USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=23 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 Set 1.1: A 22 SER OG : rot -76:sc= 1.22 USER MOD Set 1.2: A 99 ASN : amide:sc= 1.01 K(o=2.2,f=-4.5!) USER MOD Single : A 10 THR OG1 : rot 107:sc= 1.42 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.026) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -119:sc= 1.27 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+ -160:sc= 0.491 (180deg=0.274) USER MOD Single : A 28 SER OG : rot 180:sc=-0.00902 USER MOD Single : A 29 ASN : amide:sc= 0.0254 K(o=0.025,f=-2.5!) USER MOD Single : A 30 MET CE :methyl 171:sc= -0.0196 (180deg=-0.162) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 1.48 K(o=1.5,f=-0.088) USER MOD Single : A 49 LYS NZ :NH3+ 136:sc= 0.915 (180deg=-0.0821) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0575 USER MOD Single : A 59 GLN : amide:sc= 1.09 K(o=1.1,f=-0.044) USER MOD Single : A 62 LYS NZ :NH3+ -159:sc= 1.32 (180deg=1.05) USER MOD Single : A 63 MET CE :methyl -147:sc= -1.43 (180deg=-2.96!) 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 : amide:sc= -0.0642 K(o=-0.064,f=-0.61) USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.166 K(o=-0.17,f=-0.97) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.196 USER MOD Single : A 82 HIS : no HE2:sc= -0.346 K(o=-0.35,f=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 71:sc= 1.33 USER MOD Single : A 96 GLN : amide:sc= -0.104 K(o=-0.1,f=-3!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 99:sc= 0.168 USER MOD Single : A 106 TYR OH : rot 130:sc= -0.0323 USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 9 9.440 -14.079 -4.464 1.00 0.00 N ATOM 86 CA PHE A 9 8.070 -13.581 -4.510 1.00 0.00 C ATOM 87 C PHE A 9 7.215 -14.313 -3.470 1.00 0.00 C ATOM 88 O PHE A 9 7.569 -15.395 -2.992 1.00 0.00 O ATOM 89 CB PHE A 9 7.480 -13.728 -5.923 1.00 0.00 C ATOM 90 CG PHE A 9 6.065 -13.179 -6.064 1.00 0.00 C ATOM 91 CD1 PHE A 9 5.840 -11.801 -6.270 1.00 0.00 C ATOM 92 CD2 PHE A 9 4.957 -14.035 -5.894 1.00 0.00 C ATOM 93 CE1 PHE A 9 4.528 -11.280 -6.266 1.00 0.00 C ATOM 94 CE2 PHE A 9 3.658 -13.521 -5.977 1.00 0.00 C ATOM 95 CZ PHE A 9 3.442 -12.158 -6.117 1.00 0.00 C ATOM 0 HA PHE A 9 8.072 -12.518 -4.268 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.130 -13.215 -6.632 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.478 -14.783 -6.197 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.678 -11.140 -6.432 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.111 -15.086 -5.700 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.361 -10.219 -6.376 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.814 -14.193 -5.932 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.434 -11.770 -6.111 1.00 0.00 H new ATOM 105 N THR A 10 6.055 -13.737 -3.160 1.00 0.00 N ATOM 106 CA THR A 10 5.083 -14.303 -2.250 1.00 0.00 C ATOM 107 C THR A 10 4.134 -15.284 -2.954 1.00 0.00 C ATOM 108 O THR A 10 4.530 -16.429 -3.156 1.00 0.00 O ATOM 109 CB THR A 10 4.449 -13.144 -1.470 1.00 0.00 C ATOM 110 OG1 THR A 10 5.421 -12.453 -0.712 1.00 0.00 O ATOM 111 CG2 THR A 10 3.435 -13.629 -0.450 1.00 0.00 C ATOM 0 H THR A 10 5.765 -12.840 -3.550 1.00 0.00 H new ATOM 0 HA THR A 10 5.544 -14.954 -1.507 1.00 0.00 H new ATOM 0 HB THR A 10 3.982 -12.512 -2.225 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.610 -11.588 -1.133 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.012 -12.774 0.078 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.638 -14.171 -0.959 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.925 -14.290 0.264 1.00 0.00 H new ATOM 119 N ARG A 11 2.888 -14.867 -3.216 1.00 0.00 N ATOM 120 CA ARG A 11 1.665 -15.506 -3.730 1.00 0.00 C ATOM 121 C ARG A 11 0.533 -15.417 -2.704 1.00 0.00 C ATOM 122 O ARG A 11 -0.581 -15.008 -3.039 1.00 0.00 O ATOM 123 CB ARG A 11 1.861 -16.965 -4.159 1.00 0.00 C ATOM 124 CG ARG A 11 2.589 -17.065 -5.511 1.00 0.00 C ATOM 125 CD ARG A 11 3.628 -18.204 -5.579 1.00 0.00 C ATOM 126 NE ARG A 11 3.201 -19.313 -6.455 1.00 0.00 N ATOM 127 CZ ARG A 11 2.401 -20.338 -6.131 1.00 0.00 C ATOM 128 NH1 ARG A 11 1.966 -20.513 -4.884 1.00 0.00 N ATOM 129 NH2 ARG A 11 2.032 -21.217 -7.059 1.00 0.00 N ATOM 0 H ARG A 11 2.680 -13.885 -3.036 1.00 0.00 H new ATOM 0 HA ARG A 11 1.399 -14.948 -4.628 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.433 -17.495 -3.397 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.891 -17.457 -4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.851 -17.212 -6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.089 -16.118 -5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.576 -17.805 -5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.807 -18.588 -4.575 1.00 0.00 H new ATOM 0 HE ARG A 11 3.554 -19.297 -7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.241 -19.859 -4.151 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.358 -21.301 -4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.358 -21.112 -8.020 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.423 -21.996 -6.810 1.00 0.00 H new ATOM 143 N ASP A 12 0.788 -15.822 -1.457 1.00 0.00 N ATOM 144 CA ASP A 12 -0.277 -16.230 -0.527 1.00 0.00 C ATOM 145 C ASP A 12 -0.259 -15.495 0.826 1.00 0.00 C ATOM 146 O ASP A 12 -1.021 -15.823 1.735 1.00 0.00 O ATOM 147 CB ASP A 12 -0.198 -17.748 -0.364 1.00 0.00 C ATOM 148 CG ASP A 12 -1.512 -18.343 0.147 1.00 0.00 C ATOM 149 OD1 ASP A 12 -2.580 -18.001 -0.415 1.00 0.00 O ATOM 150 OD2 ASP A 12 -1.433 -19.209 1.045 1.00 0.00 O ATOM 0 H ASP A 12 1.727 -15.877 -1.063 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.235 -15.940 -0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.056 -18.202 -1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.605 -17.996 0.330 1.00 0.00 H new ATOM 155 N ALA A 13 0.617 -14.491 0.955 1.00 0.00 N ATOM 156 CA ALA A 13 0.784 -13.542 2.059 1.00 0.00 C ATOM 157 C ALA A 13 1.164 -14.157 3.417 1.00 0.00 C ATOM 158 O ALA A 13 1.372 -13.401 4.369 1.00 0.00 O ATOM 159 CB ALA A 13 -0.443 -12.625 2.168 1.00 0.00 C ATOM 0 H ALA A 13 1.293 -14.306 0.214 1.00 0.00 H new ATOM 0 HA ALA A 13 1.660 -12.950 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.303 -11.926 2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.566 -12.069 1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.333 -13.228 2.350 1.00 0.00 H new ATOM 165 N SER A 14 1.293 -15.482 3.540 1.00 0.00 N ATOM 166 CA SER A 14 1.554 -16.124 4.825 1.00 0.00 C ATOM 167 C SER A 14 3.050 -16.117 5.147 1.00 0.00 C ATOM 168 O SER A 14 3.459 -16.319 6.293 1.00 0.00 O ATOM 169 CB SER A 14 0.962 -17.536 4.810 1.00 0.00 C ATOM 170 OG SER A 14 0.796 -18.067 6.109 1.00 0.00 O ATOM 0 H SER A 14 1.220 -16.132 2.757 1.00 0.00 H new ATOM 0 HA SER A 14 1.070 -15.562 5.624 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.003 -17.517 4.303 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.612 -18.193 4.233 1.00 0.00 H new ATOM 0 HG SER A 14 0.414 -18.968 6.048 1.00 0.00 H new ATOM 176 N GLN A 15 3.900 -15.875 4.148 1.00 0.00 N ATOM 177 CA GLN A 15 5.306 -15.623 4.384 1.00 0.00 C ATOM 178 C GLN A 15 5.534 -14.298 5.121 1.00 0.00 C ATOM 179 O GLN A 15 6.538 -14.217 5.828 1.00 0.00 O ATOM 180 CB GLN A 15 6.074 -15.685 3.048 1.00 0.00 C ATOM 181 CG GLN A 15 6.804 -17.023 2.849 1.00 0.00 C ATOM 182 CD GLN A 15 8.313 -16.878 2.594 1.00 0.00 C ATOM 183 OE1 GLN A 15 8.912 -17.595 1.795 1.00 0.00 O ATOM 184 NE2 GLN A 15 8.990 -15.991 3.306 1.00 0.00 N ATOM 0 H GLN A 15 3.628 -15.850 3.165 1.00 0.00 H new ATOM 0 HA GLN A 15 5.695 -16.401 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.377 -15.529 2.225 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.798 -14.871 3.011 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.653 -17.643 3.733 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.353 -17.550 2.009 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.502 -15.392 3.971 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.000 -15.907 3.189 1.00 0.00 H new ATOM 193 N LEU A 16 4.659 -13.286 4.990 1.00 0.00 N ATOM 194 CA LEU A 16 5.033 -11.928 5.376 1.00 0.00 C ATOM 195 C LEU A 16 5.225 -11.901 6.881 1.00 0.00 C ATOM 196 O LEU A 16 4.421 -12.466 7.637 1.00 0.00 O ATOM 197 CB LEU A 16 4.057 -10.803 4.974 1.00 0.00 C ATOM 198 CG LEU A 16 3.674 -10.634 3.496 1.00 0.00 C ATOM 199 CD1 LEU A 16 2.830 -9.373 3.300 1.00 0.00 C ATOM 200 CD2 LEU A 16 4.882 -10.523 2.554 1.00 0.00 C ATOM 0 H LEU A 16 3.711 -13.385 4.628 1.00 0.00 H new ATOM 0 HA LEU A 16 5.944 -11.710 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.135 -10.952 5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.487 -9.860 5.311 1.00 0.00 H new ATOM 0 HG LEU A 16 3.118 -11.537 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.568 -9.270 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.919 -9.449 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.400 -8.500 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.534 -10.406 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.483 -9.658 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.487 -11.426 2.631 1.00 0.00 H new ATOM 212 N LYS A 17 6.273 -11.210 7.307 1.00 0.00 N ATOM 213 CA LYS A 17 6.613 -11.027 8.700 1.00 0.00 C ATOM 214 C LYS A 17 6.260 -9.591 9.028 1.00 0.00 C ATOM 215 O LYS A 17 6.634 -8.685 8.275 1.00 0.00 O ATOM 216 CB LYS A 17 8.087 -11.384 8.905 1.00 0.00 C ATOM 217 CG LYS A 17 8.254 -12.906 9.077 1.00 0.00 C ATOM 218 CD LYS A 17 7.974 -13.394 10.512 1.00 0.00 C ATOM 219 CE LYS A 17 9.145 -13.046 11.442 1.00 0.00 C ATOM 220 NZ LYS A 17 8.766 -12.998 12.868 1.00 0.00 N ATOM 0 H LYS A 17 6.925 -10.751 6.671 1.00 0.00 H new ATOM 0 HA LYS A 17 6.064 -11.679 9.380 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.672 -11.042 8.051 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.474 -10.868 9.784 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.581 -13.418 8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.269 -13.187 8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.058 -12.936 10.885 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.813 -14.472 10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.937 -13.783 11.309 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.557 -12.080 11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.600 -12.758 13.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.031 -12.276 13.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.400 -13.926 13.161 1.00 0.00 H new ATOM 234 N GLY A 18 5.457 -9.426 10.073 1.00 0.00 N ATOM 235 CA GLY A 18 4.766 -8.210 10.455 1.00 0.00 C ATOM 236 C GLY A 18 3.479 -8.596 11.174 1.00 0.00 C ATOM 237 O GLY A 18 3.257 -9.786 11.428 1.00 0.00 O ATOM 0 H GLY A 18 5.261 -10.193 10.716 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.397 -7.603 11.105 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.543 -7.608 9.574 1.00 0.00 H new ATOM 241 N THR A 19 2.630 -7.623 11.506 1.00 0.00 N ATOM 242 CA THR A 19 1.285 -7.904 12.001 1.00 0.00 C ATOM 243 C THR A 19 0.352 -7.829 10.789 1.00 0.00 C ATOM 244 O THR A 19 0.705 -7.191 9.795 1.00 0.00 O ATOM 245 CB THR A 19 0.912 -6.884 13.091 1.00 0.00 C ATOM 246 OG1 THR A 19 2.002 -6.668 13.970 1.00 0.00 O ATOM 247 CG2 THR A 19 -0.263 -7.346 13.953 1.00 0.00 C ATOM 0 H THR A 19 2.853 -6.630 11.440 1.00 0.00 H new ATOM 0 HA THR A 19 1.210 -8.889 12.461 1.00 0.00 H new ATOM 0 HB THR A 19 0.640 -5.973 12.558 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.746 -6.015 14.655 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.483 -6.588 14.705 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.139 -7.497 13.323 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.006 -8.283 14.447 1.00 0.00 H new ATOM 255 N PHE A 20 -0.839 -8.420 10.873 1.00 0.00 N ATOM 256 CA PHE A 20 -1.836 -8.394 9.817 1.00 0.00 C ATOM 257 C PHE A 20 -3.071 -7.703 10.347 1.00 0.00 C ATOM 258 O PHE A 20 -3.530 -7.938 11.469 1.00 0.00 O ATOM 259 CB PHE A 20 -2.144 -9.798 9.304 1.00 0.00 C ATOM 260 CG PHE A 20 -1.300 -10.135 8.101 1.00 0.00 C ATOM 261 CD1 PHE A 20 0.043 -10.517 8.260 1.00 0.00 C ATOM 262 CD2 PHE A 20 -1.853 -10.031 6.813 1.00 0.00 C ATOM 263 CE1 PHE A 20 0.822 -10.815 7.133 1.00 0.00 C ATOM 264 CE2 PHE A 20 -1.084 -10.364 5.691 1.00 0.00 C ATOM 265 CZ PHE A 20 0.257 -10.743 5.847 1.00 0.00 C ATOM 0 H PHE A 20 -1.139 -8.940 11.697 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.452 -7.839 8.961 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.962 -10.525 10.095 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.200 -9.869 9.043 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.474 -10.581 9.248 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.872 -9.694 6.689 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.857 -11.100 7.252 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.524 -10.329 4.705 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.856 -10.980 4.980 1.00 0.00 H new ATOM 275 N LEU A 21 -3.558 -6.761 9.562 1.00 0.00 N ATOM 276 CA LEU A 21 -4.592 -5.817 9.926 1.00 0.00 C ATOM 277 C LEU A 21 -5.278 -5.420 8.633 1.00 0.00 C ATOM 278 O LEU A 21 -4.769 -5.648 7.534 1.00 0.00 O ATOM 279 CB LEU A 21 -4.027 -4.583 10.670 1.00 0.00 C ATOM 280 CG LEU A 21 -2.602 -4.150 10.261 1.00 0.00 C ATOM 281 CD1 LEU A 21 -2.368 -2.665 10.483 1.00 0.00 C ATOM 282 CD2 LEU A 21 -1.499 -4.880 11.049 1.00 0.00 C ATOM 0 H LEU A 21 -3.225 -6.629 8.607 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.295 -6.272 10.624 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.703 -3.743 10.508 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.030 -4.793 11.740 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.542 -4.405 9.203 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.353 -2.408 10.181 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.080 -2.092 9.889 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.504 -2.429 11.538 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.522 -4.531 10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.614 -4.673 12.113 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.579 -5.953 10.878 1.00 0.00 H new ATOM 294 N SER A 22 -6.457 -4.844 8.773 1.00 0.00 N ATOM 295 CA SER A 22 -7.247 -4.330 7.676 1.00 0.00 C ATOM 296 C SER A 22 -7.951 -3.077 8.181 1.00 0.00 C ATOM 297 O SER A 22 -8.154 -2.936 9.394 1.00 0.00 O ATOM 298 CB SER A 22 -8.227 -5.423 7.211 1.00 0.00 C ATOM 299 OG SER A 22 -8.517 -5.344 5.829 1.00 0.00 O ATOM 0 H SER A 22 -6.903 -4.718 9.682 1.00 0.00 H new ATOM 0 HA SER A 22 -6.640 -4.063 6.810 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.805 -6.403 7.434 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.154 -5.339 7.778 1.00 0.00 H new ATOM 0 HG SER A 22 -9.139 -4.604 5.667 1.00 0.00 H new ATOM 305 N THR A 23 -8.328 -2.167 7.288 1.00 0.00 N ATOM 306 CA THR A 23 -9.326 -1.174 7.632 1.00 0.00 C ATOM 307 C THR A 23 -10.134 -0.801 6.397 1.00 0.00 C ATOM 308 O THR A 23 -9.668 -0.972 5.268 1.00 0.00 O ATOM 309 CB THR A 23 -8.726 0.032 8.376 1.00 0.00 C ATOM 310 OG1 THR A 23 -9.805 0.627 9.069 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.976 0.994 7.460 1.00 0.00 C ATOM 0 H THR A 23 -7.962 -2.100 6.338 1.00 0.00 H new ATOM 0 HA THR A 23 -10.021 -1.610 8.349 1.00 0.00 H new ATOM 0 HB THR A 23 -7.949 -0.282 9.073 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.926 1.548 8.757 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.579 1.821 8.048 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.155 0.467 6.973 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.658 1.382 6.703 1.00 0.00 H new ATOM 319 N THR A 24 -11.340 -0.287 6.616 1.00 0.00 N ATOM 320 CA THR A 24 -12.283 0.069 5.582 1.00 0.00 C ATOM 321 C THR A 24 -12.369 1.588 5.537 1.00 0.00 C ATOM 322 O THR A 24 -12.822 2.217 6.498 1.00 0.00 O ATOM 323 CB THR A 24 -13.623 -0.632 5.847 1.00 0.00 C ATOM 324 OG1 THR A 24 -13.468 -2.027 5.661 1.00 0.00 O ATOM 325 CG2 THR A 24 -14.740 -0.150 4.929 1.00 0.00 C ATOM 0 H THR A 24 -11.692 -0.103 7.555 1.00 0.00 H new ATOM 0 HA THR A 24 -11.966 -0.270 4.596 1.00 0.00 H new ATOM 0 HB THR A 24 -13.905 -0.392 6.872 1.00 0.00 H new ATOM 0 HG1 THR A 24 -14.322 -2.477 5.831 1.00 0.00 H new ATOM 0 HG21 THR A 24 -15.661 -0.683 5.166 1.00 0.00 H new ATOM 0 HG22 THR A 24 -14.893 0.920 5.072 1.00 0.00 H new ATOM 0 HG23 THR A 24 -14.466 -0.342 3.891 1.00 0.00 H new ATOM 333 N LEU A 25 -11.936 2.189 4.425 1.00 0.00 N ATOM 334 CA LEU A 25 -12.066 3.629 4.242 1.00 0.00 C ATOM 335 C LEU A 25 -13.295 3.898 3.394 1.00 0.00 C ATOM 336 O LEU A 25 -13.574 3.147 2.455 1.00 0.00 O ATOM 337 CB LEU A 25 -10.864 4.269 3.535 1.00 0.00 C ATOM 338 CG LEU A 25 -9.495 4.232 4.238 1.00 0.00 C ATOM 339 CD1 LEU A 25 -8.727 5.493 3.849 1.00 0.00 C ATOM 340 CD2 LEU A 25 -9.512 4.184 5.769 1.00 0.00 C ATOM 0 H LEU A 25 -11.496 1.701 3.645 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.136 4.067 5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.752 3.784 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.110 5.313 3.342 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.041 3.297 3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.752 5.490 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.593 5.518 2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.288 6.373 4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.489 4.161 6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.020 5.068 6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.039 3.289 6.099 1.00 0.00 H new ATOM 352 N LYS A 26 -13.998 4.993 3.676 1.00 0.00 N ATOM 353 CA LYS A 26 -14.997 5.558 2.789 1.00 0.00 C ATOM 354 C LYS A 26 -14.273 6.536 1.872 1.00 0.00 C ATOM 355 O LYS A 26 -13.382 7.265 2.310 1.00 0.00 O ATOM 356 CB LYS A 26 -16.084 6.266 3.604 1.00 0.00 C ATOM 357 CG LYS A 26 -17.411 6.338 2.830 1.00 0.00 C ATOM 358 CD LYS A 26 -18.329 7.405 3.431 1.00 0.00 C ATOM 359 CE LYS A 26 -17.980 8.770 2.833 1.00 0.00 C ATOM 360 NZ LYS A 26 -18.441 9.884 3.679 1.00 0.00 N ATOM 0 H LYS A 26 -13.883 5.517 4.544 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.490 4.783 2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -16.238 5.737 4.544 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.753 7.274 3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.215 6.567 1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -17.907 5.368 2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -19.371 7.161 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -18.215 7.430 4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.901 8.841 2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -18.430 8.857 1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -18.183 10.788 3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -19.474 9.834 3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -17.992 9.818 4.615 1.00 0.00 H new ATOM 374 N LYS A 27 -14.667 6.572 0.605 1.00 0.00 N ATOM 375 CA LYS A 27 -14.131 7.504 -0.369 1.00 0.00 C ATOM 376 C LYS A 27 -14.706 8.882 -0.023 1.00 0.00 C ATOM 377 O LYS A 27 -15.894 9.114 -0.285 1.00 0.00 O ATOM 378 CB LYS A 27 -14.522 6.985 -1.759 1.00 0.00 C ATOM 379 CG LYS A 27 -13.877 7.751 -2.922 1.00 0.00 C ATOM 380 CD LYS A 27 -12.610 7.083 -3.486 1.00 0.00 C ATOM 381 CE LYS A 27 -12.278 7.744 -4.833 1.00 0.00 C ATOM 382 NZ LYS A 27 -11.426 6.919 -5.717 1.00 0.00 N ATOM 0 H LYS A 27 -15.376 5.946 0.224 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.045 7.593 -0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.244 5.934 -1.833 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.606 7.036 -1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.608 7.856 -3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.626 8.757 -2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.778 7.198 -2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.771 6.013 -3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.209 7.972 -5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.777 8.694 -4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.971 7.527 -6.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.695 6.443 -5.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.011 6.205 -6.196 1.00 0.00 H new ATOM 396 N SER A 28 -13.938 9.760 0.631 1.00 0.00 N ATOM 397 CA SER A 28 -14.390 11.128 0.878 1.00 0.00 C ATOM 398 C SER A 28 -14.314 11.945 -0.422 1.00 0.00 C ATOM 399 O SER A 28 -13.978 11.416 -1.489 1.00 0.00 O ATOM 400 CB SER A 28 -13.631 11.749 2.064 1.00 0.00 C ATOM 401 OG SER A 28 -12.330 12.214 1.759 1.00 0.00 O ATOM 0 H SER A 28 -13.009 9.548 0.995 1.00 0.00 H new ATOM 0 HA SER A 28 -15.438 11.129 1.178 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.216 12.581 2.456 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.559 11.007 2.859 1.00 0.00 H new ATOM 0 HG SER A 28 -11.921 12.593 2.565 1.00 0.00 H new ATOM 407 N ASN A 29 -14.612 13.247 -0.343 1.00 0.00 N ATOM 408 CA ASN A 29 -14.651 14.178 -1.477 1.00 0.00 C ATOM 409 C ASN A 29 -13.373 14.132 -2.323 1.00 0.00 C ATOM 410 O ASN A 29 -13.432 14.359 -3.532 1.00 0.00 O ATOM 411 CB ASN A 29 -14.808 15.631 -0.993 1.00 0.00 C ATOM 412 CG ASN A 29 -16.113 15.953 -0.277 1.00 0.00 C ATOM 413 OD1 ASN A 29 -16.578 15.192 0.568 1.00 0.00 O ATOM 414 ND2 ASN A 29 -16.699 17.103 -0.540 1.00 0.00 N ATOM 0 H ASN A 29 -14.841 13.697 0.543 1.00 0.00 H new ATOM 0 HA ASN A 29 -15.504 13.864 -2.079 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -13.981 15.862 -0.322 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.715 16.293 -1.854 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.547 17.369 -0.040 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.304 17.727 -1.244 1.00 0.00 H new ATOM 421 N MET A 30 -12.229 13.853 -1.690 1.00 0.00 N ATOM 422 CA MET A 30 -10.895 13.855 -2.285 1.00 0.00 C ATOM 423 C MET A 30 -10.345 12.433 -2.453 1.00 0.00 C ATOM 424 O MET A 30 -9.155 12.259 -2.716 1.00 0.00 O ATOM 425 CB MET A 30 -9.974 14.749 -1.436 1.00 0.00 C ATOM 426 CG MET A 30 -9.896 16.149 -2.046 1.00 0.00 C ATOM 427 SD MET A 30 -9.164 17.429 -0.993 1.00 0.00 S ATOM 428 CE MET A 30 -7.666 16.590 -0.413 1.00 0.00 C ATOM 0 H MET A 30 -12.211 13.608 -0.700 1.00 0.00 H new ATOM 0 HA MET A 30 -10.947 14.267 -3.293 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.352 14.809 -0.415 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.977 14.311 -1.382 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.319 16.091 -2.969 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.904 16.462 -2.319 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.031 17.302 0.114 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.941 15.780 0.262 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.123 16.183 -1.266 1.00 0.00 H new ATOM 438 N GLY A 31 -11.181 11.402 -2.339 1.00 0.00 N ATOM 439 CA GLY A 31 -10.783 10.020 -2.508 1.00 0.00 C ATOM 440 C GLY A 31 -10.362 9.421 -1.176 1.00 0.00 C ATOM 441 O GLY A 31 -11.220 9.217 -0.322 1.00 0.00 O ATOM 0 H GLY A 31 -12.171 11.514 -2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.610 9.446 -2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.959 9.957 -3.219 1.00 0.00 H new ATOM 445 N PHE A 32 -9.073 9.131 -0.982 1.00 0.00 N ATOM 446 CA PHE A 32 -8.580 8.536 0.256 1.00 0.00 C ATOM 447 C PHE A 32 -7.495 9.419 0.868 1.00 0.00 C ATOM 448 O PHE A 32 -6.763 10.121 0.170 1.00 0.00 O ATOM 449 CB PHE A 32 -8.088 7.090 0.052 1.00 0.00 C ATOM 450 CG PHE A 32 -9.015 6.165 -0.716 1.00 0.00 C ATOM 451 CD1 PHE A 32 -10.075 5.529 -0.044 1.00 0.00 C ATOM 452 CD2 PHE A 32 -8.797 5.889 -2.084 1.00 0.00 C ATOM 453 CE1 PHE A 32 -10.869 4.597 -0.721 1.00 0.00 C ATOM 454 CE2 PHE A 32 -9.632 4.989 -2.770 1.00 0.00 C ATOM 455 CZ PHE A 32 -10.654 4.321 -2.079 1.00 0.00 C ATOM 0 H PHE A 32 -8.347 9.302 -1.677 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.414 8.479 0.955 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.131 7.125 -0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.902 6.651 1.032 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.275 5.760 0.992 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.984 6.372 -2.606 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.658 4.084 -0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.487 4.813 -3.826 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.272 3.598 -2.590 1.00 0.00 H new ATOM 465 N GLY A 33 -7.353 9.356 2.191 1.00 0.00 N ATOM 466 CA GLY A 33 -6.381 10.133 2.955 1.00 0.00 C ATOM 467 C GLY A 33 -5.006 9.476 3.010 1.00 0.00 C ATOM 468 O GLY A 33 -4.280 9.675 3.975 1.00 0.00 O ATOM 0 H GLY A 33 -7.926 8.747 2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.287 11.124 2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.752 10.272 3.970 1.00 0.00 H new ATOM 472 N PHE A 34 -4.648 8.651 2.035 1.00 0.00 N ATOM 473 CA PHE A 34 -3.339 8.025 1.927 1.00 0.00 C ATOM 474 C PHE A 34 -2.993 7.939 0.446 1.00 0.00 C ATOM 475 O PHE A 34 -3.823 8.253 -0.414 1.00 0.00 O ATOM 476 CB PHE A 34 -3.324 6.649 2.605 1.00 0.00 C ATOM 477 CG PHE A 34 -4.100 5.585 1.853 1.00 0.00 C ATOM 478 CD1 PHE A 34 -5.492 5.518 2.001 1.00 0.00 C ATOM 479 CD2 PHE A 34 -3.449 4.628 1.054 1.00 0.00 C ATOM 480 CE1 PHE A 34 -6.243 4.538 1.346 1.00 0.00 C ATOM 481 CE2 PHE A 34 -4.201 3.617 0.427 1.00 0.00 C ATOM 482 CZ PHE A 34 -5.598 3.564 0.565 1.00 0.00 C ATOM 0 H PHE A 34 -5.279 8.392 1.276 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.586 8.619 2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.291 6.321 2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.738 6.745 3.609 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.993 6.236 2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.378 4.669 0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.319 4.529 1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.697 2.871 -0.169 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.168 2.786 0.078 1.00 0.00 H new ATOM 492 N THR A 35 -1.773 7.521 0.137 1.00 0.00 N ATOM 493 CA THR A 35 -1.298 7.314 -1.221 1.00 0.00 C ATOM 494 C THR A 35 -0.540 5.996 -1.275 1.00 0.00 C ATOM 495 O THR A 35 -0.085 5.512 -0.241 1.00 0.00 O ATOM 496 CB THR A 35 -0.432 8.508 -1.654 1.00 0.00 C ATOM 497 OG1 THR A 35 0.377 8.998 -0.599 1.00 0.00 O ATOM 498 CG2 THR A 35 -1.292 9.667 -2.151 1.00 0.00 C ATOM 0 H THR A 35 -1.069 7.311 0.844 1.00 0.00 H new ATOM 0 HA THR A 35 -2.131 7.254 -1.921 1.00 0.00 H new ATOM 0 HB THR A 35 0.204 8.132 -2.456 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.911 9.755 -0.920 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.649 10.495 -2.449 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.884 9.340 -3.006 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.958 9.994 -1.353 1.00 0.00 H new ATOM 506 N ILE A 36 -0.384 5.419 -2.465 1.00 0.00 N ATOM 507 CA ILE A 36 0.274 4.139 -2.681 1.00 0.00 C ATOM 508 C ILE A 36 1.426 4.333 -3.676 1.00 0.00 C ATOM 509 O ILE A 36 1.477 5.355 -4.374 1.00 0.00 O ATOM 510 CB ILE A 36 -0.786 3.117 -3.151 1.00 0.00 C ATOM 511 CG1 ILE A 36 -2.079 3.154 -2.302 1.00 0.00 C ATOM 512 CG2 ILE A 36 -0.246 1.681 -3.088 1.00 0.00 C ATOM 513 CD1 ILE A 36 -3.185 4.096 -2.798 1.00 0.00 C ATOM 0 H ILE A 36 -0.723 5.844 -3.328 1.00 0.00 H new ATOM 0 HA ILE A 36 0.715 3.746 -1.765 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.018 3.404 -4.177 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.486 2.144 -2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.814 3.442 -1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.016 0.987 -3.425 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.629 1.593 -3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.033 1.442 -2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.041 4.038 -2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.809 5.119 -2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.491 3.801 -3.801 1.00 0.00 H new ATOM 525 N ILE A 37 2.352 3.378 -3.711 1.00 0.00 N ATOM 526 CA ILE A 37 3.451 3.246 -4.656 1.00 0.00 C ATOM 527 C ILE A 37 3.465 1.786 -5.146 1.00 0.00 C ATOM 528 O ILE A 37 2.950 0.893 -4.468 1.00 0.00 O ATOM 529 CB ILE A 37 4.758 3.697 -3.957 1.00 0.00 C ATOM 530 CG1 ILE A 37 5.984 3.739 -4.889 1.00 0.00 C ATOM 531 CG2 ILE A 37 5.045 2.880 -2.683 1.00 0.00 C ATOM 532 CD1 ILE A 37 7.109 4.635 -4.338 1.00 0.00 C ATOM 0 H ILE A 37 2.351 2.621 -3.027 1.00 0.00 H new ATOM 0 HA ILE A 37 3.341 3.882 -5.535 1.00 0.00 H new ATOM 0 HB ILE A 37 4.578 4.730 -3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.365 2.727 -5.030 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.679 4.104 -5.870 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.971 3.231 -2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.223 3.004 -1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.145 1.826 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.950 4.631 -5.031 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.739 5.654 -4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.435 4.255 -3.370 1.00 0.00 H new ATOM 544 N GLY A 38 4.044 1.567 -6.323 1.00 0.00 N ATOM 545 CA GLY A 38 4.366 0.282 -6.940 1.00 0.00 C ATOM 546 C GLY A 38 5.717 0.422 -7.618 1.00 0.00 C ATOM 547 O GLY A 38 6.111 1.543 -7.953 1.00 0.00 O ATOM 0 H GLY A 38 4.323 2.346 -6.919 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.395 -0.507 -6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.601 0.003 -7.665 1.00 0.00 H new ATOM 551 N GLY A 39 6.444 -0.686 -7.754 1.00 0.00 N ATOM 552 CA GLY A 39 7.737 -0.685 -8.414 1.00 0.00 C ATOM 553 C GLY A 39 7.611 -0.275 -9.874 1.00 0.00 C ATOM 554 O GLY A 39 8.003 0.836 -10.243 1.00 0.00 O ATOM 0 H GLY A 39 6.151 -1.601 -7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.411 -0.000 -7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.181 -1.678 -8.350 1.00 0.00 H new ATOM 558 N ASP A 40 7.106 -1.192 -10.696 1.00 0.00 N ATOM 559 CA ASP A 40 7.125 -1.086 -12.152 1.00 0.00 C ATOM 560 C ASP A 40 6.302 -2.208 -12.794 1.00 0.00 C ATOM 561 O ASP A 40 5.339 -1.958 -13.526 1.00 0.00 O ATOM 562 CB ASP A 40 8.577 -1.169 -12.663 1.00 0.00 C ATOM 563 CG ASP A 40 8.705 -0.863 -14.153 1.00 0.00 C ATOM 564 OD1 ASP A 40 7.787 -0.242 -14.737 1.00 0.00 O ATOM 565 OD2 ASP A 40 9.801 -1.098 -14.711 1.00 0.00 O ATOM 0 H ASP A 40 6.663 -2.047 -10.361 1.00 0.00 H new ATOM 0 HA ASP A 40 6.687 -0.127 -12.428 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.195 -0.469 -12.100 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.968 -2.168 -12.468 1.00 0.00 H new ATOM 570 N GLU A 41 6.688 -3.449 -12.524 1.00 0.00 N ATOM 571 CA GLU A 41 6.122 -4.672 -13.065 1.00 0.00 C ATOM 572 C GLU A 41 4.958 -5.145 -12.183 1.00 0.00 C ATOM 573 O GLU A 41 4.833 -4.733 -11.020 1.00 0.00 O ATOM 574 CB GLU A 41 7.242 -5.732 -13.132 1.00 0.00 C ATOM 575 CG GLU A 41 8.195 -5.498 -14.316 1.00 0.00 C ATOM 576 CD GLU A 41 7.682 -6.077 -15.639 1.00 0.00 C ATOM 577 OE1 GLU A 41 6.536 -5.795 -16.056 1.00 0.00 O ATOM 578 OE2 GLU A 41 8.450 -6.850 -16.267 1.00 0.00 O ATOM 0 H GLU A 41 7.455 -3.637 -11.879 1.00 0.00 H new ATOM 0 HA GLU A 41 5.726 -4.503 -14.066 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.810 -5.716 -12.202 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.797 -6.723 -13.217 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.356 -4.427 -14.436 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.163 -5.942 -14.086 1.00 0.00 H new ATOM 585 N PRO A 42 4.101 -6.048 -12.692 1.00 0.00 N ATOM 586 CA PRO A 42 3.025 -6.665 -11.930 1.00 0.00 C ATOM 587 C PRO A 42 3.568 -7.759 -11.001 1.00 0.00 C ATOM 588 O PRO A 42 3.053 -8.875 -10.977 1.00 0.00 O ATOM 589 CB PRO A 42 2.048 -7.177 -12.997 1.00 0.00 C ATOM 590 CG PRO A 42 2.976 -7.581 -14.136 1.00 0.00 C ATOM 591 CD PRO A 42 4.065 -6.515 -14.073 1.00 0.00 C ATOM 0 HA PRO A 42 2.520 -5.977 -11.252 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.460 -8.020 -12.636 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.343 -6.405 -13.304 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.381 -8.583 -13.993 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.462 -7.579 -15.097 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.030 -6.927 -14.370 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.845 -5.694 -14.756 1.00 0.00 H new ATOM 599 N ASP A 43 4.624 -7.470 -10.244 1.00 0.00 N ATOM 600 CA ASP A 43 5.132 -8.345 -9.197 1.00 0.00 C ATOM 601 C ASP A 43 5.900 -7.619 -8.087 1.00 0.00 C ATOM 602 O ASP A 43 6.148 -8.254 -7.059 1.00 0.00 O ATOM 603 CB ASP A 43 5.941 -9.520 -9.776 1.00 0.00 C ATOM 604 CG ASP A 43 7.375 -9.210 -10.203 1.00 0.00 C ATOM 605 OD1 ASP A 43 8.268 -9.194 -9.315 1.00 0.00 O ATOM 606 OD2 ASP A 43 7.621 -9.149 -11.429 1.00 0.00 O ATOM 0 H ASP A 43 5.158 -6.607 -10.345 1.00 0.00 H new ATOM 0 HA ASP A 43 4.245 -8.753 -8.712 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.970 -10.315 -9.031 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.404 -9.912 -10.640 1.00 0.00 H new ATOM 611 N GLU A 44 6.233 -6.326 -8.216 1.00 0.00 N ATOM 612 CA GLU A 44 6.750 -5.572 -7.073 1.00 0.00 C ATOM 613 C GLU A 44 5.656 -5.406 -6.025 1.00 0.00 C ATOM 614 O GLU A 44 4.486 -5.206 -6.359 1.00 0.00 O ATOM 615 CB GLU A 44 7.300 -4.185 -7.443 1.00 0.00 C ATOM 616 CG GLU A 44 8.738 -4.266 -7.964 1.00 0.00 C ATOM 617 CD GLU A 44 8.821 -4.524 -9.460 1.00 0.00 C ATOM 618 OE1 GLU A 44 8.098 -3.833 -10.195 1.00 0.00 O ATOM 619 OE2 GLU A 44 9.650 -5.370 -9.869 1.00 0.00 O ATOM 0 H GLU A 44 6.155 -5.793 -9.082 1.00 0.00 H new ATOM 0 HA GLU A 44 7.585 -6.153 -6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.663 -3.732 -8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.266 -3.535 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.254 -3.334 -7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.265 -5.061 -7.435 1.00 0.00 H new ATOM 626 N PHE A 45 6.064 -5.462 -4.758 1.00 0.00 N ATOM 627 CA PHE A 45 5.163 -5.362 -3.622 1.00 0.00 C ATOM 628 C PHE A 45 4.822 -3.882 -3.434 1.00 0.00 C ATOM 629 O PHE A 45 5.717 -3.031 -3.336 1.00 0.00 O ATOM 630 CB PHE A 45 5.789 -5.956 -2.348 1.00 0.00 C ATOM 631 CG PHE A 45 6.070 -7.459 -2.290 1.00 0.00 C ATOM 632 CD1 PHE A 45 6.190 -8.265 -3.444 1.00 0.00 C ATOM 633 CD2 PHE A 45 6.295 -8.047 -1.030 1.00 0.00 C ATOM 634 CE1 PHE A 45 6.624 -9.595 -3.343 1.00 0.00 C ATOM 635 CE2 PHE A 45 6.687 -9.394 -0.927 1.00 0.00 C ATOM 636 CZ PHE A 45 6.898 -10.158 -2.088 1.00 0.00 C ATOM 0 H PHE A 45 7.042 -5.580 -4.494 1.00 0.00 H new ATOM 0 HA PHE A 45 4.258 -5.939 -3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.732 -5.438 -2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.131 -5.712 -1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.946 -7.854 -4.412 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.165 -7.458 -0.134 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.748 -10.189 -4.237 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.826 -9.842 0.046 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.268 -11.170 -2.014 1.00 0.00 H new ATOM 646 N LEU A 46 3.529 -3.574 -3.411 1.00 0.00 N ATOM 647 CA LEU A 46 2.965 -2.234 -3.325 1.00 0.00 C ATOM 648 C LEU A 46 2.960 -1.801 -1.863 1.00 0.00 C ATOM 649 O LEU A 46 2.562 -2.583 -0.994 1.00 0.00 O ATOM 650 CB LEU A 46 1.515 -2.263 -3.829 1.00 0.00 C ATOM 651 CG LEU A 46 1.366 -2.682 -5.307 1.00 0.00 C ATOM 652 CD1 LEU A 46 0.185 -3.639 -5.430 1.00 0.00 C ATOM 653 CD2 LEU A 46 1.100 -1.482 -6.215 1.00 0.00 C ATOM 0 H LEU A 46 2.808 -4.294 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 46 3.556 -1.544 -3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.940 -2.951 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.077 -1.274 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 46 2.299 -3.152 -5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.069 -3.942 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.364 -4.520 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.724 -3.140 -5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.002 -1.821 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.179 -0.989 -5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.930 -0.779 -6.142 1.00 0.00 H new ATOM 665 N GLN A 47 3.310 -0.544 -1.580 1.00 0.00 N ATOM 666 CA GLN A 47 3.341 -0.023 -0.214 1.00 0.00 C ATOM 667 C GLN A 47 2.541 1.271 -0.105 1.00 0.00 C ATOM 668 O GLN A 47 2.390 2.005 -1.087 1.00 0.00 O ATOM 669 CB GLN A 47 4.787 0.165 0.271 1.00 0.00 C ATOM 670 CG GLN A 47 5.575 -1.154 0.209 1.00 0.00 C ATOM 671 CD GLN A 47 6.925 -1.108 0.918 1.00 0.00 C ATOM 672 OE1 GLN A 47 7.964 -1.370 0.323 1.00 0.00 O ATOM 673 NE2 GLN A 47 6.942 -0.809 2.204 1.00 0.00 N ATOM 0 H GLN A 47 3.579 0.138 -2.289 1.00 0.00 H new ATOM 0 HA GLN A 47 2.869 -0.757 0.439 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.284 0.917 -0.343 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.783 0.541 1.294 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.971 -1.946 0.652 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.734 -1.421 -0.836 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.071 -0.593 2.689 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.826 -0.794 2.713 1.00 0.00 H new ATOM 682 N VAL A 48 2.015 1.573 1.086 1.00 0.00 N ATOM 683 CA VAL A 48 1.428 2.873 1.370 1.00 0.00 C ATOM 684 C VAL A 48 2.559 3.905 1.311 1.00 0.00 C ATOM 685 O VAL A 48 3.465 3.903 2.147 1.00 0.00 O ATOM 686 CB VAL A 48 0.696 2.823 2.725 1.00 0.00 C ATOM 687 CG1 VAL A 48 0.347 4.205 3.286 1.00 0.00 C ATOM 688 CG2 VAL A 48 -0.611 2.037 2.549 1.00 0.00 C ATOM 0 H VAL A 48 1.987 0.923 1.872 1.00 0.00 H new ATOM 0 HA VAL A 48 0.672 3.159 0.638 1.00 0.00 H new ATOM 0 HB VAL A 48 1.376 2.347 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.166 4.091 4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.261 4.780 3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.303 4.729 2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.140 1.993 3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.237 2.534 1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.385 1.025 2.213 1.00 0.00 H new ATOM 698 N LYS A 49 2.515 4.768 0.293 1.00 0.00 N ATOM 699 CA LYS A 49 3.502 5.804 0.013 1.00 0.00 C ATOM 700 C LYS A 49 3.604 6.789 1.173 1.00 0.00 C ATOM 701 O LYS A 49 4.714 7.121 1.588 1.00 0.00 O ATOM 702 CB LYS A 49 3.132 6.519 -1.298 1.00 0.00 C ATOM 703 CG LYS A 49 4.242 7.459 -1.782 1.00 0.00 C ATOM 704 CD LYS A 49 3.817 8.371 -2.935 1.00 0.00 C ATOM 705 CE LYS A 49 3.749 7.641 -4.279 1.00 0.00 C ATOM 706 NZ LYS A 49 2.493 7.913 -5.001 1.00 0.00 N ATOM 0 H LYS A 49 1.755 4.760 -0.387 1.00 0.00 H new ATOM 0 HA LYS A 49 4.483 5.343 -0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.926 5.776 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.214 7.089 -1.152 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.574 8.075 -0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.098 6.863 -2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.841 8.800 -2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.520 9.201 -3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.594 7.944 -4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.845 6.568 -4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.701 8.095 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.862 7.090 -4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.028 8.746 -4.587 1.00 0.00 H new ATOM 720 N SER A 50 2.449 7.271 1.632 1.00 0.00 N ATOM 721 CA SER A 50 2.286 8.259 2.681 1.00 0.00 C ATOM 722 C SER A 50 0.849 8.148 3.191 1.00 0.00 C ATOM 723 O SER A 50 -0.061 7.891 2.387 1.00 0.00 O ATOM 724 CB SER A 50 2.453 9.673 2.104 1.00 0.00 C ATOM 725 OG SER A 50 3.517 9.804 1.182 1.00 0.00 O ATOM 0 H SER A 50 1.554 6.959 1.255 1.00 0.00 H new ATOM 0 HA SER A 50 3.023 8.088 3.466 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.524 9.964 1.613 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.612 10.371 2.926 1.00 0.00 H new ATOM 0 HG SER A 50 3.558 10.728 0.859 1.00 0.00 H new ATOM 731 N VAL A 51 0.620 8.467 4.462 1.00 0.00 N ATOM 732 CA VAL A 51 -0.696 8.757 5.026 1.00 0.00 C ATOM 733 C VAL A 51 -0.780 10.283 5.140 1.00 0.00 C ATOM 734 O VAL A 51 0.098 10.920 5.729 1.00 0.00 O ATOM 735 CB VAL A 51 -0.883 8.046 6.384 1.00 0.00 C ATOM 736 CG1 VAL A 51 -2.273 8.364 6.960 1.00 0.00 C ATOM 737 CG2 VAL A 51 -0.790 6.518 6.271 1.00 0.00 C ATOM 0 H VAL A 51 1.370 8.533 5.151 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.502 8.383 4.395 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.081 8.410 7.026 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.395 7.858 7.918 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.370 9.440 7.104 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.041 8.020 6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.929 6.071 7.255 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.565 6.155 5.595 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.190 6.241 5.882 1.00 0.00 H new ATOM 747 N ILE A 52 -1.768 10.906 4.501 1.00 0.00 N ATOM 748 CA ILE A 52 -1.973 12.342 4.537 1.00 0.00 C ATOM 749 C ILE A 52 -2.565 12.704 5.912 1.00 0.00 C ATOM 750 O ILE A 52 -3.578 12.113 6.295 1.00 0.00 O ATOM 751 CB ILE A 52 -2.889 12.741 3.364 1.00 0.00 C ATOM 752 CG1 ILE A 52 -2.164 12.737 2.003 1.00 0.00 C ATOM 753 CG2 ILE A 52 -3.465 14.145 3.577 1.00 0.00 C ATOM 754 CD1 ILE A 52 -1.611 11.406 1.486 1.00 0.00 C ATOM 0 H ILE A 52 -2.458 10.413 3.935 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.041 12.894 4.418 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.679 11.990 3.344 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.856 13.124 1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.335 13.442 2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.108 14.406 2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.046 14.164 4.499 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.650 14.866 3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.130 11.562 0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.882 11.015 2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.427 10.692 1.373 1.00 0.00 H new ATOM 766 N PRO A 53 -1.992 13.679 6.641 1.00 0.00 N ATOM 767 CA PRO A 53 -2.576 14.167 7.881 1.00 0.00 C ATOM 768 C PRO A 53 -3.923 14.829 7.608 1.00 0.00 C ATOM 769 O PRO A 53 -4.149 15.373 6.527 1.00 0.00 O ATOM 770 CB PRO A 53 -1.571 15.163 8.456 1.00 0.00 C ATOM 771 CG PRO A 53 -0.840 15.686 7.221 1.00 0.00 C ATOM 772 CD PRO A 53 -0.835 14.485 6.282 1.00 0.00 C ATOM 0 HA PRO A 53 -2.766 13.358 8.586 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.068 15.967 8.998 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.886 14.683 9.155 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.355 16.539 6.780 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.172 16.013 7.461 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.892 14.805 5.242 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.086 13.912 6.389 1.00 0.00 H new ATOM 780 N ASP A 54 -4.809 14.808 8.597 1.00 0.00 N ATOM 781 CA ASP A 54 -6.211 15.238 8.546 1.00 0.00 C ATOM 782 C ASP A 54 -7.071 14.401 7.585 1.00 0.00 C ATOM 783 O ASP A 54 -8.295 14.400 7.700 1.00 0.00 O ATOM 784 CB ASP A 54 -6.303 16.739 8.231 1.00 0.00 C ATOM 785 CG ASP A 54 -7.626 17.341 8.695 1.00 0.00 C ATOM 786 OD1 ASP A 54 -8.609 17.296 7.936 1.00 0.00 O ATOM 787 OD2 ASP A 54 -7.674 17.907 9.818 1.00 0.00 O ATOM 0 H ASP A 54 -4.553 14.467 9.524 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.630 15.064 9.537 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.478 17.262 8.714 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.192 16.891 7.157 1.00 0.00 H new ATOM 792 N GLY A 55 -6.478 13.612 6.682 1.00 0.00 N ATOM 793 CA GLY A 55 -7.194 12.793 5.714 1.00 0.00 C ATOM 794 C GLY A 55 -7.981 11.668 6.399 1.00 0.00 C ATOM 795 O GLY A 55 -7.656 11.275 7.520 1.00 0.00 O ATOM 0 H GLY A 55 -5.464 13.528 6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.878 13.420 5.141 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.486 12.363 5.005 1.00 0.00 H new ATOM 799 N PRO A 56 -8.977 11.063 5.723 1.00 0.00 N ATOM 800 CA PRO A 56 -9.861 10.077 6.346 1.00 0.00 C ATOM 801 C PRO A 56 -9.138 8.787 6.748 1.00 0.00 C ATOM 802 O PRO A 56 -9.635 8.059 7.602 1.00 0.00 O ATOM 803 CB PRO A 56 -10.983 9.811 5.337 1.00 0.00 C ATOM 804 CG PRO A 56 -10.387 10.229 3.996 1.00 0.00 C ATOM 805 CD PRO A 56 -9.405 11.343 4.363 1.00 0.00 C ATOM 0 HA PRO A 56 -10.254 10.467 7.285 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.275 8.761 5.333 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.876 10.389 5.573 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.882 9.396 3.506 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.156 10.584 3.310 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.555 11.355 3.681 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.881 12.321 4.297 1.00 0.00 H new ATOM 813 N ALA A 57 -7.979 8.511 6.143 1.00 0.00 N ATOM 814 CA ALA A 57 -7.098 7.425 6.558 1.00 0.00 C ATOM 815 C ALA A 57 -6.461 7.729 7.923 1.00 0.00 C ATOM 816 O ALA A 57 -6.550 6.900 8.825 1.00 0.00 O ATOM 817 CB ALA A 57 -6.040 7.167 5.480 1.00 0.00 C ATOM 0 H ALA A 57 -7.627 9.041 5.346 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.687 6.515 6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.387 6.355 5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.531 6.893 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.448 8.070 5.327 1.00 0.00 H new ATOM 823 N ALA A 58 -5.853 8.912 8.095 1.00 0.00 N ATOM 824 CA ALA A 58 -5.295 9.343 9.377 1.00 0.00 C ATOM 825 C ALA A 58 -6.393 9.376 10.445 1.00 0.00 C ATOM 826 O ALA A 58 -6.221 8.816 11.527 1.00 0.00 O ATOM 827 CB ALA A 58 -4.622 10.715 9.244 1.00 0.00 C ATOM 0 H ALA A 58 -5.736 9.595 7.346 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.534 8.626 9.684 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.214 11.015 10.209 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.816 10.656 8.512 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.357 11.450 8.916 1.00 0.00 H new ATOM 833 N GLN A 59 -7.557 9.942 10.126 1.00 0.00 N ATOM 834 CA GLN A 59 -8.730 9.973 10.996 1.00 0.00 C ATOM 835 C GLN A 59 -9.332 8.587 11.283 1.00 0.00 C ATOM 836 O GLN A 59 -10.313 8.516 12.024 1.00 0.00 O ATOM 837 CB GLN A 59 -9.793 10.955 10.475 1.00 0.00 C ATOM 838 CG GLN A 59 -9.365 12.417 10.659 1.00 0.00 C ATOM 839 CD GLN A 59 -10.544 13.360 10.432 1.00 0.00 C ATOM 840 OE1 GLN A 59 -11.572 13.268 11.106 1.00 0.00 O ATOM 841 NE2 GLN A 59 -10.430 14.301 9.516 1.00 0.00 N ATOM 0 H GLN A 59 -7.713 10.404 9.230 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.370 10.338 11.958 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.978 10.762 9.418 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.733 10.784 11.000 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.967 12.560 11.664 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.563 12.656 9.961 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.577 14.372 8.961 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.195 14.958 9.362 1.00 0.00 H new ATOM 850 N ASP A 60 -8.873 7.502 10.656 1.00 0.00 N ATOM 851 CA ASP A 60 -9.241 6.132 11.028 1.00 0.00 C ATOM 852 C ASP A 60 -8.240 5.548 12.031 1.00 0.00 C ATOM 853 O ASP A 60 -8.560 4.618 12.766 1.00 0.00 O ATOM 854 CB ASP A 60 -9.312 5.254 9.776 1.00 0.00 C ATOM 855 CG ASP A 60 -10.144 3.975 9.918 1.00 0.00 C ATOM 856 OD1 ASP A 60 -10.931 3.786 10.873 1.00 0.00 O ATOM 857 OD2 ASP A 60 -10.104 3.198 8.938 1.00 0.00 O ATOM 0 H ASP A 60 -8.228 7.549 9.867 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.221 6.155 11.505 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.724 5.847 8.960 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.298 4.978 9.488 1.00 0.00 H new ATOM 862 N GLY A 61 -7.028 6.107 12.121 1.00 0.00 N ATOM 863 CA GLY A 61 -6.044 5.805 13.160 1.00 0.00 C ATOM 864 C GLY A 61 -5.533 4.368 13.143 1.00 0.00 C ATOM 865 O GLY A 61 -5.308 3.787 14.210 1.00 0.00 O ATOM 0 H GLY A 61 -6.698 6.802 11.452 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.196 6.481 13.048 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.488 6.009 14.134 1.00 0.00 H new ATOM 869 N LYS A 62 -5.453 3.759 11.956 1.00 0.00 N ATOM 870 CA LYS A 62 -5.197 2.328 11.757 1.00 0.00 C ATOM 871 C LYS A 62 -4.188 2.059 10.648 1.00 0.00 C ATOM 872 O LYS A 62 -3.374 1.146 10.797 1.00 0.00 O ATOM 873 CB LYS A 62 -6.520 1.640 11.431 1.00 0.00 C ATOM 874 CG LYS A 62 -7.364 1.433 12.692 1.00 0.00 C ATOM 875 CD LYS A 62 -8.842 1.407 12.348 1.00 0.00 C ATOM 876 CE LYS A 62 -9.638 1.835 13.576 1.00 0.00 C ATOM 877 NZ LYS A 62 -10.980 2.303 13.218 1.00 0.00 N ATOM 0 H LYS A 62 -5.568 4.265 11.078 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.765 1.931 12.676 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.077 2.241 10.712 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.325 0.677 10.959 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.081 0.498 13.176 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.165 2.233 13.405 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.047 2.076 11.513 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.139 0.406 12.035 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.718 0.997 14.268 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.103 2.629 14.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.354 2.901 13.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.932 2.855 12.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.607 1.485 13.080 1.00 0.00 H new ATOM 891 N MET A 63 -4.263 2.815 9.551 1.00 0.00 N ATOM 892 CA MET A 63 -3.325 2.703 8.447 1.00 0.00 C ATOM 893 C MET A 63 -2.164 3.648 8.701 1.00 0.00 C ATOM 894 O MET A 63 -2.385 4.787 9.132 1.00 0.00 O ATOM 895 CB MET A 63 -4.052 3.076 7.162 1.00 0.00 C ATOM 896 CG MET A 63 -3.246 2.774 5.901 1.00 0.00 C ATOM 897 SD MET A 63 -3.887 3.542 4.393 1.00 0.00 S ATOM 898 CE MET A 63 -5.674 3.271 4.534 1.00 0.00 C ATOM 0 H MET A 63 -4.982 3.524 9.409 1.00 0.00 H new ATOM 0 HA MET A 63 -2.940 1.687 8.357 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.998 2.536 7.118 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.293 4.139 7.185 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.219 3.107 6.054 1.00 0.00 H new ATOM 0 HG3 MET A 63 -3.213 1.694 5.757 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.101 3.134 3.540 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.861 2.381 5.135 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.137 4.135 5.011 1.00 0.00 H new ATOM 908 N GLU A 64 -0.970 3.160 8.371 1.00 0.00 N ATOM 909 CA GLU A 64 0.283 3.890 8.507 1.00 0.00 C ATOM 910 C GLU A 64 1.162 3.686 7.284 1.00 0.00 C ATOM 911 O GLU A 64 0.900 2.828 6.439 1.00 0.00 O ATOM 912 CB GLU A 64 0.994 3.503 9.813 1.00 0.00 C ATOM 913 CG GLU A 64 0.418 4.314 10.977 1.00 0.00 C ATOM 914 CD GLU A 64 0.959 5.747 11.047 1.00 0.00 C ATOM 915 OE1 GLU A 64 1.505 6.274 10.049 1.00 0.00 O ATOM 916 OE2 GLU A 64 0.832 6.375 12.125 1.00 0.00 O ATOM 0 H GLU A 64 -0.847 2.221 7.992 1.00 0.00 H new ATOM 0 HA GLU A 64 0.066 4.957 8.565 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.869 2.437 10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.064 3.688 9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.668 4.347 10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.643 3.802 11.913 1.00 0.00 H new ATOM 923 N THR A 65 2.214 4.493 7.211 1.00 0.00 N ATOM 924 CA THR A 65 3.186 4.473 6.127 1.00 0.00 C ATOM 925 C THR A 65 4.161 3.300 6.353 1.00 0.00 C ATOM 926 O THR A 65 4.260 2.770 7.464 1.00 0.00 O ATOM 927 CB THR A 65 3.850 5.866 6.073 1.00 0.00 C ATOM 928 OG1 THR A 65 2.853 6.873 6.053 1.00 0.00 O ATOM 929 CG2 THR A 65 4.683 6.086 4.816 1.00 0.00 C ATOM 0 H THR A 65 2.419 5.196 7.921 1.00 0.00 H new ATOM 0 HA THR A 65 2.736 4.296 5.150 1.00 0.00 H new ATOM 0 HB THR A 65 4.492 5.918 6.952 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.279 7.755 6.020 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.122 7.083 4.840 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.477 5.341 4.771 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.046 5.991 3.936 1.00 0.00 H new ATOM 937 N GLY A 66 4.858 2.867 5.298 1.00 0.00 N ATOM 938 CA GLY A 66 5.730 1.696 5.302 1.00 0.00 C ATOM 939 C GLY A 66 4.964 0.392 5.080 1.00 0.00 C ATOM 940 O GLY A 66 5.561 -0.612 4.700 1.00 0.00 O ATOM 0 H GLY A 66 4.828 3.337 4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.485 1.807 4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.259 1.645 6.254 1.00 0.00 H new ATOM 944 N ASP A 67 3.646 0.373 5.298 1.00 0.00 N ATOM 945 CA ASP A 67 2.882 -0.870 5.243 1.00 0.00 C ATOM 946 C ASP A 67 2.768 -1.377 3.797 1.00 0.00 C ATOM 947 O ASP A 67 2.743 -0.587 2.850 1.00 0.00 O ATOM 948 CB ASP A 67 1.477 -0.651 5.793 1.00 0.00 C ATOM 949 CG ASP A 67 1.282 -0.868 7.292 1.00 0.00 C ATOM 950 OD1 ASP A 67 2.174 -0.544 8.105 1.00 0.00 O ATOM 951 OD2 ASP A 67 0.161 -1.285 7.675 1.00 0.00 O ATOM 0 H ASP A 67 3.091 1.201 5.513 1.00 0.00 H new ATOM 0 HA ASP A 67 3.408 -1.610 5.847 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.174 0.369 5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.797 -1.317 5.262 1.00 0.00 H new ATOM 956 N VAL A 68 2.616 -2.693 3.630 1.00 0.00 N ATOM 957 CA VAL A 68 2.509 -3.403 2.349 1.00 0.00 C ATOM 958 C VAL A 68 1.041 -3.752 2.114 1.00 0.00 C ATOM 959 O VAL A 68 0.411 -4.291 3.021 1.00 0.00 O ATOM 960 CB VAL A 68 3.395 -4.673 2.395 1.00 0.00 C ATOM 961 CG1 VAL A 68 3.081 -5.704 1.298 1.00 0.00 C ATOM 962 CG2 VAL A 68 4.878 -4.303 2.280 1.00 0.00 C ATOM 0 H VAL A 68 2.561 -3.328 4.427 1.00 0.00 H new ATOM 0 HA VAL A 68 2.858 -2.781 1.525 1.00 0.00 H new ATOM 0 HB VAL A 68 3.170 -5.133 3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.746 -6.561 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.047 -6.034 1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.227 -5.249 0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.483 -5.209 2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.052 -3.786 1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.155 -3.650 3.108 1.00 0.00 H new ATOM 972 N ILE A 69 0.502 -3.472 0.923 1.00 0.00 N ATOM 973 CA ILE A 69 -0.832 -3.850 0.484 1.00 0.00 C ATOM 974 C ILE A 69 -0.814 -5.330 0.117 1.00 0.00 C ATOM 975 O ILE A 69 -0.022 -5.777 -0.716 1.00 0.00 O ATOM 976 CB ILE A 69 -1.329 -2.973 -0.687 1.00 0.00 C ATOM 977 CG1 ILE A 69 -1.419 -1.476 -0.326 1.00 0.00 C ATOM 978 CG2 ILE A 69 -2.763 -3.393 -1.068 1.00 0.00 C ATOM 979 CD1 ILE A 69 -0.122 -0.676 -0.373 1.00 0.00 C ATOM 0 H ILE A 69 1.013 -2.951 0.211 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.540 -3.683 1.296 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.608 -3.114 -1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.132 -1.006 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.832 -1.394 0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.116 -2.775 -1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.767 -4.440 -1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.421 -3.261 -0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.323 0.360 -0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.595 -1.104 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.290 -0.711 -1.381 1.00 0.00 H new ATOM 991 N VAL A 70 -1.739 -6.066 0.718 1.00 0.00 N ATOM 992 CA VAL A 70 -1.980 -7.476 0.453 1.00 0.00 C ATOM 993 C VAL A 70 -3.235 -7.628 -0.419 1.00 0.00 C ATOM 994 O VAL A 70 -3.161 -8.153 -1.535 1.00 0.00 O ATOM 995 CB VAL A 70 -2.098 -8.238 1.791 1.00 0.00 C ATOM 996 CG1 VAL A 70 -1.939 -9.725 1.536 1.00 0.00 C ATOM 997 CG2 VAL A 70 -1.098 -7.809 2.873 1.00 0.00 C ATOM 0 H VAL A 70 -2.363 -5.683 1.428 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.145 -7.908 -0.098 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.086 -7.992 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.022 -10.267 2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.719 -10.063 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.962 -9.916 1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.260 -8.401 3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.082 -7.968 2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.241 -6.753 3.102 1.00 0.00 H new ATOM 1007 N TYR A 71 -4.384 -7.158 0.080 1.00 0.00 N ATOM 1008 CA TYR A 71 -5.682 -7.304 -0.565 1.00 0.00 C ATOM 1009 C TYR A 71 -6.412 -5.963 -0.518 1.00 0.00 C ATOM 1010 O TYR A 71 -6.208 -5.171 0.405 1.00 0.00 O ATOM 1011 CB TYR A 71 -6.536 -8.391 0.120 1.00 0.00 C ATOM 1012 CG TYR A 71 -5.889 -9.754 0.328 1.00 0.00 C ATOM 1013 CD1 TYR A 71 -5.973 -10.736 -0.675 1.00 0.00 C ATOM 1014 CD2 TYR A 71 -5.242 -10.070 1.538 1.00 0.00 C ATOM 1015 CE1 TYR A 71 -5.339 -11.981 -0.505 1.00 0.00 C ATOM 1016 CE2 TYR A 71 -4.691 -11.342 1.757 1.00 0.00 C ATOM 1017 CZ TYR A 71 -4.694 -12.286 0.713 1.00 0.00 C ATOM 1018 OH TYR A 71 -4.071 -13.480 0.890 1.00 0.00 O ATOM 0 H TYR A 71 -4.432 -6.654 0.966 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.524 -7.612 -1.599 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.848 -8.013 1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.441 -8.533 -0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.527 -10.534 -1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.168 -9.320 2.312 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.346 -12.704 -1.307 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.268 -11.594 2.718 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.681 -13.516 1.788 1.00 0.00 H new ATOM 1028 N ILE A 72 -7.303 -5.733 -1.480 1.00 0.00 N ATOM 1029 CA ILE A 72 -8.158 -4.562 -1.595 1.00 0.00 C ATOM 1030 C ILE A 72 -9.584 -5.088 -1.719 1.00 0.00 C ATOM 1031 O ILE A 72 -9.970 -5.638 -2.757 1.00 0.00 O ATOM 1032 CB ILE A 72 -7.734 -3.657 -2.777 1.00 0.00 C ATOM 1033 CG1 ILE A 72 -6.299 -3.132 -2.543 1.00 0.00 C ATOM 1034 CG2 ILE A 72 -8.723 -2.485 -2.952 1.00 0.00 C ATOM 1035 CD1 ILE A 72 -5.793 -2.158 -3.612 1.00 0.00 C ATOM 0 H ILE A 72 -7.453 -6.397 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.074 -3.917 -0.721 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.750 -4.246 -3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.261 -2.637 -1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.619 -3.982 -2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.405 -1.862 -3.788 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.720 -2.877 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.743 -1.887 -2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.779 -1.842 -3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.794 -2.652 -4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.446 -1.286 -3.648 1.00 0.00 H new ATOM 1047 N ASN A 73 -10.357 -4.891 -0.651 1.00 0.00 N ATOM 1048 CA ASN A 73 -11.764 -5.235 -0.463 1.00 0.00 C ATOM 1049 C ASN A 73 -11.930 -6.743 -0.307 1.00 0.00 C ATOM 1050 O ASN A 73 -12.333 -7.226 0.748 1.00 0.00 O ATOM 1051 CB ASN A 73 -12.624 -4.649 -1.595 1.00 0.00 C ATOM 1052 CG ASN A 73 -14.049 -4.358 -1.166 1.00 0.00 C ATOM 1053 OD1 ASN A 73 -14.680 -5.128 -0.455 1.00 0.00 O ATOM 1054 ND2 ASN A 73 -14.588 -3.224 -1.563 1.00 0.00 N ATOM 0 H ASN A 73 -9.976 -4.444 0.183 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.122 -4.783 0.462 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.164 -3.729 -1.955 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -12.638 -5.347 -2.432 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -15.537 -2.983 -1.278 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.056 -2.587 -2.156 1.00 0.00 H new ATOM 1061 N GLU A 74 -11.554 -7.475 -1.347 1.00 0.00 N ATOM 1062 CA GLU A 74 -11.565 -8.926 -1.442 1.00 0.00 C ATOM 1063 C GLU A 74 -10.436 -9.413 -2.364 1.00 0.00 C ATOM 1064 O GLU A 74 -9.958 -10.535 -2.224 1.00 0.00 O ATOM 1065 CB GLU A 74 -12.940 -9.329 -1.994 1.00 0.00 C ATOM 1066 CG GLU A 74 -13.193 -10.839 -1.966 1.00 0.00 C ATOM 1067 CD GLU A 74 -14.551 -11.178 -2.575 1.00 0.00 C ATOM 1068 OE1 GLU A 74 -14.795 -10.802 -3.742 1.00 0.00 O ATOM 1069 OE2 GLU A 74 -15.397 -11.835 -1.924 1.00 0.00 O ATOM 0 H GLU A 74 -11.210 -7.040 -2.203 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.398 -9.383 -0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.716 -8.828 -1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.029 -8.973 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.405 -11.353 -2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.151 -11.199 -0.938 1.00 0.00 H new ATOM 1076 N VAL A 75 -9.989 -8.578 -3.302 1.00 0.00 N ATOM 1077 CA VAL A 75 -9.108 -8.944 -4.402 1.00 0.00 C ATOM 1078 C VAL A 75 -7.666 -8.961 -3.899 1.00 0.00 C ATOM 1079 O VAL A 75 -7.229 -7.999 -3.260 1.00 0.00 O ATOM 1080 CB VAL A 75 -9.345 -7.922 -5.537 1.00 0.00 C ATOM 1081 CG1 VAL A 75 -8.314 -7.991 -6.668 1.00 0.00 C ATOM 1082 CG2 VAL A 75 -10.746 -8.122 -6.140 1.00 0.00 C ATOM 0 H VAL A 75 -10.243 -7.590 -3.313 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.314 -9.942 -4.790 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.246 -6.941 -5.073 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.552 -7.242 -7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.319 -7.798 -6.266 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.336 -8.982 -7.120 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.905 -7.398 -6.939 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.828 -9.131 -6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.499 -7.979 -5.365 1.00 0.00 H new ATOM 1092 N CYS A 76 -6.930 -10.034 -4.195 1.00 0.00 N ATOM 1093 CA CYS A 76 -5.482 -10.086 -4.064 1.00 0.00 C ATOM 1094 C CYS A 76 -4.863 -9.102 -5.051 1.00 0.00 C ATOM 1095 O CYS A 76 -5.219 -9.096 -6.226 1.00 0.00 O ATOM 1096 CB CYS A 76 -5.019 -11.522 -4.329 1.00 0.00 C ATOM 1097 SG CYS A 76 -3.230 -11.674 -4.098 1.00 0.00 S ATOM 0 H CYS A 76 -7.336 -10.904 -4.538 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.165 -9.803 -3.060 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -5.536 -12.206 -3.656 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.285 -11.813 -5.345 1.00 0.00 H new ATOM 0 HG CYS A 76 -2.866 -12.901 -4.327 1.00 0.00 H new ATOM 1103 N VAL A 77 -3.928 -8.283 -4.577 1.00 0.00 N ATOM 1104 CA VAL A 77 -3.211 -7.318 -5.405 1.00 0.00 C ATOM 1105 C VAL A 77 -1.708 -7.364 -5.131 1.00 0.00 C ATOM 1106 O VAL A 77 -0.979 -6.527 -5.647 1.00 0.00 O ATOM 1107 CB VAL A 77 -3.782 -5.904 -5.194 1.00 0.00 C ATOM 1108 CG1 VAL A 77 -5.280 -5.800 -5.516 1.00 0.00 C ATOM 1109 CG2 VAL A 77 -3.558 -5.370 -3.774 1.00 0.00 C ATOM 0 H VAL A 77 -3.644 -8.271 -3.597 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.355 -7.587 -6.451 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.223 -5.291 -5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.619 -4.778 -5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.448 -6.069 -6.559 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.839 -6.479 -4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.983 -4.370 -3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.042 -6.032 -3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.489 -5.328 -3.565 1.00 0.00 H new ATOM 1119 N LEU A 78 -1.229 -8.299 -4.306 1.00 0.00 N ATOM 1120 CA LEU A 78 0.091 -8.264 -3.700 1.00 0.00 C ATOM 1121 C LEU A 78 1.203 -8.296 -4.760 1.00 0.00 C ATOM 1122 O LEU A 78 2.295 -7.818 -4.473 1.00 0.00 O ATOM 1123 CB LEU A 78 0.136 -9.402 -2.653 1.00 0.00 C ATOM 1124 CG LEU A 78 1.345 -10.349 -2.696 1.00 0.00 C ATOM 1125 CD1 LEU A 78 2.535 -9.766 -1.924 1.00 0.00 C ATOM 1126 CD2 LEU A 78 1.003 -11.723 -2.109 1.00 0.00 C ATOM 0 H LEU A 78 -1.769 -9.122 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 78 0.279 -7.324 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.096 -8.951 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.767 -10.002 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 78 1.614 -10.464 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.375 -10.459 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.825 -8.813 -2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.252 -9.611 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.881 -12.367 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.692 -11.608 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.193 -12.172 -2.683 1.00 0.00 H new ATOM 1138 N GLY A 79 0.931 -8.827 -5.954 1.00 0.00 N ATOM 1139 CA GLY A 79 1.756 -8.694 -7.140 1.00 0.00 C ATOM 1140 C GLY A 79 0.836 -8.398 -8.317 1.00 0.00 C ATOM 1141 O GLY A 79 0.804 -9.159 -9.286 1.00 0.00 O ATOM 0 H GLY A 79 0.092 -9.384 -6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.482 -7.891 -7.012 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.320 -9.610 -7.317 1.00 0.00 H new ATOM 1145 N HIS A 80 0.000 -7.371 -8.193 1.00 0.00 N ATOM 1146 CA HIS A 80 -0.570 -6.660 -9.326 1.00 0.00 C ATOM 1147 C HIS A 80 0.305 -5.429 -9.581 1.00 0.00 C ATOM 1148 O HIS A 80 1.021 -4.980 -8.686 1.00 0.00 O ATOM 1149 CB HIS A 80 -2.021 -6.265 -9.005 1.00 0.00 C ATOM 1150 CG HIS A 80 -3.070 -7.323 -9.259 1.00 0.00 C ATOM 1151 ND1 HIS A 80 -4.390 -7.235 -8.875 1.00 0.00 N ATOM 1152 CD2 HIS A 80 -2.928 -8.491 -9.961 1.00 0.00 C ATOM 1153 CE1 HIS A 80 -5.017 -8.350 -9.280 1.00 0.00 C ATOM 1154 NE2 HIS A 80 -4.156 -9.161 -9.916 1.00 0.00 N ATOM 0 H HIS A 80 -0.303 -7.007 -7.290 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.591 -7.282 -10.221 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.073 -5.975 -7.956 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.274 -5.383 -9.593 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.032 -8.832 -10.458 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.063 -8.564 -9.118 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.358 -10.087 -10.293 1.00 0.00 H new ATOM 1162 N THR A 81 0.261 -4.874 -10.792 1.00 0.00 N ATOM 1163 CA THR A 81 0.996 -3.648 -11.092 1.00 0.00 C ATOM 1164 C THR A 81 0.240 -2.473 -10.470 1.00 0.00 C ATOM 1165 O THR A 81 -0.988 -2.510 -10.304 1.00 0.00 O ATOM 1166 CB THR A 81 1.267 -3.490 -12.606 1.00 0.00 C ATOM 1167 OG1 THR A 81 1.701 -2.188 -12.949 1.00 0.00 O ATOM 1168 CG2 THR A 81 0.040 -3.795 -13.455 1.00 0.00 C ATOM 0 H THR A 81 -0.272 -5.251 -11.575 1.00 0.00 H new ATOM 0 HA THR A 81 1.991 -3.686 -10.648 1.00 0.00 H new ATOM 0 HB THR A 81 2.056 -4.213 -12.816 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.860 -2.140 -13.915 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.286 -3.668 -14.509 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.279 -4.822 -13.278 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.767 -3.113 -13.187 1.00 0.00 H new ATOM 1176 N HIS A 82 0.968 -1.383 -10.213 1.00 0.00 N ATOM 1177 CA HIS A 82 0.372 -0.107 -9.864 1.00 0.00 C ATOM 1178 C HIS A 82 -0.616 0.360 -10.932 1.00 0.00 C ATOM 1179 O HIS A 82 -1.568 1.043 -10.575 1.00 0.00 O ATOM 1180 CB HIS A 82 1.467 0.942 -9.604 1.00 0.00 C ATOM 1181 CG HIS A 82 1.123 1.956 -8.534 1.00 0.00 C ATOM 1182 ND1 HIS A 82 1.505 3.277 -8.526 1.00 0.00 N ATOM 1183 CD2 HIS A 82 0.405 1.735 -7.389 1.00 0.00 C ATOM 1184 CE1 HIS A 82 1.022 3.835 -7.403 1.00 0.00 C ATOM 1185 NE2 HIS A 82 0.328 2.940 -6.682 1.00 0.00 N ATOM 0 H HIS A 82 1.987 -1.369 -10.243 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.197 -0.236 -8.943 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.385 0.428 -9.318 1.00 0.00 H new ATOM 0 HB3 HIS A 82 1.675 1.471 -10.534 1.00 0.00 H new ATOM 0 HD1 HIS A 82 2.056 3.748 -9.243 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.027 0.793 -7.084 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.172 4.866 -7.118 1.00 0.00 H new ATOM 1193 N ALA A 83 -0.467 -0.035 -12.203 1.00 0.00 N ATOM 1194 CA ALA A 83 -1.452 0.309 -13.222 1.00 0.00 C ATOM 1195 C ALA A 83 -2.844 -0.215 -12.832 1.00 0.00 C ATOM 1196 O ALA A 83 -3.807 0.553 -12.794 1.00 0.00 O ATOM 1197 CB ALA A 83 -1.000 -0.206 -14.594 1.00 0.00 C ATOM 0 H ALA A 83 0.320 -0.588 -12.543 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.529 1.394 -13.291 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.745 0.058 -15.345 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.044 0.247 -14.856 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.890 -1.290 -14.558 1.00 0.00 H new ATOM 1203 N ASP A 84 -2.952 -1.509 -12.513 1.00 0.00 N ATOM 1204 CA ASP A 84 -4.222 -2.131 -12.128 1.00 0.00 C ATOM 1205 C ASP A 84 -4.657 -1.615 -10.757 1.00 0.00 C ATOM 1206 O ASP A 84 -5.821 -1.300 -10.547 1.00 0.00 O ATOM 1207 CB ASP A 84 -4.122 -3.670 -12.091 1.00 0.00 C ATOM 1208 CG ASP A 84 -5.512 -4.318 -12.177 1.00 0.00 C ATOM 1209 OD1 ASP A 84 -6.291 -3.980 -13.100 1.00 0.00 O ATOM 1210 OD2 ASP A 84 -5.812 -5.244 -11.388 1.00 0.00 O ATOM 0 H ASP A 84 -2.162 -2.154 -12.515 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.962 -1.861 -12.882 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.504 -4.017 -12.919 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.628 -3.983 -11.171 1.00 0.00 H new ATOM 1215 N VAL A 85 -3.746 -1.499 -9.794 1.00 0.00 N ATOM 1216 CA VAL A 85 -4.088 -1.097 -8.430 1.00 0.00 C ATOM 1217 C VAL A 85 -4.569 0.352 -8.376 1.00 0.00 C ATOM 1218 O VAL A 85 -5.565 0.651 -7.708 1.00 0.00 O ATOM 1219 CB VAL A 85 -2.942 -1.475 -7.472 1.00 0.00 C ATOM 1220 CG1 VAL A 85 -3.084 -0.873 -6.072 1.00 0.00 C ATOM 1221 CG2 VAL A 85 -2.983 -2.996 -7.336 1.00 0.00 C ATOM 0 H VAL A 85 -2.752 -1.680 -9.935 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.952 -1.656 -8.071 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.010 -1.089 -7.884 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.241 -1.183 -5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.100 0.215 -6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.012 -1.221 -5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.189 -3.323 -6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.948 -3.299 -6.931 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.841 -3.453 -8.315 1.00 0.00 H new ATOM 1231 N VAL A 86 -3.969 1.247 -9.153 1.00 0.00 N ATOM 1232 CA VAL A 86 -4.486 2.598 -9.284 1.00 0.00 C ATOM 1233 C VAL A 86 -5.879 2.548 -9.918 1.00 0.00 C ATOM 1234 O VAL A 86 -6.762 3.272 -9.448 1.00 0.00 O ATOM 1235 CB VAL A 86 -3.473 3.468 -10.048 1.00 0.00 C ATOM 1236 CG1 VAL A 86 -4.050 4.841 -10.417 1.00 0.00 C ATOM 1237 CG2 VAL A 86 -2.228 3.680 -9.168 1.00 0.00 C ATOM 0 H VAL A 86 -3.128 1.060 -9.698 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.610 3.070 -8.309 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.221 2.947 -10.972 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.298 5.419 -10.955 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.927 4.709 -11.050 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.335 5.372 -9.509 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.505 4.296 -9.703 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.517 4.180 -8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.779 2.715 -8.934 1.00 0.00 H new ATOM 1247 N LYS A 87 -6.127 1.694 -10.924 1.00 0.00 N ATOM 1248 CA LYS A 87 -7.471 1.581 -11.509 1.00 0.00 C ATOM 1249 C LYS A 87 -8.464 1.017 -10.498 1.00 0.00 C ATOM 1250 O LYS A 87 -9.636 1.392 -10.510 1.00 0.00 O ATOM 1251 CB LYS A 87 -7.446 0.803 -12.844 1.00 0.00 C ATOM 1252 CG LYS A 87 -7.951 -0.657 -12.853 1.00 0.00 C ATOM 1253 CD LYS A 87 -9.464 -0.814 -13.082 1.00 0.00 C ATOM 1254 CE LYS A 87 -9.751 -1.310 -14.502 1.00 0.00 C ATOM 1255 NZ LYS A 87 -9.729 -0.231 -15.506 1.00 0.00 N ATOM 0 H LYS A 87 -5.427 1.082 -11.343 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.822 2.583 -11.757 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.039 1.364 -13.566 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.419 0.801 -13.208 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.421 -1.205 -13.632 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.691 -1.123 -11.902 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.875 -1.516 -12.357 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.962 0.142 -12.918 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.013 -2.065 -14.773 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.727 -1.796 -14.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.930 -0.628 -16.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.451 0.479 -15.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.791 0.218 -15.513 1.00 0.00 H new ATOM 1269 N LEU A 88 -8.015 0.144 -9.601 1.00 0.00 N ATOM 1270 CA LEU A 88 -8.834 -0.438 -8.558 1.00 0.00 C ATOM 1271 C LEU A 88 -9.241 0.671 -7.594 1.00 0.00 C ATOM 1272 O LEU A 88 -10.425 0.788 -7.287 1.00 0.00 O ATOM 1273 CB LEU A 88 -8.073 -1.581 -7.864 1.00 0.00 C ATOM 1274 CG LEU A 88 -8.038 -2.885 -8.687 1.00 0.00 C ATOM 1275 CD1 LEU A 88 -6.912 -3.804 -8.200 1.00 0.00 C ATOM 1276 CD2 LEU A 88 -9.365 -3.633 -8.580 1.00 0.00 C ATOM 0 H LEU A 88 -7.049 -0.182 -9.584 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.740 -0.879 -8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.051 -1.258 -7.665 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.537 -1.782 -6.898 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.861 -2.610 -9.727 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.906 -4.718 -8.794 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.954 -3.295 -8.307 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.074 -4.054 -7.152 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.315 -4.549 -9.169 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.559 -3.883 -7.537 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -10.170 -3.002 -8.958 1.00 0.00 H new ATOM 1288 N PHE A 89 -8.312 1.524 -7.158 1.00 0.00 N ATOM 1289 CA PHE A 89 -8.643 2.656 -6.298 1.00 0.00 C ATOM 1290 C PHE A 89 -9.544 3.665 -7.027 1.00 0.00 C ATOM 1291 O PHE A 89 -10.503 4.176 -6.435 1.00 0.00 O ATOM 1292 CB PHE A 89 -7.361 3.302 -5.759 1.00 0.00 C ATOM 1293 CG PHE A 89 -6.653 2.501 -4.683 1.00 0.00 C ATOM 1294 CD1 PHE A 89 -7.293 2.314 -3.442 1.00 0.00 C ATOM 1295 CD2 PHE A 89 -5.357 1.985 -4.886 1.00 0.00 C ATOM 1296 CE1 PHE A 89 -6.642 1.649 -2.396 1.00 0.00 C ATOM 1297 CE2 PHE A 89 -4.714 1.308 -3.834 1.00 0.00 C ATOM 1298 CZ PHE A 89 -5.339 1.163 -2.584 1.00 0.00 C ATOM 0 H PHE A 89 -7.321 1.449 -7.389 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.215 2.293 -5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.672 3.458 -6.589 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.606 4.286 -5.359 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.296 2.687 -3.296 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.863 2.108 -5.839 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.141 1.511 -1.448 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.728 0.895 -3.989 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.818 0.679 -1.771 1.00 0.00 H new ATOM 1308 N GLN A 90 -9.295 3.937 -8.313 1.00 0.00 N ATOM 1309 CA GLN A 90 -10.154 4.803 -9.111 1.00 0.00 C ATOM 1310 C GLN A 90 -11.557 4.219 -9.259 1.00 0.00 C ATOM 1311 O GLN A 90 -12.515 4.992 -9.261 1.00 0.00 O ATOM 1312 CB GLN A 90 -9.563 5.059 -10.501 1.00 0.00 C ATOM 1313 CG GLN A 90 -8.394 6.050 -10.483 1.00 0.00 C ATOM 1314 CD GLN A 90 -8.213 6.679 -11.857 1.00 0.00 C ATOM 1315 OE1 GLN A 90 -8.999 7.538 -12.255 1.00 0.00 O ATOM 1316 NE2 GLN A 90 -7.203 6.286 -12.611 1.00 0.00 N ATOM 0 H GLN A 90 -8.495 3.562 -8.823 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.220 5.751 -8.576 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -9.224 4.114 -10.925 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.345 5.441 -11.157 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.579 6.827 -9.741 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.479 5.538 -10.187 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.559 5.573 -12.269 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.067 6.695 -13.535 1.00 0.00 H new ATOM 1325 N SER A 91 -11.697 2.889 -9.323 1.00 0.00 N ATOM 1326 CA SER A 91 -12.987 2.223 -9.444 1.00 0.00 C ATOM 1327 C SER A 91 -13.932 2.601 -8.305 1.00 0.00 C ATOM 1328 O SER A 91 -15.143 2.553 -8.505 1.00 0.00 O ATOM 1329 CB SER A 91 -12.833 0.701 -9.512 1.00 0.00 C ATOM 1330 OG SER A 91 -12.094 0.293 -10.653 1.00 0.00 O ATOM 0 H SER A 91 -10.907 2.245 -9.291 1.00 0.00 H new ATOM 0 HA SER A 91 -13.426 2.568 -10.380 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.334 0.346 -8.610 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.819 0.237 -9.534 1.00 0.00 H new ATOM 0 HG SER A 91 -11.155 0.549 -10.543 1.00 0.00 H new ATOM 1336 N VAL A 92 -13.426 3.048 -7.156 1.00 0.00 N ATOM 1337 CA VAL A 92 -14.228 3.356 -5.985 1.00 0.00 C ATOM 1338 C VAL A 92 -14.769 4.783 -6.143 1.00 0.00 C ATOM 1339 O VAL A 92 -13.967 5.718 -6.191 1.00 0.00 O ATOM 1340 CB VAL A 92 -13.357 3.238 -4.724 1.00 0.00 C ATOM 1341 CG1 VAL A 92 -14.243 3.301 -3.479 1.00 0.00 C ATOM 1342 CG2 VAL A 92 -12.532 1.946 -4.710 1.00 0.00 C ATOM 0 H VAL A 92 -12.428 3.207 -7.016 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.061 2.659 -5.888 1.00 0.00 H new ATOM 0 HB VAL A 92 -12.657 4.073 -4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.623 3.217 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -14.778 4.250 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.960 2.480 -3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.933 1.907 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.202 1.086 -4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.874 1.925 -5.579 1.00 0.00 H new ATOM 1352 N PRO A 93 -16.087 4.987 -6.284 1.00 0.00 N ATOM 1353 CA PRO A 93 -16.691 6.308 -6.341 1.00 0.00 C ATOM 1354 C PRO A 93 -16.922 6.892 -4.939 1.00 0.00 C ATOM 1355 O PRO A 93 -16.817 6.199 -3.921 1.00 0.00 O ATOM 1356 CB PRO A 93 -17.996 6.084 -7.093 1.00 0.00 C ATOM 1357 CG PRO A 93 -18.427 4.704 -6.621 1.00 0.00 C ATOM 1358 CD PRO A 93 -17.116 3.968 -6.375 1.00 0.00 C ATOM 0 HA PRO A 93 -16.051 7.038 -6.836 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -18.738 6.844 -6.850 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -17.851 6.115 -8.173 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.027 4.763 -5.713 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -19.033 4.198 -7.372 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.165 3.382 -5.457 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -16.903 3.272 -7.186 1.00 0.00 H new ATOM 1366 N ILE A 94 -17.217 8.191 -4.887 1.00 0.00 N ATOM 1367 CA ILE A 94 -17.289 9.000 -3.678 1.00 0.00 C ATOM 1368 C ILE A 94 -18.563 8.626 -2.920 1.00 0.00 C ATOM 1369 O ILE A 94 -19.659 9.089 -3.245 1.00 0.00 O ATOM 1370 CB ILE A 94 -17.164 10.502 -4.034 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -15.785 10.768 -4.688 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -17.331 11.370 -2.775 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -15.611 12.194 -5.219 1.00 0.00 C ATOM 0 H ILE A 94 -17.421 8.730 -5.729 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.454 8.798 -3.008 1.00 0.00 H new ATOM 0 HB ILE A 94 -17.953 10.765 -4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -15.003 10.566 -3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -15.643 10.066 -5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -17.240 12.422 -3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -18.313 11.191 -2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -16.558 11.113 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -14.620 12.299 -5.661 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -16.369 12.396 -5.976 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -15.719 12.903 -4.399 1.00 0.00 H new ATOM 1385 N GLY A 95 -18.426 7.777 -1.904 1.00 0.00 N ATOM 1386 CA GLY A 95 -19.503 7.347 -1.022 1.00 0.00 C ATOM 1387 C GLY A 95 -19.446 5.859 -0.710 1.00 0.00 C ATOM 1388 O GLY A 95 -20.043 5.434 0.282 1.00 0.00 O ATOM 0 H GLY A 95 -17.528 7.356 -1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.452 7.912 -0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -20.462 7.581 -1.485 1.00 0.00 H new ATOM 1392 N GLN A 96 -18.705 5.073 -1.494 1.00 0.00 N ATOM 1393 CA GLN A 96 -18.563 3.647 -1.212 1.00 0.00 C ATOM 1394 C GLN A 96 -17.444 3.482 -0.184 1.00 0.00 C ATOM 1395 O GLN A 96 -16.629 4.393 0.024 1.00 0.00 O ATOM 1396 CB GLN A 96 -18.240 2.867 -2.500 1.00 0.00 C ATOM 1397 CG GLN A 96 -19.296 3.000 -3.610 1.00 0.00 C ATOM 1398 CD GLN A 96 -20.582 2.213 -3.400 1.00 0.00 C ATOM 1399 OE1 GLN A 96 -21.094 2.087 -2.294 1.00 0.00 O ATOM 1400 NE2 GLN A 96 -21.174 1.720 -4.475 1.00 0.00 N ATOM 0 H GLN A 96 -18.200 5.397 -2.319 1.00 0.00 H new ATOM 0 HA GLN A 96 -19.497 3.247 -0.817 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -17.280 3.211 -2.886 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -18.124 1.812 -2.251 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -19.551 4.054 -3.718 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -18.848 2.682 -4.551 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -20.740 1.830 -5.392 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -22.064 1.230 -4.387 1.00 0.00 H new ATOM 1409 N SER A 97 -17.355 2.310 0.437 1.00 0.00 N ATOM 1410 CA SER A 97 -16.316 1.954 1.378 1.00 0.00 C ATOM 1411 C SER A 97 -15.568 0.730 0.857 1.00 0.00 C ATOM 1412 O SER A 97 -16.180 -0.107 0.190 1.00 0.00 O ATOM 1413 CB SER A 97 -16.931 1.746 2.758 1.00 0.00 C ATOM 1414 OG SER A 97 -18.175 1.071 2.738 1.00 0.00 O ATOM 0 H SER A 97 -18.031 1.561 0.289 1.00 0.00 H new ATOM 0 HA SER A 97 -15.585 2.756 1.479 1.00 0.00 H new ATOM 0 HB2 SER A 97 -16.232 1.180 3.374 1.00 0.00 H new ATOM 0 HB3 SER A 97 -17.064 2.717 3.235 1.00 0.00 H new ATOM 0 HG SER A 97 -18.508 0.972 3.654 1.00 0.00 H new ATOM 1420 N VAL A 98 -14.264 0.620 1.132 1.00 0.00 N ATOM 1421 CA VAL A 98 -13.428 -0.485 0.659 1.00 0.00 C ATOM 1422 C VAL A 98 -12.437 -0.865 1.751 1.00 0.00 C ATOM 1423 O VAL A 98 -11.884 0.025 2.400 1.00 0.00 O ATOM 1424 CB VAL A 98 -12.708 -0.107 -0.655 1.00 0.00 C ATOM 1425 CG1 VAL A 98 -13.729 0.290 -1.726 1.00 0.00 C ATOM 1426 CG2 VAL A 98 -11.673 1.017 -0.495 1.00 0.00 C ATOM 0 H VAL A 98 -13.756 1.303 1.694 1.00 0.00 H new ATOM 0 HA VAL A 98 -14.056 -1.348 0.440 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.160 -0.998 -0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.207 0.554 -2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -14.400 -0.547 -1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -14.307 1.146 -1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.210 1.226 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -12.167 1.916 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.907 0.707 0.215 1.00 0.00 H new ATOM 1436 N ASN A 99 -12.219 -2.166 1.943 1.00 0.00 N ATOM 1437 CA ASN A 99 -11.300 -2.727 2.916 1.00 0.00 C ATOM 1438 C ASN A 99 -9.896 -2.749 2.331 1.00 0.00 C ATOM 1439 O ASN A 99 -9.751 -2.845 1.111 1.00 0.00 O ATOM 1440 CB ASN A 99 -11.732 -4.165 3.232 1.00 0.00 C ATOM 1441 CG ASN A 99 -11.540 -4.498 4.696 1.00 0.00 C ATOM 1442 OD1 ASN A 99 -10.695 -3.939 5.397 1.00 0.00 O ATOM 1443 ND2 ASN A 99 -12.349 -5.401 5.199 1.00 0.00 N ATOM 0 H ASN A 99 -12.701 -2.882 1.399 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.309 -2.123 3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.780 -4.298 2.963 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.156 -4.861 2.622 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.284 -5.651 6.186 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.042 -5.853 4.603 1.00 0.00 H new ATOM 1450 N LEU A 100 -8.859 -2.711 3.165 1.00 0.00 N ATOM 1451 CA LEU A 100 -7.471 -2.706 2.720 1.00 0.00 C ATOM 1452 C LEU A 100 -6.669 -3.521 3.731 1.00 0.00 C ATOM 1453 O LEU A 100 -6.469 -3.032 4.843 1.00 0.00 O ATOM 1454 CB LEU A 100 -6.959 -1.249 2.660 1.00 0.00 C ATOM 1455 CG LEU A 100 -7.739 -0.305 1.719 1.00 0.00 C ATOM 1456 CD1 LEU A 100 -7.435 1.153 2.070 1.00 0.00 C ATOM 1457 CD2 LEU A 100 -7.433 -0.569 0.245 1.00 0.00 C ATOM 0 H LEU A 100 -8.962 -2.683 4.179 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.369 -3.140 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.985 -0.832 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.915 -1.262 2.348 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.801 -0.503 1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.989 1.811 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.732 1.349 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.367 1.339 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.006 0.121 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.369 -0.422 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.706 -1.594 -0.005 1.00 0.00 H new ATOM 1469 N VAL A 101 -6.193 -4.716 3.360 1.00 0.00 N ATOM 1470 CA VAL A 101 -5.412 -5.579 4.253 1.00 0.00 C ATOM 1471 C VAL A 101 -3.972 -5.163 4.057 1.00 0.00 C ATOM 1472 O VAL A 101 -3.478 -5.228 2.921 1.00 0.00 O ATOM 1473 CB VAL A 101 -5.505 -7.080 3.904 1.00 0.00 C ATOM 1474 CG1 VAL A 101 -4.767 -7.966 4.925 1.00 0.00 C ATOM 1475 CG2 VAL A 101 -6.953 -7.570 3.843 1.00 0.00 C ATOM 0 H VAL A 101 -6.339 -5.112 2.431 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.791 -5.464 5.269 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.035 -7.168 2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.862 -9.012 4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.713 -7.691 4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.203 -7.823 5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.968 -8.631 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.430 -7.417 4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.494 -7.011 3.080 1.00 0.00 H new ATOM 1485 N LEU A 102 -3.321 -4.738 5.141 1.00 0.00 N ATOM 1486 CA LEU A 102 -1.914 -4.403 5.101 1.00 0.00 C ATOM 1487 C LEU A 102 -1.135 -5.315 6.046 1.00 0.00 C ATOM 1488 O LEU A 102 -1.697 -5.891 6.983 1.00 0.00 O ATOM 1489 CB LEU A 102 -1.640 -2.927 5.440 1.00 0.00 C ATOM 1490 CG LEU A 102 -2.346 -1.809 4.640 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -1.602 -0.466 4.702 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -2.438 -2.048 3.141 1.00 0.00 C ATOM 0 H LEU A 102 -3.756 -4.620 6.056 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.578 -4.557 4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.892 -2.783 6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.566 -2.766 5.345 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.326 -1.802 5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.146 0.279 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.531 -0.137 5.739 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.600 -0.586 4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.949 -1.209 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.435 -2.142 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.996 -2.965 2.952 1.00 0.00 H new ATOM 1504 N CYS A 103 0.177 -5.397 5.826 1.00 0.00 N ATOM 1505 CA CYS A 103 1.119 -6.009 6.748 1.00 0.00 C ATOM 1506 C CYS A 103 1.926 -4.878 7.390 1.00 0.00 C ATOM 1507 O CYS A 103 2.604 -4.122 6.686 1.00 0.00 O ATOM 1508 CB CYS A 103 1.981 -7.026 5.987 1.00 0.00 C ATOM 1509 SG CYS A 103 3.096 -7.921 7.107 1.00 0.00 S ATOM 0 H CYS A 103 0.619 -5.031 4.983 1.00 0.00 H new ATOM 0 HA CYS A 103 0.625 -6.566 7.544 1.00 0.00 H new ATOM 0 HB2 CYS A 103 1.336 -7.736 5.469 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.565 -6.511 5.224 1.00 0.00 H new ATOM 0 HG CYS A 103 2.584 -9.082 7.393 1.00 0.00 H new ATOM 1515 N ARG A 104 1.836 -4.758 8.719 1.00 0.00 N ATOM 1516 CA ARG A 104 2.514 -3.753 9.528 1.00 0.00 C ATOM 1517 C ARG A 104 3.921 -4.220 9.849 1.00 0.00 C ATOM 1518 O ARG A 104 4.070 -5.269 10.486 1.00 0.00 O ATOM 1519 CB ARG A 104 1.732 -3.551 10.835 1.00 0.00 C ATOM 1520 CG ARG A 104 2.318 -2.445 11.725 1.00 0.00 C ATOM 1521 CD ARG A 104 1.376 -2.041 12.870 1.00 0.00 C ATOM 1522 NE ARG A 104 0.329 -1.127 12.393 1.00 0.00 N ATOM 1523 CZ ARG A 104 -0.216 -0.110 13.076 1.00 0.00 C ATOM 1524 NH1 ARG A 104 -0.029 0.051 14.383 1.00 0.00 N ATOM 1525 NH2 ARG A 104 -0.967 0.771 12.433 1.00 0.00 N ATOM 0 H ARG A 104 1.263 -5.388 9.279 1.00 0.00 H new ATOM 0 HA ARG A 104 2.565 -2.813 8.978 1.00 0.00 H new ATOM 0 HB2 ARG A 104 0.697 -3.307 10.597 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.719 -4.488 11.392 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.266 -2.785 12.143 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.535 -1.569 11.113 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.918 -2.932 13.300 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.948 -1.562 13.664 1.00 0.00 H new ATOM 0 HE ARG A 104 -0.018 -1.282 11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.546 -0.613 14.901 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.461 0.838 14.867 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -1.125 0.671 11.430 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.388 1.549 12.940 1.00 0.00 H new ATOM 1539 N GLY A 105 4.926 -3.402 9.542 1.00 0.00 N ATOM 1540 CA GLY A 105 6.290 -3.596 10.033 1.00 0.00 C ATOM 1541 C GLY A 105 7.337 -3.693 8.935 1.00 0.00 C ATOM 1542 O GLY A 105 8.527 -3.788 9.245 1.00 0.00 O ATOM 0 H GLY A 105 4.817 -2.583 8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.548 -2.769 10.694 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.323 -4.505 10.633 1.00 0.00 H new ATOM 1546 N TYR A 106 6.929 -3.667 7.666 1.00 0.00 N ATOM 1547 CA TYR A 106 7.839 -3.412 6.562 1.00 0.00 C ATOM 1548 C TYR A 106 8.345 -1.965 6.702 1.00 0.00 C ATOM 1549 O TYR A 106 7.565 -1.102 7.126 1.00 0.00 O ATOM 1550 CB TYR A 106 7.121 -3.659 5.221 1.00 0.00 C ATOM 1551 CG TYR A 106 7.302 -5.071 4.670 1.00 0.00 C ATOM 1552 CD1 TYR A 106 8.410 -5.337 3.847 1.00 0.00 C ATOM 1553 CD2 TYR A 106 6.372 -6.105 4.920 1.00 0.00 C ATOM 1554 CE1 TYR A 106 8.599 -6.607 3.275 1.00 0.00 C ATOM 1555 CE2 TYR A 106 6.584 -7.403 4.406 1.00 0.00 C ATOM 1556 CZ TYR A 106 7.692 -7.650 3.559 1.00 0.00 C ATOM 1557 OH TYR A 106 7.866 -8.881 2.998 1.00 0.00 O ATOM 0 H TYR A 106 5.962 -3.822 7.381 1.00 0.00 H new ATOM 0 HA TYR A 106 8.693 -4.088 6.584 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.056 -3.464 5.350 1.00 0.00 H new ATOM 0 HB3 TYR A 106 7.490 -2.943 4.486 1.00 0.00 H new ATOM 0 HD1 TYR A 106 9.127 -4.554 3.651 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.491 -5.901 5.510 1.00 0.00 H new ATOM 0 HE1 TYR A 106 9.438 -6.784 2.618 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.904 -8.204 4.658 1.00 0.00 H new ATOM 0 HH TYR A 106 7.821 -9.568 3.696 1.00 0.00 H new ATOM 1567 N PRO A 107 9.622 -1.680 6.388 1.00 0.00 N ATOM 1568 CA PRO A 107 10.089 -0.317 6.189 1.00 0.00 C ATOM 1569 C PRO A 107 9.516 0.242 4.896 1.00 0.00 C ATOM 1570 O PRO A 107 8.909 -0.480 4.103 1.00 0.00 O ATOM 1571 CB PRO A 107 11.611 -0.399 6.089 1.00 0.00 C ATOM 1572 CG PRO A 107 11.848 -1.803 5.539 1.00 0.00 C ATOM 1573 CD PRO A 107 10.695 -2.622 6.116 1.00 0.00 C ATOM 0 HA PRO A 107 9.776 0.335 7.004 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.013 0.367 5.426 1.00 0.00 H new ATOM 0 HB3 PRO A 107 12.087 -0.261 7.060 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.839 -1.812 4.449 1.00 0.00 H new ATOM 0 HG3 PRO A 107 12.815 -2.197 5.853 1.00 0.00 H new ATOM 0 HD2 PRO A 107 10.371 -3.388 5.411 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.001 -3.136 7.027 1.00 0.00 H new ATOM 1581 N LEU A 108 9.792 1.519 4.648 1.00 0.00 N ATOM 1582 CA LEU A 108 9.540 2.106 3.335 1.00 0.00 C ATOM 1583 C LEU A 108 10.435 1.433 2.275 1.00 0.00 C ATOM 1584 O LEU A 108 11.442 0.806 2.616 1.00 0.00 O ATOM 1585 CB LEU A 108 9.772 3.626 3.374 1.00 0.00 C ATOM 1586 CG LEU A 108 8.582 4.405 3.976 1.00 0.00 C ATOM 1587 CD1 LEU A 108 8.961 5.079 5.296 1.00 0.00 C ATOM 1588 CD2 LEU A 108 8.080 5.457 2.981 1.00 0.00 C ATOM 0 H LEU A 108 10.187 2.163 5.333 1.00 0.00 H new ATOM 0 HA LEU A 108 8.499 1.934 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.668 3.836 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 108 9.959 3.985 2.362 1.00 0.00 H new ATOM 0 HG LEU A 108 7.787 3.688 4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.099 5.618 5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.275 4.322 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.779 5.779 5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.241 5.999 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 108 8.885 6.156 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.756 4.965 2.064 1.00 0.00 H new ATOM 1600 N PRO A 109 10.098 1.553 0.978 1.00 0.00 N ATOM 1601 CA PRO A 109 10.961 1.090 -0.096 1.00 0.00 C ATOM 1602 C PRO A 109 12.073 2.098 -0.402 1.00 0.00 C ATOM 1603 O PRO A 109 13.185 1.689 -0.730 1.00 0.00 O ATOM 1604 CB PRO A 109 10.034 0.919 -1.299 1.00 0.00 C ATOM 1605 CG PRO A 109 8.910 1.926 -1.071 1.00 0.00 C ATOM 1606 CD PRO A 109 8.834 2.048 0.451 1.00 0.00 C ATOM 0 HA PRO A 109 11.469 0.163 0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 109 10.559 1.117 -2.234 1.00 0.00 H new ATOM 0 HB3 PRO A 109 9.648 -0.098 -1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.131 2.885 -1.539 1.00 0.00 H new ATOM 0 HG3 PRO A 109 7.968 1.576 -1.492 1.00 0.00 H new ATOM 0 HD2 PRO A 109 8.671 3.084 0.748 1.00 0.00 H new ATOM 0 HD3 PRO A 109 7.998 1.469 0.844 1.00 0.00 H new