USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=13 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 180:sc= -0.162 USER MOD Single : A 18 CYS SG : rot 180:sc= -4.74! USER MOD Single : A 19 SER OG : rot 180:sc= 0.125 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -144:sc=0.000334 (180deg=-1.27) USER MOD Single : A 29 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.047) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.223) USER MOD Single : A 40 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0945) USER MOD Single : A 44 MET CE :methyl -135:sc= -0.0603 (180deg=-0.472) USER MOD Single : A 46 ASN : amide:sc= -2.93 K(o=-2.9,f=-0.86) USER MOD Single : A 47 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.5) USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.885 USER MOD Single : A 53 LYS NZ :NH3+ -156:sc= 0.472 (180deg=-0.122) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -136:sc= -0.142 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 5.212 6.996 4.203 1.00 0.00 N ATOM 184 CA SER A 12 5.797 5.688 4.646 1.00 0.00 C ATOM 185 C SER A 12 6.084 4.769 3.461 1.00 0.00 C ATOM 186 O SER A 12 5.596 4.981 2.370 1.00 0.00 O ATOM 187 CB SER A 12 4.782 4.995 5.568 1.00 0.00 C ATOM 188 OG SER A 12 5.523 3.942 6.164 1.00 0.00 O ATOM 0 HA SER A 12 6.738 5.885 5.160 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.390 5.682 6.318 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.928 4.615 5.007 1.00 0.00 H new ATOM 0 HG SER A 12 4.945 3.442 6.777 1.00 0.00 H new ATOM 194 N ALA A 13 6.879 3.759 3.705 1.00 0.00 N ATOM 195 CA ALA A 13 7.215 2.814 2.619 1.00 0.00 C ATOM 196 C ALA A 13 5.971 2.203 2.051 1.00 0.00 C ATOM 197 O ALA A 13 5.758 2.188 0.855 1.00 0.00 O ATOM 198 CB ALA A 13 8.068 1.671 3.202 1.00 0.00 C ATOM 0 H ALA A 13 7.305 3.555 4.609 1.00 0.00 H new ATOM 0 HA ALA A 13 7.750 3.356 1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.323 0.967 2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.982 2.081 3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.503 1.155 3.979 1.00 0.00 H new ATOM 204 N PHE A 14 5.165 1.709 2.927 1.00 0.00 N ATOM 205 CA PHE A 14 3.909 1.076 2.491 1.00 0.00 C ATOM 206 C PHE A 14 2.909 2.124 1.986 1.00 0.00 C ATOM 207 O PHE A 14 1.826 1.794 1.551 1.00 0.00 O ATOM 208 CB PHE A 14 3.350 0.251 3.699 1.00 0.00 C ATOM 209 CG PHE A 14 1.916 0.633 4.074 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.620 1.913 4.461 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.912 -0.316 4.046 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.332 2.253 4.820 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.368 0.020 4.401 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.660 1.305 4.789 1.00 0.00 C ATOM 0 H PHE A 14 5.323 1.716 3.935 1.00 0.00 H new ATOM 0 HA PHE A 14 4.087 0.407 1.649 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.385 -0.810 3.454 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.997 0.400 4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.399 2.660 4.485 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.137 -1.328 3.743 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.105 3.264 5.125 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.148 -0.726 4.376 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.669 1.569 5.069 1.00 0.00 H new ATOM 224 N PHE A 15 3.250 3.370 2.116 1.00 0.00 N ATOM 225 CA PHE A 15 2.311 4.405 1.631 1.00 0.00 C ATOM 226 C PHE A 15 2.488 4.484 0.151 1.00 0.00 C ATOM 227 O PHE A 15 1.552 4.623 -0.600 1.00 0.00 O ATOM 228 CB PHE A 15 2.667 5.755 2.243 1.00 0.00 C ATOM 229 CG PHE A 15 1.559 6.745 1.894 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.427 6.835 2.683 1.00 0.00 C ATOM 231 CD2 PHE A 15 1.650 7.530 0.761 1.00 0.00 C ATOM 232 CE1 PHE A 15 -0.595 7.694 2.342 1.00 0.00 C ATOM 233 CE2 PHE A 15 0.625 8.388 0.422 1.00 0.00 C ATOM 234 CZ PHE A 15 -0.495 8.469 1.213 1.00 0.00 C ATOM 0 H PHE A 15 4.119 3.710 2.528 1.00 0.00 H new ATOM 0 HA PHE A 15 1.285 4.157 1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.771 5.666 3.324 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.625 6.106 1.859 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.343 6.228 3.572 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.529 7.471 0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.476 7.758 2.964 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.703 8.997 -0.467 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.297 9.142 0.947 1.00 0.00 H new ATOM 244 N LEU A 16 3.717 4.395 -0.236 1.00 0.00 N ATOM 245 CA LEU A 16 4.037 4.450 -1.650 1.00 0.00 C ATOM 246 C LEU A 16 3.421 3.247 -2.304 1.00 0.00 C ATOM 247 O LEU A 16 3.213 3.205 -3.500 1.00 0.00 O ATOM 248 CB LEU A 16 5.558 4.381 -1.777 1.00 0.00 C ATOM 249 CG LEU A 16 6.185 5.516 -0.959 1.00 0.00 C ATOM 250 CD1 LEU A 16 7.712 5.367 -0.988 1.00 0.00 C ATOM 251 CD2 LEU A 16 5.777 6.871 -1.566 1.00 0.00 C ATOM 0 H LEU A 16 4.517 4.285 0.387 1.00 0.00 H new ATOM 0 HA LEU A 16 3.662 5.360 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.921 3.417 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.852 4.466 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 16 5.835 5.470 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.167 6.170 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.992 4.406 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.063 5.419 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.222 7.679 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.128 6.929 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.691 6.966 -1.547 1.00 0.00 H new ATOM 263 N PHE A 17 3.130 2.281 -1.478 1.00 0.00 N ATOM 264 CA PHE A 17 2.522 1.043 -1.970 1.00 0.00 C ATOM 265 C PHE A 17 1.026 1.293 -2.108 1.00 0.00 C ATOM 266 O PHE A 17 0.384 0.796 -3.003 1.00 0.00 O ATOM 267 CB PHE A 17 2.826 -0.014 -0.911 1.00 0.00 C ATOM 268 CG PHE A 17 2.021 -1.269 -1.103 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.774 -1.379 -0.523 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.576 -2.365 -1.735 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.094 -2.568 -0.565 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.889 -3.554 -1.776 1.00 0.00 C ATOM 273 CZ PHE A 17 0.650 -3.652 -1.185 1.00 0.00 C ATOM 0 H PHE A 17 3.295 2.310 -0.472 1.00 0.00 H new ATOM 0 HA PHE A 17 2.901 0.716 -2.938 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.888 -0.259 -0.941 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.622 0.397 0.078 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.332 -0.524 -0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.549 -2.287 -2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.881 -2.649 -0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.321 -4.411 -2.272 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.115 -4.590 -1.211 1.00 0.00 H new ATOM 283 N CYS A 18 0.501 2.072 -1.189 1.00 0.00 N ATOM 284 CA CYS A 18 -0.941 2.394 -1.227 1.00 0.00 C ATOM 285 C CYS A 18 -1.318 2.880 -2.620 1.00 0.00 C ATOM 286 O CYS A 18 -2.234 2.379 -3.228 1.00 0.00 O ATOM 287 CB CYS A 18 -1.191 3.547 -0.216 1.00 0.00 C ATOM 288 SG CYS A 18 -2.898 3.936 0.238 1.00 0.00 S ATOM 0 H CYS A 18 1.019 2.493 -0.418 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.533 1.513 -0.978 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.650 3.309 0.700 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.742 4.452 -0.626 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.908 4.919 1.089 1.00 0.00 H new ATOM 294 N SER A 19 -0.579 3.851 -3.095 1.00 0.00 N ATOM 295 CA SER A 19 -0.847 4.408 -4.432 1.00 0.00 C ATOM 296 C SER A 19 -0.913 3.312 -5.484 1.00 0.00 C ATOM 297 O SER A 19 -1.567 3.458 -6.498 1.00 0.00 O ATOM 298 CB SER A 19 0.313 5.358 -4.776 1.00 0.00 C ATOM 299 OG SER A 19 0.652 5.944 -3.533 1.00 0.00 O ATOM 0 H SER A 19 0.204 4.278 -2.600 1.00 0.00 H new ATOM 0 HA SER A 19 -1.806 4.925 -4.424 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.157 4.819 -5.207 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.011 6.111 -5.504 1.00 0.00 H new ATOM 0 HG SER A 19 1.394 6.571 -3.659 1.00 0.00 H new ATOM 305 N GLU A 20 -0.226 2.233 -5.227 1.00 0.00 N ATOM 306 CA GLU A 20 -0.225 1.110 -6.192 1.00 0.00 C ATOM 307 C GLU A 20 -1.381 0.143 -5.916 1.00 0.00 C ATOM 308 O GLU A 20 -2.151 -0.169 -6.801 1.00 0.00 O ATOM 309 CB GLU A 20 1.126 0.362 -6.048 1.00 0.00 C ATOM 310 CG GLU A 20 1.095 -0.949 -6.840 1.00 0.00 C ATOM 311 CD GLU A 20 0.625 -0.675 -8.273 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.137 0.277 -8.837 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.220 -1.433 -8.720 1.00 0.00 O ATOM 0 H GLU A 20 0.334 2.085 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.352 1.498 -7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.939 0.993 -6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.325 0.155 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.087 -1.401 -6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.426 -1.661 -6.357 1.00 0.00 H new ATOM 320 N TYR A 21 -1.484 -0.316 -4.689 1.00 0.00 N ATOM 321 CA TYR A 21 -2.578 -1.261 -4.338 1.00 0.00 C ATOM 322 C TYR A 21 -3.840 -0.545 -3.897 1.00 0.00 C ATOM 323 O TYR A 21 -4.652 -1.104 -3.188 1.00 0.00 O ATOM 324 CB TYR A 21 -2.069 -2.159 -3.194 1.00 0.00 C ATOM 325 CG TYR A 21 -1.228 -3.286 -3.776 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.100 -3.083 -4.062 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.789 -4.519 -4.020 1.00 0.00 C ATOM 328 CE1 TYR A 21 0.867 -4.102 -4.588 1.00 0.00 C ATOM 329 CE2 TYR A 21 -1.027 -5.542 -4.546 1.00 0.00 C ATOM 330 CZ TYR A 21 0.309 -5.342 -4.834 1.00 0.00 C ATOM 331 OH TYR A 21 1.077 -6.364 -5.352 1.00 0.00 O ATOM 0 H TYR A 21 -0.856 -0.074 -3.922 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.837 -1.843 -5.222 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.476 -1.573 -2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.911 -2.569 -2.636 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.547 -2.118 -3.874 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.833 -4.687 -3.798 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.910 -3.929 -4.809 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.478 -6.505 -4.734 1.00 0.00 H new ATOM 0 HH TYR A 21 0.524 -7.166 -5.461 1.00 0.00 H new ATOM 341 N ARG A 22 -3.994 0.669 -4.315 1.00 0.00 N ATOM 342 CA ARG A 22 -5.216 1.417 -3.915 1.00 0.00 C ATOM 343 C ARG A 22 -6.425 1.011 -4.799 1.00 0.00 C ATOM 344 O ARG A 22 -7.455 0.635 -4.279 1.00 0.00 O ATOM 345 CB ARG A 22 -4.958 2.968 -4.013 1.00 0.00 C ATOM 346 CG ARG A 22 -4.961 3.594 -2.594 1.00 0.00 C ATOM 347 CD ARG A 22 -4.997 5.119 -2.717 1.00 0.00 C ATOM 348 NE ARG A 22 -4.192 5.523 -3.900 1.00 0.00 N ATOM 349 CZ ARG A 22 -4.302 6.730 -4.369 1.00 0.00 C ATOM 350 NH1 ARG A 22 -5.122 7.561 -3.790 1.00 0.00 N ATOM 351 NH2 ARG A 22 -3.577 7.068 -5.399 1.00 0.00 N ATOM 0 H ARG A 22 -3.339 1.177 -4.910 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.453 1.164 -2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.002 3.156 -4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.727 3.435 -4.628 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.825 3.242 -2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.073 3.282 -2.044 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.025 5.465 -2.824 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.598 5.580 -1.814 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.557 4.857 -4.341 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.666 7.261 -2.981 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.220 8.512 -4.146 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.941 6.391 -5.819 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.646 8.010 -5.785 1.00 0.00 H new ATOM 365 N PRO A 23 -6.282 1.088 -6.134 1.00 0.00 N ATOM 366 CA PRO A 23 -7.385 0.718 -7.020 1.00 0.00 C ATOM 367 C PRO A 23 -7.689 -0.782 -6.910 1.00 0.00 C ATOM 368 O PRO A 23 -8.819 -1.196 -7.025 1.00 0.00 O ATOM 369 CB PRO A 23 -6.885 1.064 -8.459 1.00 0.00 C ATOM 370 CG PRO A 23 -5.378 1.456 -8.336 1.00 0.00 C ATOM 371 CD PRO A 23 -5.048 1.533 -6.822 1.00 0.00 C ATOM 0 HA PRO A 23 -8.304 1.246 -6.765 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.008 0.211 -9.126 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.464 1.885 -8.882 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.747 0.718 -8.831 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.188 2.414 -8.821 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.203 0.892 -6.570 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.777 2.547 -6.529 1.00 0.00 H new ATOM 379 N LYS A 24 -6.663 -1.563 -6.685 1.00 0.00 N ATOM 380 CA LYS A 24 -6.872 -3.023 -6.566 1.00 0.00 C ATOM 381 C LYS A 24 -8.012 -3.317 -5.607 1.00 0.00 C ATOM 382 O LYS A 24 -8.883 -4.116 -5.892 1.00 0.00 O ATOM 383 CB LYS A 24 -5.583 -3.654 -6.009 1.00 0.00 C ATOM 384 CG LYS A 24 -4.448 -3.538 -7.048 1.00 0.00 C ATOM 385 CD LYS A 24 -4.573 -4.653 -8.102 1.00 0.00 C ATOM 386 CE LYS A 24 -3.298 -4.681 -8.953 1.00 0.00 C ATOM 387 NZ LYS A 24 -3.525 -5.454 -10.205 1.00 0.00 N ATOM 0 H LYS A 24 -5.698 -1.248 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.116 -3.434 -7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.294 -3.154 -5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.757 -4.702 -5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.488 -2.563 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.481 -3.606 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.722 -5.617 -7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.444 -4.478 -8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.994 -3.663 -9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.484 -5.129 -8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.652 -5.464 -10.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.794 -6.430 -9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.288 -5.009 -10.754 1.00 0.00 H new ATOM 401 N ILE A 25 -7.982 -2.658 -4.477 1.00 0.00 N ATOM 402 CA ILE A 25 -9.045 -2.860 -3.457 1.00 0.00 C ATOM 403 C ILE A 25 -10.134 -1.797 -3.626 1.00 0.00 C ATOM 404 O ILE A 25 -11.294 -2.117 -3.802 1.00 0.00 O ATOM 405 CB ILE A 25 -8.405 -2.733 -2.027 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.021 -2.078 -2.118 1.00 0.00 C ATOM 407 CG2 ILE A 25 -8.228 -4.145 -1.424 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.478 -1.751 -0.690 1.00 0.00 C ATOM 0 H ILE A 25 -7.260 -1.985 -4.219 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.490 -3.847 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.060 -2.123 -1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.329 -2.745 -2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.082 -1.164 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.784 -4.064 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.200 -4.633 -1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.575 -4.736 -2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.495 -1.287 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.162 -1.066 -0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.397 -2.671 -0.112 1.00 0.00 H new ATOM 420 N LYS A 26 -9.738 -0.550 -3.568 1.00 0.00 N ATOM 421 CA LYS A 26 -10.731 0.532 -3.724 1.00 0.00 C ATOM 422 C LYS A 26 -11.543 0.286 -4.982 1.00 0.00 C ATOM 423 O LYS A 26 -12.674 0.715 -5.096 1.00 0.00 O ATOM 424 CB LYS A 26 -9.971 1.874 -3.849 1.00 0.00 C ATOM 425 CG LYS A 26 -10.965 3.056 -3.895 1.00 0.00 C ATOM 426 CD LYS A 26 -11.424 3.421 -2.469 1.00 0.00 C ATOM 427 CE LYS A 26 -12.263 4.717 -2.513 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.205 5.420 -1.205 1.00 0.00 N ATOM 0 H LYS A 26 -8.776 -0.246 -3.420 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.402 0.561 -2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.292 1.994 -3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.360 1.870 -4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.494 3.919 -4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.828 2.792 -4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.014 2.608 -2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.558 3.558 -1.821 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.891 5.372 -3.301 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.298 4.479 -2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.126 5.861 -1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.979 4.737 -0.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.470 6.155 -1.238 1.00 0.00 H new ATOM 442 N GLY A 27 -10.948 -0.420 -5.903 1.00 0.00 N ATOM 443 CA GLY A 27 -11.662 -0.713 -7.164 1.00 0.00 C ATOM 444 C GLY A 27 -12.909 -1.509 -6.841 1.00 0.00 C ATOM 445 O GLY A 27 -14.014 -1.098 -7.128 1.00 0.00 O ATOM 0 H GLY A 27 -10.005 -0.802 -5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.926 0.214 -7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.019 -1.276 -7.841 1.00 0.00 H new ATOM 449 N GLU A 28 -12.697 -2.638 -6.242 1.00 0.00 N ATOM 450 CA GLU A 28 -13.822 -3.488 -5.877 1.00 0.00 C ATOM 451 C GLU A 28 -14.597 -2.836 -4.732 1.00 0.00 C ATOM 452 O GLU A 28 -15.662 -3.283 -4.354 1.00 0.00 O ATOM 453 CB GLU A 28 -13.249 -4.846 -5.411 1.00 0.00 C ATOM 454 CG GLU A 28 -13.001 -5.743 -6.633 1.00 0.00 C ATOM 455 CD GLU A 28 -14.325 -6.351 -7.099 1.00 0.00 C ATOM 456 OE1 GLU A 28 -15.342 -5.842 -6.659 1.00 0.00 O ATOM 457 OE2 GLU A 28 -14.243 -7.294 -7.869 1.00 0.00 O ATOM 0 H GLU A 28 -11.777 -3.002 -5.992 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.495 -3.627 -6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.319 -4.692 -4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.945 -5.331 -4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.552 -5.162 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.295 -6.534 -6.379 1.00 0.00 H new ATOM 464 N HIS A 29 -14.024 -1.769 -4.204 1.00 0.00 N ATOM 465 CA HIS A 29 -14.669 -1.034 -3.081 1.00 0.00 C ATOM 466 C HIS A 29 -14.602 0.486 -3.320 1.00 0.00 C ATOM 467 O HIS A 29 -13.856 1.177 -2.661 1.00 0.00 O ATOM 468 CB HIS A 29 -13.861 -1.339 -1.820 1.00 0.00 C ATOM 469 CG HIS A 29 -13.974 -2.822 -1.467 1.00 0.00 C ATOM 470 ND1 HIS A 29 -14.750 -3.295 -0.613 1.00 0.00 N ATOM 471 CD2 HIS A 29 -13.280 -3.901 -1.974 1.00 0.00 C ATOM 472 CE1 HIS A 29 -14.629 -4.552 -0.522 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.705 -5.035 -1.355 1.00 0.00 N ATOM 0 H HIS A 29 -13.132 -1.382 -4.512 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.712 -1.339 -2.994 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.815 -1.073 -1.976 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.224 -0.732 -0.991 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.520 -3.853 -2.740 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.208 -5.164 0.153 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.399 -5.998 -1.491 1.00 0.00 H new ATOM 481 N PRO A 30 -15.386 0.979 -4.271 1.00 0.00 N ATOM 482 CA PRO A 30 -15.397 2.414 -4.579 1.00 0.00 C ATOM 483 C PRO A 30 -16.015 3.230 -3.420 1.00 0.00 C ATOM 484 O PRO A 30 -17.085 3.792 -3.544 1.00 0.00 O ATOM 485 CB PRO A 30 -16.258 2.532 -5.883 1.00 0.00 C ATOM 486 CG PRO A 30 -16.860 1.111 -6.166 1.00 0.00 C ATOM 487 CD PRO A 30 -16.280 0.145 -5.097 1.00 0.00 C ATOM 0 HA PRO A 30 -14.392 2.814 -4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.051 3.268 -5.756 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.645 2.865 -6.721 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -17.948 1.136 -6.111 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.599 0.776 -7.170 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.073 -0.299 -4.495 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.735 -0.676 -5.562 1.00 0.00 H new ATOM 495 N GLY A 31 -15.317 3.274 -2.315 1.00 0.00 N ATOM 496 CA GLY A 31 -15.844 4.043 -1.151 1.00 0.00 C ATOM 497 C GLY A 31 -15.156 3.614 0.149 1.00 0.00 C ATOM 498 O GLY A 31 -15.747 3.670 1.210 1.00 0.00 O ATOM 0 H GLY A 31 -14.417 2.817 -2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -15.688 5.109 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -16.920 3.888 -1.065 1.00 0.00 H new ATOM 502 N LEU A 32 -13.919 3.194 0.051 1.00 0.00 N ATOM 503 CA LEU A 32 -13.210 2.767 1.287 1.00 0.00 C ATOM 504 C LEU A 32 -12.915 3.959 2.167 1.00 0.00 C ATOM 505 O LEU A 32 -12.818 5.077 1.704 1.00 0.00 O ATOM 506 CB LEU A 32 -11.817 2.151 0.925 1.00 0.00 C ATOM 507 CG LEU A 32 -11.904 0.703 0.413 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.462 0.154 0.352 1.00 0.00 C ATOM 509 CD2 LEU A 32 -12.716 -0.172 1.386 1.00 0.00 C ATOM 0 H LEU A 32 -13.382 3.130 -0.814 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.852 2.046 1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.341 2.770 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.176 2.179 1.806 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.392 0.684 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.479 -0.875 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.868 0.766 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.019 0.183 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.765 -1.192 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.234 -0.173 2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.725 0.229 1.480 1.00 0.00 H new ATOM 521 N SER A 33 -12.773 3.692 3.434 1.00 0.00 N ATOM 522 CA SER A 33 -12.476 4.772 4.375 1.00 0.00 C ATOM 523 C SER A 33 -10.978 4.866 4.494 1.00 0.00 C ATOM 524 O SER A 33 -10.302 3.855 4.530 1.00 0.00 O ATOM 525 CB SER A 33 -13.061 4.429 5.749 1.00 0.00 C ATOM 526 OG SER A 33 -14.465 4.478 5.556 1.00 0.00 O ATOM 0 H SER A 33 -12.853 2.763 3.848 1.00 0.00 H new ATOM 0 HA SER A 33 -12.905 5.712 4.028 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.740 3.442 6.083 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.739 5.142 6.508 1.00 0.00 H new ATOM 0 HG SER A 33 -14.919 4.266 6.398 1.00 0.00 H new ATOM 532 N ILE A 34 -10.467 6.050 4.547 1.00 0.00 N ATOM 533 CA ILE A 34 -8.992 6.190 4.661 1.00 0.00 C ATOM 534 C ILE A 34 -8.442 5.224 5.698 1.00 0.00 C ATOM 535 O ILE A 34 -7.295 4.829 5.644 1.00 0.00 O ATOM 536 CB ILE A 34 -8.679 7.624 5.071 1.00 0.00 C ATOM 537 CG1 ILE A 34 -9.359 8.588 4.086 1.00 0.00 C ATOM 538 CG2 ILE A 34 -7.147 7.840 5.002 1.00 0.00 C ATOM 539 CD1 ILE A 34 -8.978 10.038 4.418 1.00 0.00 C ATOM 0 H ILE A 34 -10.994 6.923 4.517 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.526 5.959 3.703 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.041 7.809 6.083 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.059 8.349 3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.441 8.468 4.136 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.910 8.863 5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.651 7.146 5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.800 7.663 3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.465 10.713 3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.301 10.276 5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.897 10.156 4.345 1.00 0.00 H new ATOM 551 N GLY A 35 -9.274 4.861 6.620 1.00 0.00 N ATOM 552 CA GLY A 35 -8.822 3.915 7.671 1.00 0.00 C ATOM 553 C GLY A 35 -8.764 2.495 7.088 1.00 0.00 C ATOM 554 O GLY A 35 -7.866 1.741 7.386 1.00 0.00 O ATOM 0 H GLY A 35 -10.242 5.173 6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.840 4.208 8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.505 3.944 8.520 1.00 0.00 H new ATOM 558 N ASP A 36 -9.727 2.175 6.250 1.00 0.00 N ATOM 559 CA ASP A 36 -9.754 0.821 5.633 1.00 0.00 C ATOM 560 C ASP A 36 -8.681 0.677 4.589 1.00 0.00 C ATOM 561 O ASP A 36 -7.988 -0.318 4.525 1.00 0.00 O ATOM 562 CB ASP A 36 -11.118 0.639 4.933 1.00 0.00 C ATOM 563 CG ASP A 36 -11.418 -0.854 4.780 1.00 0.00 C ATOM 564 OD1 ASP A 36 -11.976 -1.395 5.721 1.00 0.00 O ATOM 565 OD2 ASP A 36 -11.069 -1.371 3.731 1.00 0.00 O ATOM 0 H ASP A 36 -10.488 2.795 5.973 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.592 0.079 6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.904 1.121 5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.104 1.120 3.955 1.00 0.00 H new ATOM 570 N VAL A 37 -8.568 1.677 3.790 1.00 0.00 N ATOM 571 CA VAL A 37 -7.558 1.652 2.730 1.00 0.00 C ATOM 572 C VAL A 37 -6.221 1.279 3.299 1.00 0.00 C ATOM 573 O VAL A 37 -5.664 0.251 2.986 1.00 0.00 O ATOM 574 CB VAL A 37 -7.465 3.079 2.145 1.00 0.00 C ATOM 575 CG1 VAL A 37 -6.345 3.128 1.093 1.00 0.00 C ATOM 576 CG2 VAL A 37 -8.806 3.452 1.513 1.00 0.00 C ATOM 0 H VAL A 37 -9.140 2.521 3.827 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.833 0.924 1.967 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.235 3.792 2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.278 4.134 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.396 2.864 1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.566 2.421 0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.746 4.458 1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.042 2.746 0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.588 3.418 2.272 1.00 0.00 H new ATOM 586 N ALA A 38 -5.761 2.103 4.153 1.00 0.00 N ATOM 587 CA ALA A 38 -4.464 1.865 4.784 1.00 0.00 C ATOM 588 C ALA A 38 -4.413 0.536 5.562 1.00 0.00 C ATOM 589 O ALA A 38 -3.397 -0.130 5.567 1.00 0.00 O ATOM 590 CB ALA A 38 -4.218 3.031 5.721 1.00 0.00 C ATOM 0 H ALA A 38 -6.237 2.954 4.452 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.695 1.788 4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.257 2.901 6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.208 3.960 5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.011 3.072 6.467 1.00 0.00 H new ATOM 596 N LYS A 39 -5.500 0.167 6.202 1.00 0.00 N ATOM 597 CA LYS A 39 -5.484 -1.114 6.963 1.00 0.00 C ATOM 598 C LYS A 39 -5.277 -2.308 6.024 1.00 0.00 C ATOM 599 O LYS A 39 -4.273 -2.987 6.090 1.00 0.00 O ATOM 600 CB LYS A 39 -6.854 -1.262 7.722 1.00 0.00 C ATOM 601 CG LYS A 39 -6.652 -0.990 9.234 1.00 0.00 C ATOM 602 CD LYS A 39 -6.312 0.507 9.454 1.00 0.00 C ATOM 603 CE LYS A 39 -5.485 0.669 10.740 1.00 0.00 C ATOM 604 NZ LYS A 39 -6.174 0.031 11.898 1.00 0.00 N ATOM 0 H LYS A 39 -6.377 0.688 6.228 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.657 -1.099 7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.584 -0.564 7.312 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.255 -2.265 7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.555 -1.253 9.785 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.849 -1.616 9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.754 0.892 8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.229 1.091 9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.501 0.219 10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.326 1.728 10.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.753 0.375 12.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.185 0.274 11.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.065 -1.002 11.841 1.00 0.00 H new ATOM 618 N LYS A 40 -6.229 -2.533 5.178 1.00 0.00 N ATOM 619 CA LYS A 40 -6.117 -3.667 4.228 1.00 0.00 C ATOM 620 C LYS A 40 -4.789 -3.625 3.512 1.00 0.00 C ATOM 621 O LYS A 40 -4.171 -4.636 3.282 1.00 0.00 O ATOM 622 CB LYS A 40 -7.238 -3.538 3.196 1.00 0.00 C ATOM 623 CG LYS A 40 -8.593 -3.748 3.892 1.00 0.00 C ATOM 624 CD LYS A 40 -9.694 -4.012 2.831 1.00 0.00 C ATOM 625 CE LYS A 40 -9.768 -5.515 2.520 1.00 0.00 C ATOM 626 NZ LYS A 40 -10.469 -5.746 1.225 1.00 0.00 N ATOM 0 H LYS A 40 -7.083 -1.981 5.100 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.193 -4.607 4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.205 -2.555 2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.105 -4.274 2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.531 -4.589 4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.848 -2.869 4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.658 -3.660 3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.476 -3.453 1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.762 -5.933 2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.293 -6.033 3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.927 -6.680 1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.189 -5.009 1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.780 -5.710 0.446 1.00 0.00 H new ATOM 640 N LEU A 41 -4.370 -2.464 3.146 1.00 0.00 N ATOM 641 CA LEU A 41 -3.080 -2.389 2.450 1.00 0.00 C ATOM 642 C LEU A 41 -2.014 -2.922 3.348 1.00 0.00 C ATOM 643 O LEU A 41 -1.018 -3.455 2.903 1.00 0.00 O ATOM 644 CB LEU A 41 -2.748 -0.920 2.137 1.00 0.00 C ATOM 645 CG LEU A 41 -3.618 -0.417 0.993 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.552 1.104 0.971 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.079 -0.948 -0.348 1.00 0.00 C ATOM 0 H LEU A 41 -4.854 -1.579 3.295 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.134 -2.967 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.909 -0.306 3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.695 -0.826 1.871 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.643 -0.761 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.170 1.483 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.919 1.498 1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.520 1.421 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.706 -0.584 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.057 -0.598 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.092 -2.038 -0.339 1.00 0.00 H new ATOM 659 N GLY A 42 -2.243 -2.768 4.608 1.00 0.00 N ATOM 660 CA GLY A 42 -1.266 -3.251 5.575 1.00 0.00 C ATOM 661 C GLY A 42 -1.203 -4.775 5.526 1.00 0.00 C ATOM 662 O GLY A 42 -0.168 -5.367 5.757 1.00 0.00 O ATOM 0 H GLY A 42 -3.072 -2.325 5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.285 -2.830 5.356 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.538 -2.921 6.577 1.00 0.00 H new ATOM 666 N GLU A 43 -2.324 -5.383 5.219 1.00 0.00 N ATOM 667 CA GLU A 43 -2.359 -6.851 5.146 1.00 0.00 C ATOM 668 C GLU A 43 -1.547 -7.327 3.941 1.00 0.00 C ATOM 669 O GLU A 43 -0.666 -8.153 4.074 1.00 0.00 O ATOM 670 CB GLU A 43 -3.850 -7.290 5.004 1.00 0.00 C ATOM 671 CG GLU A 43 -4.436 -7.557 6.402 1.00 0.00 C ATOM 672 CD GLU A 43 -5.952 -7.746 6.293 1.00 0.00 C ATOM 673 OE1 GLU A 43 -6.630 -6.737 6.381 1.00 0.00 O ATOM 674 OE2 GLU A 43 -6.346 -8.891 6.133 1.00 0.00 O ATOM 0 H GLU A 43 -3.208 -4.914 5.019 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.925 -7.291 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.424 -6.513 4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.920 -8.188 4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.978 -8.446 6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.210 -6.724 7.068 1.00 0.00 H new ATOM 681 N MET A 44 -1.858 -6.799 2.786 1.00 0.00 N ATOM 682 CA MET A 44 -1.105 -7.218 1.579 1.00 0.00 C ATOM 683 C MET A 44 0.364 -6.849 1.731 1.00 0.00 C ATOM 684 O MET A 44 1.237 -7.676 1.560 1.00 0.00 O ATOM 685 CB MET A 44 -1.701 -6.492 0.343 1.00 0.00 C ATOM 686 CG MET A 44 -2.962 -7.236 -0.098 1.00 0.00 C ATOM 687 SD MET A 44 -3.960 -6.494 -1.413 1.00 0.00 S ATOM 688 CE MET A 44 -4.454 -4.998 -0.521 1.00 0.00 C ATOM 0 H MET A 44 -2.591 -6.106 2.632 1.00 0.00 H new ATOM 0 HA MET A 44 -1.185 -8.298 1.451 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.939 -5.457 0.590 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.973 -6.467 -0.468 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.666 -8.233 -0.424 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.600 -7.362 0.777 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.519 -4.821 -0.670 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.252 -5.125 0.543 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.888 -4.146 -0.898 1.00 0.00 H new ATOM 698 N TRP A 45 0.609 -5.614 2.055 1.00 0.00 N ATOM 699 CA TRP A 45 2.013 -5.167 2.229 1.00 0.00 C ATOM 700 C TRP A 45 2.750 -6.121 3.128 1.00 0.00 C ATOM 701 O TRP A 45 3.767 -6.674 2.767 1.00 0.00 O ATOM 702 CB TRP A 45 1.975 -3.801 2.899 1.00 0.00 C ATOM 703 CG TRP A 45 3.377 -3.360 3.318 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.773 -3.275 4.575 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.290 -2.886 2.506 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.978 -2.709 4.495 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.386 -2.424 3.213 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.255 -2.756 1.139 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.429 -1.830 2.551 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.305 -2.161 0.478 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.388 -1.695 1.187 1.00 0.00 C ATOM 0 H TRP A 45 -0.100 -4.897 2.206 1.00 0.00 H new ATOM 0 HA TRP A 45 2.518 -5.127 1.264 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.548 -3.068 2.215 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.325 -3.838 3.773 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.244 -3.591 5.462 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.549 -2.505 5.315 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.404 -3.121 0.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.283 -1.468 3.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.279 -2.060 -0.597 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.208 -1.222 0.668 1.00 0.00 H new ATOM 722 N ASN A 46 2.229 -6.281 4.298 1.00 0.00 N ATOM 723 CA ASN A 46 2.869 -7.196 5.261 1.00 0.00 C ATOM 724 C ASN A 46 3.141 -8.542 4.594 1.00 0.00 C ATOM 725 O ASN A 46 4.167 -9.155 4.812 1.00 0.00 O ATOM 726 CB ASN A 46 1.898 -7.409 6.441 1.00 0.00 C ATOM 727 CG ASN A 46 2.028 -6.248 7.433 1.00 0.00 C ATOM 728 OD1 ASN A 46 2.096 -6.446 8.629 1.00 0.00 O ATOM 729 ND2 ASN A 46 2.068 -5.024 6.980 1.00 0.00 N ATOM 0 H ASN A 46 1.384 -5.816 4.631 1.00 0.00 H new ATOM 0 HA ASN A 46 3.811 -6.771 5.607 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.874 -7.474 6.074 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.118 -8.353 6.940 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.156 -4.242 7.629 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.011 -4.849 5.977 1.00 0.00 H new ATOM 736 N ASN A 47 2.207 -8.971 3.792 1.00 0.00 N ATOM 737 CA ASN A 47 2.375 -10.265 3.097 1.00 0.00 C ATOM 738 C ASN A 47 3.359 -10.139 1.936 1.00 0.00 C ATOM 739 O ASN A 47 3.856 -11.127 1.430 1.00 0.00 O ATOM 740 CB ASN A 47 1.007 -10.697 2.541 1.00 0.00 C ATOM 741 CG ASN A 47 0.039 -10.944 3.701 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.417 -11.438 4.744 1.00 0.00 O ATOM 743 ND2 ASN A 47 -1.217 -10.617 3.559 1.00 0.00 N ATOM 0 H ASN A 47 1.337 -8.478 3.592 1.00 0.00 H new ATOM 0 HA ASN A 47 2.763 -10.999 3.803 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.611 -9.925 1.881 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.115 -11.603 1.944 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.875 -10.777 4.322 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.540 -10.202 2.685 1.00 0.00 H new ATOM 750 N THR A 48 3.620 -8.924 1.536 1.00 0.00 N ATOM 751 CA THR A 48 4.569 -8.704 0.411 1.00 0.00 C ATOM 752 C THR A 48 5.994 -9.060 0.821 1.00 0.00 C ATOM 753 O THR A 48 6.494 -8.584 1.821 1.00 0.00 O ATOM 754 CB THR A 48 4.520 -7.217 0.025 1.00 0.00 C ATOM 755 OG1 THR A 48 3.147 -6.907 -0.074 1.00 0.00 O ATOM 756 CG2 THR A 48 5.073 -6.985 -1.398 1.00 0.00 C ATOM 0 H THR A 48 3.218 -8.078 1.939 1.00 0.00 H new ATOM 0 HA THR A 48 4.282 -9.339 -0.427 1.00 0.00 H new ATOM 0 HB THR A 48 5.089 -6.633 0.748 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.033 -6.095 -0.611 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.024 -5.923 -1.639 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.109 -7.320 -1.445 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.477 -7.548 -2.116 1.00 0.00 H new ATOM 764 N ALA A 49 6.626 -9.893 0.035 1.00 0.00 N ATOM 765 CA ALA A 49 8.018 -10.296 0.356 1.00 0.00 C ATOM 766 C ALA A 49 8.865 -9.087 0.760 1.00 0.00 C ATOM 767 O ALA A 49 8.459 -7.955 0.592 1.00 0.00 O ATOM 768 CB ALA A 49 8.633 -10.937 -0.898 1.00 0.00 C ATOM 0 H ALA A 49 6.236 -10.308 -0.811 1.00 0.00 H new ATOM 0 HA ALA A 49 8.001 -10.996 1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.658 -11.242 -0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.047 -11.810 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.631 -10.215 -1.714 1.00 0.00 H new ATOM 774 N ALA A 50 10.036 -9.357 1.289 1.00 0.00 N ATOM 775 CA ALA A 50 10.923 -8.253 1.711 1.00 0.00 C ATOM 776 C ALA A 50 11.582 -7.585 0.509 1.00 0.00 C ATOM 777 O ALA A 50 11.543 -6.382 0.365 1.00 0.00 O ATOM 778 CB ALA A 50 12.021 -8.835 2.613 1.00 0.00 C ATOM 0 H ALA A 50 10.405 -10.295 1.442 1.00 0.00 H new ATOM 0 HA ALA A 50 10.330 -7.506 2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.688 -8.036 2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.565 -9.302 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.591 -9.581 2.058 1.00 0.00 H new ATOM 784 N ASP A 51 12.185 -8.382 -0.329 1.00 0.00 N ATOM 785 CA ASP A 51 12.851 -7.813 -1.522 1.00 0.00 C ATOM 786 C ASP A 51 11.886 -6.951 -2.321 1.00 0.00 C ATOM 787 O ASP A 51 12.294 -6.147 -3.134 1.00 0.00 O ATOM 788 CB ASP A 51 13.326 -8.976 -2.409 1.00 0.00 C ATOM 789 CG ASP A 51 14.543 -9.643 -1.764 1.00 0.00 C ATOM 790 OD1 ASP A 51 14.823 -9.286 -0.629 1.00 0.00 O ATOM 791 OD2 ASP A 51 15.126 -10.475 -2.439 1.00 0.00 O ATOM 0 H ASP A 51 12.243 -9.396 -0.236 1.00 0.00 H new ATOM 0 HA ASP A 51 13.689 -7.193 -1.202 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.524 -9.703 -2.535 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.583 -8.609 -3.403 1.00 0.00 H new ATOM 796 N ASP A 52 10.616 -7.137 -2.075 1.00 0.00 N ATOM 797 CA ASP A 52 9.595 -6.338 -2.810 1.00 0.00 C ATOM 798 C ASP A 52 9.368 -4.979 -2.138 1.00 0.00 C ATOM 799 O ASP A 52 8.891 -4.053 -2.763 1.00 0.00 O ATOM 800 CB ASP A 52 8.276 -7.136 -2.805 1.00 0.00 C ATOM 801 CG ASP A 52 8.314 -8.190 -3.920 1.00 0.00 C ATOM 802 OD1 ASP A 52 9.034 -9.157 -3.729 1.00 0.00 O ATOM 803 OD2 ASP A 52 7.623 -7.967 -4.899 1.00 0.00 O ATOM 0 H ASP A 52 10.244 -7.805 -1.400 1.00 0.00 H new ATOM 0 HA ASP A 52 9.942 -6.156 -3.827 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.134 -7.618 -1.838 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.431 -6.464 -2.953 1.00 0.00 H new ATOM 808 N LYS A 53 9.711 -4.883 -0.879 1.00 0.00 N ATOM 809 CA LYS A 53 9.519 -3.593 -0.163 1.00 0.00 C ATOM 810 C LYS A 53 10.684 -2.659 -0.444 1.00 0.00 C ATOM 811 O LYS A 53 10.604 -1.467 -0.220 1.00 0.00 O ATOM 812 CB LYS A 53 9.462 -3.884 1.341 1.00 0.00 C ATOM 813 CG LYS A 53 8.202 -4.701 1.632 1.00 0.00 C ATOM 814 CD LYS A 53 7.999 -4.808 3.144 1.00 0.00 C ATOM 815 CE LYS A 53 6.835 -5.767 3.425 1.00 0.00 C ATOM 816 NZ LYS A 53 6.363 -5.616 4.828 1.00 0.00 N ATOM 0 H LYS A 53 10.112 -5.637 -0.322 1.00 0.00 H new ATOM 0 HA LYS A 53 8.598 -3.119 -0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.350 -4.433 1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.448 -2.952 1.906 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.335 -4.228 1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.292 -5.696 1.196 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.909 -5.171 3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.788 -3.825 3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.015 -5.565 2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.153 -6.795 3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.893 -6.492 5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.175 -5.426 5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.691 -4.824 4.885 1.00 0.00 H new ATOM 830 N GLN A 54 11.749 -3.225 -0.934 1.00 0.00 N ATOM 831 CA GLN A 54 12.939 -2.416 -1.248 1.00 0.00 C ATOM 832 C GLN A 54 12.628 -1.298 -2.285 1.00 0.00 C ATOM 833 O GLN A 54 12.829 -0.151 -2.015 1.00 0.00 O ATOM 834 CB GLN A 54 14.042 -3.379 -1.791 1.00 0.00 C ATOM 835 CG GLN A 54 15.111 -3.615 -0.708 1.00 0.00 C ATOM 836 CD GLN A 54 15.948 -4.840 -1.078 1.00 0.00 C ATOM 837 OE1 GLN A 54 16.107 -5.755 -0.296 1.00 0.00 O ATOM 838 NE2 GLN A 54 16.504 -4.895 -2.255 1.00 0.00 N ATOM 0 H GLN A 54 11.839 -4.222 -1.129 1.00 0.00 H new ATOM 0 HA GLN A 54 13.279 -1.911 -0.344 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.595 -4.328 -2.086 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.503 -2.953 -2.682 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.751 -2.738 -0.616 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.635 -3.765 0.261 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.374 -4.130 -2.917 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.069 -5.704 -2.515 1.00 0.00 H new ATOM 847 N PRO A 55 12.140 -1.645 -3.461 1.00 0.00 N ATOM 848 CA PRO A 55 11.836 -0.622 -4.455 1.00 0.00 C ATOM 849 C PRO A 55 11.075 0.545 -3.836 1.00 0.00 C ATOM 850 O PRO A 55 11.325 1.690 -4.143 1.00 0.00 O ATOM 851 CB PRO A 55 10.951 -1.349 -5.507 1.00 0.00 C ATOM 852 CG PRO A 55 11.035 -2.882 -5.196 1.00 0.00 C ATOM 853 CD PRO A 55 11.835 -3.029 -3.874 1.00 0.00 C ATOM 0 HA PRO A 55 12.742 -0.197 -4.888 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.920 -1.000 -5.451 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.303 -1.141 -6.517 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.038 -3.311 -5.094 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.530 -3.415 -6.008 1.00 0.00 H new ATOM 0 HD2 PRO A 55 11.251 -3.549 -3.114 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.747 -3.606 -4.026 1.00 0.00 H new ATOM 861 N TYR A 56 10.171 0.220 -2.979 1.00 0.00 N ATOM 862 CA TYR A 56 9.367 1.276 -2.318 1.00 0.00 C ATOM 863 C TYR A 56 10.191 2.113 -1.347 1.00 0.00 C ATOM 864 O TYR A 56 10.134 3.328 -1.380 1.00 0.00 O ATOM 865 CB TYR A 56 8.241 0.597 -1.546 1.00 0.00 C ATOM 866 CG TYR A 56 7.221 0.073 -2.540 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.384 0.944 -3.176 1.00 0.00 C ATOM 868 CD2 TYR A 56 7.118 -1.268 -2.799 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.442 0.495 -4.060 1.00 0.00 C ATOM 870 CE2 TYR A 56 6.179 -1.738 -3.688 1.00 0.00 C ATOM 871 CZ TYR A 56 5.327 -0.856 -4.331 1.00 0.00 C ATOM 872 OH TYR A 56 4.379 -1.315 -5.221 1.00 0.00 O ATOM 0 H TYR A 56 9.947 -0.736 -2.701 1.00 0.00 H new ATOM 0 HA TYR A 56 8.987 1.947 -3.088 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.635 -0.220 -0.942 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.773 1.303 -0.860 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.467 2.003 -2.978 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.779 -1.962 -2.301 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.785 1.199 -4.549 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.106 -2.797 -3.885 1.00 0.00 H new ATOM 0 HH TYR A 56 4.441 -2.291 -5.291 1.00 0.00 H new ATOM 882 N GLU A 57 10.946 1.467 -0.499 1.00 0.00 N ATOM 883 CA GLU A 57 11.754 2.247 0.455 1.00 0.00 C ATOM 884 C GLU A 57 12.781 3.044 -0.317 1.00 0.00 C ATOM 885 O GLU A 57 13.064 4.193 -0.021 1.00 0.00 O ATOM 886 CB GLU A 57 12.413 1.247 1.462 1.00 0.00 C ATOM 887 CG GLU A 57 13.758 0.712 0.953 1.00 0.00 C ATOM 888 CD GLU A 57 14.853 1.766 1.156 1.00 0.00 C ATOM 889 OE1 GLU A 57 14.502 2.823 1.653 1.00 0.00 O ATOM 890 OE2 GLU A 57 15.978 1.453 0.800 1.00 0.00 O ATOM 0 H GLU A 57 11.032 0.453 -0.432 1.00 0.00 H new ATOM 0 HA GLU A 57 11.146 2.953 1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.561 1.744 2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.735 0.412 1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.019 -0.203 1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.680 0.455 -0.104 1.00 0.00 H new ATOM 897 N LYS A 58 13.299 2.412 -1.300 1.00 0.00 N ATOM 898 CA LYS A 58 14.306 3.060 -2.143 1.00 0.00 C ATOM 899 C LYS A 58 13.692 4.258 -2.830 1.00 0.00 C ATOM 900 O LYS A 58 14.297 5.307 -2.919 1.00 0.00 O ATOM 901 CB LYS A 58 14.771 2.041 -3.210 1.00 0.00 C ATOM 902 CG LYS A 58 16.015 2.590 -3.947 1.00 0.00 C ATOM 903 CD LYS A 58 17.283 2.241 -3.151 1.00 0.00 C ATOM 904 CE LYS A 58 18.515 2.708 -3.933 1.00 0.00 C ATOM 905 NZ LYS A 58 19.720 2.719 -3.054 1.00 0.00 N ATOM 0 H LYS A 58 13.065 1.455 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 58 15.151 3.389 -1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.007 1.088 -2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.968 1.853 -3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.074 2.164 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.933 3.671 -4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.256 2.720 -2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.334 1.166 -2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.684 2.048 -4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.341 3.707 -4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.545 3.038 -3.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.562 3.367 -2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.894 1.760 -2.692 1.00 0.00 H new ATOM 919 N LYS A 59 12.493 4.082 -3.312 1.00 0.00 N ATOM 920 CA LYS A 59 11.826 5.194 -3.990 1.00 0.00 C ATOM 921 C LYS A 59 11.753 6.370 -3.048 1.00 0.00 C ATOM 922 O LYS A 59 12.006 7.498 -3.417 1.00 0.00 O ATOM 923 CB LYS A 59 10.399 4.752 -4.353 1.00 0.00 C ATOM 924 CG LYS A 59 9.833 5.697 -5.418 1.00 0.00 C ATOM 925 CD LYS A 59 8.508 5.134 -5.935 1.00 0.00 C ATOM 926 CE LYS A 59 7.790 6.208 -6.756 1.00 0.00 C ATOM 927 NZ LYS A 59 7.535 7.418 -5.924 1.00 0.00 N ATOM 0 H LYS A 59 11.959 3.214 -3.259 1.00 0.00 H new ATOM 0 HA LYS A 59 12.375 5.477 -4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.407 3.728 -4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.765 4.763 -3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.680 6.690 -4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.541 5.805 -6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.689 4.251 -6.548 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.882 4.819 -5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.394 6.476 -7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.847 5.814 -7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.566 7.757 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.649 7.178 -4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.212 8.165 -6.181 1.00 0.00 H new ATOM 941 N ALA A 60 11.396 6.074 -1.833 1.00 0.00 N ATOM 942 CA ALA A 60 11.292 7.144 -0.819 1.00 0.00 C ATOM 943 C ALA A 60 12.496 8.076 -0.890 1.00 0.00 C ATOM 944 O ALA A 60 12.354 9.281 -0.825 1.00 0.00 O ATOM 945 CB ALA A 60 11.246 6.493 0.581 1.00 0.00 C ATOM 0 H ALA A 60 11.172 5.136 -1.502 1.00 0.00 H new ATOM 0 HA ALA A 60 10.389 7.725 -1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.169 7.270 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.381 5.834 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.156 5.915 0.744 1.00 0.00 H new