4.359 -0.967 -0.639 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.800 -2.751 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.383 -0.629 -4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.917 -0.583 -3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.484 0.259 -2.488 1.00 0.00 H new ATOM 1481 N THR A 97 -1.289 -1.180 -1.357 1.00 0.00 N ATOM 1482 CA THR A 97 0.163 -1.187 -1.206 1.00 0.00 C ATOM 1483 C THR A 97 0.640 -2.397 -0.406 1.00 0.00 C ATOM 1484 O THR A 97 1.634 -3.031 -0.763 1.00 0.00 O ATOM 1485 CB THR A 97 0.666 0.099 -0.520 1.00 0.00 C ATOM 1486 OG1 THR A 97 2.089 0.043 -0.356 1.00 0.00 O ATOM 1487 CG2 THR A 97 0.005 0.288 0.837 1.00 0.00 C ATOM 0 H THR A 97 -1.772 -0.511 -0.757 1.00 0.00 H new ATOM 0 HA THR A 97 0.577 -1.241 -2.213 1.00 0.00 H new ATOM 0 HB THR A 97 0.404 0.945 -1.155 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.401 0.864 0.079 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.378 1.202 1.299 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.075 0.360 0.709 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.238 -0.563 1.477 1.00 0.00 H new ATOM 1495 N LEU A 98 -0.067 -2.708 0.677 1.00 0.00 N ATOM 1496 CA LEU A 98 0.291 -3.845 1.525 1.00 0.00 C ATOM 1497 C LEU A 98 0.453 -5.124 0.707 1.00 0.00 C ATOM 1498 O LEU A 98 1.465 -5.816 0.820 1.00 0.00 O ATOM 1499 CB LEU A 98 -0.760 -4.054 2.617 1.00 0.00 C ATOM 1500 CG LEU A 98 -0.553 -3.222 3.885 1.00 0.00 C ATOM 1501 CD1 LEU A 98 -1.762 -3.335 4.801 1.00 0.00 C ATOM 1502 CD2 LEU A 98 0.712 -3.659 4.611 1.00 0.00 C ATOM 0 H LEU A 98 -0.889 -2.191 0.989 1.00 0.00 H new ATOM 0 HA LEU A 98 1.249 -3.616 1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.742 -3.821 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.772 -5.109 2.891 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.438 -2.177 3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.597 -2.737 5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.648 -2.971 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.909 -4.378 5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.842 -3.056 5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.628 -4.710 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.573 -3.524 3.956 1.00 0.00 H new ATOM 1514 N PHE A 99 -0.546 -5.436 -0.114 1.00 0.00 N ATOM 1515 CA PHE A 99 -0.505 -6.637 -0.944 1.00 0.00 C ATOM 1516 C PHE A 99 0.707 -6.627 -1.872 1.00 0.00 C ATOM 1517 O PHE A 99 1.265 -7.678 -2.188 1.00 0.00 O ATOM 1518 CB PHE A 99 -1.790 -6.765 -1.763 1.00 0.00 C ATOM 1519 CG PHE A 99 -2.850 -7.594 -1.092 1.00 0.00 C ATOM 1520 CD1 PHE A 99 -3.686 -7.040 -0.136 1.00 0.00 C ATOM 1521 CD2 PHE A 99 -3.008 -8.933 -1.419 1.00 0.00 C ATOM 1522 CE1 PHE A 99 -4.658 -7.804 0.481 1.00 0.00 C ATOM 1523 CE2 PHE A 99 -3.978 -9.701 -0.806 1.00 0.00 C ATOM 1524 CZ PHE A 99 -4.805 -9.136 0.146 1.00 0.00 C ATOM 0 H PHE A 99 -1.392 -4.876 -0.223 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.419 -7.497 -0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.188 -5.769 -1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.552 -7.208 -2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.577 -5.999 0.130 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.364 -9.380 -2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.303 -7.360 1.225 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.090 -10.742 -1.070 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.565 -9.734 0.627 1.00 0.00 H new ATOM 1534 N ALA A 100 1.108 -5.437 -2.307 1.00 0.00 N ATOM 1535 CA ALA A 100 2.253 -5.293 -3.197 1.00 0.00 C ATOM 1536 C ALA A 100 3.535 -5.777 -2.526 1.00 0.00 C ATOM 1537 O ALA A 100 4.344 -6.473 -3.140 1.00 0.00 O ATOM 1538 CB ALA A 100 2.397 -3.845 -3.636 1.00 0.00 C ATOM 0 H ALA A 100 0.656 -4.558 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 100 2.081 -5.913 -4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.256 -3.750 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.495 -3.533 -4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.544 -3.212 -2.761 1.00 0.00 H new ATOM 1544 N LEU A 101 3.714 -5.402 -1.262 1.00 0.00 N ATOM 1545 CA LEU A 101 4.896 -5.801 -0.503 1.00 0.00 C ATOM 1546 C LEU A 101 5.042 -7.318 -0.477 1.00 0.00 C ATOM 1547 O LEU A 101 6.145 -7.850 -0.610 1.00 0.00 O ATOM 1548 CB LEU A 101 4.810 -5.267 0.928 1.00 0.00 C ATOM 1549 CG LEU A 101 4.959 -3.752 1.072 1.00 0.00 C ATOM 1550 CD1 LEU A 101 4.528 -3.307 2.460 1.00 0.00 C ATOM 1551 CD2 LEU A 101 6.396 -3.331 0.800 1.00 0.00 C ATOM 0 H LEU A 101 3.055 -4.822 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 101 5.771 -5.377 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.850 -5.563 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.584 -5.750 1.525 1.00 0.00 H new ATOM 0 HG LEU A 101 4.314 -3.269 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.640 -2.226 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.485 -3.578 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.150 -3.797 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.485 -2.250 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.060 -3.822 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.674 -3.620 -0.214 1.00 0.00 H new ATOM 1563 N GLY A 102 3.920 -8.010 -0.307 1.00 0.00 N ATOM 1564 CA GLY A 102 3.939 -9.461 -0.264 1.00 0.00 C ATOM 1565 C GLY A 102 4.286 -10.081 -1.604 1.00 0.00 C ATOM 1566 O GLY A 102 4.885 -11.155 -1.662 1.00 0.00 O ATOM 0 H GLY A 102 2.996 -7.591 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.663 -9.789 0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.963 -9.824 0.058 1.00 0.00 H new ATOM 1570 N GLN A 103 3.909 -9.402 -2.684 1.00 0.00 N ATOM 1571 CA GLN A 103 4.182 -9.893 -4.030 1.00 0.00 C ATOM 1572 C GLN A 103 5.667 -9.778 -4.358 1.00 0.00 C ATOM 1573 O GLN A 103 6.288 -10.733 -4.822 1.00 0.00 O ATOM 1574 CB GLN A 103 3.366 -9.107 -5.057 1.00 0.00 C ATOM 1575 CG GLN A 103 3.394 -9.713 -6.452 1.00 0.00 C ATOM 1576 CD GLN A 103 2.418 -10.862 -6.607 1.00 0.00 C ATOM 1577 OE1 GLN A 103 2.756 -12.019 -6.354 1.00 0.00 O ATOM 1578 NE2 GLN A 103 1.199 -10.547 -7.029 1.00 0.00 N ATOM 0 H GLN A 103 3.414 -8.511 -2.653 1.00 0.00 H new ATOM 0 HA GLN A 103 3.895 -10.944 -4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.332 -9.046 -4.717 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.746 -8.086 -5.106 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.160 -8.941 -7.185 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.402 -10.065 -6.671 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.963 -9.575 -7.227 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.499 -11.278 -7.156 1.00 0.00 H new ATOM 1587 N LEU A 104 6.224 -8.597 -4.114 1.00 0.00 N ATOM 1588 CA LEU A 104 7.630 -8.336 -4.384 1.00 0.00 C ATOM 1589 C LEU A 104 8.528 -9.279 -3.589 1.00 0.00 C ATOM 1590 O LEU A 104 9.470 -9.858 -4.131 1.00 0.00 O ATOM 1591 CB LEU A 104 7.955 -6.883 -4.035 1.00 0.00 C ATOM 1592 CG LEU A 104 9.102 -6.256 -4.828 1.00 0.00 C ATOM 1593 CD1 LEU A 104 10.427 -6.916 -4.476 1.00 0.00 C ATOM 1594 CD2 LEU A 104 8.833 -6.348 -6.322 1.00 0.00 C ATOM 0 H LEU A 104 5.717 -7.801 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 104 7.817 -8.509 -5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.059 -6.282 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.198 -6.828 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 104 9.168 -5.202 -4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 104 11.228 -6.454 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 104 10.625 -6.789 -3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.378 -7.979 -4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.661 -5.896 -6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.735 -7.395 -6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.910 -5.819 -6.559 1.00 0.00 H new ATOM 1606 N ALA A 105 8.230 -9.431 -2.302 1.00 0.00 N ATOM 1607 CA ALA A 105 9.016 -10.298 -1.430 1.00 0.00 C ATOM 1608 C ALA A 105 8.906 -11.760 -1.853 1.00 0.00 C ATOM 1609 O ALA A 105 9.646 -12.614 -1.364 1.00 0.00 O ATOM 1610 CB ALA A 105 8.569 -10.133 0.015 1.00 0.00 C ATOM 0 H ALA A 105 7.449 -8.965 -1.840 1.00 0.00 H new ATOM 0 HA ALA A 105 10.062 -10.003 -1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 105 9.162 -10.785 0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.708 -9.097 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.516 -10.399 0.103 1.00 0.00 H new ATOM 1616 N ALA A 106 7.977 -12.041 -2.763 1.00 0.00 N ATOM 1617 CA ALA A 106 7.771 -13.401 -3.247 1.00 0.00 C ATOM 1618 C ALA A 106 8.351 -13.580 -4.646 1.00 0.00 C ATOM 1619 O ALA A 106 8.699 -14.690 -5.048 1.00 0.00 O ATOM 1620 CB ALA A 106 6.289 -13.744 -3.240 1.00 0.00 C ATOM 0 H ALA A 106 7.357 -11.346 -3.179 1.00 0.00 H new ATOM 0 HA ALA A 106 8.294 -14.082 -2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.149 -14.762 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.902 -13.665 -2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.752 -13.051 -3.887 1.00 0.00 H new ATOM 1626 N GLU A 107 8.448 -12.479 -5.384 1.00 0.00 N ATOM 1627 CA GLU A 107 8.984 -12.505 -6.735 1.00 0.00 C ATOM 1628 C GLU A 107 10.485 -12.778 -6.721 1.00 0.00 C ATOM 1629 O GLU A 107 11.063 -13.185 -7.728 1.00 0.00 O ATOM 1630 CB GLU A 107 8.702 -11.175 -7.429 1.00 0.00 C ATOM 1631 CG GLU A 107 7.241 -10.975 -7.795 1.00 0.00 C ATOM 1632 CD GLU A 107 6.717 -12.060 -8.717 1.00 0.00 C ATOM 1633 OE1 GLU A 107 6.826 -11.895 -9.950 1.00 0.00 O ATOM 1634 OE2 GLU A 107 6.199 -13.075 -8.204 1.00 0.00 O ATOM 0 H GLU A 107 8.160 -11.554 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 107 8.496 -13.310 -7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.019 -10.361 -6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.306 -11.112 -8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.642 -10.956 -6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.120 -10.005 -8.276 1.00 0.00 H new ATOM 1750 N LEU A 117 12.427 -6.114 2.650 1.00 0.00 N ATOM 1751 CA LEU A 117 11.298 -5.266 2.306 1.00 0.00 C ATOM 1752 C LEU A 117 10.108 -5.625 3.185 1.00 0.00 C ATOM 1753 O LEU A 117 9.263 -4.783 3.487 1.00 0.00 O ATOM 1754 CB LEU A 117 10.936 -5.447 0.831 1.00 0.00 C ATOM 1755 CG LEU A 117 10.126 -6.706 0.519 1.00 0.00 C ATOM 1756 CD1 LEU A 117 8.638 -6.397 0.544 1.00 0.00 C ATOM 1757 CD2 LEU A 117 10.537 -7.280 -0.828 1.00 0.00 C ATOM 0 HA LEU A 117 11.567 -4.223 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.369 -4.576 0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.855 -5.469 0.246 1.00 0.00 H new ATOM 0 HG LEU A 117 10.332 -7.454 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.074 -7.303 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.359 -6.031 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.412 -5.635 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 117 9.952 -8.176 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 117 10.358 -6.540 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 117 11.596 -7.536 -0.807 1.00 0.00 H new ATOM 1769 N ILE A 118 10.058 -6.896 3.582 1.00 0.00 N ATOM 1770 CA ILE A 118 8.991 -7.400 4.434 1.00 0.00 C ATOM 1771 C ILE A 118 8.807 -6.497 5.647 1.00 0.00 C ATOM 1772 O ILE A 118 7.701 -6.352 6.168 1.00 0.00 O ATOM 1773 CB ILE A 118 9.290 -8.843 4.897 1.00 0.00 C ATOM 1774 CG1 ILE A 118 9.015 -9.834 3.761 1.00 0.00 C ATOM 1775 CG2 ILE A 118 8.472 -9.201 6.131 1.00 0.00 C ATOM 1776 CD1 ILE A 118 7.570 -9.858 3.307 1.00 0.00 C ATOM 0 H ILE A 118 10.752 -7.597 3.323 1.00 0.00 H new ATOM 0 HA ILE A 118 8.070 -7.406 3.851 1.00 0.00 H new ATOM 0 HB ILE A 118 10.345 -8.904 5.165 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.649 -9.583 2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.300 -10.834 4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.701 -10.222 6.436 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.718 -8.516 6.942 1.00 0.00 H new ATOM 0 HG23 ILE A 118 7.410 -9.122 5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.454 -10.583 2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.930 -10.140 4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.285 -8.869 2.949 1.00 0.00 H new ATOM 1788 N ASP A 119 9.904 -5.893 6.087 1.00 0.00 N ATOM 1789 CA ASP A 119 9.879 -4.990 7.226 1.00 0.00 C ATOM 1790 C ASP A 119 8.828 -3.908 7.028 1.00 0.00 C ATOM 1791 O ASP A 119 8.056 -3.602 7.937 1.00 0.00 O ATOM 1792 CB ASP A 119 11.252 -4.350 7.414 1.00 0.00 C ATOM 1793 CG ASP A 119 12.076 -5.046 8.481 1.00 0.00 C ATOM 1794 OD1 ASP A 119 12.640 -6.121 8.187 1.00 0.00 O ATOM 1795 OD2 ASP A 119 12.158 -4.515 9.608 1.00 0.00 O ATOM 0 H ASP A 119 10.826 -6.015 5.668 1.00 0.00 H new ATOM 0 HA ASP A 119 9.624 -5.564 8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.793 -4.374 6.468 1.00 0.00 H new ATOM 0 HB3 ASP A 119 11.127 -3.301 7.683 1.00 0.00 H new ATOM 1800 N ARG A 120 8.804 -3.336 5.828 1.00 0.00 N ATOM 1801 CA ARG A 120 7.847 -2.286 5.500 1.00 0.00 C ATOM 1802 C ARG A 120 6.421 -2.772 5.713 1.00 0.00 C ATOM 1803 O ARG A 120 5.544 -2.003 6.103 1.00 0.00 O ATOM 1804 CB ARG A 120 8.029 -1.826 4.049 1.00 0.00 C ATOM 1805 CG ARG A 120 9.283 -0.995 3.816 1.00 0.00 C ATOM 1806 CD ARG A 120 10.548 -1.828 3.958 1.00 0.00 C ATOM 1807 NE ARG A 120 11.745 -1.068 3.611 1.00 0.00 N ATOM 1808 CZ ARG A 120 12.976 -1.435 3.951 1.00 0.00 C ATOM 1809 NH1 ARG A 120 13.173 -2.553 4.639 1.00 0.00 N ATOM 1810 NH2 ARG A 120 14.014 -0.688 3.601 1.00 0.00 N ATOM 0 H ARG A 120 9.437 -3.582 5.067 1.00 0.00 H new ATOM 0 HA ARG A 120 8.032 -1.442 6.164 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.061 -2.703 3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.158 -1.242 3.752 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.247 -0.555 2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.310 -0.170 4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.632 -2.188 4.983 1.00 0.00 H new ATOM 0 HD3 ARG A 120 10.478 -2.706 3.316 1.00 0.00 H new ATOM 0 HE ARG A 120 11.630 -0.206 3.077 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.378 -3.133 4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 120 14.119 -2.832 4.899 1.00 0.00 H new ATOM 0 HH21 ARG A 120 13.869 0.170 3.070 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.958 -0.972 3.863 1.00 0.00 H new ATOM 1824 N TYR A 121 6.195 -4.054 5.447 1.00 0.00 N ATOM 1825 CA TYR A 121 4.873 -4.646 5.616 1.00 0.00 C ATOM 1826 C TYR A 121 4.516 -4.767 7.094 1.00 0.00 C ATOM 1827 O TYR A 121 3.417 -4.397 7.507 1.00 0.00 O ATOM 1828 CB TYR A 121 4.818 -6.023 4.951 1.00 0.00 C ATOM 1829 CG TYR A 121 3.427 -6.615 4.890 1.00 0.00 C ATOM 1830 CD1 TYR A 121 2.831 -7.161 6.021 1.00 0.00 C ATOM 1831 CD2 TYR A 121 2.710 -6.630 3.701 1.00 0.00 C ATOM 1832 CE1 TYR A 121 1.562 -7.703 5.968 1.00 0.00 C ATOM 1833 CE2 TYR A 121 1.439 -7.171 3.640 1.00 0.00 C ATOM 1834 CZ TYR A 121 0.870 -7.705 4.775 1.00 0.00 C ATOM 1835 OH TYR A 121 -0.394 -8.246 4.719 1.00 0.00 O ATOM 0 H TYR A 121 6.909 -4.702 5.114 1.00 0.00 H new ATOM 0 HA TYR A 121 4.145 -3.991 5.138 1.00 0.00 H new ATOM 0 HB2 TYR A 121 5.214 -5.944 3.939 1.00 0.00 H new ATOM 0 HB3 TYR A 121 5.470 -6.706 5.496 1.00 0.00 H new ATOM 0 HD1 TYR A 121 3.370 -7.161 6.957 1.00 0.00 H new ATOM 0 HD2 TYR A 121 3.153 -6.212 2.809 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.114 -8.123 6.856 1.00 0.00 H new ATOM 0 HE2 TYR A 121 0.895 -7.175 2.707 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.743 -8.167 3.807 1.00 0.00 H new ATOM 1845 N HIS A 122 5.448 -5.288 7.886 1.00 0.00 N ATOM 1846 CA HIS A 122 5.226 -5.461 9.317 1.00 0.00 C ATOM 1847 C HIS A 122 4.952 -4.124 9.997 1.00 0.00 C ATOM 1848 O HIS A 122 4.184 -4.051 10.956 1.00 0.00 O ATOM 1849 CB HIS A 122 6.433 -6.141 9.965 1.00 0.00 C ATOM 1850 CG HIS A 122 6.600 -7.576 9.568 1.00 0.00 C ATOM 1851 ND1 HIS A 122 7.371 -8.470 10.281 1.00 0.00 N ATOM 1852 CD2 HIS A 122 6.087 -8.274 8.525 1.00 0.00 C ATOM 1853 CE1 HIS A 122 7.328 -9.653 9.694 1.00 0.00 C ATOM 1854 NE2 HIS A 122 6.555 -9.560 8.628 1.00 0.00 N ATOM 0 H HIS A 122 6.364 -5.598 7.561 1.00 0.00 H new ATOM 0 HA HIS A 122 4.349 -6.095 9.445 1.00 0.00 H new ATOM 0 HB2 HIS A 122 7.336 -5.592 9.697 1.00 0.00 H new ATOM 0 HB3 HIS A 122 6.334 -6.082 11.049 1.00 0.00 H new ATOM 0 HD2 HIS A 122 5.432 -7.890 7.757 1.00 0.00 H new ATOM 0 HE1 HIS A 122 7.838 -10.544 10.029 1.00 0.00 H new ATOM 0 HE2 HIS A 122 6.340 -10.322 7.984 1.00 0.00 H new ATOM 1863 N PHE A 123 5.583 -3.068 9.495 1.00 0.00 N ATOM 1864 CA PHE A 123 5.402 -1.734 10.058 1.00 0.00 C ATOM 1865 C PHE A 123 4.096 -1.116 9.570 1.00 0.00 C ATOM 1866 O PHE A 123 3.287 -0.643 10.369 1.00 0.00 O ATOM 1867 CB PHE A 123 6.580 -0.831 9.687 1.00 0.00 C ATOM 1868 CG PHE A 123 7.916 -1.356 10.137 1.00 0.00 C ATOM 1869 CD1 PHE A 123 8.045 -2.040 11.337 1.00 0.00 C ATOM 1870 CD2 PHE A 123 9.047 -1.159 9.359 1.00 0.00 C ATOM 1871 CE1 PHE A 123 9.274 -2.518 11.750 1.00 0.00 C ATOM 1872 CE2 PHE A 123 10.278 -1.635 9.767 1.00 0.00 C ATOM 1873 CZ PHE A 123 10.392 -2.317 10.964 1.00 0.00 C ATOM 0 H PHE A 123 6.223 -3.109 8.702 1.00 0.00 H new ATOM 0 HA PHE A 123 5.359 -1.827 11.143 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.598 -0.700 8.605 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.422 0.155 10.125 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.175 -2.201 11.956 1.00 0.00 H new ATOM 0 HD2 PHE A 123 8.964 -0.627 8.423 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.360 -3.048 12.687 1.00 0.00 H new ATOM 0 HE2 PHE A 123 11.151 -1.474 9.151 1.00 0.00 H new ATOM 0 HZ PHE A 123 11.353 -2.692 11.284 1.00 0.00 H new ATOM 1883 N LEU A 124 3.904 -1.117 8.254 1.00 0.00 N ATOM 1884 CA LEU A 124 2.695 -0.564 7.651 1.00 0.00 C ATOM 1885 C LEU A 124 1.457 -1.163 8.304 1.00 0.00 C ATOM 1886 O LEU A 124 0.580 -0.439 8.773 1.00 0.00 O ATOM 1887 CB LEU A 124 2.685 -0.849 6.148 1.00 0.00 C ATOM 1888 CG LEU A 124 1.822 0.090 5.298 1.00 0.00 C ATOM 1889 CD1 LEU A 124 2.044 -0.188 3.819 1.00 0.00 C ATOM 1890 CD2 LEU A 124 0.349 -0.059 5.649 1.00 0.00 C ATOM 0 H LEU A 124 4.572 -1.496 7.583 1.00 0.00 H new ATOM 0 HA LEU A 124 2.685 0.514 7.809 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.710 -0.801 5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.338 -1.871 5.993 1.00 0.00 H new ATOM 0 HG LEU A 124 2.120 1.116 5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.426 0.485 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.094 -0.029 3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.772 -1.220 3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -0.242 0.618 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.033 -1.086 5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.199 0.184 6.701 1.00 0.00 H new ATOM 1902 N ARG A 125 1.389 -2.492 8.309 1.00 0.00 N ATOM 1903 CA ARG A 125 0.271 -3.201 8.919 1.00 0.00 C ATOM 1904 C ARG A 125 -0.069 -2.598 10.280 1.00 0.00 C ATOM 1905 O ARG A 125 -1.239 -2.458 10.632 1.00 0.00 O ATOM 1906 CB ARG A 125 0.602 -4.686 9.074 1.00 0.00 C ATOM 1907 CG ARG A 125 -0.407 -5.447 9.920 1.00 0.00 C ATOM 1908 CD ARG A 125 -0.099 -6.934 9.961 1.00 0.00 C ATOM 1909 NE ARG A 125 -0.466 -7.605 8.716 1.00 0.00 N ATOM 1910 CZ ARG A 125 -0.287 -8.904 8.500 1.00 0.00 C ATOM 1911 NH1 ARG A 125 0.271 -9.665 9.433 1.00 0.00 N ATOM 1912 NH2 ARG A 125 -0.664 -9.444 7.349 1.00 0.00 N ATOM 0 H ARG A 125 2.097 -3.099 7.896 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.595 -3.099 8.265 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.655 -5.144 8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 125 1.590 -4.785 9.524 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.406 -5.047 10.934 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.408 -5.294 9.518 1.00 0.00 H new ATOM 0 HD2 ARG A 125 0.965 -7.079 10.150 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -0.636 -7.392 10.791 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.883 -7.046 7.972 1.00 0.00 H new ATOM 0 HH11 ARG A 125 0.564 -9.253 10.319 1.00 0.00 H new ATOM 0 HH12 ARG A 125 0.407 -10.662 9.264 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -1.092 -8.862 6.629 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -0.526 -10.441 7.184 1.00 0.00 H new ATOM 1926 N GLY A 126 0.967 -2.246 11.038 1.00 0.00 N ATOM 1927 CA GLY A 126 0.761 -1.658 12.348 1.00 0.00 C ATOM 1928 C GLY A 126 0.013 -0.340 12.287 1.00 0.00 C ATOM 1929 O GLY A 126 -0.803 -0.046 13.160 1.00 0.00 O ATOM 0 H GLY A 126 1.944 -2.358 10.767 1.00 0.00 H new ATOM 0 HA2 GLY A 126 0.206 -2.358 12.972 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.727 -1.501 12.827 1.00 0.00 H new ATOM 1933 N PHE A 127 0.289 0.456 11.257 1.00 0.00 N ATOM 1934 CA PHE A 127 -0.367 1.749 11.093 1.00 0.00 C ATOM 1935 C PHE A 127 -1.835 1.572 10.714 1.00 0.00 C ATOM 1936 O PHE A 127 -2.686 2.377 11.093 1.00 0.00 O ATOM 1937 CB PHE A 127 0.352 2.574 10.024 1.00 0.00 C ATOM 1938 CG PHE A 127 -0.311 3.891 9.730 1.00 0.00 C ATOM 1939 CD1 PHE A 127 -0.235 4.938 10.635 1.00 0.00 C ATOM 1940 CD2 PHE A 127 -1.009 4.081 8.549 1.00 0.00 C ATOM 1941 CE1 PHE A 127 -0.844 6.149 10.367 1.00 0.00 C ATOM 1942 CE2 PHE A 127 -1.620 5.290 8.276 1.00 0.00 C ATOM 1943 CZ PHE A 127 -1.538 6.325 9.186 1.00 0.00 C ATOM 0 H PHE A 127 0.962 0.228 10.525 1.00 0.00 H new ATOM 0 HA PHE A 127 -0.319 2.277 12.045 1.00 0.00 H new ATOM 0 HB2 PHE A 127 1.377 2.757 10.347 1.00 0.00 H new ATOM 0 HB3 PHE A 127 0.407 1.992 9.104 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.306 4.806 11.560 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.077 3.275 7.833 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.777 6.957 11.080 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -2.161 5.425 7.351 1.00 0.00 H new ATOM 0 HZ PHE A 127 -2.016 7.270 8.975 1.00 0.00 H new ATOM 1953 N ALA A 128 -2.121 0.513 9.965 1.00 0.00 N ATOM 1954 CA ALA A 128 -3.482 0.227 9.531 1.00 0.00 C ATOM 1955 C ALA A 128 -4.401 -0.007 10.724 1.00 0.00 C ATOM 1956 O ALA A 128 -5.612 0.194 10.635 1.00 0.00 O ATOM 1957 CB ALA A 128 -3.496 -0.980 8.604 1.00 0.00 C ATOM 0 H ALA A 128 -1.427 -0.162 9.646 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.854 1.094 8.986 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.519 -1.183 8.287 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -2.879 -0.774 7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.100 -1.848 9.131 1.00 0.00 H new ATOM 1963 N ALA A 129 -3.817 -0.432 11.840 1.00 0.00 N ATOM 1964 CA ALA A 129 -4.581 -0.695 13.052 1.00 0.00 C ATOM 1965 C ALA A 129 -5.033 0.605 13.711 1.00 0.00 C ATOM 1966 O ALA A 129 -6.044 0.637 14.414 1.00 0.00 O ATOM 1967 CB ALA A 129 -3.754 -1.523 14.025 1.00 0.00 C ATOM 0 H ALA A 129 -2.815 -0.602 11.929 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.472 -1.259 12.776 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.336 -1.713 14.927 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.486 -2.471 13.559 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -2.847 -0.978 14.287 1.00 0.00 H new ATOM 1973 N GLY A 130 -4.278 1.675 13.481 1.00 0.00 N ATOM 1974 CA GLY A 130 -4.618 2.962 14.060 1.00 0.00 C ATOM 1975 C GLY A 130 -5.633 3.720 13.227 1.00 0.00 C ATOM 1976 O GLY A 130 -6.136 4.764 13.643 1.00 0.00 O ATOM 0 H GLY A 130 -3.437 1.674 12.904 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.015 2.812 15.064 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.714 3.562 14.161 1.00 0.00 H new ATOM 1980 N HIS A 131 -5.936 3.190 12.046 1.00 0.00 N ATOM 1981 CA HIS A 131 -6.898 3.818 11.147 1.00 0.00 C ATOM 1982 C HIS A 131 -8.317 3.711 11.701 1.00 0.00 C ATOM 1983 O HIS A 131 -8.632 2.780 12.443 1.00 0.00 O ATOM 1984 CB HIS A 131 -6.831 3.169 9.763 1.00 0.00 C ATOM 1985 CG HIS A 131 -5.925 3.881 8.808 1.00 0.00 C ATOM 1986 ND1 HIS A 131 -6.046 5.224 8.516 1.00 0.00 N ATOM 1987 CD2 HIS A 131 -4.879 3.432 8.075 1.00 0.00 C ATOM 1988 CE1 HIS A 131 -5.116 5.568 7.645 1.00 0.00 C ATOM 1989 NE2 HIS A 131 -4.395 4.500 7.362 1.00 0.00 N ATOM 0 H HIS A 131 -5.528 2.326 11.689 1.00 0.00 H new ATOM 0 HA HIS A 131 -6.640 4.874 11.062 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -6.493 2.138 9.871 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -7.835 3.133 9.339 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -4.497 2.422 8.055 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -4.970 6.556 7.234 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -3.605 4.473 6.717 1.00 0.00 H new ATOM 1998 N PRO A 132 -9.195 4.669 11.348 1.00 0.00 N ATOM 1999 CA PRO A 132 -10.587 4.671 11.809 1.00 0.00 C ATOM 2000 C PRO A 132 -11.377 3.503 11.230 1.00 0.00 C ATOM 2001 O PRO A 132 -12.542 3.295 11.568 1.00 0.00 O ATOM 2002 CB PRO A 132 -11.140 6.002 11.291 1.00 0.00 C ATOM 2003 CG PRO A 132 -10.263 6.360 10.142 1.00 0.00 C ATOM 2004 CD PRO A 132 -8.900 5.819 10.473 1.00 0.00 C ATOM 0 HA PRO A 132 -10.660 4.565 12.891 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -12.180 5.903 10.979 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -11.111 6.770 12.064 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -10.639 5.927 9.215 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -10.229 7.440 9.999 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -8.360 5.514 9.577 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -8.284 6.562 10.979 1.00 0.00 H new ATOM 2012 N GLU A 133 -10.726 2.745 10.354 1.00 0.00 N ATOM 2013 CA GLU A 133 -11.346 1.588 9.722 1.00 0.00 C ATOM 2014 C GLU A 133 -10.398 0.398 9.753 1.00 0.00 C ATOM 2015 O GLU A 133 -10.458 -0.478 8.891 1.00 0.00 O ATOM 2016 CB GLU A 133 -11.734 1.909 8.279 1.00 0.00 C ATOM 2017 CG GLU A 133 -12.946 2.816 8.170 1.00 0.00 C ATOM 2018 CD GLU A 133 -14.226 2.138 8.618 1.00 0.00 C ATOM 2019 OE1 GLU A 133 -14.856 1.450 7.788 1.00 0.00 O ATOM 2020 OE2 GLU A 133 -14.599 2.297 9.799 1.00 0.00 O ATOM 0 H GLU A 133 -9.763 2.914 10.065 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.249 1.336 10.279 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -10.889 2.382 7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -11.937 0.978 7.749 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -12.782 3.709 8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -13.056 3.145 7.137 1.00 0.00 H new ATOM 2027 N ALA A 134 -9.518 0.386 10.750 1.00 0.00 N ATOM 2028 CA ALA A 134 -8.551 -0.691 10.917 1.00 0.00 C ATOM 2029 C ALA A 134 -9.193 -2.045 10.654 1.00 0.00 C ATOM 2030 O ALA A 134 -8.604 -2.905 10.001 1.00 0.00 O ATOM 2031 CB ALA A 134 -7.958 -0.652 12.317 1.00 0.00 C ATOM 0 H ALA A 134 -9.456 1.117 11.459 1.00 0.00 H new ATOM 0 HA ALA A 134 -7.752 -0.547 10.190 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -7.237 -1.462 12.429 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -7.458 0.304 12.474 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -8.754 -0.770 13.053 1.00 0.00 H new ATOM 2037 N ALA A 135 -10.401 -2.227 11.172 1.00 0.00 N ATOM 2038 CA ALA A 135 -11.133 -3.472 10.990 1.00 0.00 C ATOM 2039 C ALA A 135 -11.393 -3.752 9.512 1.00 0.00 C ATOM 2040 O ALA A 135 -11.193 -4.872 9.043 1.00 0.00 O ATOM 2041 CB ALA A 135 -12.443 -3.432 11.760 1.00 0.00 C ATOM 0 H ALA A 135 -10.895 -1.525 11.723 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.518 -4.283 11.381 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -12.979 -4.370 11.614 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.237 -3.293 12.821 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -13.053 -2.605 11.397 1.00 0.00 H new ATOM 2047 N ALA A 136 -11.832 -2.730 8.780 1.00 0.00 N ATOM 2048 CA ALA A 136 -12.118 -2.882 7.357 1.00 0.00 C ATOM 2049 C ALA A 136 -10.848 -3.193 6.576 1.00 0.00 C ATOM 2050 O ALA A 136 -10.871 -3.961 5.614 1.00 0.00 O ATOM 2051 CB ALA A 136 -12.777 -1.625 6.812 1.00 0.00 C ATOM 0 H ALA A 136 -11.996 -1.793 9.147 1.00 0.00 H new ATOM 0 HA ALA A 136 -12.805 -3.720 7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -12.984 -1.754 5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -13.711 -1.444 7.344 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -12.109 -0.775 6.951 1.00 0.00 H new ATOM 2057 N ILE A 137 -9.743 -2.590 6.997 1.00 0.00 N ATOM 2058 CA ILE A 137 -8.458 -2.798 6.345 1.00 0.00 C ATOM 2059 C ILE A 137 -7.856 -4.131 6.761 1.00 0.00 C ATOM 2060 O ILE A 137 -7.092 -4.745 6.015 1.00 0.00 O ATOM 2061 CB ILE A 137 -7.471 -1.675 6.710 1.00 0.00 C ATOM 2062 CG1 ILE A 137 -8.033 -0.316 6.296 1.00 0.00 C ATOM 2063 CG2 ILE A 137 -6.119 -1.921 6.058 1.00 0.00 C ATOM 2064 CD1 ILE A 137 -7.371 0.843 7.003 1.00 0.00 C ATOM 0 H ILE A 137 -9.712 -1.950 7.791 1.00 0.00 H new ATOM 0 HA ILE A 137 -8.632 -2.793 5.269 1.00 0.00 H new ATOM 0 HB ILE A 137 -7.332 -1.673 7.791 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -7.913 -0.193 5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -9.103 -0.295 6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -5.434 -1.117 6.327 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.716 -2.873 6.404 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -6.237 -1.950 4.975 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -7.816 1.778 6.664 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -7.514 0.742 8.079 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -6.305 0.846 6.777 1.00 0.00 H new ATOM 2076 N TYR A 138 -8.215 -4.570 7.958 1.00 0.00 N ATOM 2077 CA TYR A 138 -7.715 -5.819 8.518 1.00 0.00 C ATOM 2078 C TYR A 138 -8.275 -7.033 7.790 1.00 0.00 C ATOM 2079 O TYR A 138 -7.535 -7.948 7.428 1.00 0.00 O ATOM 2080 CB TYR A 138 -8.105 -5.894 9.993 1.00 0.00 C ATOM 2081 CG TYR A 138 -7.040 -6.479 10.876 1.00 0.00 C ATOM 2082 CD1 TYR A 138 -6.924 -7.851 11.040 1.00 0.00 C ATOM 2083 CD2 TYR A 138 -6.152 -5.655 11.548 1.00 0.00 C ATOM 2084 CE1 TYR A 138 -5.946 -8.390 11.854 1.00 0.00 C ATOM 2085 CE2 TYR A 138 -5.169 -6.183 12.364 1.00 0.00 C ATOM 2086 CZ TYR A 138 -5.070 -7.551 12.512 1.00 0.00 C ATOM 2087 OH TYR A 138 -4.094 -8.083 13.324 1.00 0.00 O ATOM 0 H TYR A 138 -8.861 -4.071 8.570 1.00 0.00 H new ATOM 0 HA TYR A 138 -6.631 -5.831 8.402 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.346 -4.891 10.346 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -9.011 -6.492 10.089 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.608 -8.508 10.524 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.229 -4.584 11.433 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -5.868 -9.460 11.974 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -4.483 -5.529 12.882 1.00 0.00 H new ATOM 0 HH TYR A 138 -3.560 -7.358 13.712 1.00 0.00 H new ATOM 2097 N ARG A 139 -9.583 -7.034 7.579 1.00 0.00 N ATOM 2098 CA ARG A 139 -10.242 -8.146 6.912 1.00 0.00 C ATOM 2099 C ARG A 139 -10.001 -8.092 5.412 1.00 0.00 C ATOM 2100 O ARG A 139 -10.018 -9.118 4.737 1.00 0.00 O ATOM 2101 CB ARG A 139 -11.739 -8.139 7.217 1.00 0.00 C ATOM 2102 CG ARG A 139 -12.406 -6.798 6.968 1.00 0.00 C ATOM 2103 CD ARG A 139 -13.488 -6.522 7.998 1.00 0.00 C ATOM 2104 NE ARG A 139 -14.599 -7.465 7.894 1.00 0.00 N ATOM 2105 CZ ARG A 139 -15.806 -7.241 8.405 1.00 0.00 C ATOM 2106 NH1 ARG A 139 -16.058 -6.109 9.050 1.00 0.00 N ATOM 2107 NH2 ARG A 139 -16.764 -8.148 8.269 1.00 0.00 N ATOM 0 H ARG A 139 -10.208 -6.278 7.860 1.00 0.00 H new ATOM 0 HA ARG A 139 -9.817 -9.075 7.291 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -12.229 -8.897 6.606 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.890 -8.422 8.259 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.658 -6.005 7.001 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -12.840 -6.785 5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -13.058 -6.577 8.998 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -13.862 -5.506 7.867 1.00 0.00 H new ATOM 0 HE ARG A 139 -14.440 -8.344 7.402 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -15.325 -5.408 9.155 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -16.985 -5.940 9.441 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -16.575 -9.019 7.772 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -17.689 -7.975 8.661 1.00 0.00 H new ATOM 2121 N ALA A 140 -9.769 -6.889 4.895 1.00 0.00 N ATOM 2122 CA ALA A 140 -9.506 -6.712 3.475 1.00 0.00 C ATOM 2123 C ALA A 140 -8.175 -7.354 3.096 1.00 0.00 C ATOM 2124 O ALA A 140 -8.033 -7.921 2.012 1.00 0.00 O ATOM 2125 CB ALA A 140 -9.510 -5.236 3.112 1.00 0.00 C ATOM 0 H ALA A 140 -9.758 -6.026 5.438 1.00 0.00 H new ATOM 0 HA ALA A 140 -10.299 -7.205 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.312 -5.123 2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.484 -4.806 3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.738 -4.719 3.682 1.00 0.00 H new ATOM 2131 N ILE A 141 -7.202 -7.258 3.998 1.00 0.00 N ATOM 2132 CA ILE A 141 -5.884 -7.834 3.764 1.00 0.00 C ATOM 2133 C ILE A 141 -5.790 -9.238 4.352 1.00 0.00 C ATOM 2134 O ILE A 141 -4.879 -10.000 4.028 1.00 0.00 O ATOM 2135 CB ILE A 141 -4.770 -6.961 4.374 1.00 0.00 C ATOM 2136 CG1 ILE A 141 -4.902 -6.915 5.899 1.00 0.00 C ATOM 2137 CG2 ILE A 141 -4.820 -5.558 3.787 1.00 0.00 C ATOM 2138 CD1 ILE A 141 -3.785 -6.158 6.585 1.00 0.00 C ATOM 0 H ILE A 141 -7.303 -6.787 4.897 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.746 -7.881 2.684 1.00 0.00 H new ATOM 0 HB ILE A 141 -3.805 -7.403 4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -5.855 -6.453 6.158 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -4.927 -7.935 6.283 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -4.028 -4.951 4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -4.681 -5.610 2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -5.787 -5.106 4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -3.947 -6.168 7.663 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -2.830 -6.632 6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -3.772 -5.128 6.230 1.00 0.00 H new ATOM 2150 N ASP A 142 -6.740 -9.571 5.221 1.00 0.00 N ATOM 2151 CA ASP A 142 -6.767 -10.883 5.860 1.00 0.00 C ATOM 2152 C ASP A 142 -6.947 -11.990 4.826 1.00 0.00 C ATOM 2153 O ASP A 142 -5.924 -12.532 4.357 1.00 0.00 O ATOM 2154 CB ASP A 142 -7.891 -10.948 6.895 1.00 0.00 C ATOM 2155 CG ASP A 142 -7.942 -12.283 7.610 1.00 0.00 C ATOM 2156 OD1 ASP A 142 -7.203 -12.454 8.602 1.00 0.00 O ATOM 2157 OD2 ASP A 142 -8.719 -13.160 7.178 1.00 0.00 O ATOM 2158 OXT ASP A 142 -8.109 -12.308 4.494 1.00 0.00 O ATOM 0 H ASP A 142 -7.501 -8.951 5.499 1.00 0.00 H new ATOM 0 HA ASP A 142 -5.811 -11.033 6.363 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -7.754 -10.152 7.627 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -8.846 -10.766 6.402 1.00 0.00 H new