USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 766 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 10 THR OG1 : rot 93:sc= 0.537 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.358) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 155:sc= 1.02 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 0.574 (180deg=0.572) USER MOD Single : A 28 SER OG : rot 180:sc= 0.145 USER MOD Single : A 29 ASN : amide:sc= -0.0647 K(o=-0.065,f=-1.1) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0848 USER MOD Single : A 47 GLN : amide:sc= 1.51 K(o=1.5,f=-0.33) USER MOD Single : A 49 LYS NZ :NH3+ 154:sc= 0.467 (180deg=0.18) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 143:sc= -1.54 (180deg=-5.16!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.798 F(o=-2.6!,f=-0.8) USER MOD Single : A 76 CYS SG : rot 87:sc= 0.229 USER MOD Single : A 80 HIS : no HE2:sc= 0.216 K(o=0.22,f=-2.1!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0433 USER MOD Single : A 82 HIS : no HE2:sc= -0.134 X(o=-0.13,f=-0.047) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 91 SER OG : rot -29:sc= 0.0436 USER MOD Single : A 96 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.5!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0706 K(o=-0.071,f=-1.8!) USER MOD Single : A 103 CYS SG : rot 113:sc= 1.24 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 9 10.582 -13.393 -4.520 1.00 0.00 N ATOM 86 CA PHE A 9 9.207 -12.947 -4.267 1.00 0.00 C ATOM 87 C PHE A 9 8.399 -14.036 -3.552 1.00 0.00 C ATOM 88 O PHE A 9 8.611 -15.230 -3.786 1.00 0.00 O ATOM 89 CB PHE A 9 8.525 -12.537 -5.593 1.00 0.00 C ATOM 90 CG PHE A 9 7.012 -12.321 -5.558 1.00 0.00 C ATOM 91 CD1 PHE A 9 6.153 -13.437 -5.505 1.00 0.00 C ATOM 92 CD2 PHE A 9 6.433 -11.031 -5.628 1.00 0.00 C ATOM 93 CE1 PHE A 9 4.775 -13.256 -5.499 1.00 0.00 C ATOM 94 CE2 PHE A 9 5.033 -10.858 -5.516 1.00 0.00 C ATOM 95 CZ PHE A 9 4.217 -11.994 -5.419 1.00 0.00 C ATOM 0 HA PHE A 9 9.243 -12.076 -3.612 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.991 -11.616 -5.943 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.740 -13.305 -6.336 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.566 -14.434 -5.469 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.068 -10.168 -5.769 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.128 -14.118 -5.558 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.601 -9.868 -5.505 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.152 -11.883 -5.282 1.00 0.00 H new ATOM 105 N THR A 10 7.428 -13.593 -2.748 1.00 0.00 N ATOM 106 CA THR A 10 6.493 -14.369 -1.946 1.00 0.00 C ATOM 107 C THR A 10 5.533 -15.234 -2.792 1.00 0.00 C ATOM 108 O THR A 10 5.981 -16.179 -3.431 1.00 0.00 O ATOM 109 CB THR A 10 5.798 -13.389 -0.966 1.00 0.00 C ATOM 110 OG1 THR A 10 6.684 -12.371 -0.517 1.00 0.00 O ATOM 111 CG2 THR A 10 5.317 -14.119 0.290 1.00 0.00 C ATOM 0 H THR A 10 7.267 -12.592 -2.636 1.00 0.00 H new ATOM 0 HA THR A 10 7.025 -15.122 -1.365 1.00 0.00 H new ATOM 0 HB THR A 10 4.965 -12.956 -1.521 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.601 -11.586 -1.097 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.833 -13.409 0.961 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.606 -14.896 0.009 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.169 -14.573 0.796 1.00 0.00 H new ATOM 119 N ARG A 11 4.225 -14.928 -2.781 1.00 0.00 N ATOM 120 CA ARG A 11 3.049 -15.487 -3.486 1.00 0.00 C ATOM 121 C ARG A 11 1.829 -15.552 -2.579 1.00 0.00 C ATOM 122 O ARG A 11 0.703 -15.546 -3.065 1.00 0.00 O ATOM 123 CB ARG A 11 3.257 -16.872 -4.125 1.00 0.00 C ATOM 124 CG ARG A 11 3.775 -16.773 -5.560 1.00 0.00 C ATOM 125 CD ARG A 11 4.261 -18.151 -6.021 1.00 0.00 C ATOM 126 NE ARG A 11 5.035 -18.047 -7.260 1.00 0.00 N ATOM 127 CZ ARG A 11 4.568 -18.059 -8.510 1.00 0.00 C ATOM 128 NH1 ARG A 11 3.280 -18.269 -8.764 1.00 0.00 N ATOM 129 NH2 ARG A 11 5.426 -17.836 -9.493 1.00 0.00 N ATOM 0 H ARG A 11 3.918 -14.161 -2.183 1.00 0.00 H new ATOM 0 HA ARG A 11 2.890 -14.784 -4.304 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.963 -17.445 -3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.314 -17.419 -4.118 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.985 -16.414 -6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.589 -16.051 -5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.874 -18.604 -5.242 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.406 -18.809 -6.176 1.00 0.00 H new ATOM 0 HE ARG A 11 6.045 -17.955 -7.156 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.628 -18.425 -7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.944 -18.274 -9.727 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.409 -17.662 -9.283 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.104 -17.838 -10.461 1.00 0.00 H new ATOM 143 N ASP A 12 2.035 -15.597 -1.268 1.00 0.00 N ATOM 144 CA ASP A 12 0.985 -15.606 -0.251 1.00 0.00 C ATOM 145 C ASP A 12 1.286 -14.479 0.735 1.00 0.00 C ATOM 146 O ASP A 12 2.285 -13.772 0.574 1.00 0.00 O ATOM 147 CB ASP A 12 0.933 -16.980 0.429 1.00 0.00 C ATOM 148 CG ASP A 12 -0.359 -17.180 1.207 1.00 0.00 C ATOM 149 OD1 ASP A 12 -1.354 -17.621 0.595 1.00 0.00 O ATOM 150 OD2 ASP A 12 -0.382 -16.849 2.410 1.00 0.00 O ATOM 0 H ASP A 12 2.972 -15.629 -0.867 1.00 0.00 H new ATOM 0 HA ASP A 12 0.002 -15.437 -0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.028 -17.762 -0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.783 -17.083 1.104 1.00 0.00 H new ATOM 155 N ALA A 13 0.446 -14.286 1.743 1.00 0.00 N ATOM 156 CA ALA A 13 0.561 -13.275 2.761 1.00 0.00 C ATOM 157 C ALA A 13 0.965 -13.909 4.105 1.00 0.00 C ATOM 158 O ALA A 13 1.748 -13.314 4.838 1.00 0.00 O ATOM 159 CB ALA A 13 -0.785 -12.565 2.847 1.00 0.00 C ATOM 0 H ALA A 13 -0.380 -14.871 1.871 1.00 0.00 H new ATOM 0 HA ALA A 13 1.340 -12.554 2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.739 -11.788 3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.020 -12.113 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.560 -13.285 3.109 1.00 0.00 H new ATOM 165 N SER A 14 0.515 -15.129 4.424 1.00 0.00 N ATOM 166 CA SER A 14 0.852 -15.801 5.679 1.00 0.00 C ATOM 167 C SER A 14 2.356 -16.066 5.788 1.00 0.00 C ATOM 168 O SER A 14 2.881 -16.077 6.904 1.00 0.00 O ATOM 169 CB SER A 14 0.073 -17.119 5.810 1.00 0.00 C ATOM 170 OG SER A 14 -0.759 -17.133 6.957 1.00 0.00 O ATOM 0 H SER A 14 -0.094 -15.676 3.816 1.00 0.00 H new ATOM 0 HA SER A 14 0.567 -15.136 6.495 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.536 -17.270 4.919 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.775 -17.951 5.861 1.00 0.00 H new ATOM 0 HG SER A 14 -1.238 -17.987 7.003 1.00 0.00 H new ATOM 176 N GLN A 15 3.068 -16.241 4.666 1.00 0.00 N ATOM 177 CA GLN A 15 4.520 -16.413 4.711 1.00 0.00 C ATOM 178 C GLN A 15 5.236 -15.174 5.289 1.00 0.00 C ATOM 179 O GLN A 15 6.345 -15.310 5.816 1.00 0.00 O ATOM 180 CB GLN A 15 5.079 -16.757 3.317 1.00 0.00 C ATOM 181 CG GLN A 15 4.689 -18.154 2.799 1.00 0.00 C ATOM 182 CD GLN A 15 5.687 -18.639 1.744 1.00 0.00 C ATOM 183 OE1 GLN A 15 6.708 -19.244 2.070 1.00 0.00 O ATOM 184 NE2 GLN A 15 5.449 -18.408 0.464 1.00 0.00 N ATOM 0 H GLN A 15 2.665 -16.267 3.729 1.00 0.00 H new ATOM 0 HA GLN A 15 4.719 -17.248 5.383 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.730 -16.009 2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.166 -16.685 3.348 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.659 -18.860 3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.687 -18.122 2.371 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.605 -17.907 0.184 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.109 -18.730 -0.244 1.00 0.00 H new ATOM 193 N LEU A 16 4.632 -13.979 5.217 1.00 0.00 N ATOM 194 CA LEU A 16 5.291 -12.730 5.596 1.00 0.00 C ATOM 195 C LEU A 16 5.586 -12.696 7.088 1.00 0.00 C ATOM 196 O LEU A 16 4.760 -13.113 7.903 1.00 0.00 O ATOM 197 CB LEU A 16 4.443 -11.492 5.245 1.00 0.00 C ATOM 198 CG LEU A 16 4.085 -11.327 3.757 1.00 0.00 C ATOM 199 CD1 LEU A 16 3.321 -10.024 3.539 1.00 0.00 C ATOM 200 CD2 LEU A 16 5.344 -11.369 2.880 1.00 0.00 C ATOM 0 H LEU A 16 3.672 -13.856 4.894 1.00 0.00 H new ATOM 0 HA LEU A 16 6.220 -12.697 5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.518 -11.534 5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.981 -10.602 5.571 1.00 0.00 H new ATOM 0 HG LEU A 16 3.446 -12.160 3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.074 -9.919 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.403 -10.038 4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.940 -9.183 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.063 -11.250 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.016 -10.561 3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.849 -12.326 3.014 1.00 0.00 H new ATOM 212 N LYS A 17 6.730 -12.125 7.455 1.00 0.00 N ATOM 213 CA LYS A 17 7.003 -11.689 8.808 1.00 0.00 C ATOM 214 C LYS A 17 6.331 -10.329 8.908 1.00 0.00 C ATOM 215 O LYS A 17 6.571 -9.460 8.066 1.00 0.00 O ATOM 216 CB LYS A 17 8.524 -11.686 9.025 1.00 0.00 C ATOM 217 CG LYS A 17 9.122 -10.554 9.859 1.00 0.00 C ATOM 218 CD LYS A 17 8.797 -10.549 11.358 1.00 0.00 C ATOM 219 CE LYS A 17 9.509 -11.669 12.128 1.00 0.00 C ATOM 220 NZ LYS A 17 8.691 -12.891 12.260 1.00 0.00 N ATOM 0 H LYS A 17 7.499 -11.953 6.807 1.00 0.00 H new ATOM 0 HA LYS A 17 6.614 -12.334 9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.797 -12.630 9.497 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.002 -11.669 8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.206 -10.586 9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.786 -9.607 9.436 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.081 -9.586 11.783 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.720 -10.651 11.491 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.441 -11.916 11.619 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.774 -11.307 13.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.879 -13.337 13.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.683 -12.643 12.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.934 -13.555 11.497 1.00 0.00 H new ATOM 234 N GLY A 18 5.503 -10.160 9.927 1.00 0.00 N ATOM 235 CA GLY A 18 4.791 -8.914 10.160 1.00 0.00 C ATOM 236 C GLY A 18 3.574 -9.091 11.059 1.00 0.00 C ATOM 237 O GLY A 18 3.337 -10.174 11.597 1.00 0.00 O ATOM 0 H GLY A 18 5.306 -10.885 10.617 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.470 -8.192 10.613 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.474 -8.497 9.204 1.00 0.00 H new ATOM 241 N THR A 19 2.794 -8.022 11.205 1.00 0.00 N ATOM 242 CA THR A 19 1.459 -8.025 11.791 1.00 0.00 C ATOM 243 C THR A 19 0.496 -7.659 10.669 1.00 0.00 C ATOM 244 O THR A 19 0.806 -6.780 9.872 1.00 0.00 O ATOM 245 CB THR A 19 1.382 -6.979 12.913 1.00 0.00 C ATOM 246 OG1 THR A 19 2.315 -7.273 13.932 1.00 0.00 O ATOM 247 CG2 THR A 19 -0.004 -6.880 13.559 1.00 0.00 C ATOM 0 H THR A 19 3.089 -7.093 10.905 1.00 0.00 H new ATOM 0 HA THR A 19 1.214 -8.996 12.220 1.00 0.00 H new ATOM 0 HB THR A 19 1.606 -6.025 12.436 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.253 -6.596 14.637 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.013 -6.123 14.343 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.739 -6.603 12.803 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.274 -7.844 13.991 1.00 0.00 H new ATOM 255 N PHE A 20 -0.674 -8.288 10.623 1.00 0.00 N ATOM 256 CA PHE A 20 -1.692 -8.027 9.617 1.00 0.00 C ATOM 257 C PHE A 20 -2.806 -7.180 10.198 1.00 0.00 C ATOM 258 O PHE A 20 -3.390 -7.527 11.233 1.00 0.00 O ATOM 259 CB PHE A 20 -2.224 -9.357 9.086 1.00 0.00 C ATOM 260 CG PHE A 20 -1.397 -9.892 7.944 1.00 0.00 C ATOM 261 CD1 PHE A 20 -0.133 -10.472 8.164 1.00 0.00 C ATOM 262 CD2 PHE A 20 -1.897 -9.777 6.639 1.00 0.00 C ATOM 263 CE1 PHE A 20 0.651 -10.882 7.071 1.00 0.00 C ATOM 264 CE2 PHE A 20 -1.122 -10.202 5.557 1.00 0.00 C ATOM 265 CZ PHE A 20 0.171 -10.713 5.760 1.00 0.00 C ATOM 0 H PHE A 20 -0.944 -9.005 11.296 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.255 -7.468 8.789 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.239 -10.088 9.894 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.254 -9.227 8.755 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.234 -10.602 9.171 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.879 -9.361 6.471 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.621 -11.326 7.238 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.520 -10.137 4.555 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.792 -10.974 4.916 1.00 0.00 H new ATOM 275 N LEU A 21 -3.109 -6.083 9.510 1.00 0.00 N ATOM 276 CA LEU A 21 -4.165 -5.143 9.825 1.00 0.00 C ATOM 277 C LEU A 21 -5.180 -5.181 8.694 1.00 0.00 C ATOM 278 O LEU A 21 -4.851 -5.569 7.571 1.00 0.00 O ATOM 279 CB LEU A 21 -3.644 -3.698 9.886 1.00 0.00 C ATOM 280 CG LEU A 21 -2.290 -3.367 10.517 1.00 0.00 C ATOM 281 CD1 LEU A 21 -2.142 -3.948 11.922 1.00 0.00 C ATOM 282 CD2 LEU A 21 -1.116 -3.750 9.616 1.00 0.00 C ATOM 0 H LEU A 21 -2.592 -5.817 8.672 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.585 -5.422 10.792 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.616 -3.327 8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.394 -3.112 10.417 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.264 -2.282 10.622 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.164 -3.684 12.324 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.921 -3.542 12.567 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.235 -5.033 11.879 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.179 -3.494 10.111 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.142 -4.822 9.420 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.189 -3.207 8.673 1.00 0.00 H new ATOM 294 N SER A 22 -6.385 -4.684 8.941 1.00 0.00 N ATOM 295 CA SER A 22 -7.294 -4.318 7.886 1.00 0.00 C ATOM 296 C SER A 22 -8.202 -3.176 8.325 1.00 0.00 C ATOM 297 O SER A 22 -8.623 -3.121 9.487 1.00 0.00 O ATOM 298 CB SER A 22 -8.054 -5.571 7.471 1.00 0.00 C ATOM 299 OG SER A 22 -8.678 -6.249 8.553 1.00 0.00 O ATOM 0 H SER A 22 -6.751 -4.527 9.880 1.00 0.00 H new ATOM 0 HA SER A 22 -6.756 -3.938 7.017 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.814 -5.298 6.739 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.365 -6.255 6.975 1.00 0.00 H new ATOM 0 HG SER A 22 -9.148 -7.040 8.216 1.00 0.00 H new ATOM 305 N THR A 23 -8.571 -2.308 7.386 1.00 0.00 N ATOM 306 CA THR A 23 -9.519 -1.236 7.614 1.00 0.00 C ATOM 307 C THR A 23 -10.346 -1.056 6.350 1.00 0.00 C ATOM 308 O THR A 23 -9.912 -1.407 5.251 1.00 0.00 O ATOM 309 CB THR A 23 -8.800 0.047 8.065 1.00 0.00 C ATOM 310 OG1 THR A 23 -9.755 0.861 8.717 1.00 0.00 O ATOM 311 CG2 THR A 23 -8.137 0.838 6.936 1.00 0.00 C ATOM 0 H THR A 23 -8.210 -2.336 6.432 1.00 0.00 H new ATOM 0 HA THR A 23 -10.197 -1.486 8.430 1.00 0.00 H new ATOM 0 HB THR A 23 -7.983 -0.251 8.722 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.301 1.455 9.350 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.655 1.725 7.347 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.390 0.214 6.445 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.892 1.139 6.210 1.00 0.00 H new ATOM 319 N THR A 24 -11.526 -0.475 6.503 1.00 0.00 N ATOM 320 CA THR A 24 -12.418 -0.145 5.414 1.00 0.00 C ATOM 321 C THR A 24 -12.553 1.374 5.427 1.00 0.00 C ATOM 322 O THR A 24 -12.954 1.956 6.441 1.00 0.00 O ATOM 323 CB THR A 24 -13.720 -0.939 5.582 1.00 0.00 C ATOM 324 OG1 THR A 24 -13.406 -2.321 5.632 1.00 0.00 O ATOM 325 CG2 THR A 24 -14.704 -0.688 4.441 1.00 0.00 C ATOM 0 H THR A 24 -11.896 -0.214 7.417 1.00 0.00 H new ATOM 0 HA THR A 24 -12.055 -0.429 4.426 1.00 0.00 H new ATOM 0 HB THR A 24 -14.198 -0.610 6.505 1.00 0.00 H new ATOM 0 HG1 THR A 24 -14.230 -2.840 5.741 1.00 0.00 H new ATOM 0 HG21 THR A 24 -15.609 -1.272 4.606 1.00 0.00 H new ATOM 0 HG22 THR A 24 -14.958 0.372 4.406 1.00 0.00 H new ATOM 0 HG23 THR A 24 -14.248 -0.984 3.496 1.00 0.00 H new ATOM 333 N LEU A 25 -12.113 2.033 4.349 1.00 0.00 N ATOM 334 CA LEU A 25 -12.178 3.489 4.222 1.00 0.00 C ATOM 335 C LEU A 25 -13.307 3.865 3.276 1.00 0.00 C ATOM 336 O LEU A 25 -13.503 3.195 2.256 1.00 0.00 O ATOM 337 CB LEU A 25 -10.879 4.065 3.648 1.00 0.00 C ATOM 338 CG LEU A 25 -9.607 4.023 4.514 1.00 0.00 C ATOM 339 CD1 LEU A 25 -8.792 5.296 4.283 1.00 0.00 C ATOM 340 CD2 LEU A 25 -9.835 3.908 6.028 1.00 0.00 C ATOM 0 H LEU A 25 -11.701 1.568 3.540 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.342 3.897 5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.665 3.536 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.066 5.106 3.386 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.095 3.114 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.891 5.267 4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.514 5.364 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.390 6.165 4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.873 3.887 6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.412 4.765 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.382 2.990 6.245 1.00 0.00 H new ATOM 352 N LYS A 26 -13.978 4.989 3.540 1.00 0.00 N ATOM 353 CA LYS A 26 -15.032 5.540 2.694 1.00 0.00 C ATOM 354 C LYS A 26 -14.463 6.693 1.872 1.00 0.00 C ATOM 355 O LYS A 26 -13.857 7.609 2.436 1.00 0.00 O ATOM 356 CB LYS A 26 -16.233 5.973 3.552 1.00 0.00 C ATOM 357 CG LYS A 26 -17.483 6.158 2.682 1.00 0.00 C ATOM 358 CD LYS A 26 -18.626 6.879 3.405 1.00 0.00 C ATOM 359 CE LYS A 26 -18.408 8.398 3.368 1.00 0.00 C ATOM 360 NZ LYS A 26 -19.594 9.144 3.832 1.00 0.00 N ATOM 0 H LYS A 26 -13.796 5.553 4.370 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.395 4.779 2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -16.426 5.224 4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.001 6.905 4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.215 6.722 1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -17.833 5.181 2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -19.577 6.630 2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -18.683 6.538 4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -17.552 8.656 3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -18.164 8.703 2.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.400 10.165 3.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -20.406 8.920 3.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -19.813 8.874 4.812 1.00 0.00 H new ATOM 374 N LYS A 27 -14.631 6.647 0.554 1.00 0.00 N ATOM 375 CA LYS A 27 -14.132 7.627 -0.400 1.00 0.00 C ATOM 376 C LYS A 27 -14.632 9.030 -0.029 1.00 0.00 C ATOM 377 O LYS A 27 -15.835 9.298 -0.138 1.00 0.00 O ATOM 378 CB LYS A 27 -14.568 7.203 -1.811 1.00 0.00 C ATOM 379 CG LYS A 27 -13.778 7.896 -2.934 1.00 0.00 C ATOM 380 CD LYS A 27 -12.532 7.095 -3.355 1.00 0.00 C ATOM 381 CE LYS A 27 -11.995 7.647 -4.684 1.00 0.00 C ATOM 382 NZ LYS A 27 -10.951 6.813 -5.307 1.00 0.00 N ATOM 0 H LYS A 27 -15.143 5.889 0.103 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.043 7.667 -0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.452 6.124 -1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.628 7.422 -1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.427 8.035 -3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.474 8.888 -2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.765 7.163 -2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.784 6.040 -3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.825 7.752 -5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.593 8.646 -4.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.617 7.269 -6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.155 6.704 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.344 5.877 -5.534 1.00 0.00 H new ATOM 396 N SER A 28 -13.740 9.902 0.438 1.00 0.00 N ATOM 397 CA SER A 28 -14.049 11.268 0.835 1.00 0.00 C ATOM 398 C SER A 28 -14.169 12.180 -0.394 1.00 0.00 C ATOM 399 O SER A 28 -14.062 11.733 -1.541 1.00 0.00 O ATOM 400 CB SER A 28 -12.949 11.756 1.787 1.00 0.00 C ATOM 401 OG SER A 28 -11.703 11.792 1.114 1.00 0.00 O ATOM 0 H SER A 28 -12.754 9.667 0.553 1.00 0.00 H new ATOM 0 HA SER A 28 -15.011 11.298 1.347 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.197 12.749 2.163 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.885 11.095 2.651 1.00 0.00 H new ATOM 0 HG SER A 28 -11.008 12.106 1.729 1.00 0.00 H new ATOM 407 N ASN A 29 -14.321 13.487 -0.151 1.00 0.00 N ATOM 408 CA ASN A 29 -14.175 14.537 -1.160 1.00 0.00 C ATOM 409 C ASN A 29 -12.780 14.556 -1.799 1.00 0.00 C ATOM 410 O ASN A 29 -12.619 15.165 -2.855 1.00 0.00 O ATOM 411 CB ASN A 29 -14.469 15.925 -0.558 1.00 0.00 C ATOM 412 CG ASN A 29 -13.351 16.426 0.355 1.00 0.00 C ATOM 413 OD1 ASN A 29 -13.029 15.753 1.331 1.00 0.00 O ATOM 414 ND2 ASN A 29 -12.759 17.580 0.086 1.00 0.00 N ATOM 0 H ASN A 29 -14.554 13.850 0.773 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.902 14.307 -1.939 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.620 16.641 -1.366 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.400 15.881 0.007 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -12.018 17.927 0.695 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.044 18.121 -0.730 1.00 0.00 H new ATOM 421 N MET A 30 -11.766 13.901 -1.222 1.00 0.00 N ATOM 422 CA MET A 30 -10.439 13.775 -1.822 1.00 0.00 C ATOM 423 C MET A 30 -9.970 12.324 -1.765 1.00 0.00 C ATOM 424 O MET A 30 -8.836 12.035 -1.370 1.00 0.00 O ATOM 425 CB MET A 30 -9.445 14.777 -1.218 1.00 0.00 C ATOM 426 CG MET A 30 -9.765 16.207 -1.653 1.00 0.00 C ATOM 427 SD MET A 30 -8.394 17.360 -1.409 1.00 0.00 S ATOM 428 CE MET A 30 -9.142 18.838 -2.133 1.00 0.00 C ATOM 0 H MET A 30 -11.848 13.440 -0.316 1.00 0.00 H new ATOM 0 HA MET A 30 -10.498 14.041 -2.877 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.474 14.710 -0.130 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.432 14.519 -1.527 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.043 16.204 -2.707 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.632 16.562 -1.096 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.438 19.668 -2.074 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.391 18.646 -3.177 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.049 19.092 -1.585 1.00 0.00 H new ATOM 438 N GLY A 31 -10.836 11.408 -2.198 1.00 0.00 N ATOM 439 CA GLY A 31 -10.473 10.034 -2.470 1.00 0.00 C ATOM 440 C GLY A 31 -10.224 9.249 -1.197 1.00 0.00 C ATOM 441 O GLY A 31 -11.182 8.961 -0.487 1.00 0.00 O ATOM 0 H GLY A 31 -11.821 11.611 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.268 9.555 -3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.577 10.012 -3.091 1.00 0.00 H new ATOM 445 N PHE A 32 -8.974 8.887 -0.916 1.00 0.00 N ATOM 446 CA PHE A 32 -8.594 8.305 0.364 1.00 0.00 C ATOM 447 C PHE A 32 -7.534 9.197 0.985 1.00 0.00 C ATOM 448 O PHE A 32 -6.787 9.884 0.285 1.00 0.00 O ATOM 449 CB PHE A 32 -8.097 6.854 0.245 1.00 0.00 C ATOM 450 CG PHE A 32 -9.023 5.920 -0.500 1.00 0.00 C ATOM 451 CD1 PHE A 32 -8.955 5.764 -1.900 1.00 0.00 C ATOM 452 CD2 PHE A 32 -9.946 5.170 0.239 1.00 0.00 C ATOM 453 CE1 PHE A 32 -9.838 4.883 -2.552 1.00 0.00 C ATOM 454 CE2 PHE A 32 -10.773 4.243 -0.401 1.00 0.00 C ATOM 455 CZ PHE A 32 -10.746 4.115 -1.803 1.00 0.00 C ATOM 0 H PHE A 32 -8.198 8.990 -1.570 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.478 8.254 1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.129 6.857 -0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.936 6.458 1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.226 6.320 -2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.019 5.308 1.308 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.818 4.797 -3.628 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.436 3.622 0.183 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.419 3.431 -2.299 1.00 0.00 H new ATOM 465 N GLY A 33 -7.445 9.201 2.311 1.00 0.00 N ATOM 466 CA GLY A 33 -6.419 9.959 3.010 1.00 0.00 C ATOM 467 C GLY A 33 -5.090 9.217 3.043 1.00 0.00 C ATOM 468 O GLY A 33 -4.394 9.326 4.040 1.00 0.00 O ATOM 0 H GLY A 33 -8.076 8.684 2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.284 10.924 2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.748 10.161 4.029 1.00 0.00 H new ATOM 472 N PHE A 34 -4.722 8.474 1.997 1.00 0.00 N ATOM 473 CA PHE A 34 -3.399 7.887 1.841 1.00 0.00 C ATOM 474 C PHE A 34 -3.105 7.736 0.349 1.00 0.00 C ATOM 475 O PHE A 34 -4.013 7.852 -0.483 1.00 0.00 O ATOM 476 CB PHE A 34 -3.314 6.543 2.587 1.00 0.00 C ATOM 477 CG PHE A 34 -4.115 5.420 1.959 1.00 0.00 C ATOM 478 CD1 PHE A 34 -5.496 5.327 2.197 1.00 0.00 C ATOM 479 CD2 PHE A 34 -3.479 4.447 1.164 1.00 0.00 C ATOM 480 CE1 PHE A 34 -6.258 4.307 1.612 1.00 0.00 C ATOM 481 CE2 PHE A 34 -4.233 3.393 0.615 1.00 0.00 C ATOM 482 CZ PHE A 34 -5.621 3.327 0.828 1.00 0.00 C ATOM 0 H PHE A 34 -5.351 8.262 1.222 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.643 8.537 2.281 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.269 6.239 2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.658 6.689 3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.977 6.051 2.839 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.417 4.509 0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.327 4.273 1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.743 2.631 0.027 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.198 2.525 0.391 1.00 0.00 H new ATOM 492 N THR A 35 -1.845 7.465 0.013 1.00 0.00 N ATOM 493 CA THR A 35 -1.393 7.245 -1.354 1.00 0.00 C ATOM 494 C THR A 35 -0.495 6.006 -1.366 1.00 0.00 C ATOM 495 O THR A 35 -0.005 5.574 -0.318 1.00 0.00 O ATOM 496 CB THR A 35 -0.706 8.503 -1.924 1.00 0.00 C ATOM 497 OG1 THR A 35 0.548 8.738 -1.333 1.00 0.00 O ATOM 498 CG2 THR A 35 -1.534 9.782 -1.737 1.00 0.00 C ATOM 0 H THR A 35 -1.096 7.391 0.701 1.00 0.00 H new ATOM 0 HA THR A 35 -2.241 7.061 -2.013 1.00 0.00 H new ATOM 0 HB THR A 35 -0.598 8.288 -2.987 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.948 9.542 -1.724 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.995 10.630 -2.159 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.492 9.672 -2.244 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.704 9.953 -0.674 1.00 0.00 H new ATOM 506 N ILE A 36 -0.283 5.405 -2.537 1.00 0.00 N ATOM 507 CA ILE A 36 0.336 4.098 -2.691 1.00 0.00 C ATOM 508 C ILE A 36 1.552 4.213 -3.627 1.00 0.00 C ATOM 509 O ILE A 36 1.703 5.211 -4.344 1.00 0.00 O ATOM 510 CB ILE A 36 -0.757 3.100 -3.161 1.00 0.00 C ATOM 511 CG1 ILE A 36 -2.063 3.216 -2.330 1.00 0.00 C ATOM 512 CG2 ILE A 36 -0.279 1.651 -3.001 1.00 0.00 C ATOM 513 CD1 ILE A 36 -3.168 4.079 -2.944 1.00 0.00 C ATOM 0 H ILE A 36 -0.546 5.830 -3.426 1.00 0.00 H new ATOM 0 HA ILE A 36 0.732 3.712 -1.752 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.950 3.351 -4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.459 2.213 -2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.813 3.622 -1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.062 0.971 -3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.618 1.496 -3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.054 1.456 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.032 4.090 -2.280 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.802 5.097 -3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.458 3.666 -3.910 1.00 0.00 H new ATOM 525 N ILE A 37 2.436 3.215 -3.597 1.00 0.00 N ATOM 526 CA ILE A 37 3.490 2.960 -4.562 1.00 0.00 C ATOM 527 C ILE A 37 3.341 1.517 -5.032 1.00 0.00 C ATOM 528 O ILE A 37 2.797 0.676 -4.312 1.00 0.00 O ATOM 529 CB ILE A 37 4.865 3.198 -3.903 1.00 0.00 C ATOM 530 CG1 ILE A 37 5.988 3.314 -4.944 1.00 0.00 C ATOM 531 CG2 ILE A 37 5.203 2.127 -2.849 1.00 0.00 C ATOM 532 CD1 ILE A 37 7.241 4.001 -4.382 1.00 0.00 C ATOM 0 H ILE A 37 2.429 2.523 -2.848 1.00 0.00 H new ATOM 0 HA ILE A 37 3.417 3.632 -5.417 1.00 0.00 H new ATOM 0 HB ILE A 37 4.791 4.154 -3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.252 2.319 -5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.625 3.875 -5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.180 2.339 -2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.447 2.138 -2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.222 1.145 -3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 37 8.004 4.057 -5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.986 5.007 -4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.624 3.426 -3.538 1.00 0.00 H new ATOM 544 N GLY A 38 3.901 1.231 -6.195 1.00 0.00 N ATOM 545 CA GLY A 38 4.307 -0.094 -6.623 1.00 0.00 C ATOM 546 C GLY A 38 5.626 0.034 -7.366 1.00 0.00 C ATOM 547 O GLY A 38 5.892 1.106 -7.916 1.00 0.00 O ATOM 0 H GLY A 38 4.093 1.947 -6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.417 -0.755 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.548 -0.535 -7.269 1.00 0.00 H new ATOM 551 N GLY A 39 6.443 -1.015 -7.352 1.00 0.00 N ATOM 552 CA GLY A 39 7.774 -1.029 -7.933 1.00 0.00 C ATOM 553 C GLY A 39 7.734 -0.657 -9.403 1.00 0.00 C ATOM 554 O GLY A 39 8.172 0.435 -9.775 1.00 0.00 O ATOM 0 H GLY A 39 6.186 -1.904 -6.922 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.416 -0.331 -7.396 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.214 -2.020 -7.818 1.00 0.00 H new ATOM 558 N ASP A 40 7.201 -1.550 -10.242 1.00 0.00 N ATOM 559 CA ASP A 40 7.099 -1.280 -11.675 1.00 0.00 C ATOM 560 C ASP A 40 6.112 -2.198 -12.391 1.00 0.00 C ATOM 561 O ASP A 40 5.422 -1.746 -13.304 1.00 0.00 O ATOM 562 CB ASP A 40 8.484 -1.406 -12.345 1.00 0.00 C ATOM 563 CG ASP A 40 8.985 -0.083 -12.922 1.00 0.00 C ATOM 564 OD1 ASP A 40 8.169 0.754 -13.375 1.00 0.00 O ATOM 565 OD2 ASP A 40 10.225 0.100 -12.975 1.00 0.00 O ATOM 0 H ASP A 40 6.837 -2.458 -9.955 1.00 0.00 H new ATOM 0 HA ASP A 40 6.723 -0.261 -11.766 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.204 -1.774 -11.614 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.431 -2.148 -13.142 1.00 0.00 H new ATOM 570 N GLU A 41 6.047 -3.475 -12.013 1.00 0.00 N ATOM 571 CA GLU A 41 5.272 -4.508 -12.704 1.00 0.00 C ATOM 572 C GLU A 41 4.533 -5.392 -11.683 1.00 0.00 C ATOM 573 O GLU A 41 4.679 -5.145 -10.478 1.00 0.00 O ATOM 574 CB GLU A 41 6.235 -5.286 -13.627 1.00 0.00 C ATOM 575 CG GLU A 41 6.300 -4.625 -15.007 1.00 0.00 C ATOM 576 CD GLU A 41 6.726 -5.608 -16.090 1.00 0.00 C ATOM 577 OE1 GLU A 41 5.831 -6.273 -16.669 1.00 0.00 O ATOM 578 OE2 GLU A 41 7.933 -5.695 -16.399 1.00 0.00 O ATOM 0 H GLU A 41 6.545 -3.830 -11.196 1.00 0.00 H new ATOM 0 HA GLU A 41 4.490 -4.075 -13.328 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.230 -5.315 -13.183 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.900 -6.318 -13.726 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.323 -4.211 -15.257 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.002 -3.791 -14.977 1.00 0.00 H new ATOM 585 N PRO A 42 3.693 -6.367 -12.102 1.00 0.00 N ATOM 586 CA PRO A 42 3.026 -7.303 -11.196 1.00 0.00 C ATOM 587 C PRO A 42 4.010 -8.330 -10.587 1.00 0.00 C ATOM 588 O PRO A 42 3.805 -9.542 -10.647 1.00 0.00 O ATOM 589 CB PRO A 42 1.861 -7.910 -11.998 1.00 0.00 C ATOM 590 CG PRO A 42 2.129 -7.606 -13.469 1.00 0.00 C ATOM 591 CD PRO A 42 3.307 -6.638 -13.487 1.00 0.00 C ATOM 0 HA PRO A 42 2.629 -6.807 -10.311 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.797 -8.985 -11.832 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.910 -7.481 -11.682 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.363 -8.517 -14.020 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.253 -7.164 -13.943 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.144 -7.067 -14.038 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.032 -5.713 -13.994 1.00 0.00 H new ATOM 599 N ASP A 43 5.076 -7.830 -9.965 1.00 0.00 N ATOM 600 CA ASP A 43 6.169 -8.604 -9.372 1.00 0.00 C ATOM 601 C ASP A 43 6.763 -7.921 -8.135 1.00 0.00 C ATOM 602 O ASP A 43 7.555 -8.549 -7.437 1.00 0.00 O ATOM 603 CB ASP A 43 7.313 -8.781 -10.381 1.00 0.00 C ATOM 604 CG ASP A 43 7.176 -9.997 -11.288 1.00 0.00 C ATOM 605 OD1 ASP A 43 6.444 -9.985 -12.300 1.00 0.00 O ATOM 606 OD2 ASP A 43 7.896 -10.990 -11.016 1.00 0.00 O ATOM 0 H ASP A 43 5.209 -6.825 -9.855 1.00 0.00 H new ATOM 0 HA ASP A 43 5.737 -9.564 -9.087 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.375 -7.887 -11.001 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.253 -8.856 -9.835 1.00 0.00 H new ATOM 611 N GLU A 44 6.419 -6.668 -7.824 1.00 0.00 N ATOM 612 CA GLU A 44 6.936 -5.961 -6.648 1.00 0.00 C ATOM 613 C GLU A 44 5.796 -5.778 -5.646 1.00 0.00 C ATOM 614 O GLU A 44 4.622 -5.759 -6.027 1.00 0.00 O ATOM 615 CB GLU A 44 7.550 -4.602 -7.049 1.00 0.00 C ATOM 616 CG GLU A 44 8.873 -4.726 -7.837 1.00 0.00 C ATOM 617 CD GLU A 44 10.109 -4.157 -7.115 1.00 0.00 C ATOM 618 OE1 GLU A 44 10.046 -3.067 -6.496 1.00 0.00 O ATOM 619 OE2 GLU A 44 11.190 -4.784 -7.219 1.00 0.00 O ATOM 0 H GLU A 44 5.771 -6.113 -8.383 1.00 0.00 H new ATOM 0 HA GLU A 44 7.731 -6.548 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.828 -4.051 -7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.728 -4.014 -6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.051 -5.778 -8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.760 -4.214 -8.793 1.00 0.00 H new ATOM 626 N PHE A 45 6.134 -5.579 -4.374 1.00 0.00 N ATOM 627 CA PHE A 45 5.172 -5.364 -3.301 1.00 0.00 C ATOM 628 C PHE A 45 4.775 -3.897 -3.273 1.00 0.00 C ATOM 629 O PHE A 45 5.630 -3.009 -3.174 1.00 0.00 O ATOM 630 CB PHE A 45 5.755 -5.815 -1.954 1.00 0.00 C ATOM 631 CG PHE A 45 6.258 -7.237 -2.031 1.00 0.00 C ATOM 632 CD1 PHE A 45 5.329 -8.291 -2.090 1.00 0.00 C ATOM 633 CD2 PHE A 45 7.628 -7.485 -2.234 1.00 0.00 C ATOM 634 CE1 PHE A 45 5.770 -9.586 -2.417 1.00 0.00 C ATOM 635 CE2 PHE A 45 8.064 -8.779 -2.555 1.00 0.00 C ATOM 636 CZ PHE A 45 7.134 -9.823 -2.663 1.00 0.00 C ATOM 0 H PHE A 45 7.103 -5.563 -4.056 1.00 0.00 H new ATOM 0 HA PHE A 45 4.280 -5.964 -3.483 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.571 -5.152 -1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.992 -5.737 -1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.284 -8.107 -1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.343 -6.680 -2.143 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.061 -10.398 -2.479 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.114 -8.971 -2.719 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.467 -10.813 -2.936 1.00 0.00 H new ATOM 646 N LEU A 46 3.471 -3.652 -3.320 1.00 0.00 N ATOM 647 CA LEU A 46 2.876 -2.328 -3.260 1.00 0.00 C ATOM 648 C LEU A 46 2.830 -1.922 -1.791 1.00 0.00 C ATOM 649 O LEU A 46 2.484 -2.748 -0.936 1.00 0.00 O ATOM 650 CB LEU A 46 1.434 -2.389 -3.783 1.00 0.00 C ATOM 651 CG LEU A 46 1.296 -2.833 -5.252 1.00 0.00 C ATOM 652 CD1 LEU A 46 0.176 -3.862 -5.349 1.00 0.00 C ATOM 653 CD2 LEU A 46 0.966 -1.668 -6.185 1.00 0.00 C ATOM 0 H LEU A 46 2.778 -4.396 -3.404 1.00 0.00 H new ATOM 0 HA LEU A 46 3.453 -1.623 -3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.864 -3.075 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.981 -1.404 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 46 2.254 -3.250 -5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.067 -4.185 -6.384 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.417 -4.722 -4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.758 -3.416 -5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.880 -2.034 -7.208 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.023 -1.214 -5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.760 -0.923 -6.132 1.00 0.00 H new ATOM 665 N GLN A 47 3.126 -0.658 -1.487 1.00 0.00 N ATOM 666 CA GLN A 47 3.180 -0.154 -0.116 1.00 0.00 C ATOM 667 C GLN A 47 2.450 1.179 0.002 1.00 0.00 C ATOM 668 O GLN A 47 2.289 1.897 -0.987 1.00 0.00 O ATOM 669 CB GLN A 47 4.633 0.004 0.349 1.00 0.00 C ATOM 670 CG GLN A 47 5.396 -1.322 0.322 1.00 0.00 C ATOM 671 CD GLN A 47 6.751 -1.199 0.999 1.00 0.00 C ATOM 672 OE1 GLN A 47 7.778 -1.065 0.352 1.00 0.00 O ATOM 673 NE2 GLN A 47 6.817 -1.216 2.317 1.00 0.00 N ATOM 0 H GLN A 47 3.336 0.049 -2.191 1.00 0.00 H new ATOM 0 HA GLN A 47 2.683 -0.882 0.525 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.141 0.726 -0.290 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.647 0.409 1.361 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.807 -2.092 0.821 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.532 -1.644 -0.711 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.966 -1.327 2.869 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.719 -1.118 2.784 1.00 0.00 H new ATOM 682 N VAL A 48 1.999 1.533 1.207 1.00 0.00 N ATOM 683 CA VAL A 48 1.485 2.869 1.455 1.00 0.00 C ATOM 684 C VAL A 48 2.664 3.845 1.331 1.00 0.00 C ATOM 685 O VAL A 48 3.637 3.762 2.088 1.00 0.00 O ATOM 686 CB VAL A 48 0.786 2.885 2.826 1.00 0.00 C ATOM 687 CG1 VAL A 48 0.504 4.297 3.353 1.00 0.00 C ATOM 688 CG2 VAL A 48 -0.539 2.116 2.708 1.00 0.00 C ATOM 0 H VAL A 48 1.982 0.914 2.017 1.00 0.00 H new ATOM 0 HA VAL A 48 0.730 3.178 0.732 1.00 0.00 H new ATOM 0 HB VAL A 48 1.463 2.416 3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.010 4.232 4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.443 4.840 3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.142 4.825 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.048 2.118 3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.173 2.596 1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.338 1.088 2.406 1.00 0.00 H new ATOM 698 N LYS A 49 2.609 4.721 0.325 1.00 0.00 N ATOM 699 CA LYS A 49 3.595 5.759 0.047 1.00 0.00 C ATOM 700 C LYS A 49 3.487 6.865 1.081 1.00 0.00 C ATOM 701 O LYS A 49 4.490 7.247 1.683 1.00 0.00 O ATOM 702 CB LYS A 49 3.367 6.281 -1.383 1.00 0.00 C ATOM 703 CG LYS A 49 4.380 7.335 -1.862 1.00 0.00 C ATOM 704 CD LYS A 49 4.023 7.869 -3.260 1.00 0.00 C ATOM 705 CE LYS A 49 4.434 6.892 -4.369 1.00 0.00 C ATOM 706 NZ LYS A 49 3.624 7.046 -5.598 1.00 0.00 N ATOM 0 H LYS A 49 1.841 4.723 -0.346 1.00 0.00 H new ATOM 0 HA LYS A 49 4.606 5.357 0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.393 5.435 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.366 6.708 -1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.409 8.162 -1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.378 6.898 -1.883 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.950 8.051 -3.316 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.517 8.827 -3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.486 7.046 -4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.337 5.870 -4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.174 6.723 -6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.758 6.477 -5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.370 8.047 -5.723 1.00 0.00 H new ATOM 720 N SER A 50 2.281 7.383 1.287 1.00 0.00 N ATOM 721 CA SER A 50 2.029 8.473 2.215 1.00 0.00 C ATOM 722 C SER A 50 0.682 8.262 2.889 1.00 0.00 C ATOM 723 O SER A 50 -0.190 7.595 2.331 1.00 0.00 O ATOM 724 CB SER A 50 1.996 9.799 1.446 1.00 0.00 C ATOM 725 OG SER A 50 3.146 10.001 0.635 1.00 0.00 O ATOM 0 H SER A 50 1.444 7.052 0.808 1.00 0.00 H new ATOM 0 HA SER A 50 2.819 8.499 2.965 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.106 9.826 0.817 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.910 10.622 2.156 1.00 0.00 H new ATOM 0 HG SER A 50 3.070 10.859 0.168 1.00 0.00 H new ATOM 731 N VAL A 51 0.468 8.947 4.007 1.00 0.00 N ATOM 732 CA VAL A 51 -0.843 9.174 4.589 1.00 0.00 C ATOM 733 C VAL A 51 -1.058 10.689 4.494 1.00 0.00 C ATOM 734 O VAL A 51 -0.108 11.461 4.661 1.00 0.00 O ATOM 735 CB VAL A 51 -0.908 8.561 6.004 1.00 0.00 C ATOM 736 CG1 VAL A 51 -2.301 8.729 6.621 1.00 0.00 C ATOM 737 CG2 VAL A 51 -0.608 7.049 5.955 1.00 0.00 C ATOM 0 H VAL A 51 1.224 9.370 4.545 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.664 8.678 4.071 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.166 9.084 6.607 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.313 8.287 7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.542 9.790 6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.039 8.230 5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.659 6.635 6.962 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.343 6.553 5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.390 6.889 5.547 1.00 0.00 H new ATOM 747 N ILE A 52 -2.267 11.126 4.141 1.00 0.00 N ATOM 748 CA ILE A 52 -2.633 12.529 4.121 1.00 0.00 C ATOM 749 C ILE A 52 -2.819 12.963 5.573 1.00 0.00 C ATOM 750 O ILE A 52 -3.627 12.350 6.278 1.00 0.00 O ATOM 751 CB ILE A 52 -3.946 12.762 3.346 1.00 0.00 C ATOM 752 CG1 ILE A 52 -3.939 12.297 1.891 1.00 0.00 C ATOM 753 CG2 ILE A 52 -4.339 14.222 3.293 1.00 0.00 C ATOM 754 CD1 ILE A 52 -2.740 12.654 1.015 1.00 0.00 C ATOM 0 H ILE A 52 -3.023 10.503 3.859 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.854 13.104 3.621 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.651 12.160 3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.038 11.212 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.831 12.699 1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.270 14.328 2.736 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.478 14.599 4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.553 14.793 2.798 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.889 12.252 0.013 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.640 13.738 0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.834 12.227 1.446 1.00 0.00 H new ATOM 766 N PRO A 53 -2.159 14.046 5.994 1.00 0.00 N ATOM 767 CA PRO A 53 -2.331 14.574 7.325 1.00 0.00 C ATOM 768 C PRO A 53 -3.719 15.186 7.461 1.00 0.00 C ATOM 769 O PRO A 53 -4.139 15.985 6.616 1.00 0.00 O ATOM 770 CB PRO A 53 -1.245 15.634 7.462 1.00 0.00 C ATOM 771 CG PRO A 53 -1.012 16.120 6.033 1.00 0.00 C ATOM 772 CD PRO A 53 -1.248 14.867 5.212 1.00 0.00 C ATOM 0 HA PRO A 53 -2.248 13.812 8.100 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.564 16.449 8.113 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.335 15.218 7.894 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.701 16.919 5.760 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.003 16.509 5.897 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.678 15.111 4.241 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.312 14.341 5.023 1.00 0.00 H new ATOM 780 N ASP A 54 -4.401 14.848 8.556 1.00 0.00 N ATOM 781 CA ASP A 54 -5.781 15.248 8.853 1.00 0.00 C ATOM 782 C ASP A 54 -6.779 14.639 7.858 1.00 0.00 C ATOM 783 O ASP A 54 -7.936 15.062 7.772 1.00 0.00 O ATOM 784 CB ASP A 54 -5.866 16.783 8.939 1.00 0.00 C ATOM 785 CG ASP A 54 -6.974 17.329 9.832 1.00 0.00 C ATOM 786 OD1 ASP A 54 -7.365 16.680 10.832 1.00 0.00 O ATOM 787 OD2 ASP A 54 -7.336 18.511 9.642 1.00 0.00 O ATOM 0 H ASP A 54 -3.994 14.267 9.289 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.069 14.847 9.825 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.911 17.163 9.301 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.006 17.179 7.933 1.00 0.00 H new ATOM 792 N GLY A 55 -6.336 13.657 7.065 1.00 0.00 N ATOM 793 CA GLY A 55 -7.139 12.944 6.089 1.00 0.00 C ATOM 794 C GLY A 55 -7.847 11.749 6.726 1.00 0.00 C ATOM 795 O GLY A 55 -7.488 11.314 7.817 1.00 0.00 O ATOM 0 H GLY A 55 -5.370 13.331 7.094 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.877 13.620 5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.504 12.601 5.272 1.00 0.00 H new ATOM 799 N PRO A 56 -8.817 11.138 6.031 1.00 0.00 N ATOM 800 CA PRO A 56 -9.695 10.137 6.627 1.00 0.00 C ATOM 801 C PRO A 56 -8.940 8.891 7.092 1.00 0.00 C ATOM 802 O PRO A 56 -9.295 8.298 8.108 1.00 0.00 O ATOM 803 CB PRO A 56 -10.740 9.796 5.559 1.00 0.00 C ATOM 804 CG PRO A 56 -10.186 10.367 4.257 1.00 0.00 C ATOM 805 CD PRO A 56 -9.236 11.475 4.689 1.00 0.00 C ATOM 0 HA PRO A 56 -10.161 10.532 7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.889 8.719 5.484 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.708 10.236 5.801 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.665 9.603 3.680 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.984 10.755 3.624 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.380 11.539 4.017 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.732 12.445 4.667 1.00 0.00 H new ATOM 813 N ALA A 57 -7.886 8.503 6.369 1.00 0.00 N ATOM 814 CA ALA A 57 -7.068 7.365 6.754 1.00 0.00 C ATOM 815 C ALA A 57 -6.332 7.652 8.066 1.00 0.00 C ATOM 816 O ALA A 57 -6.259 6.765 8.915 1.00 0.00 O ATOM 817 CB ALA A 57 -6.091 7.025 5.627 1.00 0.00 C ATOM 0 H ALA A 57 -7.584 8.966 5.512 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.711 6.501 6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.480 6.171 5.920 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.649 6.779 4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.447 7.883 5.433 1.00 0.00 H new ATOM 823 N ALA A 58 -5.824 8.880 8.236 1.00 0.00 N ATOM 824 CA ALA A 58 -5.190 9.322 9.468 1.00 0.00 C ATOM 825 C ALA A 58 -6.205 9.331 10.619 1.00 0.00 C ATOM 826 O ALA A 58 -5.861 8.902 11.715 1.00 0.00 O ATOM 827 CB ALA A 58 -4.532 10.700 9.276 1.00 0.00 C ATOM 0 H ALA A 58 -5.846 9.596 7.510 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.400 8.618 9.730 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.063 11.013 10.209 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.776 10.636 8.494 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.290 11.428 8.989 1.00 0.00 H new ATOM 833 N GLN A 59 -7.448 9.767 10.384 1.00 0.00 N ATOM 834 CA GLN A 59 -8.490 9.777 11.414 1.00 0.00 C ATOM 835 C GLN A 59 -8.922 8.366 11.835 1.00 0.00 C ATOM 836 O GLN A 59 -9.236 8.131 13.000 1.00 0.00 O ATOM 837 CB GLN A 59 -9.698 10.586 10.945 1.00 0.00 C ATOM 838 CG GLN A 59 -9.328 12.060 10.721 1.00 0.00 C ATOM 839 CD GLN A 59 -10.535 12.960 10.921 1.00 0.00 C ATOM 840 OE1 GLN A 59 -10.488 13.917 11.692 1.00 0.00 O ATOM 841 NE2 GLN A 59 -11.660 12.664 10.298 1.00 0.00 N ATOM 0 H GLN A 59 -7.758 10.121 9.479 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.058 10.252 12.295 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.086 10.161 10.019 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.495 10.517 11.686 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.536 12.349 11.412 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.935 12.191 9.713 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.695 11.870 9.659 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.494 13.230 10.455 1.00 0.00 H new ATOM 850 N ASP A 60 -8.991 7.422 10.890 1.00 0.00 N ATOM 851 CA ASP A 60 -9.212 5.999 11.183 1.00 0.00 C ATOM 852 C ASP A 60 -7.977 5.381 11.857 1.00 0.00 C ATOM 853 O ASP A 60 -8.073 4.388 12.578 1.00 0.00 O ATOM 854 CB ASP A 60 -9.520 5.267 9.873 1.00 0.00 C ATOM 855 CG ASP A 60 -9.672 3.756 10.046 1.00 0.00 C ATOM 856 OD1 ASP A 60 -10.765 3.281 10.447 1.00 0.00 O ATOM 857 OD2 ASP A 60 -8.708 3.040 9.692 1.00 0.00 O ATOM 0 H ASP A 60 -8.895 7.623 9.895 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.052 5.900 11.870 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.438 5.671 9.446 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.722 5.465 9.158 1.00 0.00 H new ATOM 862 N GLY A 61 -6.803 5.964 11.627 1.00 0.00 N ATOM 863 CA GLY A 61 -5.566 5.748 12.355 1.00 0.00 C ATOM 864 C GLY A 61 -4.795 4.521 11.890 1.00 0.00 C ATOM 865 O GLY A 61 -3.600 4.440 12.176 1.00 0.00 O ATOM 0 H GLY A 61 -6.689 6.644 10.876 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.932 6.628 12.248 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.791 5.645 13.416 1.00 0.00 H new ATOM 869 N LYS A 62 -5.417 3.597 11.148 1.00 0.00 N ATOM 870 CA LYS A 62 -4.767 2.320 10.854 1.00 0.00 C ATOM 871 C LYS A 62 -3.768 2.378 9.700 1.00 0.00 C ATOM 872 O LYS A 62 -2.771 1.662 9.740 1.00 0.00 O ATOM 873 CB LYS A 62 -5.808 1.241 10.571 1.00 0.00 C ATOM 874 CG LYS A 62 -6.647 0.888 11.804 1.00 0.00 C ATOM 875 CD LYS A 62 -7.557 -0.288 11.472 1.00 0.00 C ATOM 876 CE LYS A 62 -8.037 -1.005 12.731 1.00 0.00 C ATOM 877 NZ LYS A 62 -9.154 -0.300 13.380 1.00 0.00 N ATOM 0 H LYS A 62 -6.349 3.707 10.749 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.196 2.074 11.749 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.468 1.580 9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.306 0.344 10.210 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.996 0.634 12.641 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.242 1.748 12.112 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.418 0.067 10.905 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.023 -0.992 10.834 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.349 -2.017 12.474 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.209 -1.095 13.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.447 -0.822 14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.850 0.658 13.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.955 -0.236 12.720 1.00 0.00 H new ATOM 891 N MET A 63 -4.036 3.150 8.646 1.00 0.00 N ATOM 892 CA MET A 63 -3.151 3.265 7.492 1.00 0.00 C ATOM 893 C MET A 63 -1.909 4.025 7.937 1.00 0.00 C ATOM 894 O MET A 63 -2.040 5.176 8.365 1.00 0.00 O ATOM 895 CB MET A 63 -3.854 4.022 6.356 1.00 0.00 C ATOM 896 CG MET A 63 -3.532 3.442 4.980 1.00 0.00 C ATOM 897 SD MET A 63 -4.549 2.024 4.474 1.00 0.00 S ATOM 898 CE MET A 63 -6.182 2.793 4.583 1.00 0.00 C ATOM 0 H MET A 63 -4.881 3.717 8.571 1.00 0.00 H new ATOM 0 HA MET A 63 -2.882 2.276 7.120 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.932 3.992 6.516 1.00 0.00 H new ATOM 0 HB3 MET A 63 -3.557 5.070 6.384 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.644 4.231 4.237 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.485 3.139 4.968 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.813 2.422 3.775 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.637 2.546 5.542 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.081 3.875 4.497 1.00 0.00 H new ATOM 908 N GLU A 64 -0.730 3.411 7.867 1.00 0.00 N ATOM 909 CA GLU A 64 0.526 4.002 8.318 1.00 0.00 C ATOM 910 C GLU A 64 1.610 3.737 7.265 1.00 0.00 C ATOM 911 O GLU A 64 1.410 2.982 6.307 1.00 0.00 O ATOM 912 CB GLU A 64 0.883 3.500 9.731 1.00 0.00 C ATOM 913 CG GLU A 64 -0.115 4.031 10.786 1.00 0.00 C ATOM 914 CD GLU A 64 -0.060 3.310 12.133 1.00 0.00 C ATOM 915 OE1 GLU A 64 0.973 3.400 12.833 1.00 0.00 O ATOM 916 OE2 GLU A 64 -1.057 2.658 12.525 1.00 0.00 O ATOM 0 H GLU A 64 -0.620 2.471 7.488 1.00 0.00 H new ATOM 0 HA GLU A 64 0.433 5.084 8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.882 2.410 9.743 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.892 3.821 9.989 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.078 5.091 10.948 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.125 3.948 10.385 1.00 0.00 H new ATOM 923 N THR A 65 2.730 4.443 7.377 1.00 0.00 N ATOM 924 CA THR A 65 3.537 4.799 6.220 1.00 0.00 C ATOM 925 C THR A 65 4.740 3.863 6.098 1.00 0.00 C ATOM 926 O THR A 65 5.772 4.030 6.750 1.00 0.00 O ATOM 927 CB THR A 65 3.946 6.265 6.333 1.00 0.00 C ATOM 928 OG1 THR A 65 2.869 7.069 6.784 1.00 0.00 O ATOM 929 CG2 THR A 65 4.450 6.833 5.005 1.00 0.00 C ATOM 0 H THR A 65 3.100 4.781 8.265 1.00 0.00 H new ATOM 0 HA THR A 65 2.957 4.679 5.305 1.00 0.00 H new ATOM 0 HB THR A 65 4.759 6.291 7.059 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.162 8.002 6.848 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.728 7.878 5.139 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.320 6.266 4.673 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.662 6.760 4.256 1.00 0.00 H new ATOM 937 N GLY A 66 4.585 2.878 5.223 1.00 0.00 N ATOM 938 CA GLY A 66 5.535 1.800 4.976 1.00 0.00 C ATOM 939 C GLY A 66 4.871 0.427 4.995 1.00 0.00 C ATOM 940 O GLY A 66 5.509 -0.564 4.648 1.00 0.00 O ATOM 0 H GLY A 66 3.753 2.805 4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.015 1.956 4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.321 1.831 5.731 1.00 0.00 H new ATOM 944 N ASP A 67 3.592 0.347 5.356 1.00 0.00 N ATOM 945 CA ASP A 67 2.865 -0.919 5.355 1.00 0.00 C ATOM 946 C ASP A 67 2.658 -1.424 3.916 1.00 0.00 C ATOM 947 O ASP A 67 2.740 -0.653 2.956 1.00 0.00 O ATOM 948 CB ASP A 67 1.507 -0.718 6.017 1.00 0.00 C ATOM 949 CG ASP A 67 1.396 -1.078 7.493 1.00 0.00 C ATOM 950 OD1 ASP A 67 2.395 -1.046 8.238 1.00 0.00 O ATOM 951 OD2 ASP A 67 0.252 -1.332 7.925 1.00 0.00 O ATOM 0 H ASP A 67 3.036 1.149 5.654 1.00 0.00 H new ATOM 0 HA ASP A 67 3.446 -1.658 5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.226 0.329 5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.772 -1.308 5.469 1.00 0.00 H new ATOM 956 N VAL A 68 2.327 -2.708 3.762 1.00 0.00 N ATOM 957 CA VAL A 68 2.308 -3.455 2.497 1.00 0.00 C ATOM 958 C VAL A 68 0.860 -3.805 2.129 1.00 0.00 C ATOM 959 O VAL A 68 0.182 -4.462 2.914 1.00 0.00 O ATOM 960 CB VAL A 68 3.195 -4.717 2.647 1.00 0.00 C ATOM 961 CG1 VAL A 68 3.104 -5.639 1.422 1.00 0.00 C ATOM 962 CG2 VAL A 68 4.669 -4.345 2.878 1.00 0.00 C ATOM 0 H VAL A 68 2.050 -3.287 4.555 1.00 0.00 H new ATOM 0 HA VAL A 68 2.713 -2.851 1.685 1.00 0.00 H new ATOM 0 HB VAL A 68 2.813 -5.250 3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.742 -6.509 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.072 -5.965 1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.432 -5.098 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.262 -5.254 2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.035 -3.765 2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.756 -3.752 3.788 1.00 0.00 H new ATOM 972 N ILE A 69 0.368 -3.357 0.967 1.00 0.00 N ATOM 973 CA ILE A 69 -0.959 -3.640 0.417 1.00 0.00 C ATOM 974 C ILE A 69 -1.024 -5.114 0.015 1.00 0.00 C ATOM 975 O ILE A 69 -0.402 -5.512 -0.969 1.00 0.00 O ATOM 976 CB ILE A 69 -1.255 -2.691 -0.775 1.00 0.00 C ATOM 977 CG1 ILE A 69 -1.494 -1.241 -0.315 1.00 0.00 C ATOM 978 CG2 ILE A 69 -2.493 -3.106 -1.589 1.00 0.00 C ATOM 979 CD1 ILE A 69 -0.228 -0.438 -0.075 1.00 0.00 C ATOM 0 H ILE A 69 0.917 -2.755 0.354 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.729 -3.458 1.167 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.364 -2.761 -1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.096 -0.730 -1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.078 -1.257 0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.644 -2.401 -2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.343 -4.106 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.371 -3.105 -0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.492 0.570 0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.368 -0.921 0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.350 -0.386 -0.998 1.00 0.00 H new ATOM 991 N VAL A 70 -1.788 -5.915 0.753 1.00 0.00 N ATOM 992 CA VAL A 70 -1.944 -7.339 0.465 1.00 0.00 C ATOM 993 C VAL A 70 -3.184 -7.567 -0.413 1.00 0.00 C ATOM 994 O VAL A 70 -3.123 -8.231 -1.454 1.00 0.00 O ATOM 995 CB VAL A 70 -2.046 -8.125 1.786 1.00 0.00 C ATOM 996 CG1 VAL A 70 -1.874 -9.619 1.527 1.00 0.00 C ATOM 997 CG2 VAL A 70 -1.076 -7.642 2.877 1.00 0.00 C ATOM 0 H VAL A 70 -2.316 -5.597 1.566 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.073 -7.698 -0.084 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.045 -7.934 2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.948 -10.162 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.654 -9.963 0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.897 -9.801 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.209 -8.245 3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.050 -7.742 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.280 -6.597 3.108 1.00 0.00 H new ATOM 1007 N TYR A 71 -4.325 -7.026 0.021 1.00 0.00 N ATOM 1008 CA TYR A 71 -5.628 -7.213 -0.599 1.00 0.00 C ATOM 1009 C TYR A 71 -6.317 -5.851 -0.681 1.00 0.00 C ATOM 1010 O TYR A 71 -6.030 -4.959 0.131 1.00 0.00 O ATOM 1011 CB TYR A 71 -6.484 -8.200 0.219 1.00 0.00 C ATOM 1012 CG TYR A 71 -5.904 -9.589 0.463 1.00 0.00 C ATOM 1013 CD1 TYR A 71 -6.145 -10.631 -0.450 1.00 0.00 C ATOM 1014 CD2 TYR A 71 -5.192 -9.875 1.644 1.00 0.00 C ATOM 1015 CE1 TYR A 71 -5.599 -11.909 -0.233 1.00 0.00 C ATOM 1016 CE2 TYR A 71 -4.717 -11.168 1.910 1.00 0.00 C ATOM 1017 CZ TYR A 71 -4.878 -12.184 0.948 1.00 0.00 C ATOM 1018 OH TYR A 71 -4.330 -13.406 1.164 1.00 0.00 O ATOM 0 H TYR A 71 -4.362 -6.425 0.844 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.506 -7.632 -1.598 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.691 -7.745 1.188 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.441 -8.318 -0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.753 -10.449 -1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.008 -9.085 2.357 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.732 -12.683 -0.974 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.230 -11.384 2.849 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.870 -13.410 2.030 1.00 0.00 H new ATOM 1028 N ILE A 72 -7.232 -5.704 -1.637 1.00 0.00 N ATOM 1029 CA ILE A 72 -8.126 -4.564 -1.789 1.00 0.00 C ATOM 1030 C ILE A 72 -9.495 -5.168 -2.066 1.00 0.00 C ATOM 1031 O ILE A 72 -9.609 -6.064 -2.899 1.00 0.00 O ATOM 1032 CB ILE A 72 -7.665 -3.625 -2.931 1.00 0.00 C ATOM 1033 CG1 ILE A 72 -6.269 -3.052 -2.605 1.00 0.00 C ATOM 1034 CG2 ILE A 72 -8.696 -2.501 -3.181 1.00 0.00 C ATOM 1035 CD1 ILE A 72 -5.732 -2.061 -3.637 1.00 0.00 C ATOM 0 H ILE A 72 -7.375 -6.410 -2.359 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.139 -3.937 -0.897 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.594 -4.202 -3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.311 -2.558 -1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.564 -3.878 -2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.345 -1.858 -3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.654 -2.941 -3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.817 -1.910 -2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.748 -1.710 -3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.653 -2.552 -4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.412 -1.212 -3.714 1.00 0.00 H new ATOM 1047 N ASN A 73 -10.524 -4.649 -1.396 1.00 0.00 N ATOM 1048 CA ASN A 73 -11.878 -5.193 -1.327 1.00 0.00 C ATOM 1049 C ASN A 73 -11.830 -6.673 -0.949 1.00 0.00 C ATOM 1050 O ASN A 73 -11.789 -7.007 0.237 1.00 0.00 O ATOM 1051 CB ASN A 73 -12.639 -4.943 -2.650 1.00 0.00 C ATOM 1052 CG ASN A 73 -13.105 -3.511 -2.819 1.00 0.00 C ATOM 1053 OD1 ASN A 73 -14.108 -3.104 -2.064 1.00 0.00 O flip ATOM 1054 ND2 ASN A 73 -12.572 -2.753 -3.625 1.00 0.00 N flip ATOM 0 H ASN A 73 -10.428 -3.789 -0.857 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.434 -4.675 -0.546 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.993 -5.207 -3.487 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.504 -5.605 -2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.798 -3.084 -4.201 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.904 -1.793 -3.718 1.00 0.00 H new ATOM 1061 N GLU A 74 -11.809 -7.534 -1.958 1.00 0.00 N ATOM 1062 CA GLU A 74 -12.026 -8.969 -1.919 1.00 0.00 C ATOM 1063 C GLU A 74 -11.083 -9.647 -2.936 1.00 0.00 C ATOM 1064 O GLU A 74 -11.356 -10.751 -3.405 1.00 0.00 O ATOM 1065 CB GLU A 74 -13.526 -9.195 -2.210 1.00 0.00 C ATOM 1066 CG GLU A 74 -14.189 -10.197 -1.264 1.00 0.00 C ATOM 1067 CD GLU A 74 -15.710 -10.121 -1.406 1.00 0.00 C ATOM 1068 OE1 GLU A 74 -16.243 -10.633 -2.420 1.00 0.00 O ATOM 1069 OE2 GLU A 74 -16.378 -9.523 -0.527 1.00 0.00 O ATOM 0 H GLU A 74 -11.623 -7.214 -2.908 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.793 -9.415 -0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.049 -8.241 -2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.640 -9.546 -3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.844 -11.206 -1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.900 -9.984 -0.235 1.00 0.00 H new ATOM 1076 N VAL A 75 -10.002 -8.953 -3.322 1.00 0.00 N ATOM 1077 CA VAL A 75 -9.083 -9.279 -4.405 1.00 0.00 C ATOM 1078 C VAL A 75 -7.660 -9.227 -3.838 1.00 0.00 C ATOM 1079 O VAL A 75 -7.270 -8.228 -3.224 1.00 0.00 O ATOM 1080 CB VAL A 75 -9.284 -8.255 -5.551 1.00 0.00 C ATOM 1081 CG1 VAL A 75 -8.286 -8.407 -6.712 1.00 0.00 C ATOM 1082 CG2 VAL A 75 -10.709 -8.309 -6.133 1.00 0.00 C ATOM 0 H VAL A 75 -9.735 -8.090 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.265 -10.274 -4.810 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.106 -7.291 -5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.494 -7.654 -7.472 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.271 -8.275 -6.339 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.385 -9.401 -7.149 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.803 -7.574 -6.933 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.902 -9.305 -6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.431 -8.085 -5.348 1.00 0.00 H new ATOM 1092 N CYS A 76 -6.867 -10.283 -4.045 1.00 0.00 N ATOM 1093 CA CYS A 76 -5.446 -10.271 -3.734 1.00 0.00 C ATOM 1094 C CYS A 76 -4.717 -9.485 -4.810 1.00 0.00 C ATOM 1095 O CYS A 76 -4.873 -9.768 -6.000 1.00 0.00 O ATOM 1096 CB CYS A 76 -4.885 -11.690 -3.632 1.00 0.00 C ATOM 1097 SG CYS A 76 -3.287 -11.616 -2.766 1.00 0.00 S ATOM 0 H CYS A 76 -7.198 -11.166 -4.433 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.299 -9.796 -2.764 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -5.579 -12.334 -3.092 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -4.758 -12.120 -4.626 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.485 -11.691 -1.483 1.00 0.00 H new ATOM 1103 N VAL A 77 -3.892 -8.537 -4.381 1.00 0.00 N ATOM 1104 CA VAL A 77 -3.157 -7.617 -5.238 1.00 0.00 C ATOM 1105 C VAL A 77 -1.668 -7.582 -4.858 1.00 0.00 C ATOM 1106 O VAL A 77 -0.953 -6.702 -5.316 1.00 0.00 O ATOM 1107 CB VAL A 77 -3.825 -6.227 -5.174 1.00 0.00 C ATOM 1108 CG1 VAL A 77 -5.242 -6.224 -5.773 1.00 0.00 C ATOM 1109 CG2 VAL A 77 -3.885 -5.652 -3.754 1.00 0.00 C ATOM 0 H VAL A 77 -3.710 -8.383 -3.389 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.194 -7.961 -6.272 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.181 -5.588 -5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.665 -5.222 -5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.195 -6.525 -6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.871 -6.923 -5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.366 -4.674 -3.777 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.458 -6.323 -3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.874 -5.550 -3.360 1.00 0.00 H new ATOM 1119 N LEU A 78 -1.189 -8.498 -4.011 1.00 0.00 N ATOM 1120 CA LEU A 78 0.143 -8.419 -3.405 1.00 0.00 C ATOM 1121 C LEU A 78 1.300 -8.450 -4.413 1.00 0.00 C ATOM 1122 O LEU A 78 2.401 -8.023 -4.081 1.00 0.00 O ATOM 1123 CB LEU A 78 0.242 -9.455 -2.271 1.00 0.00 C ATOM 1124 CG LEU A 78 0.829 -10.848 -2.585 1.00 0.00 C ATOM 1125 CD1 LEU A 78 2.360 -10.820 -2.665 1.00 0.00 C ATOM 1126 CD2 LEU A 78 0.436 -11.847 -1.482 1.00 0.00 C ATOM 0 H LEU A 78 -1.719 -9.321 -3.725 1.00 0.00 H new ATOM 0 HA LEU A 78 0.263 -7.430 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.842 -9.016 -1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.761 -9.602 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 78 0.425 -11.150 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.731 -11.820 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.671 -10.134 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.768 -10.486 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.855 -12.827 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.825 -11.502 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.650 -11.920 -1.428 1.00 0.00 H new ATOM 1138 N GLY A 79 1.065 -8.957 -5.624 1.00 0.00 N ATOM 1139 CA GLY A 79 1.940 -8.841 -6.777 1.00 0.00 C ATOM 1140 C GLY A 79 1.139 -8.355 -7.983 1.00 0.00 C ATOM 1141 O GLY A 79 1.372 -8.836 -9.085 1.00 0.00 O ATOM 0 H GLY A 79 0.217 -9.484 -5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.751 -8.145 -6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.398 -9.805 -6.997 1.00 0.00 H new ATOM 1145 N HIS A 80 0.124 -7.504 -7.804 1.00 0.00 N ATOM 1146 CA HIS A 80 -0.477 -6.769 -8.923 1.00 0.00 C ATOM 1147 C HIS A 80 0.441 -5.601 -9.312 1.00 0.00 C ATOM 1148 O HIS A 80 1.294 -5.182 -8.527 1.00 0.00 O ATOM 1149 CB HIS A 80 -1.893 -6.272 -8.562 1.00 0.00 C ATOM 1150 CG HIS A 80 -3.034 -7.091 -9.123 1.00 0.00 C ATOM 1151 ND1 HIS A 80 -4.249 -6.608 -9.569 1.00 0.00 N ATOM 1152 CD2 HIS A 80 -3.009 -8.430 -9.400 1.00 0.00 C ATOM 1153 CE1 HIS A 80 -4.937 -7.630 -10.098 1.00 0.00 C ATOM 1154 NE2 HIS A 80 -4.212 -8.760 -10.039 1.00 0.00 N ATOM 0 H HIS A 80 -0.299 -7.307 -6.897 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.580 -7.438 -9.777 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.985 -6.249 -7.476 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -1.999 -5.245 -8.913 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -4.568 -5.641 -9.507 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.205 -9.112 -9.168 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.932 -7.556 -10.512 1.00 0.00 H new ATOM 1162 N THR A 81 0.270 -5.058 -10.519 1.00 0.00 N ATOM 1163 CA THR A 81 0.967 -3.846 -10.929 1.00 0.00 C ATOM 1164 C THR A 81 0.262 -2.651 -10.288 1.00 0.00 C ATOM 1165 O THR A 81 -0.956 -2.668 -10.053 1.00 0.00 O ATOM 1166 CB THR A 81 1.155 -3.759 -12.458 1.00 0.00 C ATOM 1167 OG1 THR A 81 1.386 -2.448 -12.922 1.00 0.00 O ATOM 1168 CG2 THR A 81 0.022 -4.354 -13.281 1.00 0.00 C ATOM 0 H THR A 81 -0.350 -5.444 -11.231 1.00 0.00 H new ATOM 0 HA THR A 81 1.994 -3.854 -10.565 1.00 0.00 H new ATOM 0 HB THR A 81 2.045 -4.370 -12.611 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.498 -2.461 -13.895 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.247 -4.245 -14.342 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.086 -5.412 -13.040 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.907 -3.833 -13.051 1.00 0.00 H new ATOM 1176 N HIS A 82 1.037 -1.593 -10.047 1.00 0.00 N ATOM 1177 CA HIS A 82 0.542 -0.309 -9.586 1.00 0.00 C ATOM 1178 C HIS A 82 -0.528 0.219 -10.534 1.00 0.00 C ATOM 1179 O HIS A 82 -1.499 0.792 -10.056 1.00 0.00 O ATOM 1180 CB HIS A 82 1.717 0.670 -9.451 1.00 0.00 C ATOM 1181 CG HIS A 82 1.443 1.861 -8.566 1.00 0.00 C ATOM 1182 ND1 HIS A 82 1.839 3.155 -8.818 1.00 0.00 N ATOM 1183 CD2 HIS A 82 0.836 1.847 -7.337 1.00 0.00 C ATOM 1184 CE1 HIS A 82 1.470 3.902 -7.763 1.00 0.00 C ATOM 1185 NE2 HIS A 82 0.850 3.151 -6.837 1.00 0.00 N ATOM 0 H HIS A 82 2.049 -1.612 -10.172 1.00 0.00 H new ATOM 0 HA HIS A 82 0.077 -0.423 -8.607 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.578 0.131 -9.056 1.00 0.00 H new ATOM 0 HB3 HIS A 82 1.992 1.027 -10.444 1.00 0.00 H new ATOM 0 HD1 HIS A 82 2.324 3.486 -9.652 1.00 0.00 H new ATOM 0 HD2 HIS A 82 0.421 0.981 -6.843 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.648 4.963 -7.672 1.00 0.00 H new ATOM 1193 N ALA A 83 -0.413 -0.022 -11.843 1.00 0.00 N ATOM 1194 CA ALA A 83 -1.419 0.382 -12.813 1.00 0.00 C ATOM 1195 C ALA A 83 -2.800 -0.145 -12.409 1.00 0.00 C ATOM 1196 O ALA A 83 -3.759 0.621 -12.285 1.00 0.00 O ATOM 1197 CB ALA A 83 -1.016 -0.124 -14.201 1.00 0.00 C ATOM 0 H ALA A 83 0.385 -0.505 -12.255 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.480 1.470 -12.840 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.768 0.177 -14.930 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.051 0.302 -14.477 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.942 -1.211 -14.184 1.00 0.00 H new ATOM 1203 N ASP A 84 -2.904 -1.455 -12.193 1.00 0.00 N ATOM 1204 CA ASP A 84 -4.164 -2.132 -11.906 1.00 0.00 C ATOM 1205 C ASP A 84 -4.719 -1.697 -10.547 1.00 0.00 C ATOM 1206 O ASP A 84 -5.877 -1.311 -10.433 1.00 0.00 O ATOM 1207 CB ASP A 84 -3.946 -3.648 -11.959 1.00 0.00 C ATOM 1208 CG ASP A 84 -5.290 -4.356 -11.905 1.00 0.00 C ATOM 1209 OD1 ASP A 84 -5.898 -4.594 -12.975 1.00 0.00 O ATOM 1210 OD2 ASP A 84 -5.752 -4.686 -10.795 1.00 0.00 O ATOM 0 H ASP A 84 -2.102 -2.084 -12.213 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.902 -1.855 -12.659 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.417 -3.918 -12.873 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.322 -3.966 -11.124 1.00 0.00 H new ATOM 1215 N VAL A 85 -3.890 -1.698 -9.507 1.00 0.00 N ATOM 1216 CA VAL A 85 -4.250 -1.306 -8.147 1.00 0.00 C ATOM 1217 C VAL A 85 -4.694 0.151 -8.094 1.00 0.00 C ATOM 1218 O VAL A 85 -5.708 0.471 -7.467 1.00 0.00 O ATOM 1219 CB VAL A 85 -3.074 -1.650 -7.210 1.00 0.00 C ATOM 1220 CG1 VAL A 85 -3.031 -0.839 -5.907 1.00 0.00 C ATOM 1221 CG2 VAL A 85 -3.219 -3.134 -6.876 1.00 0.00 C ATOM 0 H VAL A 85 -2.914 -1.982 -9.591 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.117 -1.867 -7.798 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.145 -1.404 -7.725 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.171 -1.150 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.946 0.222 -6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.945 -1.013 -5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.410 -3.438 -6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.176 -3.304 -6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.174 -3.720 -7.794 1.00 0.00 H new ATOM 1231 N VAL A 86 -3.999 1.053 -8.775 1.00 0.00 N ATOM 1232 CA VAL A 86 -4.435 2.432 -8.849 1.00 0.00 C ATOM 1233 C VAL A 86 -5.785 2.500 -9.571 1.00 0.00 C ATOM 1234 O VAL A 86 -6.663 3.230 -9.102 1.00 0.00 O ATOM 1235 CB VAL A 86 -3.324 3.290 -9.470 1.00 0.00 C ATOM 1236 CG1 VAL A 86 -3.837 4.698 -9.752 1.00 0.00 C ATOM 1237 CG2 VAL A 86 -2.127 3.386 -8.505 1.00 0.00 C ATOM 0 H VAL A 86 -3.136 0.851 -9.280 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.608 2.851 -7.858 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.012 2.820 -10.402 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.038 5.295 -10.192 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.676 4.647 -10.445 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.164 5.160 -8.820 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.345 3.997 -8.955 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.450 3.842 -7.569 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.738 2.387 -8.307 1.00 0.00 H new ATOM 1247 N LYS A 87 -6.014 1.716 -10.634 1.00 0.00 N ATOM 1248 CA LYS A 87 -7.325 1.721 -11.297 1.00 0.00 C ATOM 1249 C LYS A 87 -8.402 1.222 -10.332 1.00 0.00 C ATOM 1250 O LYS A 87 -9.487 1.799 -10.276 1.00 0.00 O ATOM 1251 CB LYS A 87 -7.265 0.990 -12.657 1.00 0.00 C ATOM 1252 CG LYS A 87 -7.936 -0.388 -12.812 1.00 0.00 C ATOM 1253 CD LYS A 87 -9.458 -0.334 -13.009 1.00 0.00 C ATOM 1254 CE LYS A 87 -9.854 -1.494 -13.927 1.00 0.00 C ATOM 1255 NZ LYS A 87 -11.310 -1.563 -14.165 1.00 0.00 N ATOM 0 H LYS A 87 -5.327 1.085 -11.045 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.613 2.740 -11.553 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.705 1.652 -13.403 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.213 0.871 -12.917 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.490 -0.902 -13.663 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.717 -0.987 -11.928 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.970 -0.414 -12.050 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.752 0.619 -13.449 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.339 -1.388 -14.882 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.518 -2.432 -13.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.522 -2.365 -14.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.804 -1.692 -13.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.631 -0.680 -14.612 1.00 0.00 H new ATOM 1269 N LEU A 88 -8.083 0.214 -9.521 1.00 0.00 N ATOM 1270 CA LEU A 88 -8.974 -0.383 -8.535 1.00 0.00 C ATOM 1271 C LEU A 88 -9.348 0.627 -7.450 1.00 0.00 C ATOM 1272 O LEU A 88 -10.460 0.557 -6.929 1.00 0.00 O ATOM 1273 CB LEU A 88 -8.307 -1.625 -7.915 1.00 0.00 C ATOM 1274 CG LEU A 88 -8.317 -2.880 -8.808 1.00 0.00 C ATOM 1275 CD1 LEU A 88 -7.312 -3.901 -8.262 1.00 0.00 C ATOM 1276 CD2 LEU A 88 -9.712 -3.509 -8.874 1.00 0.00 C ATOM 0 H LEU A 88 -7.162 -0.223 -9.536 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.894 -0.686 -9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.274 -1.380 -7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.811 -1.860 -6.977 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.035 -2.584 -9.818 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.318 -4.790 -8.893 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.314 -3.464 -8.260 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.589 -4.176 -7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.683 -4.392 -9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -10.030 -3.796 -7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -10.418 -2.787 -9.285 1.00 0.00 H new ATOM 1288 N PHE A 89 -8.462 1.568 -7.105 1.00 0.00 N ATOM 1289 CA PHE A 89 -8.784 2.674 -6.207 1.00 0.00 C ATOM 1290 C PHE A 89 -9.586 3.763 -6.922 1.00 0.00 C ATOM 1291 O PHE A 89 -10.554 4.284 -6.358 1.00 0.00 O ATOM 1292 CB PHE A 89 -7.512 3.295 -5.612 1.00 0.00 C ATOM 1293 CG PHE A 89 -6.844 2.494 -4.513 1.00 0.00 C ATOM 1294 CD1 PHE A 89 -7.499 2.337 -3.278 1.00 0.00 C ATOM 1295 CD2 PHE A 89 -5.543 1.984 -4.677 1.00 0.00 C ATOM 1296 CE1 PHE A 89 -6.836 1.746 -2.195 1.00 0.00 C ATOM 1297 CE2 PHE A 89 -4.885 1.375 -3.596 1.00 0.00 C ATOM 1298 CZ PHE A 89 -5.515 1.292 -2.344 1.00 0.00 C ATOM 0 H PHE A 89 -7.500 1.581 -7.444 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.391 2.258 -5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.792 3.445 -6.416 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.760 4.281 -5.219 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.519 2.674 -3.164 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.050 2.061 -5.635 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.340 1.639 -1.246 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.893 0.970 -3.728 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.985 0.880 -1.498 1.00 0.00 H new ATOM 1308 N GLN A 90 -9.179 4.179 -8.125 1.00 0.00 N ATOM 1309 CA GLN A 90 -9.823 5.275 -8.847 1.00 0.00 C ATOM 1310 C GLN A 90 -11.263 4.925 -9.235 1.00 0.00 C ATOM 1311 O GLN A 90 -12.123 5.810 -9.265 1.00 0.00 O ATOM 1312 CB GLN A 90 -9.003 5.671 -10.083 1.00 0.00 C ATOM 1313 CG GLN A 90 -7.697 6.400 -9.739 1.00 0.00 C ATOM 1314 CD GLN A 90 -7.053 6.969 -11.001 1.00 0.00 C ATOM 1315 OE1 GLN A 90 -6.271 6.307 -11.678 1.00 0.00 O ATOM 1316 NE2 GLN A 90 -7.343 8.208 -11.345 1.00 0.00 N ATOM 0 H GLN A 90 -8.393 3.763 -8.624 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.864 6.132 -8.175 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.770 4.775 -10.658 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.610 6.311 -10.723 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.898 7.205 -9.032 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.007 5.712 -9.250 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.993 8.755 -10.781 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.918 8.620 -12.176 1.00 0.00 H new ATOM 1325 N SER A 91 -11.544 3.638 -9.459 1.00 0.00 N ATOM 1326 CA SER A 91 -12.868 3.126 -9.773 1.00 0.00 C ATOM 1327 C SER A 91 -13.872 3.339 -8.633 1.00 0.00 C ATOM 1328 O SER A 91 -15.067 3.213 -8.891 1.00 0.00 O ATOM 1329 CB SER A 91 -12.742 1.637 -10.140 1.00 0.00 C ATOM 1330 OG SER A 91 -13.910 1.111 -10.759 1.00 0.00 O ATOM 0 H SER A 91 -10.832 2.908 -9.424 1.00 0.00 H new ATOM 0 HA SER A 91 -13.265 3.686 -10.620 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.893 1.505 -10.811 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.528 1.064 -9.238 1.00 0.00 H new ATOM 0 HG SER A 91 -14.697 1.601 -10.442 1.00 0.00 H new ATOM 1336 N VAL A 92 -13.447 3.671 -7.411 1.00 0.00 N ATOM 1337 CA VAL A 92 -14.326 3.774 -6.249 1.00 0.00 C ATOM 1338 C VAL A 92 -14.949 5.181 -6.273 1.00 0.00 C ATOM 1339 O VAL A 92 -14.213 6.169 -6.144 1.00 0.00 O ATOM 1340 CB VAL A 92 -13.512 3.504 -4.960 1.00 0.00 C ATOM 1341 CG1 VAL A 92 -14.404 3.460 -3.715 1.00 0.00 C ATOM 1342 CG2 VAL A 92 -12.743 2.177 -5.034 1.00 0.00 C ATOM 0 H VAL A 92 -12.471 3.878 -7.201 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.126 3.034 -6.273 1.00 0.00 H new ATOM 0 HB VAL A 92 -12.810 4.334 -4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.791 3.268 -2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -14.915 4.416 -3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.141 2.665 -3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -12.186 2.027 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.447 1.356 -5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -12.050 2.205 -5.875 1.00 0.00 H new ATOM 1352 N PRO A 93 -16.265 5.337 -6.504 1.00 0.00 N ATOM 1353 CA PRO A 93 -16.895 6.651 -6.498 1.00 0.00 C ATOM 1354 C PRO A 93 -17.056 7.174 -5.063 1.00 0.00 C ATOM 1355 O PRO A 93 -16.793 6.472 -4.084 1.00 0.00 O ATOM 1356 CB PRO A 93 -18.213 6.471 -7.236 1.00 0.00 C ATOM 1357 CG PRO A 93 -18.593 5.037 -6.918 1.00 0.00 C ATOM 1358 CD PRO A 93 -17.267 4.303 -6.722 1.00 0.00 C ATOM 0 HA PRO A 93 -16.292 7.411 -6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -18.969 7.175 -6.888 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.099 6.629 -8.308 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.209 4.983 -6.020 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -19.172 4.594 -7.729 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.319 3.624 -5.871 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.022 3.700 -7.596 1.00 0.00 H new ATOM 1366 N ILE A 94 -17.414 8.452 -4.938 1.00 0.00 N ATOM 1367 CA ILE A 94 -17.471 9.152 -3.656 1.00 0.00 C ATOM 1368 C ILE A 94 -18.568 8.507 -2.797 1.00 0.00 C ATOM 1369 O ILE A 94 -19.650 8.200 -3.296 1.00 0.00 O ATOM 1370 CB ILE A 94 -17.712 10.663 -3.886 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -16.633 11.298 -4.799 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -17.731 11.425 -2.547 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -17.118 12.583 -5.478 1.00 0.00 C ATOM 0 H ILE A 94 -17.675 9.036 -5.733 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.523 9.064 -3.125 1.00 0.00 H new ATOM 0 HB ILE A 94 -18.680 10.746 -4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -15.745 11.517 -4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -16.338 10.577 -5.562 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -17.902 12.485 -2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -18.530 11.034 -1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -16.774 11.295 -2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -16.323 12.985 -6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -17.990 12.362 -6.094 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -17.387 13.317 -4.718 1.00 0.00 H new ATOM 1385 N GLY A 95 -18.315 8.340 -1.497 1.00 0.00 N ATOM 1386 CA GLY A 95 -19.299 7.833 -0.548 1.00 0.00 C ATOM 1387 C GLY A 95 -19.374 6.307 -0.497 1.00 0.00 C ATOM 1388 O GLY A 95 -19.991 5.767 0.426 1.00 0.00 O ATOM 0 H GLY A 95 -17.413 8.556 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.059 8.210 0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -20.281 8.228 -0.810 1.00 0.00 H new ATOM 1392 N GLN A 96 -18.731 5.588 -1.419 1.00 0.00 N ATOM 1393 CA GLN A 96 -18.583 4.141 -1.308 1.00 0.00 C ATOM 1394 C GLN A 96 -17.374 3.838 -0.427 1.00 0.00 C ATOM 1395 O GLN A 96 -16.641 4.752 -0.046 1.00 0.00 O ATOM 1396 CB GLN A 96 -18.402 3.524 -2.699 1.00 0.00 C ATOM 1397 CG GLN A 96 -19.537 3.845 -3.680 1.00 0.00 C ATOM 1398 CD GLN A 96 -20.901 3.269 -3.316 1.00 0.00 C ATOM 1399 OE1 GLN A 96 -21.427 3.458 -2.220 1.00 0.00 O ATOM 1400 NE2 GLN A 96 -21.506 2.571 -4.256 1.00 0.00 N ATOM 0 H GLN A 96 -18.304 5.989 -2.254 1.00 0.00 H new ATOM 0 HA GLN A 96 -19.477 3.709 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -17.461 3.876 -3.121 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -18.320 2.442 -2.597 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -19.629 4.928 -3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -19.257 3.475 -4.666 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -21.051 2.427 -5.157 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -22.430 2.175 -4.082 1.00 0.00 H new ATOM 1409 N SER A 97 -17.162 2.569 -0.083 1.00 0.00 N ATOM 1410 CA SER A 97 -16.078 2.127 0.767 1.00 0.00 C ATOM 1411 C SER A 97 -15.392 0.897 0.168 1.00 0.00 C ATOM 1412 O SER A 97 -16.026 0.148 -0.587 1.00 0.00 O ATOM 1413 CB SER A 97 -16.615 1.873 2.176 1.00 0.00 C ATOM 1414 OG SER A 97 -17.945 1.382 2.168 1.00 0.00 O ATOM 0 H SER A 97 -17.760 1.806 -0.401 1.00 0.00 H new ATOM 0 HA SER A 97 -15.316 2.903 0.834 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.969 1.157 2.684 1.00 0.00 H new ATOM 0 HB3 SER A 97 -16.576 2.799 2.749 1.00 0.00 H new ATOM 0 HG SER A 97 -18.244 1.233 3.089 1.00 0.00 H new ATOM 1420 N VAL A 98 -14.130 0.660 0.529 1.00 0.00 N ATOM 1421 CA VAL A 98 -13.388 -0.541 0.164 1.00 0.00 C ATOM 1422 C VAL A 98 -12.563 -0.997 1.368 1.00 0.00 C ATOM 1423 O VAL A 98 -12.053 -0.160 2.119 1.00 0.00 O ATOM 1424 CB VAL A 98 -12.522 -0.306 -1.095 1.00 0.00 C ATOM 1425 CG1 VAL A 98 -13.371 0.120 -2.298 1.00 0.00 C ATOM 1426 CG2 VAL A 98 -11.447 0.772 -0.913 1.00 0.00 C ATOM 0 H VAL A 98 -13.587 1.312 1.095 1.00 0.00 H new ATOM 0 HA VAL A 98 -14.083 -1.338 -0.099 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.042 -1.269 -1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.725 0.275 -3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -14.099 -0.659 -2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.894 1.048 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.880 0.880 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.922 1.721 -0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.774 0.482 -0.107 1.00 0.00 H new ATOM 1436 N ASN A 99 -12.468 -2.314 1.547 1.00 0.00 N ATOM 1437 CA ASN A 99 -11.713 -2.994 2.599 1.00 0.00 C ATOM 1438 C ASN A 99 -10.276 -3.098 2.125 1.00 0.00 C ATOM 1439 O ASN A 99 -10.040 -3.330 0.940 1.00 0.00 O ATOM 1440 CB ASN A 99 -12.230 -4.428 2.800 1.00 0.00 C ATOM 1441 CG ASN A 99 -13.683 -4.526 3.238 1.00 0.00 C ATOM 1442 OD1 ASN A 99 -14.570 -3.860 2.709 1.00 0.00 O ATOM 1443 ND2 ASN A 99 -13.988 -5.390 4.184 1.00 0.00 N ATOM 0 H ASN A 99 -12.942 -2.971 0.928 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.811 -2.439 3.532 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.109 -4.977 1.866 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.606 -4.923 3.544 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.959 -5.505 4.476 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.254 -5.944 4.625 1.00 0.00 H new ATOM 1450 N LEU A 100 -9.300 -2.969 3.011 1.00 0.00 N ATOM 1451 CA LEU A 100 -7.901 -2.834 2.640 1.00 0.00 C ATOM 1452 C LEU A 100 -7.080 -3.560 3.699 1.00 0.00 C ATOM 1453 O LEU A 100 -7.031 -3.089 4.835 1.00 0.00 O ATOM 1454 CB LEU A 100 -7.540 -1.334 2.583 1.00 0.00 C ATOM 1455 CG LEU A 100 -8.293 -0.483 1.537 1.00 0.00 C ATOM 1456 CD1 LEU A 100 -8.192 1.001 1.891 1.00 0.00 C ATOM 1457 CD2 LEU A 100 -7.761 -0.712 0.122 1.00 0.00 C ATOM 0 H LEU A 100 -9.460 -2.955 4.018 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.697 -3.266 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.720 -0.902 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.471 -1.248 2.388 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.337 -0.795 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.727 1.590 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.633 1.172 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.144 1.301 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.319 -0.094 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.705 -0.444 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.879 -1.762 -0.145 1.00 0.00 H new ATOM 1469 N VAL A 101 -6.448 -4.688 3.362 1.00 0.00 N ATOM 1470 CA VAL A 101 -5.552 -5.404 4.276 1.00 0.00 C ATOM 1471 C VAL A 101 -4.154 -4.835 4.075 1.00 0.00 C ATOM 1472 O VAL A 101 -3.704 -4.727 2.924 1.00 0.00 O ATOM 1473 CB VAL A 101 -5.535 -6.919 3.988 1.00 0.00 C ATOM 1474 CG1 VAL A 101 -4.731 -7.725 5.020 1.00 0.00 C ATOM 1475 CG2 VAL A 101 -6.959 -7.509 3.954 1.00 0.00 C ATOM 0 H VAL A 101 -6.543 -5.131 2.448 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.898 -5.273 5.301 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.055 -7.007 3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.760 -8.783 4.758 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.697 -7.381 5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.165 -7.584 6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.905 -8.578 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.442 -7.349 4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.538 -7.018 3.172 1.00 0.00 H new ATOM 1485 N LEU A 102 -3.471 -4.505 5.172 1.00 0.00 N ATOM 1486 CA LEU A 102 -2.063 -4.137 5.174 1.00 0.00 C ATOM 1487 C LEU A 102 -1.272 -5.126 6.035 1.00 0.00 C ATOM 1488 O LEU A 102 -1.847 -5.832 6.866 1.00 0.00 O ATOM 1489 CB LEU A 102 -1.837 -2.694 5.670 1.00 0.00 C ATOM 1490 CG LEU A 102 -2.250 -1.528 4.745 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -1.563 -0.206 5.112 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -1.949 -1.723 3.267 1.00 0.00 C ATOM 0 H LEU A 102 -3.894 -4.487 6.100 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.708 -4.180 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.375 -2.578 6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.776 -2.582 5.893 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.328 -1.503 4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.891 0.577 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.827 0.070 6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.482 -0.324 5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.279 -0.846 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.876 -1.858 3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.476 -2.605 2.902 1.00 0.00 H new ATOM 1504 N CYS A 103 0.051 -5.147 5.864 1.00 0.00 N ATOM 1505 CA CYS A 103 0.991 -5.872 6.708 1.00 0.00 C ATOM 1506 C CYS A 103 2.077 -4.898 7.182 1.00 0.00 C ATOM 1507 O CYS A 103 2.598 -4.126 6.371 1.00 0.00 O ATOM 1508 CB CYS A 103 1.566 -7.065 5.932 1.00 0.00 C ATOM 1509 SG CYS A 103 2.615 -8.083 7.009 1.00 0.00 S ATOM 0 H CYS A 103 0.509 -4.641 5.106 1.00 0.00 H new ATOM 0 HA CYS A 103 0.494 -6.276 7.590 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.753 -7.670 5.530 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.147 -6.707 5.082 1.00 0.00 H new ATOM 0 HG CYS A 103 2.056 -9.242 7.190 1.00 0.00 H new ATOM 1515 N ARG A 104 2.396 -4.938 8.480 1.00 0.00 N ATOM 1516 CA ARG A 104 3.311 -4.038 9.182 1.00 0.00 C ATOM 1517 C ARG A 104 4.663 -4.674 9.432 1.00 0.00 C ATOM 1518 O ARG A 104 4.755 -5.889 9.616 1.00 0.00 O ATOM 1519 CB ARG A 104 2.696 -3.656 10.538 1.00 0.00 C ATOM 1520 CG ARG A 104 3.340 -2.406 11.171 1.00 0.00 C ATOM 1521 CD ARG A 104 2.311 -1.511 11.865 1.00 0.00 C ATOM 1522 NE ARG A 104 1.366 -0.973 10.880 1.00 0.00 N ATOM 1523 CZ ARG A 104 0.266 -0.262 11.122 1.00 0.00 C ATOM 1524 NH1 ARG A 104 -0.026 0.138 12.350 1.00 0.00 N ATOM 1525 NH2 ARG A 104 -0.542 0.040 10.122 1.00 0.00 N ATOM 0 H ARG A 104 1.998 -5.641 9.103 1.00 0.00 H new ATOM 0 HA ARG A 104 3.459 -3.162 8.550 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.628 -3.479 10.408 1.00 0.00 H new ATOM 0 HB3 ARG A 104 2.799 -4.496 11.225 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.095 -2.715 11.894 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.854 -1.834 10.398 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.773 -2.081 12.623 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.816 -0.694 12.380 1.00 0.00 H new ATOM 0 HE ARG A 104 1.575 -1.165 9.900 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.595 -0.098 13.124 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.872 0.682 12.522 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.321 -0.271 9.176 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.387 0.584 10.296 1.00 0.00 H new ATOM 1539 N GLY A 105 5.697 -3.848 9.585 1.00 0.00 N ATOM 1540 CA GLY A 105 7.019 -4.260 10.047 1.00 0.00 C ATOM 1541 C GLY A 105 8.000 -4.485 8.903 1.00 0.00 C ATOM 1542 O GLY A 105 9.197 -4.664 9.151 1.00 0.00 O ATOM 0 H GLY A 105 5.636 -2.850 9.386 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.418 -3.499 10.718 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.927 -5.179 10.626 1.00 0.00 H new ATOM 1546 N TYR A 106 7.519 -4.460 7.660 1.00 0.00 N ATOM 1547 CA TYR A 106 8.354 -4.320 6.479 1.00 0.00 C ATOM 1548 C TYR A 106 8.963 -2.912 6.443 1.00 0.00 C ATOM 1549 O TYR A 106 8.359 -1.984 6.992 1.00 0.00 O ATOM 1550 CB TYR A 106 7.504 -4.592 5.227 1.00 0.00 C ATOM 1551 CG TYR A 106 7.722 -5.994 4.708 1.00 0.00 C ATOM 1552 CD1 TYR A 106 6.982 -7.087 5.204 1.00 0.00 C ATOM 1553 CD2 TYR A 106 8.737 -6.204 3.762 1.00 0.00 C ATOM 1554 CE1 TYR A 106 7.279 -8.393 4.769 1.00 0.00 C ATOM 1555 CE2 TYR A 106 9.035 -7.497 3.320 1.00 0.00 C ATOM 1556 CZ TYR A 106 8.307 -8.598 3.815 1.00 0.00 C ATOM 1557 OH TYR A 106 8.578 -9.842 3.332 1.00 0.00 O ATOM 0 H TYR A 106 6.524 -4.538 7.448 1.00 0.00 H new ATOM 0 HA TYR A 106 9.171 -5.041 6.507 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.449 -4.449 5.463 1.00 0.00 H new ATOM 0 HB3 TYR A 106 7.757 -3.871 4.450 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.188 -6.923 5.917 1.00 0.00 H new ATOM 0 HD2 TYR A 106 9.291 -5.362 3.373 1.00 0.00 H new ATOM 0 HE1 TYR A 106 6.726 -9.234 5.160 1.00 0.00 H new ATOM 0 HE2 TYR A 106 9.824 -7.652 2.599 1.00 0.00 H new ATOM 0 HH TYR A 106 9.314 -9.789 2.687 1.00 0.00 H new ATOM 1567 N PRO A 107 10.148 -2.732 5.835 1.00 0.00 N ATOM 1568 CA PRO A 107 10.699 -1.414 5.575 1.00 0.00 C ATOM 1569 C PRO A 107 10.006 -0.723 4.407 1.00 0.00 C ATOM 1570 O PRO A 107 9.329 -1.346 3.583 1.00 0.00 O ATOM 1571 CB PRO A 107 12.174 -1.631 5.241 1.00 0.00 C ATOM 1572 CG PRO A 107 12.209 -3.055 4.687 1.00 0.00 C ATOM 1573 CD PRO A 107 11.097 -3.764 5.448 1.00 0.00 C ATOM 0 HA PRO A 107 10.558 -0.771 6.444 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.530 -0.907 4.509 1.00 0.00 H new ATOM 0 HB3 PRO A 107 12.805 -1.528 6.124 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.032 -3.071 3.612 1.00 0.00 H new ATOM 0 HG3 PRO A 107 13.176 -3.528 4.858 1.00 0.00 H new ATOM 0 HD2 PRO A 107 10.618 -4.519 4.824 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.492 -4.278 6.324 1.00 0.00 H new ATOM 1581 N LEU A 108 10.269 0.574 4.309 1.00 0.00 N ATOM 1582 CA LEU A 108 9.935 1.421 3.168 1.00 0.00 C ATOM 1583 C LEU A 108 10.732 0.987 1.926 1.00 0.00 C ATOM 1584 O LEU A 108 11.794 0.377 2.074 1.00 0.00 O ATOM 1585 CB LEU A 108 10.258 2.885 3.524 1.00 0.00 C ATOM 1586 CG LEU A 108 9.183 3.526 4.422 1.00 0.00 C ATOM 1587 CD1 LEU A 108 9.745 4.718 5.198 1.00 0.00 C ATOM 1588 CD2 LEU A 108 7.987 4.001 3.589 1.00 0.00 C ATOM 0 H LEU A 108 10.741 1.087 5.053 1.00 0.00 H new ATOM 0 HA LEU A 108 8.874 1.324 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.222 2.928 4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.354 3.466 2.607 1.00 0.00 H new ATOM 0 HG LEU A 108 8.859 2.760 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.962 5.148 5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.570 4.386 5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 108 10.105 5.471 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.242 4.450 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 108 8.321 4.740 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.546 3.151 3.067 1.00 0.00 H new ATOM 1600 N PRO A 109 10.255 1.306 0.709 1.00 0.00 N ATOM 1601 CA PRO A 109 10.977 1.007 -0.519 1.00 0.00 C ATOM 1602 C PRO A 109 12.006 2.100 -0.826 1.00 0.00 C ATOM 1603 O PRO A 109 13.146 1.788 -1.160 1.00 0.00 O ATOM 1604 CB PRO A 109 9.897 0.910 -1.595 1.00 0.00 C ATOM 1605 CG PRO A 109 8.794 1.847 -1.112 1.00 0.00 C ATOM 1606 CD PRO A 109 8.966 1.916 0.405 1.00 0.00 C ATOM 0 HA PRO A 109 11.551 0.083 -0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 109 10.279 1.215 -2.569 1.00 0.00 H new ATOM 0 HB3 PRO A 109 9.532 -0.112 -1.701 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.889 2.834 -1.565 1.00 0.00 H new ATOM 0 HG3 PRO A 109 7.808 1.467 -1.380 1.00 0.00 H new ATOM 0 HD2 PRO A 109 8.936 2.949 0.751 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.158 1.386 0.910 1.00 0.00 H new