USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 380 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 30:sc= 0.73 USER MOD Single : A 18 CYS SG : rot 180:sc= -0.0703 USER MOD Single : A 19 SER OG : rot -36:sc= 0.0571 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= -0.0204 (180deg=-0.45) USER MOD Single : A 26 LYS NZ :NH3+ 145:sc= -1.01 (180deg=-1.78) USER MOD Single : A 29 HIS : no HD1:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.467 USER MOD Single : A 39 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00317) USER MOD Single : A 40 LYS NZ :NH3+ -165:sc= -0.73 (180deg=-1.42) USER MOD Single : A 44 MET CE :methyl -164:sc= -2.48! (180deg=-3.05!) USER MOD Single : A 46 ASN : amide:sc= -1.07 K(o=-1.1,f=-1.7!) USER MOD Single : A 47 ASN :FLIP amide:sc= -0.229 F(o=-0.9,f=-0.23) USER MOD Single : A 48 THR OG1 : rot 40:sc= 0.263 USER MOD Single : A 53 LYS NZ :NH3+ -136:sc= 2.1 (180deg=0.597) USER MOD Single : A 54 GLN :FLIP amide:sc= -1.26 F(o=-6.8!,f=-1.3) USER MOD Single : A 56 TYR OH : rot 165:sc= -0.704 USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= -0.0955 (180deg=-1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 6.544 7.127 4.843 1.00 0.00 N ATOM 184 CA SER A 12 6.707 5.729 5.297 1.00 0.00 C ATOM 185 C SER A 12 6.865 4.810 4.103 1.00 0.00 C ATOM 186 O SER A 12 6.261 5.020 3.080 1.00 0.00 O ATOM 187 CB SER A 12 5.444 5.325 6.067 1.00 0.00 C ATOM 188 OG SER A 12 5.191 6.430 6.924 1.00 0.00 O ATOM 0 HA SER A 12 7.591 5.649 5.929 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.607 5.144 5.393 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.600 4.408 6.635 1.00 0.00 H new ATOM 0 HG SER A 12 5.520 7.252 6.504 1.00 0.00 H new ATOM 194 N ALA A 13 7.661 3.799 4.257 1.00 0.00 N ATOM 195 CA ALA A 13 7.864 2.865 3.136 1.00 0.00 C ATOM 196 C ALA A 13 6.547 2.376 2.584 1.00 0.00 C ATOM 197 O ALA A 13 6.416 2.152 1.397 1.00 0.00 O ATOM 198 CB ALA A 13 8.653 1.655 3.649 1.00 0.00 C ATOM 0 H ALA A 13 8.177 3.582 5.110 1.00 0.00 H new ATOM 0 HA ALA A 13 8.402 3.385 2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.813 0.952 2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.616 1.986 4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.091 1.165 4.444 1.00 0.00 H new ATOM 204 N PHE A 14 5.588 2.211 3.449 1.00 0.00 N ATOM 205 CA PHE A 14 4.261 1.729 2.980 1.00 0.00 C ATOM 206 C PHE A 14 3.394 2.895 2.472 1.00 0.00 C ATOM 207 O PHE A 14 2.350 2.683 1.895 1.00 0.00 O ATOM 208 CB PHE A 14 3.556 0.990 4.173 1.00 0.00 C ATOM 209 CG PHE A 14 2.105 1.458 4.366 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.852 2.731 4.795 1.00 0.00 C ATOM 211 CD2 PHE A 14 1.038 0.613 4.075 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.559 3.182 4.939 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.259 1.060 4.216 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.499 2.345 4.649 1.00 0.00 C ATOM 0 H PHE A 14 5.663 2.387 4.451 1.00 0.00 H new ATOM 0 HA PHE A 14 4.396 1.043 2.144 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.569 -0.085 3.992 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.118 1.165 5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.676 3.391 5.024 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.226 -0.396 3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.373 4.190 5.279 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.085 0.403 3.987 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.514 2.697 4.761 1.00 0.00 H new ATOM 224 N PHE A 15 3.794 4.092 2.738 1.00 0.00 N ATOM 225 CA PHE A 15 2.964 5.209 2.246 1.00 0.00 C ATOM 226 C PHE A 15 2.982 5.191 0.739 1.00 0.00 C ATOM 227 O PHE A 15 1.953 5.169 0.097 1.00 0.00 O ATOM 228 CB PHE A 15 3.537 6.536 2.737 1.00 0.00 C ATOM 229 CG PHE A 15 2.701 7.669 2.137 1.00 0.00 C ATOM 230 CD1 PHE A 15 1.465 7.980 2.670 1.00 0.00 C ATOM 231 CD2 PHE A 15 3.148 8.364 1.028 1.00 0.00 C ATOM 232 CE1 PHE A 15 0.688 8.966 2.103 1.00 0.00 C ATOM 233 CE2 PHE A 15 2.370 9.352 0.464 1.00 0.00 C ATOM 234 CZ PHE A 15 1.141 9.653 1.000 1.00 0.00 C ATOM 0 H PHE A 15 4.634 4.345 3.259 1.00 0.00 H new ATOM 0 HA PHE A 15 1.945 5.101 2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.513 6.581 3.826 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.580 6.634 2.437 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.105 7.446 3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.112 8.131 0.601 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.278 9.200 2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.727 9.891 -0.401 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.532 10.427 0.557 1.00 0.00 H new ATOM 244 N LEU A 16 4.164 5.203 0.201 1.00 0.00 N ATOM 245 CA LEU A 16 4.300 5.182 -1.258 1.00 0.00 C ATOM 246 C LEU A 16 3.505 4.021 -1.815 1.00 0.00 C ATOM 247 O LEU A 16 3.129 4.005 -2.969 1.00 0.00 O ATOM 248 CB LEU A 16 5.785 4.943 -1.593 1.00 0.00 C ATOM 249 CG LEU A 16 6.647 6.174 -1.169 1.00 0.00 C ATOM 250 CD1 LEU A 16 7.255 5.939 0.228 1.00 0.00 C ATOM 251 CD2 LEU A 16 7.795 6.363 -2.174 1.00 0.00 C ATOM 0 H LEU A 16 5.042 5.227 0.720 1.00 0.00 H new ATOM 0 HA LEU A 16 3.943 6.121 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.140 4.049 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.898 4.763 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 16 6.010 7.058 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.854 6.803 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.454 5.796 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.887 5.051 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.398 7.222 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.418 5.469 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.383 6.532 -3.169 1.00 0.00 H new ATOM 263 N PHE A 17 3.260 3.060 -0.960 1.00 0.00 N ATOM 264 CA PHE A 17 2.497 1.872 -1.374 1.00 0.00 C ATOM 265 C PHE A 17 1.002 2.124 -1.186 1.00 0.00 C ATOM 266 O PHE A 17 0.184 1.646 -1.947 1.00 0.00 O ATOM 267 CB PHE A 17 2.973 0.740 -0.470 1.00 0.00 C ATOM 268 CG PHE A 17 2.088 -0.473 -0.568 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.901 -0.517 0.132 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.506 -1.586 -1.262 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.145 -1.660 0.148 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.749 -2.732 -1.249 1.00 0.00 C ATOM 273 CZ PHE A 17 0.568 -2.767 -0.539 1.00 0.00 C ATOM 0 H PHE A 17 3.564 3.059 0.014 1.00 0.00 H new ATOM 0 HA PHE A 17 2.653 1.630 -2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.993 0.466 -0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.998 1.088 0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.564 0.356 0.672 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.431 -1.558 -1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.782 -1.688 0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.079 -3.604 -1.794 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.025 -3.669 -0.524 1.00 0.00 H new ATOM 283 N CYS A 18 0.679 2.875 -0.158 1.00 0.00 N ATOM 284 CA CYS A 18 -0.739 3.183 0.114 1.00 0.00 C ATOM 285 C CYS A 18 -1.408 3.808 -1.117 1.00 0.00 C ATOM 286 O CYS A 18 -2.497 3.433 -1.495 1.00 0.00 O ATOM 287 CB CYS A 18 -0.793 4.195 1.286 1.00 0.00 C ATOM 288 SG CYS A 18 -2.414 4.569 2.004 1.00 0.00 S ATOM 0 H CYS A 18 1.346 3.282 0.498 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.268 2.263 0.363 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.152 3.819 2.083 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.355 5.132 0.940 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.273 5.428 2.969 1.00 0.00 H new ATOM 294 N SER A 19 -0.742 4.751 -1.718 1.00 0.00 N ATOM 295 CA SER A 19 -1.322 5.404 -2.913 1.00 0.00 C ATOM 296 C SER A 19 -1.258 4.493 -4.138 1.00 0.00 C ATOM 297 O SER A 19 -1.981 4.689 -5.094 1.00 0.00 O ATOM 298 CB SER A 19 -0.511 6.675 -3.205 1.00 0.00 C ATOM 299 OG SER A 19 -1.323 7.404 -4.115 1.00 0.00 O ATOM 0 H SER A 19 0.175 5.094 -1.432 1.00 0.00 H new ATOM 0 HA SER A 19 -2.369 5.632 -2.712 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.322 7.245 -2.295 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.460 6.437 -3.640 1.00 0.00 H new ATOM 0 HG SER A 19 -1.786 6.780 -4.712 1.00 0.00 H new ATOM 305 N GLU A 20 -0.396 3.511 -4.088 1.00 0.00 N ATOM 306 CA GLU A 20 -0.272 2.584 -5.239 1.00 0.00 C ATOM 307 C GLU A 20 -1.408 1.566 -5.274 1.00 0.00 C ATOM 308 O GLU A 20 -2.050 1.397 -6.286 1.00 0.00 O ATOM 309 CB GLU A 20 1.071 1.824 -5.102 1.00 0.00 C ATOM 310 CG GLU A 20 1.126 0.639 -6.093 1.00 0.00 C ATOM 311 CD GLU A 20 0.656 1.089 -7.480 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.161 2.112 -7.917 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.176 0.384 -8.025 1.00 0.00 O ATOM 0 H GLU A 20 0.223 3.316 -3.301 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.314 3.167 -6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.901 2.504 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.186 1.458 -4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.143 0.252 -6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.496 -0.175 -5.734 1.00 0.00 H new ATOM 320 N TYR A 21 -1.617 0.890 -4.168 1.00 0.00 N ATOM 321 CA TYR A 21 -2.698 -0.123 -4.108 1.00 0.00 C ATOM 322 C TYR A 21 -4.036 0.484 -3.721 1.00 0.00 C ATOM 323 O TYR A 21 -4.923 -0.202 -3.277 1.00 0.00 O ATOM 324 CB TYR A 21 -2.282 -1.161 -3.050 1.00 0.00 C ATOM 325 CG TYR A 21 -1.255 -2.121 -3.647 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.089 -1.824 -3.594 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.657 -3.303 -4.235 1.00 0.00 C ATOM 328 CE1 TYR A 21 1.020 -2.694 -4.121 1.00 0.00 C ATOM 329 CE2 TYR A 21 -0.725 -4.177 -4.759 1.00 0.00 C ATOM 330 CZ TYR A 21 0.619 -3.878 -4.707 1.00 0.00 C ATOM 331 OH TYR A 21 1.550 -4.750 -5.235 1.00 0.00 O ATOM 0 H TYR A 21 -1.080 1.002 -3.308 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.828 -0.570 -5.094 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.861 -0.658 -2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.156 -1.715 -2.707 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.416 -0.902 -3.136 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.708 -3.546 -4.286 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.070 -2.447 -4.075 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.052 -5.101 -5.213 1.00 0.00 H new ATOM 0 HH TYR A 21 1.092 -5.533 -5.606 1.00 0.00 H new ATOM 341 N ARG A 22 -4.160 1.750 -3.905 1.00 0.00 N ATOM 342 CA ARG A 22 -5.446 2.412 -3.548 1.00 0.00 C ATOM 343 C ARG A 22 -6.592 2.075 -4.547 1.00 0.00 C ATOM 344 O ARG A 22 -7.730 1.932 -4.143 1.00 0.00 O ATOM 345 CB ARG A 22 -5.234 3.959 -3.510 1.00 0.00 C ATOM 346 CG ARG A 22 -6.228 4.595 -2.522 1.00 0.00 C ATOM 347 CD ARG A 22 -5.900 6.085 -2.374 1.00 0.00 C ATOM 348 NE ARG A 22 -4.588 6.224 -1.677 1.00 0.00 N ATOM 349 CZ ARG A 22 -4.003 7.390 -1.632 1.00 0.00 C ATOM 350 NH1 ARG A 22 -4.587 8.413 -2.196 1.00 0.00 N ATOM 351 NH2 ARG A 22 -2.853 7.497 -1.022 1.00 0.00 N ATOM 0 H ARG A 22 -3.439 2.363 -4.284 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.746 2.036 -2.570 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.211 4.188 -3.210 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.376 4.380 -4.505 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.249 4.468 -2.881 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.167 4.098 -1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.859 6.561 -3.354 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.683 6.589 -1.808 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.151 5.413 -1.239 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.486 8.294 -2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.144 9.331 -2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.426 6.677 -0.591 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.382 8.400 -0.977 1.00 0.00 H new ATOM 365 N PRO A 23 -6.273 1.952 -5.840 1.00 0.00 N ATOM 366 CA PRO A 23 -7.284 1.640 -6.852 1.00 0.00 C ATOM 367 C PRO A 23 -7.473 0.116 -7.025 1.00 0.00 C ATOM 368 O PRO A 23 -8.539 -0.338 -7.387 1.00 0.00 O ATOM 369 CB PRO A 23 -6.687 2.237 -8.158 1.00 0.00 C ATOM 370 CG PRO A 23 -5.149 2.404 -7.901 1.00 0.00 C ATOM 371 CD PRO A 23 -4.923 2.147 -6.385 1.00 0.00 C ATOM 0 HA PRO A 23 -8.262 2.040 -6.584 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.870 1.578 -9.006 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.148 3.196 -8.394 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.576 1.699 -8.503 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.816 3.404 -8.179 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.298 1.270 -6.220 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.421 2.990 -5.910 1.00 0.00 H new ATOM 379 N LYS A 24 -6.426 -0.635 -6.762 1.00 0.00 N ATOM 380 CA LYS A 24 -6.529 -2.101 -6.909 1.00 0.00 C ATOM 381 C LYS A 24 -7.623 -2.654 -6.020 1.00 0.00 C ATOM 382 O LYS A 24 -8.562 -3.256 -6.500 1.00 0.00 O ATOM 383 CB LYS A 24 -5.166 -2.732 -6.532 1.00 0.00 C ATOM 384 CG LYS A 24 -4.230 -2.643 -7.751 1.00 0.00 C ATOM 385 CD LYS A 24 -2.794 -2.952 -7.337 1.00 0.00 C ATOM 386 CE LYS A 24 -1.849 -2.556 -8.474 1.00 0.00 C ATOM 387 NZ LYS A 24 -2.341 -3.094 -9.775 1.00 0.00 N ATOM 0 H LYS A 24 -5.517 -0.288 -6.455 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.781 -2.345 -7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.730 -2.209 -5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.300 -3.772 -6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.554 -3.345 -8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.284 -1.646 -8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.539 -2.406 -6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.688 -4.013 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.772 -1.470 -8.529 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.848 -2.937 -8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.566 -3.089 -10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.680 -4.068 -9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.121 -2.500 -10.124 1.00 0.00 H new ATOM 401 N ILE A 25 -7.499 -2.448 -4.743 1.00 0.00 N ATOM 402 CA ILE A 25 -8.542 -2.965 -3.852 1.00 0.00 C ATOM 403 C ILE A 25 -9.823 -2.182 -4.101 1.00 0.00 C ATOM 404 O ILE A 25 -10.817 -2.733 -4.524 1.00 0.00 O ATOM 405 CB ILE A 25 -8.101 -2.788 -2.365 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.066 -1.652 -2.245 1.00 0.00 C ATOM 407 CG2 ILE A 25 -7.455 -4.113 -1.863 1.00 0.00 C ATOM 408 CD1 ILE A 25 -7.083 -1.089 -0.815 1.00 0.00 C ATOM 0 H ILE A 25 -6.731 -1.951 -4.292 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.707 -4.025 -4.048 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.976 -2.541 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.071 -2.025 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.293 -0.862 -2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.145 -3.996 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.182 -4.922 -1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.586 -4.349 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.351 -0.286 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.076 -0.700 -0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.835 -1.881 -0.109 1.00 0.00 H new ATOM 420 N LYS A 26 -9.762 -0.894 -3.863 1.00 0.00 N ATOM 421 CA LYS A 26 -10.955 -0.059 -4.077 1.00 0.00 C ATOM 422 C LYS A 26 -11.560 -0.378 -5.425 1.00 0.00 C ATOM 423 O LYS A 26 -12.746 -0.234 -5.633 1.00 0.00 O ATOM 424 CB LYS A 26 -10.527 1.417 -4.049 1.00 0.00 C ATOM 425 CG LYS A 26 -11.782 2.320 -3.983 1.00 0.00 C ATOM 426 CD LYS A 26 -12.273 2.436 -2.527 1.00 0.00 C ATOM 427 CE LYS A 26 -13.285 3.580 -2.430 1.00 0.00 C ATOM 428 NZ LYS A 26 -14.401 3.381 -3.397 1.00 0.00 N ATOM 0 H LYS A 26 -8.935 -0.398 -3.531 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.692 -0.254 -3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.886 1.604 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.943 1.654 -4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.549 3.309 -4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.572 1.905 -4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.732 1.500 -2.209 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.431 2.621 -1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.682 3.636 -1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.788 4.529 -2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.288 3.731 -2.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.199 3.905 -4.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.496 2.368 -3.614 1.00 0.00 H new ATOM 442 N GLY A 27 -10.724 -0.820 -6.322 1.00 0.00 N ATOM 443 CA GLY A 27 -11.224 -1.160 -7.661 1.00 0.00 C ATOM 444 C GLY A 27 -12.194 -2.314 -7.523 1.00 0.00 C ATOM 445 O GLY A 27 -13.344 -2.224 -7.902 1.00 0.00 O ATOM 0 H GLY A 27 -9.724 -0.956 -6.177 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.718 -0.300 -8.112 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.398 -1.434 -8.317 1.00 0.00 H new ATOM 449 N GLU A 28 -11.698 -3.387 -6.978 1.00 0.00 N ATOM 450 CA GLU A 28 -12.537 -4.564 -6.789 1.00 0.00 C ATOM 451 C GLU A 28 -13.424 -4.372 -5.566 1.00 0.00 C ATOM 452 O GLU A 28 -14.242 -5.212 -5.246 1.00 0.00 O ATOM 453 CB GLU A 28 -11.612 -5.760 -6.558 1.00 0.00 C ATOM 454 CG GLU A 28 -11.026 -6.205 -7.898 1.00 0.00 C ATOM 455 CD GLU A 28 -9.849 -7.148 -7.645 1.00 0.00 C ATOM 456 OE1 GLU A 28 -8.761 -6.622 -7.486 1.00 0.00 O ATOM 457 OE2 GLU A 28 -10.107 -8.340 -7.622 1.00 0.00 O ATOM 0 H GLU A 28 -10.735 -3.485 -6.657 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.170 -4.724 -7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.812 -5.489 -5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.165 -6.580 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.789 -6.708 -8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.696 -5.338 -8.470 1.00 0.00 H new ATOM 464 N HIS A 29 -13.232 -3.255 -4.895 1.00 0.00 N ATOM 465 CA HIS A 29 -14.041 -2.954 -3.683 1.00 0.00 C ATOM 466 C HIS A 29 -14.472 -1.476 -3.679 1.00 0.00 C ATOM 467 O HIS A 29 -14.048 -0.711 -2.839 1.00 0.00 O ATOM 468 CB HIS A 29 -13.145 -3.198 -2.452 1.00 0.00 C ATOM 469 CG HIS A 29 -13.041 -4.700 -2.179 1.00 0.00 C ATOM 470 ND1 HIS A 29 -13.676 -5.305 -1.293 1.00 0.00 N ATOM 471 CD2 HIS A 29 -12.258 -5.661 -2.792 1.00 0.00 C ATOM 472 CE1 HIS A 29 -13.392 -6.536 -1.274 1.00 0.00 C ATOM 473 NE2 HIS A 29 -12.489 -6.866 -2.198 1.00 0.00 N ATOM 0 H HIS A 29 -12.546 -2.542 -5.142 1.00 0.00 H new ATOM 0 HA HIS A 29 -14.930 -3.585 -3.669 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.153 -2.780 -2.624 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -13.559 -2.688 -1.582 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -11.574 -5.485 -3.609 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.832 -7.243 -0.586 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.080 -7.777 -2.405 1.00 0.00 H new ATOM 481 N PRO A 30 -15.315 -1.100 -4.629 1.00 0.00 N ATOM 482 CA PRO A 30 -15.781 0.277 -4.712 1.00 0.00 C ATOM 483 C PRO A 30 -16.677 0.627 -3.508 1.00 0.00 C ATOM 484 O PRO A 30 -17.888 0.635 -3.611 1.00 0.00 O ATOM 485 CB PRO A 30 -16.589 0.345 -6.054 1.00 0.00 C ATOM 486 CG PRO A 30 -16.710 -1.123 -6.590 1.00 0.00 C ATOM 487 CD PRO A 30 -15.843 -2.016 -5.665 1.00 0.00 C ATOM 0 HA PRO A 30 -14.959 0.992 -4.693 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.576 0.778 -5.889 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.080 0.980 -6.779 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -17.749 -1.453 -6.581 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.364 -1.187 -7.622 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.436 -2.815 -5.220 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.034 -2.491 -6.221 1.00 0.00 H new ATOM 495 N GLY A 31 -16.063 0.894 -2.381 1.00 0.00 N ATOM 496 CA GLY A 31 -16.881 1.242 -1.185 1.00 0.00 C ATOM 497 C GLY A 31 -16.055 1.174 0.109 1.00 0.00 C ATOM 498 O GLY A 31 -16.597 0.938 1.169 1.00 0.00 O ATOM 0 H GLY A 31 -15.053 0.886 -2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.290 2.246 -1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.728 0.559 -1.112 1.00 0.00 H new ATOM 502 N LEU A 32 -14.762 1.378 0.007 1.00 0.00 N ATOM 503 CA LEU A 32 -13.925 1.323 1.244 1.00 0.00 C ATOM 504 C LEU A 32 -13.890 2.663 1.942 1.00 0.00 C ATOM 505 O LEU A 32 -13.974 3.705 1.321 1.00 0.00 O ATOM 506 CB LEU A 32 -12.447 0.998 0.879 1.00 0.00 C ATOM 507 CG LEU A 32 -12.248 -0.442 0.336 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.772 -0.820 0.537 1.00 0.00 C ATOM 509 CD2 LEU A 32 -13.093 -1.449 1.105 1.00 0.00 C ATOM 0 H LEU A 32 -14.261 1.576 -0.859 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.366 0.560 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.100 1.711 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.824 1.134 1.763 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.543 -0.464 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.601 -1.830 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.140 -0.120 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.527 -0.779 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.929 -2.447 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.809 -1.435 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.147 -1.187 1.010 1.00 0.00 H new ATOM 521 N SER A 33 -13.771 2.602 3.237 1.00 0.00 N ATOM 522 CA SER A 33 -13.716 3.832 4.037 1.00 0.00 C ATOM 523 C SER A 33 -12.255 4.189 4.226 1.00 0.00 C ATOM 524 O SER A 33 -11.430 3.311 4.339 1.00 0.00 O ATOM 525 CB SER A 33 -14.351 3.558 5.411 1.00 0.00 C ATOM 526 OG SER A 33 -13.627 2.445 5.909 1.00 0.00 O ATOM 0 H SER A 33 -13.709 1.736 3.773 1.00 0.00 H new ATOM 0 HA SER A 33 -14.251 4.644 3.545 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.261 4.420 6.071 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.414 3.335 5.322 1.00 0.00 H new ATOM 0 HG SER A 33 -13.970 2.201 6.794 1.00 0.00 H new ATOM 532 N ILE A 34 -11.941 5.450 4.243 1.00 0.00 N ATOM 533 CA ILE A 34 -10.513 5.833 4.426 1.00 0.00 C ATOM 534 C ILE A 34 -9.860 4.996 5.525 1.00 0.00 C ATOM 535 O ILE A 34 -8.677 4.718 5.480 1.00 0.00 O ATOM 536 CB ILE A 34 -10.456 7.313 4.810 1.00 0.00 C ATOM 537 CG1 ILE A 34 -11.275 8.127 3.812 1.00 0.00 C ATOM 538 CG2 ILE A 34 -8.982 7.790 4.754 1.00 0.00 C ATOM 539 CD1 ILE A 34 -11.033 9.628 4.046 1.00 0.00 C ATOM 0 H ILE A 34 -12.598 6.224 4.140 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.971 5.655 3.497 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.858 7.448 5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.996 7.858 2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.335 7.898 3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.930 8.844 5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.384 7.205 5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.595 7.657 3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.619 10.207 3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.334 9.891 5.060 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.975 9.851 3.912 1.00 0.00 H new ATOM 551 N GLY A 35 -10.643 4.606 6.484 1.00 0.00 N ATOM 552 CA GLY A 35 -10.083 3.785 7.589 1.00 0.00 C ATOM 553 C GLY A 35 -9.830 2.347 7.098 1.00 0.00 C ATOM 554 O GLY A 35 -8.914 1.691 7.542 1.00 0.00 O ATOM 0 H GLY A 35 -11.639 4.817 6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.152 4.226 7.945 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.774 3.774 8.432 1.00 0.00 H new ATOM 558 N ASP A 36 -10.658 1.890 6.191 1.00 0.00 N ATOM 559 CA ASP A 36 -10.482 0.506 5.662 1.00 0.00 C ATOM 560 C ASP A 36 -9.411 0.461 4.624 1.00 0.00 C ATOM 561 O ASP A 36 -8.635 -0.462 4.562 1.00 0.00 O ATOM 562 CB ASP A 36 -11.791 0.060 4.989 1.00 0.00 C ATOM 563 CG ASP A 36 -11.800 -1.465 4.857 1.00 0.00 C ATOM 564 OD1 ASP A 36 -10.732 -2.031 5.029 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.874 -1.977 4.589 1.00 0.00 O ATOM 0 H ASP A 36 -11.441 2.412 5.798 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.213 -0.144 6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.647 0.390 5.578 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.883 0.522 4.006 1.00 0.00 H new ATOM 570 N VAL A 37 -9.393 1.454 3.820 1.00 0.00 N ATOM 571 CA VAL A 37 -8.384 1.499 2.772 1.00 0.00 C ATOM 572 C VAL A 37 -7.015 1.351 3.376 1.00 0.00 C ATOM 573 O VAL A 37 -6.386 0.321 3.282 1.00 0.00 O ATOM 574 CB VAL A 37 -8.467 2.885 2.095 1.00 0.00 C ATOM 575 CG1 VAL A 37 -7.322 3.021 1.097 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.804 3.037 1.369 1.00 0.00 C ATOM 0 H VAL A 37 -10.039 2.243 3.844 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.555 0.695 2.056 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.390 3.663 2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.374 3.997 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.370 2.924 1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.402 2.239 0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.852 4.018 0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.895 2.262 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.620 2.940 2.085 1.00 0.00 H new ATOM 586 N ALA A 38 -6.613 2.376 4.022 1.00 0.00 N ATOM 587 CA ALA A 38 -5.296 2.376 4.661 1.00 0.00 C ATOM 588 C ALA A 38 -5.038 1.088 5.458 1.00 0.00 C ATOM 589 O ALA A 38 -3.936 0.575 5.453 1.00 0.00 O ATOM 590 CB ALA A 38 -5.249 3.582 5.588 1.00 0.00 C ATOM 0 H ALA A 38 -7.150 3.235 4.139 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.521 2.427 3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.280 3.620 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.394 4.493 5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.038 3.498 6.335 1.00 0.00 H new ATOM 596 N LYS A 39 -6.050 0.577 6.122 1.00 0.00 N ATOM 597 CA LYS A 39 -5.836 -0.666 6.901 1.00 0.00 C ATOM 598 C LYS A 39 -5.567 -1.843 5.961 1.00 0.00 C ATOM 599 O LYS A 39 -4.576 -2.535 6.096 1.00 0.00 O ATOM 600 CB LYS A 39 -7.116 -0.947 7.755 1.00 0.00 C ATOM 601 CG LYS A 39 -6.931 -0.405 9.199 1.00 0.00 C ATOM 602 CD LYS A 39 -6.375 1.051 9.161 1.00 0.00 C ATOM 603 CE LYS A 39 -6.878 1.838 10.388 1.00 0.00 C ATOM 604 NZ LYS A 39 -6.286 1.285 11.640 1.00 0.00 N ATOM 0 H LYS A 39 -6.993 0.964 6.153 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.971 -0.545 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.982 -0.475 7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.314 -2.018 7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.884 -0.424 9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.247 -1.049 9.752 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.285 1.033 9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.694 1.547 8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.612 2.890 10.287 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.966 1.787 10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.608 1.847 12.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.588 0.297 11.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.248 1.325 11.580 1.00 0.00 H new ATOM 618 N LYS A 40 -6.450 -2.040 5.032 1.00 0.00 N ATOM 619 CA LYS A 40 -6.271 -3.157 4.075 1.00 0.00 C ATOM 620 C LYS A 40 -4.913 -3.055 3.410 1.00 0.00 C ATOM 621 O LYS A 40 -4.312 -4.041 3.054 1.00 0.00 O ATOM 622 CB LYS A 40 -7.369 -3.056 2.996 1.00 0.00 C ATOM 623 CG LYS A 40 -7.470 -4.395 2.225 1.00 0.00 C ATOM 624 CD LYS A 40 -8.849 -4.515 1.559 1.00 0.00 C ATOM 625 CE LYS A 40 -8.993 -5.930 0.959 1.00 0.00 C ATOM 626 NZ LYS A 40 -7.659 -6.478 0.575 1.00 0.00 N ATOM 0 H LYS A 40 -7.289 -1.476 4.893 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.339 -4.108 4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.327 -2.819 3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.140 -2.244 2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.686 -4.449 1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.313 -5.230 2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.637 -4.333 2.289 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.958 -3.762 0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.468 -6.591 1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.643 -5.895 0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.788 -7.301 -0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.115 -5.747 0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.144 -6.768 1.430 1.00 0.00 H new ATOM 640 N LEU A 41 -4.474 -1.857 3.207 1.00 0.00 N ATOM 641 CA LEU A 41 -3.155 -1.675 2.568 1.00 0.00 C ATOM 642 C LEU A 41 -2.074 -2.003 3.541 1.00 0.00 C ATOM 643 O LEU A 41 -1.119 -2.677 3.215 1.00 0.00 O ATOM 644 CB LEU A 41 -3.006 -0.205 2.141 1.00 0.00 C ATOM 645 CG LEU A 41 -4.039 0.110 1.058 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.885 1.587 0.602 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.848 -0.854 -0.156 1.00 0.00 C ATOM 0 H LEU A 41 -4.967 -0.999 3.454 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.079 -2.332 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.149 0.452 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.999 -0.023 1.764 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.041 -0.033 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.622 1.808 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.041 2.249 1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.883 1.742 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.587 -0.624 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.847 -0.727 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.977 -1.885 0.174 1.00 0.00 H new ATOM 659 N GLY A 42 -2.232 -1.525 4.721 1.00 0.00 N ATOM 660 CA GLY A 42 -1.218 -1.800 5.734 1.00 0.00 C ATOM 661 C GLY A 42 -1.095 -3.314 5.911 1.00 0.00 C ATOM 662 O GLY A 42 -0.093 -3.813 6.385 1.00 0.00 O ATOM 0 H GLY A 42 -3.021 -0.955 5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.260 -1.376 5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.492 -1.331 6.679 1.00 0.00 H new ATOM 666 N GLU A 43 -2.136 -4.013 5.515 1.00 0.00 N ATOM 667 CA GLU A 43 -2.130 -5.481 5.637 1.00 0.00 C ATOM 668 C GLU A 43 -1.329 -6.106 4.496 1.00 0.00 C ATOM 669 O GLU A 43 -0.330 -6.759 4.725 1.00 0.00 O ATOM 670 CB GLU A 43 -3.598 -5.963 5.564 1.00 0.00 C ATOM 671 CG GLU A 43 -4.246 -5.831 6.949 1.00 0.00 C ATOM 672 CD GLU A 43 -3.666 -6.887 7.894 1.00 0.00 C ATOM 673 OE1 GLU A 43 -3.068 -7.813 7.373 1.00 0.00 O ATOM 674 OE2 GLU A 43 -3.856 -6.708 9.086 1.00 0.00 O ATOM 0 H GLU A 43 -2.985 -3.615 5.113 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.669 -5.777 6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.151 -5.372 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.636 -7.000 5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.068 -4.833 7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.326 -5.955 6.869 1.00 0.00 H new ATOM 681 N MET A 44 -1.780 -5.895 3.281 1.00 0.00 N ATOM 682 CA MET A 44 -1.045 -6.474 2.122 1.00 0.00 C ATOM 683 C MET A 44 0.422 -6.148 2.245 1.00 0.00 C ATOM 684 O MET A 44 1.273 -6.997 2.088 1.00 0.00 O ATOM 685 CB MET A 44 -1.597 -5.841 0.828 1.00 0.00 C ATOM 686 CG MET A 44 -2.878 -6.572 0.427 1.00 0.00 C ATOM 687 SD MET A 44 -3.789 -5.926 -0.989 1.00 0.00 S ATOM 688 CE MET A 44 -4.017 -4.248 -0.357 1.00 0.00 C ATOM 0 H MET A 44 -2.613 -5.354 3.049 1.00 0.00 H new ATOM 0 HA MET A 44 -1.175 -7.556 2.100 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.800 -4.782 0.984 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.858 -5.910 0.030 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.623 -7.611 0.218 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.548 -6.575 1.287 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.794 -3.745 -0.932 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.312 -4.291 0.691 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.082 -3.695 -0.448 1.00 0.00 H new ATOM 698 N TRP A 45 0.686 -4.914 2.524 1.00 0.00 N ATOM 699 CA TRP A 45 2.082 -4.474 2.675 1.00 0.00 C ATOM 700 C TRP A 45 2.810 -5.405 3.611 1.00 0.00 C ATOM 701 O TRP A 45 3.759 -6.061 3.243 1.00 0.00 O ATOM 702 CB TRP A 45 2.035 -3.089 3.300 1.00 0.00 C ATOM 703 CG TRP A 45 3.425 -2.642 3.714 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.822 -2.552 4.965 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.328 -2.184 2.897 1.00 0.00 C ATOM 706 NE1 TRP A 45 5.031 -1.995 4.875 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.433 -1.724 3.583 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.266 -2.069 1.534 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.467 -1.148 2.898 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.301 -1.491 0.847 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.399 -1.027 1.530 1.00 0.00 C ATOM 0 H TRP A 45 -0.015 -4.185 2.655 1.00 0.00 H new ATOM 0 HA TRP A 45 2.596 -4.468 1.714 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.615 -2.377 2.589 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.376 -3.098 4.168 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.293 -2.857 5.856 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.608 -1.788 5.690 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.401 -2.434 1.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.335 -0.789 3.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.254 -1.400 -0.228 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.212 -0.565 0.990 1.00 0.00 H new ATOM 722 N ASN A 46 2.355 -5.427 4.815 1.00 0.00 N ATOM 723 CA ASN A 46 2.991 -6.308 5.818 1.00 0.00 C ATOM 724 C ASN A 46 3.212 -7.697 5.228 1.00 0.00 C ATOM 725 O ASN A 46 4.194 -8.352 5.511 1.00 0.00 O ATOM 726 CB ASN A 46 2.033 -6.429 7.014 1.00 0.00 C ATOM 727 CG ASN A 46 2.174 -5.196 7.904 1.00 0.00 C ATOM 728 OD1 ASN A 46 3.239 -4.628 8.035 1.00 0.00 O ATOM 729 ND2 ASN A 46 1.123 -4.750 8.530 1.00 0.00 N ATOM 0 H ASN A 46 1.568 -4.873 5.154 1.00 0.00 H new ATOM 0 HA ASN A 46 3.952 -5.892 6.122 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.005 -6.522 6.663 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.258 -7.330 7.584 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.196 -3.927 9.127 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.226 -5.224 8.423 1.00 0.00 H new ATOM 736 N ASN A 47 2.279 -8.111 4.413 1.00 0.00 N ATOM 737 CA ASN A 47 2.385 -9.444 3.777 1.00 0.00 C ATOM 738 C ASN A 47 3.222 -9.389 2.494 1.00 0.00 C ATOM 739 O ASN A 47 3.694 -10.402 2.018 1.00 0.00 O ATOM 740 CB ASN A 47 0.964 -9.916 3.425 1.00 0.00 C ATOM 741 CG ASN A 47 0.127 -10.016 4.707 1.00 0.00 C ATOM 742 OD1 ASN A 47 -0.980 -9.329 4.798 1.00 0.00 O flip ATOM 743 ND2 ASN A 47 0.473 -10.721 5.634 1.00 0.00 N flip ATOM 0 H ASN A 47 1.447 -7.577 4.163 1.00 0.00 H new ATOM 0 HA ASN A 47 2.874 -10.129 4.470 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.500 -9.218 2.728 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.004 -10.885 2.927 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.336 -11.260 5.570 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.100 -10.774 6.476 1.00 0.00 H new ATOM 750 N THR A 48 3.391 -8.205 1.954 1.00 0.00 N ATOM 751 CA THR A 48 4.193 -8.076 0.703 1.00 0.00 C ATOM 752 C THR A 48 5.596 -8.637 0.900 1.00 0.00 C ATOM 753 O THR A 48 6.301 -8.252 1.811 1.00 0.00 O ATOM 754 CB THR A 48 4.305 -6.583 0.343 1.00 0.00 C ATOM 755 OG1 THR A 48 2.978 -6.150 0.116 1.00 0.00 O ATOM 756 CG2 THR A 48 5.013 -6.387 -1.014 1.00 0.00 C ATOM 0 H THR A 48 3.012 -7.333 2.323 1.00 0.00 H new ATOM 0 HA THR A 48 3.699 -8.634 -0.093 1.00 0.00 H new ATOM 0 HB THR A 48 4.845 -6.059 1.131 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.382 -6.564 0.774 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.077 -5.323 -1.241 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.017 -6.809 -0.965 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.446 -6.891 -1.796 1.00 0.00 H new ATOM 764 N ALA A 49 5.977 -9.540 0.038 1.00 0.00 N ATOM 765 CA ALA A 49 7.327 -10.139 0.154 1.00 0.00 C ATOM 766 C ALA A 49 8.389 -9.061 0.388 1.00 0.00 C ATOM 767 O ALA A 49 8.225 -7.928 -0.014 1.00 0.00 O ATOM 768 CB ALA A 49 7.633 -10.883 -1.163 1.00 0.00 C ATOM 0 H ALA A 49 5.411 -9.885 -0.737 1.00 0.00 H new ATOM 0 HA ALA A 49 7.348 -10.822 1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.623 -11.334 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.888 -11.662 -1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.604 -10.178 -1.994 1.00 0.00 H new ATOM 774 N ALA A 50 9.454 -9.435 1.040 1.00 0.00 N ATOM 775 CA ALA A 50 10.525 -8.452 1.306 1.00 0.00 C ATOM 776 C ALA A 50 11.138 -7.947 0.001 1.00 0.00 C ATOM 777 O ALA A 50 11.273 -6.757 -0.206 1.00 0.00 O ATOM 778 CB ALA A 50 11.620 -9.140 2.145 1.00 0.00 C ATOM 0 H ALA A 50 9.623 -10.376 1.396 1.00 0.00 H new ATOM 0 HA ALA A 50 10.103 -7.601 1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.420 -8.429 2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.193 -9.489 3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.022 -9.989 1.592 1.00 0.00 H new ATOM 784 N ASP A 51 11.502 -8.863 -0.855 1.00 0.00 N ATOM 785 CA ASP A 51 12.104 -8.462 -2.144 1.00 0.00 C ATOM 786 C ASP A 51 11.146 -7.588 -2.953 1.00 0.00 C ATOM 787 O ASP A 51 11.563 -6.846 -3.820 1.00 0.00 O ATOM 788 CB ASP A 51 12.416 -9.734 -2.949 1.00 0.00 C ATOM 789 CG ASP A 51 13.580 -10.479 -2.289 1.00 0.00 C ATOM 790 OD1 ASP A 51 13.536 -10.586 -1.075 1.00 0.00 O ATOM 791 OD2 ASP A 51 14.449 -10.899 -3.037 1.00 0.00 O ATOM 0 H ASP A 51 11.406 -9.868 -0.712 1.00 0.00 H new ATOM 0 HA ASP A 51 13.009 -7.888 -1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.536 -10.376 -2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.671 -9.474 -3.976 1.00 0.00 H new ATOM 796 N ASP A 52 9.878 -7.690 -2.653 1.00 0.00 N ATOM 797 CA ASP A 52 8.878 -6.873 -3.395 1.00 0.00 C ATOM 798 C ASP A 52 8.816 -5.445 -2.854 1.00 0.00 C ATOM 799 O ASP A 52 8.226 -4.576 -3.462 1.00 0.00 O ATOM 800 CB ASP A 52 7.504 -7.530 -3.216 1.00 0.00 C ATOM 801 CG ASP A 52 7.426 -8.785 -4.089 1.00 0.00 C ATOM 802 OD1 ASP A 52 8.377 -9.547 -4.028 1.00 0.00 O ATOM 803 OD2 ASP A 52 6.419 -8.913 -4.767 1.00 0.00 O ATOM 0 H ASP A 52 9.495 -8.300 -1.931 1.00 0.00 H new ATOM 0 HA ASP A 52 9.165 -6.827 -4.445 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.346 -7.791 -2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.715 -6.831 -3.493 1.00 0.00 H new ATOM 808 N LYS A 53 9.412 -5.234 -1.710 1.00 0.00 N ATOM 809 CA LYS A 53 9.402 -3.866 -1.108 1.00 0.00 C ATOM 810 C LYS A 53 10.546 -3.015 -1.657 1.00 0.00 C ATOM 811 O LYS A 53 10.594 -1.819 -1.456 1.00 0.00 O ATOM 812 CB LYS A 53 9.589 -4.018 0.407 1.00 0.00 C ATOM 813 CG LYS A 53 8.287 -4.542 1.029 1.00 0.00 C ATOM 814 CD LYS A 53 8.366 -4.406 2.554 1.00 0.00 C ATOM 815 CE LYS A 53 7.033 -4.854 3.179 1.00 0.00 C ATOM 816 NZ LYS A 53 6.881 -4.281 4.545 1.00 0.00 N ATOM 0 H LYS A 53 9.903 -5.945 -1.168 1.00 0.00 H new ATOM 0 HA LYS A 53 8.460 -3.375 -1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.408 -4.706 0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.857 -3.059 0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.435 -3.980 0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.132 -5.585 0.753 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.184 -5.013 2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.579 -3.372 2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.203 -4.534 2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.995 -5.942 3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.528 -5.015 5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.803 -3.937 4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.206 -3.491 4.517 1.00 0.00 H new ATOM 830 N GLN A 54 11.439 -3.659 -2.336 1.00 0.00 N ATOM 831 CA GLN A 54 12.598 -2.945 -2.919 1.00 0.00 C ATOM 832 C GLN A 54 12.200 -1.633 -3.671 1.00 0.00 C ATOM 833 O GLN A 54 12.736 -0.592 -3.392 1.00 0.00 O ATOM 834 CB GLN A 54 13.305 -3.926 -3.901 1.00 0.00 C ATOM 835 CG GLN A 54 14.647 -4.401 -3.311 1.00 0.00 C ATOM 836 CD GLN A 54 14.410 -5.022 -1.928 1.00 0.00 C ATOM 837 OE1 GLN A 54 13.215 -5.444 -1.616 1.00 0.00 O flip ATOM 838 NE2 GLN A 54 15.312 -5.129 -1.123 1.00 0.00 N flip ATOM 0 H GLN A 54 11.417 -4.663 -2.515 1.00 0.00 H new ATOM 0 HA GLN A 54 13.257 -2.637 -2.108 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.661 -4.784 -4.094 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.475 -3.433 -4.858 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.109 -5.132 -3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.338 -3.562 -3.230 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.248 -4.801 -1.360 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.134 -5.547 -0.210 1.00 0.00 H new ATOM 847 N PRO A 55 11.277 -1.707 -4.625 1.00 0.00 N ATOM 848 CA PRO A 55 10.875 -0.507 -5.353 1.00 0.00 C ATOM 849 C PRO A 55 10.492 0.639 -4.425 1.00 0.00 C ATOM 850 O PRO A 55 10.878 1.767 -4.636 1.00 0.00 O ATOM 851 CB PRO A 55 9.633 -0.947 -6.189 1.00 0.00 C ATOM 852 CG PRO A 55 9.537 -2.505 -6.087 1.00 0.00 C ATOM 853 CD PRO A 55 10.584 -2.953 -5.034 1.00 0.00 C ATOM 0 HA PRO A 55 11.697 -0.132 -5.962 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.726 -0.480 -5.806 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.738 -0.635 -7.228 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.534 -2.811 -5.789 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.738 -2.968 -7.053 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.105 -3.436 -4.182 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.285 -3.674 -5.456 1.00 0.00 H new ATOM 861 N TYR A 56 9.764 0.321 -3.420 1.00 0.00 N ATOM 862 CA TYR A 56 9.338 1.373 -2.467 1.00 0.00 C ATOM 863 C TYR A 56 10.490 1.921 -1.642 1.00 0.00 C ATOM 864 O TYR A 56 10.778 3.099 -1.698 1.00 0.00 O ATOM 865 CB TYR A 56 8.293 0.770 -1.543 1.00 0.00 C ATOM 866 CG TYR A 56 7.059 0.451 -2.367 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.264 1.462 -2.824 1.00 0.00 C ATOM 868 CD2 TYR A 56 6.720 -0.848 -2.647 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.133 1.190 -3.548 1.00 0.00 C ATOM 870 CE2 TYR A 56 5.588 -1.133 -3.372 1.00 0.00 C ATOM 871 CZ TYR A 56 4.782 -0.116 -3.831 1.00 0.00 C ATOM 872 OH TYR A 56 3.651 -0.396 -4.558 1.00 0.00 O ATOM 0 H TYR A 56 9.439 -0.622 -3.207 1.00 0.00 H new ATOM 0 HA TYR A 56 8.936 2.210 -3.037 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.679 -0.134 -1.071 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.046 1.467 -0.742 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.529 2.487 -2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.348 -1.653 -2.295 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.512 2.001 -3.899 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.329 -2.160 -3.583 1.00 0.00 H new ATOM 0 HH TYR A 56 3.682 -1.326 -4.866 1.00 0.00 H new ATOM 882 N GLU A 57 11.134 1.081 -0.891 1.00 0.00 N ATOM 883 CA GLU A 57 12.262 1.595 -0.076 1.00 0.00 C ATOM 884 C GLU A 57 13.254 2.293 -0.985 1.00 0.00 C ATOM 885 O GLU A 57 13.790 3.337 -0.664 1.00 0.00 O ATOM 886 CB GLU A 57 12.935 0.403 0.650 1.00 0.00 C ATOM 887 CG GLU A 57 13.827 -0.374 -0.311 1.00 0.00 C ATOM 888 CD GLU A 57 14.220 -1.708 0.324 1.00 0.00 C ATOM 889 OE1 GLU A 57 13.329 -2.325 0.884 1.00 0.00 O ATOM 890 OE2 GLU A 57 15.390 -2.036 0.213 1.00 0.00 O ATOM 0 H GLU A 57 10.936 0.084 -0.805 1.00 0.00 H new ATOM 0 HA GLU A 57 11.904 2.309 0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.527 0.768 1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.172 -0.258 1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.303 -0.547 -1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.719 0.206 -0.545 1.00 0.00 H new ATOM 897 N LYS A 58 13.463 1.688 -2.100 1.00 0.00 N ATOM 898 CA LYS A 58 14.403 2.254 -3.089 1.00 0.00 C ATOM 899 C LYS A 58 13.921 3.620 -3.563 1.00 0.00 C ATOM 900 O LYS A 58 14.677 4.571 -3.594 1.00 0.00 O ATOM 901 CB LYS A 58 14.467 1.294 -4.303 1.00 0.00 C ATOM 902 CG LYS A 58 15.409 1.863 -5.384 1.00 0.00 C ATOM 903 CD LYS A 58 16.815 2.095 -4.787 1.00 0.00 C ATOM 904 CE LYS A 58 17.862 2.067 -5.914 1.00 0.00 C ATOM 905 NZ LYS A 58 17.302 2.661 -7.163 1.00 0.00 N ATOM 0 H LYS A 58 13.019 0.813 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 58 15.385 2.369 -2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.820 0.314 -3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.469 1.154 -4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.471 1.172 -6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.009 2.801 -5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.848 3.054 -4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.040 1.326 -4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.750 2.620 -5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.176 1.040 -6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.080 2.993 -7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.749 1.942 -7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.686 3.463 -6.920 1.00 0.00 H new ATOM 919 N LYS A 59 12.667 3.693 -3.924 1.00 0.00 N ATOM 920 CA LYS A 59 12.126 4.985 -4.396 1.00 0.00 C ATOM 921 C LYS A 59 12.387 6.049 -3.366 1.00 0.00 C ATOM 922 O LYS A 59 12.954 7.084 -3.650 1.00 0.00 O ATOM 923 CB LYS A 59 10.606 4.847 -4.573 1.00 0.00 C ATOM 924 CG LYS A 59 10.073 6.088 -5.295 1.00 0.00 C ATOM 925 CD LYS A 59 8.612 5.852 -5.693 1.00 0.00 C ATOM 926 CE LYS A 59 7.967 7.196 -6.056 1.00 0.00 C ATOM 927 NZ LYS A 59 6.608 6.984 -6.631 1.00 0.00 N ATOM 0 H LYS A 59 12.005 2.917 -3.910 1.00 0.00 H new ATOM 0 HA LYS A 59 12.602 5.257 -5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.374 3.949 -5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.122 4.739 -3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.149 6.961 -4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.675 6.295 -6.180 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.559 5.168 -6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.069 5.384 -4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.899 7.825 -5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.594 7.725 -6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.185 7.903 -6.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.681 6.402 -7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.008 6.499 -5.934 1.00 0.00 H new ATOM 941 N ALA A 60 11.960 5.773 -2.181 1.00 0.00 N ATOM 942 CA ALA A 60 12.161 6.741 -1.091 1.00 0.00 C ATOM 943 C ALA A 60 13.615 7.219 -1.049 1.00 0.00 C ATOM 944 O ALA A 60 13.887 8.375 -0.772 1.00 0.00 O ATOM 945 CB ALA A 60 11.819 6.045 0.240 1.00 0.00 C ATOM 0 H ALA A 60 11.477 4.913 -1.919 1.00 0.00 H new ATOM 0 HA ALA A 60 11.519 7.607 -1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.961 6.745 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.781 5.713 0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.473 5.184 0.379 1.00 0.00 H new