USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 435 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 44 ASN :FLIP amide:sc= -3.02! C(o=-4!,f=-3.7!) USER MOD Set 1.2: A 45 ASN :FLIP amide:sc= -0.677 F(o=-4.3,f=-3.7) USER MOD Set 2.1: A 16 CYS SG : rot -54:sc= -1.49! USER MOD Set 2.2: A 17 SER OG : rot 87:sc= 0.661 USER MOD Single : A 10 SER OG : rot -150:sc= -0.844 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -158:sc= -0.0715 (180deg=-0.514) USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= -0.731 (180deg=-0.814) USER MOD Single : A 27 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.16) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= -0.0178 (180deg=-0.14) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -157:sc= 0.11 (180deg=-0.0241) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.248 F(o=-1.7,f=-0.25) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= -0.0336 (180deg=-0.364) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 158:sc= -0.0736 (180deg=-0.484) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 8 0.713 0.425 -2.522 1.00 0.00 N ATOM 86 CA PRO A 8 0.547 1.130 -1.204 1.00 0.00 C ATOM 87 C PRO A 8 0.117 2.611 -1.391 1.00 0.00 C ATOM 88 O PRO A 8 -0.397 2.941 -2.443 1.00 0.00 O ATOM 89 CB PRO A 8 1.933 0.940 -0.531 1.00 0.00 C ATOM 90 CG PRO A 8 2.479 -0.336 -1.189 1.00 0.00 C ATOM 91 CD PRO A 8 2.103 -0.112 -2.651 1.00 0.00 C ATOM 0 HA PRO A 8 -0.254 0.730 -0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.586 1.794 -0.709 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.843 0.827 0.549 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.556 -0.438 -1.054 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.020 -1.236 -0.781 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.772 0.594 -3.143 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.134 -1.036 -3.229 1.00 0.00 H new ATOM 99 N PRO A 9 0.311 3.469 -0.402 1.00 0.00 N ATOM 100 CA PRO A 9 0.164 4.947 -0.571 1.00 0.00 C ATOM 101 C PRO A 9 0.735 5.502 -1.889 1.00 0.00 C ATOM 102 O PRO A 9 1.407 4.816 -2.635 1.00 0.00 O ATOM 103 CB PRO A 9 0.833 5.508 0.682 1.00 0.00 C ATOM 104 CG PRO A 9 0.411 4.462 1.740 1.00 0.00 C ATOM 105 CD PRO A 9 0.686 3.135 1.006 1.00 0.00 C ATOM 0 HA PRO A 9 -0.880 5.247 -0.660 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.916 5.573 0.576 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.476 6.508 0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.995 4.550 2.656 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.638 4.564 2.019 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.730 2.833 1.088 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.085 2.317 1.404 1.00 0.00 H new ATOM 113 N SER A 10 0.450 6.755 -2.120 1.00 0.00 N ATOM 114 CA SER A 10 0.917 7.453 -3.362 1.00 0.00 C ATOM 115 C SER A 10 1.974 8.540 -3.139 1.00 0.00 C ATOM 116 O SER A 10 2.895 8.656 -3.922 1.00 0.00 O ATOM 117 CB SER A 10 -0.322 8.059 -4.039 1.00 0.00 C ATOM 118 OG SER A 10 -0.902 8.879 -3.031 1.00 0.00 O ATOM 0 H SER A 10 -0.098 7.340 -1.489 1.00 0.00 H new ATOM 0 HA SER A 10 1.416 6.709 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.050 8.642 -4.919 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.014 7.285 -4.370 1.00 0.00 H new ATOM 0 HG SER A 10 -1.872 8.921 -3.162 1.00 0.00 H new ATOM 124 N ALA A 11 1.770 9.277 -2.074 1.00 0.00 N ATOM 125 CA ALA A 11 2.613 10.427 -1.596 1.00 0.00 C ATOM 126 C ALA A 11 1.534 11.415 -1.166 1.00 0.00 C ATOM 127 O ALA A 11 1.584 12.042 -0.123 1.00 0.00 O ATOM 128 CB ALA A 11 3.427 11.054 -2.717 1.00 0.00 C ATOM 0 H ALA A 11 0.974 9.108 -1.459 1.00 0.00 H new ATOM 0 HA ALA A 11 3.336 10.136 -0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.018 11.879 -2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.092 10.305 -3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.755 11.428 -3.489 1.00 0.00 H new ATOM 134 N PHE A 12 0.568 11.493 -2.048 1.00 0.00 N ATOM 135 CA PHE A 12 -0.620 12.352 -1.888 1.00 0.00 C ATOM 136 C PHE A 12 -1.216 11.851 -0.575 1.00 0.00 C ATOM 137 O PHE A 12 -1.640 12.635 0.237 1.00 0.00 O ATOM 138 CB PHE A 12 -1.489 12.096 -3.158 1.00 0.00 C ATOM 139 CG PHE A 12 -3.009 12.376 -3.133 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.720 12.894 -2.067 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.707 12.047 -4.284 1.00 0.00 C ATOM 142 CE1 PHE A 12 -5.084 13.067 -2.151 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.069 12.223 -4.366 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.761 12.734 -3.297 1.00 0.00 C ATOM 0 H PHE A 12 0.568 10.960 -2.918 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.478 13.431 -1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.064 12.693 -3.965 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.358 11.049 -3.433 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.201 13.166 -1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.172 11.645 -5.132 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.625 13.468 -1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.594 11.959 -5.272 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.830 12.873 -3.357 1.00 0.00 H new ATOM 154 N PHE A 13 -1.216 10.555 -0.376 1.00 0.00 N ATOM 155 CA PHE A 13 -1.795 9.994 0.888 1.00 0.00 C ATOM 156 C PHE A 13 -1.354 10.780 2.147 1.00 0.00 C ATOM 157 O PHE A 13 -2.180 11.187 2.939 1.00 0.00 O ATOM 158 CB PHE A 13 -1.374 8.515 1.014 1.00 0.00 C ATOM 159 CG PHE A 13 -2.437 7.812 1.884 1.00 0.00 C ATOM 160 CD1 PHE A 13 -2.488 7.996 3.257 1.00 0.00 C ATOM 161 CD2 PHE A 13 -3.377 6.986 1.289 1.00 0.00 C ATOM 162 CE1 PHE A 13 -3.459 7.373 4.013 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.347 6.363 2.045 1.00 0.00 C ATOM 164 CZ PHE A 13 -4.389 6.554 3.409 1.00 0.00 C ATOM 0 H PHE A 13 -0.843 9.865 -1.028 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.880 10.082 0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.310 8.048 0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.387 8.433 1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.761 8.633 3.739 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.349 6.828 0.221 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.491 7.527 5.081 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.075 5.724 1.567 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.147 6.064 4.002 1.00 0.00 H new ATOM 174 N LEU A 14 -0.072 10.992 2.303 1.00 0.00 N ATOM 175 CA LEU A 14 0.438 11.741 3.494 1.00 0.00 C ATOM 176 C LEU A 14 -0.276 13.087 3.640 1.00 0.00 C ATOM 177 O LEU A 14 -0.932 13.384 4.621 1.00 0.00 O ATOM 178 CB LEU A 14 1.954 12.003 3.364 1.00 0.00 C ATOM 179 CG LEU A 14 2.894 10.752 3.280 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.476 9.577 4.195 1.00 0.00 C ATOM 181 CD2 LEU A 14 3.103 10.260 1.839 1.00 0.00 C ATOM 0 H LEU A 14 0.648 10.677 1.653 1.00 0.00 H new ATOM 0 HA LEU A 14 0.242 11.127 4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.117 12.608 2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.267 12.604 4.218 1.00 0.00 H new ATOM 0 HG LEU A 14 3.848 11.118 3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.180 8.754 4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.478 9.907 5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.475 9.242 3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.762 9.392 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.142 9.984 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.553 11.055 1.245 1.00 0.00 H new ATOM 193 N PHE A 15 -0.113 13.868 2.613 1.00 0.00 N ATOM 194 CA PHE A 15 -0.723 15.221 2.568 1.00 0.00 C ATOM 195 C PHE A 15 -2.273 15.157 2.764 1.00 0.00 C ATOM 196 O PHE A 15 -2.823 15.922 3.532 1.00 0.00 O ATOM 197 CB PHE A 15 -0.167 15.796 1.207 1.00 0.00 C ATOM 198 CG PHE A 15 -1.144 16.490 0.270 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.855 15.720 -0.614 1.00 0.00 C ATOM 200 CD2 PHE A 15 -1.309 17.864 0.267 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.717 16.295 -1.492 1.00 0.00 C ATOM 202 CE2 PHE A 15 -2.184 18.445 -0.627 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.887 17.659 -1.507 1.00 0.00 C ATOM 0 H PHE A 15 0.429 13.619 1.786 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.460 15.898 3.381 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.628 16.504 1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.292 14.973 0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.729 14.647 -0.612 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.755 18.478 0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.272 15.677 -2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.316 19.517 -0.635 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.572 18.111 -2.209 1.00 0.00 H new ATOM 213 N CYS A 16 -2.928 14.251 2.078 1.00 0.00 N ATOM 214 CA CYS A 16 -4.422 14.064 2.171 1.00 0.00 C ATOM 215 C CYS A 16 -4.827 13.916 3.645 1.00 0.00 C ATOM 216 O CYS A 16 -5.762 14.539 4.107 1.00 0.00 O ATOM 217 CB CYS A 16 -4.912 12.777 1.452 1.00 0.00 C ATOM 218 SG CYS A 16 -4.784 11.202 2.339 1.00 0.00 S ATOM 0 H CYS A 16 -2.474 13.606 1.431 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.870 14.937 1.697 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.958 12.924 1.182 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.353 12.682 0.521 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.559 11.026 2.737 1.00 0.00 H new ATOM 223 N SER A 17 -4.098 13.075 4.341 1.00 0.00 N ATOM 224 CA SER A 17 -4.380 12.832 5.783 1.00 0.00 C ATOM 225 C SER A 17 -4.350 14.148 6.560 1.00 0.00 C ATOM 226 O SER A 17 -5.193 14.413 7.395 1.00 0.00 O ATOM 227 CB SER A 17 -3.325 11.855 6.339 1.00 0.00 C ATOM 228 OG SER A 17 -3.444 10.712 5.506 1.00 0.00 O ATOM 0 H SER A 17 -3.313 12.544 3.963 1.00 0.00 H new ATOM 0 HA SER A 17 -5.374 12.398 5.893 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.323 12.281 6.292 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.519 11.610 7.383 1.00 0.00 H new ATOM 0 HG SER A 17 -2.882 10.826 4.711 1.00 0.00 H new ATOM 234 N GLU A 18 -3.352 14.925 6.228 1.00 0.00 N ATOM 235 CA GLU A 18 -3.146 16.254 6.871 1.00 0.00 C ATOM 236 C GLU A 18 -4.030 17.353 6.230 1.00 0.00 C ATOM 237 O GLU A 18 -3.960 18.513 6.584 1.00 0.00 O ATOM 238 CB GLU A 18 -1.676 16.603 6.703 1.00 0.00 C ATOM 239 CG GLU A 18 -1.256 17.740 7.657 1.00 0.00 C ATOM 240 CD GLU A 18 -0.866 17.179 9.039 1.00 0.00 C ATOM 241 OE1 GLU A 18 -1.752 16.663 9.702 1.00 0.00 O ATOM 242 OE2 GLU A 18 0.306 17.297 9.357 1.00 0.00 O ATOM 0 H GLU A 18 -2.656 14.687 5.521 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.430 16.202 7.922 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.066 15.720 6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.487 16.902 5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.415 18.286 7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.075 18.451 7.766 1.00 0.00 H new ATOM 249 N TYR A 19 -4.847 16.943 5.301 1.00 0.00 N ATOM 250 CA TYR A 19 -5.768 17.880 4.583 1.00 0.00 C ATOM 251 C TYR A 19 -7.219 17.759 4.980 1.00 0.00 C ATOM 252 O TYR A 19 -7.924 18.750 5.003 1.00 0.00 O ATOM 253 CB TYR A 19 -5.663 17.622 3.080 1.00 0.00 C ATOM 254 CG TYR A 19 -4.833 18.729 2.461 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.534 18.909 2.867 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.365 19.546 1.491 1.00 0.00 C ATOM 257 CE1 TYR A 19 -2.765 19.902 2.312 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.603 20.537 0.934 1.00 0.00 C ATOM 259 CZ TYR A 19 -3.293 20.728 1.334 1.00 0.00 C ATOM 260 OH TYR A 19 -2.532 21.728 0.764 1.00 0.00 O ATOM 0 H TYR A 19 -4.919 15.972 4.999 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.449 18.885 4.859 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.202 16.652 2.893 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.655 17.595 2.630 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.115 18.266 3.627 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.386 19.405 1.168 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.745 20.039 2.639 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.029 21.176 0.175 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.067 22.206 0.096 1.00 0.00 H new ATOM 270 N ARG A 20 -7.599 16.541 5.257 1.00 0.00 N ATOM 271 CA ARG A 20 -9.001 16.227 5.658 1.00 0.00 C ATOM 272 C ARG A 20 -9.720 17.422 6.318 1.00 0.00 C ATOM 273 O ARG A 20 -10.669 17.897 5.735 1.00 0.00 O ATOM 274 CB ARG A 20 -8.980 14.971 6.592 1.00 0.00 C ATOM 275 CG ARG A 20 -10.448 14.465 6.764 1.00 0.00 C ATOM 276 CD ARG A 20 -10.491 12.926 6.642 1.00 0.00 C ATOM 277 NE ARG A 20 -11.905 12.528 6.355 1.00 0.00 N ATOM 278 CZ ARG A 20 -12.447 11.482 6.921 1.00 0.00 C ATOM 279 NH1 ARG A 20 -12.500 11.399 8.222 1.00 0.00 N ATOM 280 NH2 ARG A 20 -12.926 10.550 6.144 1.00 0.00 N ATOM 0 H ARG A 20 -6.981 15.731 5.221 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.580 16.010 4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.356 14.188 6.161 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.550 15.225 7.561 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.837 14.773 7.735 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.089 14.917 6.007 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.830 12.588 5.844 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.143 12.460 7.564 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.458 13.085 5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.119 12.150 8.797 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.923 10.583 8.664 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.870 10.652 5.131 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.356 9.719 6.550 1.00 0.00 H new ATOM 294 N PRO A 21 -9.293 17.917 7.461 1.00 0.00 N ATOM 295 CA PRO A 21 -10.034 18.995 8.172 1.00 0.00 C ATOM 296 C PRO A 21 -10.146 20.280 7.322 1.00 0.00 C ATOM 297 O PRO A 21 -11.214 20.836 7.162 1.00 0.00 O ATOM 298 CB PRO A 21 -9.240 19.177 9.467 1.00 0.00 C ATOM 299 CG PRO A 21 -7.799 18.819 9.034 1.00 0.00 C ATOM 300 CD PRO A 21 -8.050 17.545 8.205 1.00 0.00 C ATOM 0 HA PRO A 21 -11.076 18.745 8.372 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.308 20.198 9.844 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.600 18.520 10.259 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.337 19.611 8.444 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.146 18.634 9.887 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.221 17.322 7.534 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.195 16.667 8.835 1.00 0.00 H new ATOM 308 N LYS A 22 -9.029 20.707 6.789 1.00 0.00 N ATOM 309 CA LYS A 22 -8.984 21.941 5.944 1.00 0.00 C ATOM 310 C LYS A 22 -9.901 21.987 4.712 1.00 0.00 C ATOM 311 O LYS A 22 -10.460 23.027 4.418 1.00 0.00 O ATOM 312 CB LYS A 22 -7.517 22.165 5.481 1.00 0.00 C ATOM 313 CG LYS A 22 -6.832 23.209 6.401 1.00 0.00 C ATOM 314 CD LYS A 22 -5.381 23.472 5.927 1.00 0.00 C ATOM 315 CE LYS A 22 -4.450 22.316 6.345 1.00 0.00 C ATOM 316 NZ LYS A 22 -4.314 22.295 7.830 1.00 0.00 N ATOM 0 H LYS A 22 -8.128 20.243 6.906 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.368 22.729 6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.968 21.224 5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.500 22.511 4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.399 24.140 6.392 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.826 22.849 7.430 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.363 23.586 4.843 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.019 24.408 6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.853 21.366 5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.471 22.438 5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.440 21.796 8.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.277 23.270 8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.131 21.804 8.246 1.00 0.00 H new ATOM 330 N ILE A 23 -10.075 20.879 4.033 1.00 0.00 N ATOM 331 CA ILE A 23 -10.943 20.907 2.824 1.00 0.00 C ATOM 332 C ILE A 23 -12.352 20.588 3.235 1.00 0.00 C ATOM 333 O ILE A 23 -13.294 20.990 2.594 1.00 0.00 O ATOM 334 CB ILE A 23 -10.405 19.892 1.783 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.971 18.555 2.420 1.00 0.00 C ATOM 336 CG2 ILE A 23 -9.190 20.551 1.093 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.739 17.523 1.307 1.00 0.00 C ATOM 0 H ILE A 23 -9.661 19.975 4.261 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.934 21.894 2.362 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.202 19.654 1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.059 18.693 3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.737 18.200 3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.779 19.868 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.505 21.473 0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.427 20.778 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.432 16.575 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.662 17.380 0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.958 17.881 0.636 1.00 0.00 H new ATOM 349 N LYS A 24 -12.442 19.864 4.306 1.00 0.00 N ATOM 350 CA LYS A 24 -13.747 19.464 4.872 1.00 0.00 C ATOM 351 C LYS A 24 -14.445 20.768 5.307 1.00 0.00 C ATOM 352 O LYS A 24 -15.637 20.931 5.157 1.00 0.00 O ATOM 353 CB LYS A 24 -13.421 18.550 6.031 1.00 0.00 C ATOM 354 CG LYS A 24 -14.695 18.101 6.807 1.00 0.00 C ATOM 355 CD LYS A 24 -14.511 18.342 8.332 1.00 0.00 C ATOM 356 CE LYS A 24 -14.425 19.855 8.650 1.00 0.00 C ATOM 357 NZ LYS A 24 -15.697 20.534 8.266 1.00 0.00 N ATOM 0 H LYS A 24 -11.636 19.522 4.829 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.412 18.937 4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.895 17.670 5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.743 19.061 6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.562 18.654 6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.890 17.045 6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.345 17.899 8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.605 17.843 8.676 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.233 20.001 9.713 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.589 20.301 8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.668 21.526 8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.812 20.497 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.499 20.053 8.721 1.00 0.00 H new ATOM 371 N GLY A 25 -13.638 21.658 5.834 1.00 0.00 N ATOM 372 CA GLY A 25 -14.118 22.983 6.320 1.00 0.00 C ATOM 373 C GLY A 25 -14.634 23.828 5.160 1.00 0.00 C ATOM 374 O GLY A 25 -15.716 24.379 5.222 1.00 0.00 O ATOM 0 H GLY A 25 -12.635 21.512 5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.911 22.841 7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.306 23.507 6.825 1.00 0.00 H new ATOM 378 N GLU A 26 -13.823 23.895 4.140 1.00 0.00 N ATOM 379 CA GLU A 26 -14.167 24.675 2.916 1.00 0.00 C ATOM 380 C GLU A 26 -15.372 24.091 2.158 1.00 0.00 C ATOM 381 O GLU A 26 -16.292 24.794 1.790 1.00 0.00 O ATOM 382 CB GLU A 26 -12.942 24.681 1.986 1.00 0.00 C ATOM 383 CG GLU A 26 -11.713 25.305 2.678 1.00 0.00 C ATOM 384 CD GLU A 26 -11.763 26.843 2.618 1.00 0.00 C ATOM 385 OE1 GLU A 26 -12.620 27.400 3.281 1.00 0.00 O ATOM 386 OE2 GLU A 26 -10.933 27.378 1.900 1.00 0.00 O ATOM 0 H GLU A 26 -12.915 23.431 4.103 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.441 25.683 3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.710 23.661 1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.174 25.240 1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.673 24.980 3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.802 24.949 2.198 1.00 0.00 H new ATOM 393 N HIS A 27 -15.295 22.801 1.965 1.00 0.00 N ATOM 394 CA HIS A 27 -16.315 21.998 1.249 1.00 0.00 C ATOM 395 C HIS A 27 -16.783 20.815 2.124 1.00 0.00 C ATOM 396 O HIS A 27 -16.370 19.692 1.933 1.00 0.00 O ATOM 397 CB HIS A 27 -15.650 21.551 -0.055 1.00 0.00 C ATOM 398 CG HIS A 27 -14.893 22.720 -0.699 1.00 0.00 C ATOM 399 ND1 HIS A 27 -15.423 23.808 -1.150 1.00 0.00 N ATOM 400 CD2 HIS A 27 -13.538 22.876 -0.932 1.00 0.00 C ATOM 401 CE1 HIS A 27 -14.495 24.579 -1.621 1.00 0.00 C ATOM 402 NE2 HIS A 27 -13.307 24.041 -1.504 1.00 0.00 N ATOM 0 H HIS A 27 -14.510 22.243 2.301 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.218 22.568 1.031 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.962 20.729 0.144 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.405 21.175 -0.745 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.780 22.149 -0.682 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -14.679 25.549 -2.058 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.410 24.433 -1.790 1.00 0.00 H new ATOM 410 N PRO A 28 -17.639 21.088 3.078 1.00 0.00 N ATOM 411 CA PRO A 28 -18.363 20.035 3.843 1.00 0.00 C ATOM 412 C PRO A 28 -19.603 19.557 3.068 1.00 0.00 C ATOM 413 O PRO A 28 -20.668 19.403 3.635 1.00 0.00 O ATOM 414 CB PRO A 28 -18.681 20.738 5.162 1.00 0.00 C ATOM 415 CG PRO A 28 -19.019 22.184 4.674 1.00 0.00 C ATOM 416 CD PRO A 28 -17.980 22.458 3.544 1.00 0.00 C ATOM 0 HA PRO A 28 -17.798 19.118 4.008 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.520 20.274 5.682 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -17.834 20.725 5.848 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.041 22.250 4.300 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.928 22.909 5.483 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.402 23.065 2.743 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.104 22.989 3.918 1.00 0.00 H new ATOM 424 N GLY A 29 -19.424 19.334 1.788 1.00 0.00 N ATOM 425 CA GLY A 29 -20.547 18.868 0.928 1.00 0.00 C ATOM 426 C GLY A 29 -20.177 17.779 -0.080 1.00 0.00 C ATOM 427 O GLY A 29 -21.019 17.445 -0.890 1.00 0.00 O ATOM 0 H GLY A 29 -18.536 19.458 1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.345 18.493 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.949 19.724 0.385 1.00 0.00 H new ATOM 431 N LEU A 30 -18.974 17.248 -0.034 1.00 0.00 N ATOM 432 CA LEU A 30 -18.609 16.190 -1.018 1.00 0.00 C ATOM 433 C LEU A 30 -18.483 14.787 -0.395 1.00 0.00 C ATOM 434 O LEU A 30 -18.794 14.580 0.761 1.00 0.00 O ATOM 435 CB LEU A 30 -17.247 16.519 -1.735 1.00 0.00 C ATOM 436 CG LEU A 30 -16.592 17.907 -1.544 1.00 0.00 C ATOM 437 CD1 LEU A 30 -17.559 19.052 -1.812 1.00 0.00 C ATOM 438 CD2 LEU A 30 -15.893 17.922 -0.185 1.00 0.00 C ATOM 0 H LEU A 30 -18.245 17.500 0.633 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.432 16.181 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.522 15.771 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -17.400 16.377 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.824 18.080 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.047 20.003 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -17.920 18.991 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.403 18.983 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -15.423 18.893 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.625 17.742 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.132 17.142 -0.159 1.00 0.00 H new ATOM 450 N SER A 31 -18.020 13.882 -1.220 1.00 0.00 N ATOM 451 CA SER A 31 -17.818 12.453 -0.842 1.00 0.00 C ATOM 452 C SER A 31 -16.334 12.105 -0.823 1.00 0.00 C ATOM 453 O SER A 31 -15.498 12.926 -1.128 1.00 0.00 O ATOM 454 CB SER A 31 -18.538 11.564 -1.863 1.00 0.00 C ATOM 455 OG SER A 31 -19.901 11.939 -1.739 1.00 0.00 O ATOM 0 H SER A 31 -17.763 14.089 -2.185 1.00 0.00 H new ATOM 0 HA SER A 31 -18.224 12.288 0.156 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.167 11.735 -2.874 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.393 10.506 -1.644 1.00 0.00 H new ATOM 0 HG SER A 31 -20.443 11.415 -2.365 1.00 0.00 H new ATOM 461 N ILE A 32 -16.038 10.881 -0.476 1.00 0.00 N ATOM 462 CA ILE A 32 -14.622 10.396 -0.413 1.00 0.00 C ATOM 463 C ILE A 32 -14.038 10.264 -1.842 1.00 0.00 C ATOM 464 O ILE A 32 -12.896 9.909 -2.049 1.00 0.00 O ATOM 465 CB ILE A 32 -14.685 9.056 0.336 1.00 0.00 C ATOM 466 CG1 ILE A 32 -13.407 8.713 1.142 1.00 0.00 C ATOM 467 CG2 ILE A 32 -15.079 7.875 -0.603 1.00 0.00 C ATOM 468 CD1 ILE A 32 -12.099 8.634 0.325 1.00 0.00 C ATOM 0 H ILE A 32 -16.734 10.178 -0.227 1.00 0.00 H new ATOM 0 HA ILE A 32 -13.958 11.087 0.107 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.477 9.194 1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.281 9.463 1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.560 7.756 1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -15.111 6.949 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.060 8.067 -1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -14.342 7.783 -1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.270 8.388 0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.193 7.862 -0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.909 9.596 -0.152 1.00 0.00 H new ATOM 480 N GLY A 33 -14.878 10.568 -2.784 1.00 0.00 N ATOM 481 CA GLY A 33 -14.519 10.510 -4.231 1.00 0.00 C ATOM 482 C GLY A 33 -14.335 11.930 -4.767 1.00 0.00 C ATOM 483 O GLY A 33 -13.809 12.115 -5.847 1.00 0.00 O ATOM 0 H GLY A 33 -15.837 10.866 -2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.602 9.937 -4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.301 9.997 -4.791 1.00 0.00 H new ATOM 487 N ASP A 34 -14.765 12.896 -3.992 1.00 0.00 N ATOM 488 CA ASP A 34 -14.657 14.321 -4.384 1.00 0.00 C ATOM 489 C ASP A 34 -13.512 14.894 -3.571 1.00 0.00 C ATOM 490 O ASP A 34 -12.677 15.597 -4.087 1.00 0.00 O ATOM 491 CB ASP A 34 -15.980 14.994 -4.057 1.00 0.00 C ATOM 492 CG ASP A 34 -17.149 14.518 -4.947 1.00 0.00 C ATOM 493 OD1 ASP A 34 -17.158 13.351 -5.314 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.993 15.361 -5.203 1.00 0.00 O ATOM 0 H ASP A 34 -15.197 12.743 -3.081 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.460 14.468 -5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.228 14.803 -3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.867 16.073 -4.166 1.00 0.00 H new ATOM 499 N VAL A 35 -13.505 14.573 -2.311 1.00 0.00 N ATOM 500 CA VAL A 35 -12.447 15.041 -1.367 1.00 0.00 C ATOM 501 C VAL A 35 -11.111 14.600 -1.965 1.00 0.00 C ATOM 502 O VAL A 35 -10.107 15.283 -1.905 1.00 0.00 O ATOM 503 CB VAL A 35 -12.726 14.360 0.006 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.540 14.510 0.970 1.00 0.00 C ATOM 505 CG2 VAL A 35 -13.947 15.003 0.690 1.00 0.00 C ATOM 0 H VAL A 35 -14.215 13.983 -1.877 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.433 16.121 -1.219 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.902 13.305 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.776 14.021 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.655 14.047 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.346 15.568 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.127 14.514 1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.756 16.063 0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.824 14.887 0.053 1.00 0.00 H new ATOM 515 N ALA A 36 -11.203 13.440 -2.552 1.00 0.00 N ATOM 516 CA ALA A 36 -10.060 12.777 -3.201 1.00 0.00 C ATOM 517 C ALA A 36 -9.748 13.336 -4.582 1.00 0.00 C ATOM 518 O ALA A 36 -8.599 13.627 -4.850 1.00 0.00 O ATOM 519 CB ALA A 36 -10.403 11.297 -3.274 1.00 0.00 C ATOM 0 H ALA A 36 -12.071 12.907 -2.605 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.156 12.953 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.584 10.757 -3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.557 10.909 -2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.314 11.163 -3.858 1.00 0.00 H new ATOM 525 N LYS A 37 -10.736 13.483 -5.429 1.00 0.00 N ATOM 526 CA LYS A 37 -10.404 14.029 -6.777 1.00 0.00 C ATOM 527 C LYS A 37 -10.078 15.527 -6.741 1.00 0.00 C ATOM 528 O LYS A 37 -9.355 16.002 -7.588 1.00 0.00 O ATOM 529 CB LYS A 37 -11.592 13.792 -7.768 1.00 0.00 C ATOM 530 CG LYS A 37 -12.627 14.961 -7.782 1.00 0.00 C ATOM 531 CD LYS A 37 -13.774 14.672 -8.780 1.00 0.00 C ATOM 532 CE LYS A 37 -13.228 14.473 -10.218 1.00 0.00 C ATOM 533 NZ LYS A 37 -14.361 14.316 -11.172 1.00 0.00 N ATOM 0 H LYS A 37 -11.716 13.260 -5.257 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.515 13.498 -7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.195 13.655 -8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.102 12.867 -7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.037 15.101 -6.782 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.128 15.891 -8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.316 13.780 -8.467 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.486 15.497 -8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.615 15.327 -10.505 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.586 13.593 -10.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.989 14.183 -12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.929 13.488 -10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.957 15.168 -11.146 1.00 0.00 H new ATOM 547 N LYS A 38 -10.594 16.236 -5.769 1.00 0.00 N ATOM 548 CA LYS A 38 -10.337 17.693 -5.676 1.00 0.00 C ATOM 549 C LYS A 38 -8.979 17.935 -5.028 1.00 0.00 C ATOM 550 O LYS A 38 -8.168 18.645 -5.589 1.00 0.00 O ATOM 551 CB LYS A 38 -11.482 18.306 -4.854 1.00 0.00 C ATOM 552 CG LYS A 38 -11.742 19.756 -5.304 1.00 0.00 C ATOM 553 CD LYS A 38 -13.007 20.323 -4.600 1.00 0.00 C ATOM 554 CE LYS A 38 -14.274 19.471 -4.908 1.00 0.00 C ATOM 555 NZ LYS A 38 -14.500 19.368 -6.381 1.00 0.00 N ATOM 0 H LYS A 38 -11.188 15.857 -5.031 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.307 18.160 -6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.387 17.711 -4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.230 18.286 -3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.878 20.377 -5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.874 19.790 -6.385 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.841 20.351 -3.523 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.173 21.350 -4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.159 18.474 -4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.145 19.922 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.426 18.930 -6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.479 20.318 -6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.752 18.784 -6.807 1.00 0.00 H new ATOM 569 N LEU A 39 -8.740 17.344 -3.883 1.00 0.00 N ATOM 570 CA LEU A 39 -7.417 17.571 -3.235 1.00 0.00 C ATOM 571 C LEU A 39 -6.369 16.793 -4.055 1.00 0.00 C ATOM 572 O LEU A 39 -5.231 17.211 -4.145 1.00 0.00 O ATOM 573 CB LEU A 39 -7.608 17.138 -1.729 1.00 0.00 C ATOM 574 CG LEU A 39 -6.962 15.828 -1.316 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.505 16.112 -1.032 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.556 15.330 0.021 1.00 0.00 C ATOM 0 H LEU A 39 -9.385 16.732 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.054 18.599 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.212 17.930 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.677 17.071 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.118 15.092 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.007 15.190 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.029 16.505 -1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.427 16.845 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.082 14.390 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.377 16.073 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.629 15.175 -0.093 1.00 0.00 H new ATOM 588 N GLY A 40 -6.747 15.688 -4.643 1.00 0.00 N ATOM 589 CA GLY A 40 -5.753 14.915 -5.455 1.00 0.00 C ATOM 590 C GLY A 40 -5.204 15.796 -6.574 1.00 0.00 C ATOM 591 O GLY A 40 -4.028 15.761 -6.879 1.00 0.00 O ATOM 0 H GLY A 40 -7.685 15.290 -4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.938 14.570 -4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.225 14.028 -5.877 1.00 0.00 H new ATOM 595 N GLU A 41 -6.067 16.576 -7.170 1.00 0.00 N ATOM 596 CA GLU A 41 -5.597 17.464 -8.265 1.00 0.00 C ATOM 597 C GLU A 41 -4.587 18.426 -7.650 1.00 0.00 C ATOM 598 O GLU A 41 -3.501 18.579 -8.171 1.00 0.00 O ATOM 599 CB GLU A 41 -6.757 18.253 -8.836 1.00 0.00 C ATOM 600 CG GLU A 41 -7.647 17.330 -9.683 1.00 0.00 C ATOM 601 CD GLU A 41 -8.978 18.035 -10.012 1.00 0.00 C ATOM 602 OE1 GLU A 41 -9.678 18.367 -9.068 1.00 0.00 O ATOM 603 OE2 GLU A 41 -9.228 18.205 -11.194 1.00 0.00 O ATOM 0 H GLU A 41 -7.061 16.635 -6.948 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.154 16.879 -9.071 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.340 18.695 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.384 19.075 -9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.132 17.060 -10.605 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.841 16.403 -9.143 1.00 0.00 H new ATOM 610 N MET A 42 -4.975 19.034 -6.550 1.00 0.00 N ATOM 611 CA MET A 42 -4.067 20.003 -5.854 1.00 0.00 C ATOM 612 C MET A 42 -2.666 19.397 -5.789 1.00 0.00 C ATOM 613 O MET A 42 -1.700 19.989 -6.213 1.00 0.00 O ATOM 614 CB MET A 42 -4.568 20.249 -4.450 1.00 0.00 C ATOM 615 CG MET A 42 -5.980 20.864 -4.489 1.00 0.00 C ATOM 616 SD MET A 42 -6.153 22.570 -5.076 1.00 0.00 S ATOM 617 CE MET A 42 -7.395 22.289 -6.365 1.00 0.00 C ATOM 0 H MET A 42 -5.883 18.900 -6.105 1.00 0.00 H new ATOM 0 HA MET A 42 -4.045 20.947 -6.398 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.587 19.312 -3.893 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.886 20.918 -3.925 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.602 20.230 -5.120 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.393 20.815 -3.481 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.637 23.235 -6.850 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.000 21.593 -7.105 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.296 21.870 -5.917 1.00 0.00 H new ATOM 627 N TRP A 43 -2.641 18.213 -5.236 1.00 0.00 N ATOM 628 CA TRP A 43 -1.397 17.423 -5.075 1.00 0.00 C ATOM 629 C TRP A 43 -0.604 17.408 -6.359 1.00 0.00 C ATOM 630 O TRP A 43 0.548 17.791 -6.354 1.00 0.00 O ATOM 631 CB TRP A 43 -1.756 15.989 -4.684 1.00 0.00 C ATOM 632 CG TRP A 43 -0.509 15.123 -4.731 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.241 14.250 -5.723 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.487 15.111 -3.833 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.924 13.754 -5.360 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.452 14.207 -4.237 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.645 15.827 -2.659 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.585 14.013 -3.456 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.776 15.634 -1.872 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.750 14.726 -2.274 1.00 0.00 C ATOM 0 H TRP A 43 -3.473 17.747 -4.875 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.789 17.883 -4.295 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.187 15.971 -3.683 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.512 15.594 -5.363 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.833 14.016 -6.596 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.399 13.049 -5.923 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.110 16.536 -2.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.340 13.306 -3.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.897 16.187 -0.952 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.632 14.575 -1.669 1.00 0.00 H new ATOM 651 N ASN A 44 -1.265 16.982 -7.411 1.00 0.00 N ATOM 652 CA ASN A 44 -0.560 16.918 -8.727 1.00 0.00 C ATOM 653 C ASN A 44 0.194 18.234 -8.982 1.00 0.00 C ATOM 654 O ASN A 44 1.278 18.225 -9.531 1.00 0.00 O ATOM 655 CB ASN A 44 -1.602 16.597 -9.881 1.00 0.00 C ATOM 656 CG ASN A 44 -2.160 17.791 -10.676 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.452 17.937 -10.763 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -1.433 18.591 -11.233 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.240 16.683 -7.415 1.00 0.00 H new ATOM 0 HA ASN A 44 0.176 16.114 -8.713 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.126 15.915 -10.585 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.443 16.063 -9.438 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.420 18.488 -11.173 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.836 19.365 -11.761 1.00 0.00 H new ATOM 665 N ASN A 45 -0.426 19.311 -8.561 1.00 0.00 N ATOM 666 CA ASN A 45 0.166 20.675 -8.720 1.00 0.00 C ATOM 667 C ASN A 45 0.445 21.405 -7.365 1.00 0.00 C ATOM 668 O ASN A 45 0.245 22.604 -7.283 1.00 0.00 O ATOM 669 CB ASN A 45 -0.817 21.491 -9.595 1.00 0.00 C ATOM 670 CG ASN A 45 -2.179 21.585 -8.887 1.00 0.00 C ATOM 671 OD1 ASN A 45 -3.198 20.924 -9.356 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -2.332 22.263 -7.891 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.338 19.300 -8.104 1.00 0.00 H new ATOM 0 HA ASN A 45 1.146 20.581 -9.188 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.418 22.490 -9.773 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.934 21.016 -10.569 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.547 22.789 -7.507 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.245 22.306 -7.439 1.00 0.00 H new ATOM 679 N THR A 46 0.901 20.710 -6.339 1.00 0.00 N ATOM 680 CA THR A 46 1.168 21.412 -5.030 1.00 0.00 C ATOM 681 C THR A 46 2.328 22.399 -5.229 1.00 0.00 C ATOM 682 O THR A 46 2.246 23.556 -4.864 1.00 0.00 O ATOM 683 CB THR A 46 1.514 20.342 -3.901 1.00 0.00 C ATOM 684 OG1 THR A 46 1.880 21.120 -2.767 1.00 0.00 O ATOM 685 CG2 THR A 46 2.762 19.455 -4.133 1.00 0.00 C ATOM 0 H THR A 46 1.096 19.709 -6.348 1.00 0.00 H new ATOM 0 HA THR A 46 0.283 21.962 -4.709 1.00 0.00 H new ATOM 0 HB THR A 46 0.649 19.682 -3.838 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.108 20.525 -2.022 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.884 18.772 -3.292 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.635 18.881 -5.051 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.646 20.086 -4.219 1.00 0.00 H new ATOM 693 N ALA A 47 3.369 21.873 -5.808 1.00 0.00 N ATOM 694 CA ALA A 47 4.617 22.627 -6.118 1.00 0.00 C ATOM 695 C ALA A 47 5.468 21.652 -6.922 1.00 0.00 C ATOM 696 O ALA A 47 5.953 21.971 -7.987 1.00 0.00 O ATOM 697 CB ALA A 47 5.376 23.019 -4.825 1.00 0.00 C ATOM 0 H ALA A 47 3.406 20.895 -6.095 1.00 0.00 H new ATOM 0 HA ALA A 47 4.398 23.552 -6.651 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.281 23.567 -5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.737 23.648 -4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.644 22.118 -4.273 1.00 0.00 H new ATOM 703 N ALA A 48 5.587 20.492 -6.319 1.00 0.00 N ATOM 704 CA ALA A 48 6.348 19.295 -6.805 1.00 0.00 C ATOM 705 C ALA A 48 7.574 19.299 -5.892 1.00 0.00 C ATOM 706 O ALA A 48 8.037 18.272 -5.427 1.00 0.00 O ATOM 707 CB ALA A 48 6.831 19.408 -8.278 1.00 0.00 C ATOM 0 H ALA A 48 5.139 20.317 -5.419 1.00 0.00 H new ATOM 0 HA ALA A 48 5.727 18.399 -6.778 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.373 18.503 -8.554 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.970 19.530 -8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.490 20.270 -8.380 1.00 0.00 H new ATOM 713 N ASP A 49 8.039 20.505 -5.657 1.00 0.00 N ATOM 714 CA ASP A 49 9.225 20.739 -4.792 1.00 0.00 C ATOM 715 C ASP A 49 8.741 20.853 -3.324 1.00 0.00 C ATOM 716 O ASP A 49 9.472 21.255 -2.441 1.00 0.00 O ATOM 717 CB ASP A 49 9.899 22.043 -5.286 1.00 0.00 C ATOM 718 CG ASP A 49 11.176 22.355 -4.481 1.00 0.00 C ATOM 719 OD1 ASP A 49 12.084 21.542 -4.558 1.00 0.00 O ATOM 720 OD2 ASP A 49 11.172 23.389 -3.830 1.00 0.00 O ATOM 0 H ASP A 49 7.629 21.355 -6.043 1.00 0.00 H new ATOM 0 HA ASP A 49 9.949 19.926 -4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.147 21.948 -6.343 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.198 22.873 -5.196 1.00 0.00 H new ATOM 725 N ASP A 50 7.498 20.476 -3.137 1.00 0.00 N ATOM 726 CA ASP A 50 6.808 20.485 -1.811 1.00 0.00 C ATOM 727 C ASP A 50 6.362 19.030 -1.561 1.00 0.00 C ATOM 728 O ASP A 50 6.011 18.660 -0.460 1.00 0.00 O ATOM 729 CB ASP A 50 5.581 21.429 -1.871 1.00 0.00 C ATOM 730 CG ASP A 50 4.832 21.579 -0.523 1.00 0.00 C ATOM 731 OD1 ASP A 50 5.350 21.160 0.501 1.00 0.00 O ATOM 732 OD2 ASP A 50 3.748 22.131 -0.606 1.00 0.00 O ATOM 0 H ASP A 50 6.904 20.144 -3.897 1.00 0.00 H new ATOM 0 HA ASP A 50 7.457 20.841 -1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.910 22.414 -2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.885 21.055 -2.622 1.00 0.00 H new ATOM 737 N LYS A 51 6.395 18.245 -2.612 1.00 0.00 N ATOM 738 CA LYS A 51 5.999 16.812 -2.522 1.00 0.00 C ATOM 739 C LYS A 51 7.234 16.120 -1.997 1.00 0.00 C ATOM 740 O LYS A 51 7.145 15.449 -0.999 1.00 0.00 O ATOM 741 CB LYS A 51 5.700 16.177 -3.879 1.00 0.00 C ATOM 742 CG LYS A 51 4.481 16.774 -4.560 1.00 0.00 C ATOM 743 CD LYS A 51 4.336 16.041 -5.906 1.00 0.00 C ATOM 744 CE LYS A 51 3.125 16.566 -6.671 1.00 0.00 C ATOM 745 NZ LYS A 51 3.084 15.988 -8.046 1.00 0.00 N ATOM 0 H LYS A 51 6.685 18.547 -3.542 1.00 0.00 H new ATOM 0 HA LYS A 51 5.099 16.723 -1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.567 16.297 -4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.547 15.106 -3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.589 16.642 -3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.607 17.846 -4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.238 16.180 -6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.229 14.970 -5.734 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.211 16.311 -6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.167 17.654 -6.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.528 16.610 -8.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.052 15.904 -8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.643 15.047 -8.014 1.00 0.00 H new ATOM 759 N GLN A 52 8.330 16.305 -2.694 1.00 0.00 N ATOM 760 CA GLN A 52 9.655 15.707 -2.333 1.00 0.00 C ATOM 761 C GLN A 52 9.775 15.229 -0.858 1.00 0.00 C ATOM 762 O GLN A 52 10.045 14.064 -0.665 1.00 0.00 O ATOM 763 CB GLN A 52 10.748 16.772 -2.678 1.00 0.00 C ATOM 764 CG GLN A 52 12.009 16.087 -3.255 1.00 0.00 C ATOM 765 CD GLN A 52 11.728 15.438 -4.631 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.552 15.542 -5.192 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.597 14.820 -5.216 1.00 0.00 N flip ATOM 0 H GLN A 52 8.359 16.875 -3.540 1.00 0.00 H new ATOM 0 HA GLN A 52 9.784 14.791 -2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.353 17.487 -3.400 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.011 17.335 -1.783 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.808 16.821 -3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.361 15.326 -2.559 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.523 14.724 -4.800 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.400 14.397 -6.123 1.00 0.00 H new ATOM 776 N PRO A 53 9.573 16.072 0.136 1.00 0.00 N ATOM 777 CA PRO A 53 9.493 15.636 1.570 1.00 0.00 C ATOM 778 C PRO A 53 8.544 14.441 1.817 1.00 0.00 C ATOM 779 O PRO A 53 8.939 13.425 2.356 1.00 0.00 O ATOM 780 CB PRO A 53 9.068 16.910 2.322 1.00 0.00 C ATOM 781 CG PRO A 53 8.422 17.781 1.218 1.00 0.00 C ATOM 782 CD PRO A 53 9.367 17.546 0.034 1.00 0.00 C ATOM 0 HA PRO A 53 10.447 15.242 1.920 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.362 16.687 3.122 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.922 17.410 2.780 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.402 17.467 0.995 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.377 18.832 1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.920 17.837 -0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.299 18.102 0.131 1.00 0.00 H new ATOM 790 N TYR A 54 7.314 14.614 1.401 1.00 0.00 N ATOM 791 CA TYR A 54 6.265 13.553 1.563 1.00 0.00 C ATOM 792 C TYR A 54 6.649 12.367 0.693 1.00 0.00 C ATOM 793 O TYR A 54 6.707 11.236 1.133 1.00 0.00 O ATOM 794 CB TYR A 54 4.893 14.074 1.102 1.00 0.00 C ATOM 795 CG TYR A 54 4.337 15.143 2.050 1.00 0.00 C ATOM 796 CD1 TYR A 54 3.768 14.798 3.258 1.00 0.00 C ATOM 797 CD2 TYR A 54 4.397 16.474 1.699 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.267 15.771 4.097 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.900 17.449 2.537 1.00 0.00 C ATOM 800 CZ TYR A 54 3.327 17.105 3.744 1.00 0.00 C ATOM 801 OH TYR A 54 2.821 18.077 4.584 1.00 0.00 O ATOM 0 H TYR A 54 6.983 15.465 0.945 1.00 0.00 H new ATOM 0 HA TYR A 54 6.201 13.268 2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.982 14.490 0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.191 13.242 1.041 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.714 13.759 3.549 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.839 16.757 0.755 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.823 15.487 5.040 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.959 18.488 2.247 1.00 0.00 H new ATOM 0 HH TYR A 54 2.949 18.959 4.177 1.00 0.00 H new ATOM 811 N GLU A 55 6.891 12.690 -0.549 1.00 0.00 N ATOM 812 CA GLU A 55 7.286 11.669 -1.554 1.00 0.00 C ATOM 813 C GLU A 55 8.378 10.734 -1.018 1.00 0.00 C ATOM 814 O GLU A 55 8.200 9.541 -1.070 1.00 0.00 O ATOM 815 CB GLU A 55 7.741 12.424 -2.820 1.00 0.00 C ATOM 816 CG GLU A 55 6.832 11.972 -3.983 1.00 0.00 C ATOM 817 CD GLU A 55 7.278 12.640 -5.298 1.00 0.00 C ATOM 818 OE1 GLU A 55 7.195 13.857 -5.355 1.00 0.00 O ATOM 819 OE2 GLU A 55 7.681 11.893 -6.175 1.00 0.00 O ATOM 0 H GLU A 55 6.829 13.640 -0.914 1.00 0.00 H new ATOM 0 HA GLU A 55 6.441 11.022 -1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.666 13.501 -2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.785 12.205 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.873 10.888 -4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.796 12.233 -3.767 1.00 0.00 H new ATOM 826 N LYS A 56 9.473 11.272 -0.537 1.00 0.00 N ATOM 827 CA LYS A 56 10.592 10.437 0.017 1.00 0.00 C ATOM 828 C LYS A 56 10.077 9.246 0.844 1.00 0.00 C ATOM 829 O LYS A 56 10.624 8.160 0.798 1.00 0.00 O ATOM 830 CB LYS A 56 11.499 11.355 0.896 1.00 0.00 C ATOM 831 CG LYS A 56 12.815 11.702 0.145 1.00 0.00 C ATOM 832 CD LYS A 56 13.764 10.466 0.084 1.00 0.00 C ATOM 833 CE LYS A 56 14.412 10.197 1.464 1.00 0.00 C ATOM 834 NZ LYS A 56 15.336 11.311 1.828 1.00 0.00 N ATOM 0 H LYS A 56 9.644 12.277 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 56 11.159 10.017 -0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.964 12.271 1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.731 10.854 1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.584 12.038 -0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.319 12.528 0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.203 9.588 -0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.542 10.636 -0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.637 10.095 2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.959 9.255 1.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.004 10.984 2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.863 11.614 0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.785 12.112 2.199 1.00 0.00 H new ATOM 848 N LYS A 57 9.013 9.492 1.569 1.00 0.00 N ATOM 849 CA LYS A 57 8.426 8.408 2.418 1.00 0.00 C ATOM 850 C LYS A 57 7.685 7.458 1.475 1.00 0.00 C ATOM 851 O LYS A 57 7.942 6.270 1.469 1.00 0.00 O ATOM 852 CB LYS A 57 7.455 9.038 3.445 1.00 0.00 C ATOM 853 CG LYS A 57 8.213 10.111 4.262 1.00 0.00 C ATOM 854 CD LYS A 57 7.341 10.580 5.443 1.00 0.00 C ATOM 855 CE LYS A 57 8.081 11.699 6.206 1.00 0.00 C ATOM 856 NZ LYS A 57 7.315 12.088 7.425 1.00 0.00 N ATOM 0 H LYS A 57 8.529 10.389 1.610 1.00 0.00 H new ATOM 0 HA LYS A 57 9.192 7.865 2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.604 9.487 2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.059 8.270 4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.153 9.702 4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.463 10.958 3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.381 10.945 5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.132 9.744 6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.078 11.359 6.488 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.211 12.566 5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.824 12.842 7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.373 12.432 7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.213 11.262 8.049 1.00 0.00 H new ATOM 870 N ALA A 58 6.782 8.020 0.706 1.00 0.00 N ATOM 871 CA ALA A 58 5.978 7.218 -0.284 1.00 0.00 C ATOM 872 C ALA A 58 6.897 6.213 -1.000 1.00 0.00 C ATOM 873 O ALA A 58 6.596 5.044 -1.127 1.00 0.00 O ATOM 874 CB ALA A 58 5.356 8.158 -1.309 1.00 0.00 C ATOM 0 H ALA A 58 6.562 9.016 0.720 1.00 0.00 H new ATOM 0 HA ALA A 58 5.190 6.677 0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.774 7.580 -2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.704 8.869 -0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.145 8.698 -1.833 1.00 0.00 H new ATOM 880 N ALA A 59 8.005 6.745 -1.453 1.00 0.00 N ATOM 881 CA ALA A 59 9.043 5.955 -2.174 1.00 0.00 C ATOM 882 C ALA A 59 9.341 4.694 -1.352 1.00 0.00 C ATOM 883 O ALA A 59 9.055 3.606 -1.803 1.00 0.00 O ATOM 884 CB ALA A 59 10.301 6.839 -2.330 1.00 0.00 C ATOM 0 H ALA A 59 8.238 7.732 -1.347 1.00 0.00 H new ATOM 0 HA ALA A 59 8.706 5.652 -3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.075 6.280 -2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.049 7.734 -2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.667 7.127 -1.345 1.00 0.00 H new ATOM 890 N LYS A 60 9.903 4.879 -0.179 1.00 0.00 N ATOM 891 CA LYS A 60 10.251 3.750 0.750 1.00 0.00 C ATOM 892 C LYS A 60 9.165 2.653 0.710 1.00 0.00 C ATOM 893 O LYS A 60 9.456 1.477 0.658 1.00 0.00 O ATOM 894 CB LYS A 60 10.393 4.315 2.186 1.00 0.00 C ATOM 895 CG LYS A 60 11.125 3.280 3.088 1.00 0.00 C ATOM 896 CD LYS A 60 11.312 3.836 4.527 1.00 0.00 C ATOM 897 CE LYS A 60 9.974 3.855 5.296 1.00 0.00 C ATOM 898 NZ LYS A 60 9.474 2.464 5.484 1.00 0.00 N ATOM 0 H LYS A 60 10.144 5.800 0.186 1.00 0.00 H new ATOM 0 HA LYS A 60 11.191 3.298 0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.950 5.252 2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.409 4.539 2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.553 2.353 3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.097 3.039 2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.035 3.223 5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.722 4.845 4.480 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.109 4.336 6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.238 4.444 4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.812 2.438 6.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.985 2.151 4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.276 1.830 5.676 1.00 0.00 H new ATOM 912 N LEU A 61 7.926 3.080 0.733 1.00 0.00 N ATOM 913 CA LEU A 61 6.788 2.101 0.699 1.00 0.00 C ATOM 914 C LEU A 61 6.710 1.396 -0.665 1.00 0.00 C ATOM 915 O LEU A 61 6.729 0.182 -0.708 1.00 0.00 O ATOM 916 CB LEU A 61 5.490 2.866 0.996 1.00 0.00 C ATOM 917 CG LEU A 61 5.701 3.760 2.250 1.00 0.00 C ATOM 918 CD1 LEU A 61 4.377 4.430 2.613 1.00 0.00 C ATOM 919 CD2 LEU A 61 6.257 2.941 3.450 1.00 0.00 C ATOM 0 H LEU A 61 7.651 4.061 0.774 1.00 0.00 H new ATOM 0 HA LEU A 61 6.943 1.327 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.211 3.480 0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.672 2.166 1.167 1.00 0.00 H new ATOM 0 HG LEU A 61 6.444 4.523 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.517 5.059 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.039 5.043 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.630 3.666 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.392 3.599 4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.554 2.149 3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.216 2.500 3.177 1.00 0.00 H new ATOM 931 N LYS A 62 6.620 2.144 -1.743 1.00 0.00 N ATOM 932 CA LYS A 62 6.552 1.502 -3.108 1.00 0.00 C ATOM 933 C LYS A 62 7.684 0.463 -3.187 1.00 0.00 C ATOM 934 O LYS A 62 7.532 -0.640 -3.669 1.00 0.00 O ATOM 935 CB LYS A 62 6.747 2.559 -4.213 1.00 0.00 C ATOM 936 CG LYS A 62 5.516 3.490 -4.242 1.00 0.00 C ATOM 937 CD LYS A 62 5.503 4.354 -5.524 1.00 0.00 C ATOM 938 CE LYS A 62 6.701 5.320 -5.566 1.00 0.00 C ATOM 939 NZ LYS A 62 6.641 6.128 -6.818 1.00 0.00 N ATOM 0 H LYS A 62 6.591 3.164 -1.742 1.00 0.00 H new ATOM 0 HA LYS A 62 5.578 1.035 -3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.652 3.137 -4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.874 2.073 -5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.604 2.895 -4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.524 4.136 -3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.526 3.706 -6.401 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.574 4.922 -5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.684 5.976 -4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.635 4.760 -5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.450 6.781 -6.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.676 5.495 -7.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.755 6.672 -6.838 1.00 0.00 H new