USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 551 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 22 ASN : amide:sc=-0.00817 X(o=-0.0082,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00442 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -107:sc= 0.269 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.117 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.00058) USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= -0.0385 (180deg=-0.247) USER MOD Single : A 66 MET CE :methyl -166:sc= -0.432 (180deg=-0.838) USER MOD Single : A 69 MET CE :methyl -129:sc= -0.623 (180deg=-1.69) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 210 N VAL A 17 2.575 9.554 0.107 1.00 0.00 N ATOM 211 CA VAL A 17 3.349 8.370 0.456 1.00 0.00 C ATOM 212 C VAL A 17 2.463 7.294 1.072 1.00 0.00 C ATOM 213 O VAL A 17 1.654 7.573 1.959 1.00 0.00 O ATOM 214 CB VAL A 17 4.484 8.711 1.441 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.388 7.506 1.653 1.00 0.00 C ATOM 216 CG2 VAL A 17 5.281 9.906 0.943 1.00 0.00 C ATOM 0 HA VAL A 17 3.782 7.992 -0.470 1.00 0.00 H new ATOM 0 HB VAL A 17 4.041 8.975 2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.183 7.766 2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.804 6.680 2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.825 7.207 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.078 10.132 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.715 9.674 -0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.622 10.769 0.850 1.00 0.00 H new ATOM 226 N LEU A 18 2.618 6.063 0.597 1.00 0.00 N ATOM 227 CA LEU A 18 1.831 4.943 1.101 1.00 0.00 C ATOM 228 C LEU A 18 2.681 4.033 1.983 1.00 0.00 C ATOM 229 O LEU A 18 3.746 3.573 1.572 1.00 0.00 O ATOM 230 CB LEU A 18 1.244 4.142 -0.062 1.00 0.00 C ATOM 231 CG LEU A 18 0.627 4.960 -1.198 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.419 4.093 -2.429 1.00 0.00 C ATOM 233 CD2 LEU A 18 -0.688 5.583 -0.753 1.00 0.00 C ATOM 0 H LEU A 18 3.282 5.815 -0.137 1.00 0.00 H new ATOM 0 HA LEU A 18 1.017 5.345 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.032 3.515 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.480 3.473 0.333 1.00 0.00 H new ATOM 0 HG LEU A 18 1.317 5.763 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.021 4.692 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.378 3.696 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.250 3.268 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.113 6.161 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.385 4.796 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.510 6.239 0.099 1.00 0.00 H new ATOM 245 N PHE A 19 2.201 3.777 3.195 1.00 0.00 N ATOM 246 CA PHE A 19 2.917 2.921 4.135 1.00 0.00 C ATOM 247 C PHE A 19 2.454 1.472 4.011 1.00 0.00 C ATOM 248 O PHE A 19 1.430 1.086 4.576 1.00 0.00 O ATOM 249 CB PHE A 19 2.708 3.414 5.568 1.00 0.00 C ATOM 250 CG PHE A 19 3.517 2.661 6.585 1.00 0.00 C ATOM 251 CD1 PHE A 19 4.870 2.915 6.742 1.00 0.00 C ATOM 252 CD2 PHE A 19 2.923 1.697 7.384 1.00 0.00 C ATOM 253 CE1 PHE A 19 5.616 2.224 7.676 1.00 0.00 C ATOM 254 CE2 PHE A 19 3.664 1.003 8.322 1.00 0.00 C ATOM 255 CZ PHE A 19 5.013 1.266 8.467 1.00 0.00 C ATOM 0 H PHE A 19 1.320 4.149 3.550 1.00 0.00 H new ATOM 0 HA PHE A 19 3.979 2.967 3.894 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.966 4.472 5.621 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.651 3.331 5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.347 3.663 6.126 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.870 1.486 7.273 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.670 2.432 7.788 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.189 0.256 8.941 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.595 0.723 9.198 1.00 0.00 H new ATOM 265 N VAL A 20 3.215 0.675 3.268 1.00 0.00 N ATOM 266 CA VAL A 20 2.883 -0.731 3.070 1.00 0.00 C ATOM 267 C VAL A 20 3.570 -1.609 4.110 1.00 0.00 C ATOM 268 O VAL A 20 4.793 -1.752 4.107 1.00 0.00 O ATOM 269 CB VAL A 20 3.288 -1.210 1.663 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.765 -2.615 1.407 1.00 0.00 C ATOM 271 CG2 VAL A 20 2.779 -0.243 0.605 1.00 0.00 C ATOM 0 H VAL A 20 4.065 0.979 2.793 1.00 0.00 H new ATOM 0 HA VAL A 20 1.802 -0.820 3.180 1.00 0.00 H new ATOM 0 HB VAL A 20 4.376 -1.236 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.061 -2.937 0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.181 -3.299 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.678 -2.618 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.074 -0.596 -0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.692 -0.183 0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.206 0.745 0.779 1.00 0.00 H new ATOM 281 N ARG A 21 2.775 -2.195 5.000 1.00 0.00 N ATOM 282 CA ARG A 21 3.308 -3.059 6.047 1.00 0.00 C ATOM 283 C ARG A 21 3.049 -4.527 5.724 1.00 0.00 C ATOM 284 O ARG A 21 2.305 -4.848 4.798 1.00 0.00 O ATOM 285 CB ARG A 21 2.679 -2.706 7.397 1.00 0.00 C ATOM 286 CG ARG A 21 3.681 -2.649 8.538 1.00 0.00 C ATOM 287 CD ARG A 21 3.036 -3.019 9.865 1.00 0.00 C ATOM 288 NE ARG A 21 3.491 -2.159 10.954 1.00 0.00 N ATOM 289 CZ ARG A 21 4.647 -2.322 11.586 1.00 0.00 C ATOM 290 NH1 ARG A 21 5.463 -3.307 11.239 1.00 0.00 N ATOM 291 NH2 ARG A 21 4.991 -1.496 12.567 1.00 0.00 N ATOM 0 H ARG A 21 1.761 -2.087 5.017 1.00 0.00 H new ATOM 0 HA ARG A 21 4.385 -2.900 6.101 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.180 -1.741 7.314 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.912 -3.443 7.635 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.508 -3.329 8.332 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.102 -1.646 8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.952 -2.946 9.774 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.266 -4.057 10.103 1.00 0.00 H new ATOM 0 HE ARG A 21 2.887 -1.390 11.245 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.203 -3.942 10.484 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.351 -3.430 11.726 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.367 -0.735 12.836 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.879 -1.622 13.052 1.00 0.00 H new ATOM 305 N ASN A 22 3.671 -5.416 6.493 1.00 0.00 N ATOM 306 CA ASN A 22 3.510 -6.850 6.286 1.00 0.00 C ATOM 307 C ASN A 22 3.905 -7.243 4.866 1.00 0.00 C ATOM 308 O ASN A 22 3.048 -7.525 4.027 1.00 0.00 O ATOM 309 CB ASN A 22 2.064 -7.267 6.560 1.00 0.00 C ATOM 310 CG ASN A 22 1.763 -7.373 8.042 1.00 0.00 C ATOM 311 OD1 ASN A 22 2.252 -8.274 8.724 1.00 0.00 O ATOM 312 ND2 ASN A 22 0.954 -6.449 8.549 1.00 0.00 N ATOM 0 H ASN A 22 4.291 -5.168 7.264 1.00 0.00 H new ATOM 0 HA ASN A 22 4.168 -7.368 6.983 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.388 -6.543 6.106 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.869 -8.228 6.083 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.716 -6.468 9.541 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.571 -5.720 7.947 1.00 0.00 H new ATOM 319 N LEU A 23 5.207 -7.262 4.603 1.00 0.00 N ATOM 320 CA LEU A 23 5.717 -7.622 3.284 1.00 0.00 C ATOM 321 C LEU A 23 6.321 -9.021 3.298 1.00 0.00 C ATOM 322 O LEU A 23 6.375 -9.676 4.338 1.00 0.00 O ATOM 323 CB LEU A 23 6.764 -6.605 2.826 1.00 0.00 C ATOM 324 CG LEU A 23 6.228 -5.366 2.107 1.00 0.00 C ATOM 325 CD1 LEU A 23 5.147 -4.693 2.937 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.358 -4.393 1.808 1.00 0.00 C ATOM 0 H LEU A 23 5.929 -7.032 5.286 1.00 0.00 H new ATOM 0 HA LEU A 23 4.882 -7.615 2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.329 -6.278 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.466 -7.110 2.162 1.00 0.00 H new ATOM 0 HG LEU A 23 5.787 -5.680 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.778 -3.814 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.325 -5.391 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.562 -4.391 3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.958 -3.517 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.829 -4.084 2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.098 -4.879 1.172 1.00 0.00 H new ATOM 338 N ALA A 24 6.777 -9.475 2.134 1.00 0.00 N ATOM 339 CA ALA A 24 7.382 -10.795 2.012 1.00 0.00 C ATOM 340 C ALA A 24 8.904 -10.706 2.031 1.00 0.00 C ATOM 341 O ALA A 24 9.486 -9.729 1.556 1.00 0.00 O ATOM 342 CB ALA A 24 6.908 -11.478 0.738 1.00 0.00 C ATOM 0 H ALA A 24 6.738 -8.947 1.262 1.00 0.00 H new ATOM 0 HA ALA A 24 7.068 -11.391 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.368 -12.463 0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.824 -11.585 0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.192 -10.876 -0.125 1.00 0.00 H new ATOM 348 N THR A 25 9.547 -11.729 2.584 1.00 0.00 N ATOM 349 CA THR A 25 11.001 -11.766 2.666 1.00 0.00 C ATOM 350 C THR A 25 11.610 -12.333 1.389 1.00 0.00 C ATOM 351 O THR A 25 12.759 -12.042 1.054 1.00 0.00 O ATOM 352 CB THR A 25 11.476 -12.608 3.866 1.00 0.00 C ATOM 353 OG1 THR A 25 10.447 -12.668 4.860 1.00 0.00 O ATOM 354 CG2 THR A 25 12.741 -12.022 4.472 1.00 0.00 C ATOM 0 H THR A 25 9.082 -12.545 2.983 1.00 0.00 H new ATOM 0 HA THR A 25 11.335 -10.737 2.799 1.00 0.00 H new ATOM 0 HB THR A 25 11.696 -13.615 3.511 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.756 -13.206 5.619 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.057 -12.634 5.317 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.531 -12.006 3.721 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.544 -11.006 4.813 1.00 0.00 H new ATOM 362 N THR A 26 10.833 -13.143 0.677 1.00 0.00 N ATOM 363 CA THR A 26 11.296 -13.751 -0.564 1.00 0.00 C ATOM 364 C THR A 26 11.213 -12.765 -1.724 1.00 0.00 C ATOM 365 O THR A 26 11.999 -12.834 -2.669 1.00 0.00 O ATOM 366 CB THR A 26 10.477 -15.008 -0.914 1.00 0.00 C ATOM 367 OG1 THR A 26 9.097 -14.664 -1.078 1.00 0.00 O ATOM 368 CG2 THR A 26 10.615 -16.064 0.173 1.00 0.00 C ATOM 0 H THR A 26 9.879 -13.393 0.939 1.00 0.00 H new ATOM 0 HA THR A 26 12.336 -14.036 -0.407 1.00 0.00 H new ATOM 0 HB THR A 26 10.863 -15.417 -1.848 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.584 -15.468 -1.302 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.028 -16.942 -0.096 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.663 -16.346 0.276 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.253 -15.662 1.119 1.00 0.00 H new ATOM 376 N VAL A 27 10.255 -11.846 -1.647 1.00 0.00 N ATOM 377 CA VAL A 27 10.072 -10.845 -2.690 1.00 0.00 C ATOM 378 C VAL A 27 11.244 -9.872 -2.731 1.00 0.00 C ATOM 379 O VAL A 27 12.013 -9.767 -1.773 1.00 0.00 O ATOM 380 CB VAL A 27 8.768 -10.051 -2.481 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.575 -10.992 -2.409 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.859 -9.197 -1.225 1.00 0.00 C ATOM 0 H VAL A 27 9.594 -11.775 -0.873 1.00 0.00 H new ATOM 0 HA VAL A 27 10.016 -11.381 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 27 8.627 -9.388 -3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.663 -10.413 -2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.500 -11.556 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.706 -11.682 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.929 -8.643 -1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.025 -9.839 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.688 -8.496 -1.321 1.00 0.00 H new ATOM 392 N THR A 28 11.377 -9.160 -3.846 1.00 0.00 N ATOM 393 CA THR A 28 12.458 -8.196 -4.013 1.00 0.00 C ATOM 394 C THR A 28 11.917 -6.833 -4.430 1.00 0.00 C ATOM 395 O THR A 28 10.768 -6.714 -4.853 1.00 0.00 O ATOM 396 CB THR A 28 13.480 -8.674 -5.062 1.00 0.00 C ATOM 397 OG1 THR A 28 14.578 -7.758 -5.127 1.00 0.00 O ATOM 398 CG2 THR A 28 12.832 -8.795 -6.433 1.00 0.00 C ATOM 0 H THR A 28 10.749 -9.233 -4.647 1.00 0.00 H new ATOM 0 HA THR A 28 12.956 -8.107 -3.047 1.00 0.00 H new ATOM 0 HB THR A 28 13.844 -9.657 -4.762 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.224 -8.069 -5.795 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.573 -9.134 -7.157 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.014 -9.514 -6.387 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.444 -7.824 -6.739 1.00 0.00 H new ATOM 406 N GLU A 29 12.755 -5.807 -4.310 1.00 0.00 N ATOM 407 CA GLU A 29 12.359 -4.452 -4.675 1.00 0.00 C ATOM 408 C GLU A 29 11.842 -4.405 -6.109 1.00 0.00 C ATOM 409 O GLU A 29 11.014 -3.561 -6.452 1.00 0.00 O ATOM 410 CB GLU A 29 13.541 -3.492 -4.516 1.00 0.00 C ATOM 411 CG GLU A 29 13.690 -2.939 -3.109 1.00 0.00 C ATOM 412 CD GLU A 29 15.133 -2.657 -2.742 1.00 0.00 C ATOM 413 OE1 GLU A 29 15.916 -3.625 -2.631 1.00 0.00 O ATOM 414 OE2 GLU A 29 15.483 -1.472 -2.567 1.00 0.00 O ATOM 0 H GLU A 29 13.711 -5.889 -3.963 1.00 0.00 H new ATOM 0 HA GLU A 29 11.556 -4.142 -4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.459 -4.010 -4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.421 -2.662 -5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.111 -2.020 -3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.270 -3.650 -2.397 1.00 0.00 H new ATOM 421 N GLU A 30 12.335 -5.316 -6.941 1.00 0.00 N ATOM 422 CA GLU A 30 11.922 -5.377 -8.339 1.00 0.00 C ATOM 423 C GLU A 30 10.438 -5.714 -8.454 1.00 0.00 C ATOM 424 O GLU A 30 9.695 -5.051 -9.177 1.00 0.00 O ATOM 425 CB GLU A 30 12.752 -6.417 -9.094 1.00 0.00 C ATOM 426 CG GLU A 30 13.140 -5.983 -10.498 1.00 0.00 C ATOM 427 CD GLU A 30 14.039 -6.988 -11.192 1.00 0.00 C ATOM 428 OE1 GLU A 30 13.640 -8.168 -11.294 1.00 0.00 O ATOM 429 OE2 GLU A 30 15.139 -6.596 -11.632 1.00 0.00 O ATOM 0 H GLU A 30 13.021 -6.022 -6.672 1.00 0.00 H new ATOM 0 HA GLU A 30 12.090 -4.396 -8.784 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.657 -6.630 -8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.187 -7.347 -9.153 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.238 -5.838 -11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.648 -5.020 -10.449 1.00 0.00 H new ATOM 436 N ILE A 31 10.015 -6.749 -7.736 1.00 0.00 N ATOM 437 CA ILE A 31 8.621 -7.174 -7.757 1.00 0.00 C ATOM 438 C ILE A 31 7.709 -6.097 -7.180 1.00 0.00 C ATOM 439 O ILE A 31 6.691 -5.745 -7.779 1.00 0.00 O ATOM 440 CB ILE A 31 8.419 -8.480 -6.965 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.298 -9.592 -7.539 1.00 0.00 C ATOM 442 CG2 ILE A 31 6.954 -8.891 -6.988 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.487 -10.760 -6.596 1.00 0.00 C ATOM 0 H ILE A 31 10.618 -7.309 -7.133 1.00 0.00 H new ATOM 0 HA ILE A 31 8.360 -7.347 -8.801 1.00 0.00 H new ATOM 0 HB ILE A 31 8.713 -8.309 -5.929 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.854 -9.953 -8.467 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.274 -9.178 -7.792 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.827 -9.815 -6.425 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.348 -8.105 -6.537 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.636 -9.048 -8.019 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.121 -11.510 -7.069 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.959 -10.413 -5.677 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.517 -11.199 -6.362 1.00 0.00 H new ATOM 455 N LEU A 32 8.081 -5.575 -6.018 1.00 0.00 N ATOM 456 CA LEU A 32 7.298 -4.534 -5.360 1.00 0.00 C ATOM 457 C LEU A 32 7.130 -3.321 -6.270 1.00 0.00 C ATOM 458 O LEU A 32 6.129 -2.611 -6.194 1.00 0.00 O ATOM 459 CB LEU A 32 7.967 -4.115 -4.050 1.00 0.00 C ATOM 460 CG LEU A 32 7.697 -5.011 -2.841 1.00 0.00 C ATOM 461 CD1 LEU A 32 8.862 -4.956 -1.865 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.403 -4.602 -2.153 1.00 0.00 C ATOM 0 H LEU A 32 8.920 -5.855 -5.511 1.00 0.00 H new ATOM 0 HA LEU A 32 6.310 -4.941 -5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.044 -4.073 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.642 -3.103 -3.807 1.00 0.00 H new ATOM 0 HG LEU A 32 7.591 -6.038 -3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.652 -5.600 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.770 -5.298 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.001 -3.931 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.227 -5.250 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.481 -3.568 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.573 -4.694 -2.854 1.00 0.00 H new ATOM 474 N GLU A 33 8.118 -3.093 -7.131 1.00 0.00 N ATOM 475 CA GLU A 33 8.078 -1.967 -8.056 1.00 0.00 C ATOM 476 C GLU A 33 7.159 -2.266 -9.237 1.00 0.00 C ATOM 477 O GLU A 33 6.453 -1.384 -9.729 1.00 0.00 O ATOM 478 CB GLU A 33 9.486 -1.644 -8.561 1.00 0.00 C ATOM 479 CG GLU A 33 10.106 -0.428 -7.893 1.00 0.00 C ATOM 480 CD GLU A 33 10.851 0.460 -8.872 1.00 0.00 C ATOM 481 OE1 GLU A 33 11.293 -0.056 -9.920 1.00 0.00 O ATOM 482 OE2 GLU A 33 10.991 1.667 -8.590 1.00 0.00 O ATOM 0 H GLU A 33 8.954 -3.672 -7.207 1.00 0.00 H new ATOM 0 HA GLU A 33 7.684 -1.103 -7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.130 -2.508 -8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.448 -1.477 -9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.323 0.153 -7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.792 -0.757 -7.112 1.00 0.00 H new ATOM 489 N LYS A 34 7.173 -3.514 -9.690 1.00 0.00 N ATOM 490 CA LYS A 34 6.342 -3.932 -10.813 1.00 0.00 C ATOM 491 C LYS A 34 4.881 -4.059 -10.391 1.00 0.00 C ATOM 492 O LYS A 34 3.975 -3.926 -11.212 1.00 0.00 O ATOM 493 CB LYS A 34 6.839 -5.267 -11.373 1.00 0.00 C ATOM 494 CG LYS A 34 7.612 -5.130 -12.673 1.00 0.00 C ATOM 495 CD LYS A 34 8.779 -6.102 -12.732 1.00 0.00 C ATOM 496 CE LYS A 34 8.425 -7.350 -13.526 1.00 0.00 C ATOM 497 NZ LYS A 34 8.587 -8.588 -12.714 1.00 0.00 N ATOM 0 H LYS A 34 7.752 -4.256 -9.296 1.00 0.00 H new ATOM 0 HA LYS A 34 6.414 -3.170 -11.589 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.475 -5.749 -10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.985 -5.924 -11.535 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.944 -5.310 -13.515 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.982 -4.109 -12.772 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.640 -5.612 -13.187 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.071 -6.384 -11.720 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.395 -7.278 -13.877 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.059 -7.410 -14.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.336 -9.417 -13.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.575 -8.671 -12.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.963 -8.542 -11.883 1.00 0.00 H new ATOM 511 N SER A 35 4.661 -4.313 -9.105 1.00 0.00 N ATOM 512 CA SER A 35 3.310 -4.459 -8.575 1.00 0.00 C ATOM 513 C SER A 35 2.592 -3.114 -8.542 1.00 0.00 C ATOM 514 O SER A 35 1.379 -3.040 -8.740 1.00 0.00 O ATOM 515 CB SER A 35 3.354 -5.061 -7.169 1.00 0.00 C ATOM 516 OG SER A 35 3.440 -6.475 -7.222 1.00 0.00 O ATOM 0 H SER A 35 5.400 -4.422 -8.411 1.00 0.00 H new ATOM 0 HA SER A 35 2.758 -5.130 -9.233 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.210 -4.662 -6.626 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.461 -4.768 -6.617 1.00 0.00 H new ATOM 0 HG SER A 35 3.468 -6.835 -6.311 1.00 0.00 H new ATOM 522 N PHE A 36 3.349 -2.051 -8.291 1.00 0.00 N ATOM 523 CA PHE A 36 2.786 -0.708 -8.232 1.00 0.00 C ATOM 524 C PHE A 36 2.913 -0.004 -9.580 1.00 0.00 C ATOM 525 O PHE A 36 2.058 0.796 -9.958 1.00 0.00 O ATOM 526 CB PHE A 36 3.484 0.113 -7.146 1.00 0.00 C ATOM 527 CG PHE A 36 3.095 -0.282 -5.751 1.00 0.00 C ATOM 528 CD1 PHE A 36 1.779 -0.181 -5.330 1.00 0.00 C ATOM 529 CD2 PHE A 36 4.044 -0.754 -4.860 1.00 0.00 C ATOM 530 CE1 PHE A 36 1.418 -0.544 -4.046 1.00 0.00 C ATOM 531 CE2 PHE A 36 3.690 -1.119 -3.575 1.00 0.00 C ATOM 532 CZ PHE A 36 2.374 -1.014 -3.167 1.00 0.00 C ATOM 0 H PHE A 36 4.355 -2.094 -8.125 1.00 0.00 H new ATOM 0 HA PHE A 36 1.727 -0.795 -7.987 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.563 0.005 -7.258 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.252 1.168 -7.294 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.027 0.185 -6.013 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.074 -0.838 -5.173 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.389 -0.460 -3.730 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.441 -1.486 -2.891 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.094 -1.299 -2.164 1.00 0.00 H new ATOM 542 N SER A 37 3.988 -0.308 -10.300 1.00 0.00 N ATOM 543 CA SER A 37 4.231 0.298 -11.604 1.00 0.00 C ATOM 544 C SER A 37 3.037 0.090 -12.531 1.00 0.00 C ATOM 545 O SER A 37 2.799 0.884 -13.439 1.00 0.00 O ATOM 546 CB SER A 37 5.491 -0.293 -12.237 1.00 0.00 C ATOM 547 OG SER A 37 5.515 -0.066 -13.636 1.00 0.00 O ATOM 0 H SER A 37 4.705 -0.970 -10.003 1.00 0.00 H new ATOM 0 HA SER A 37 4.374 1.369 -11.459 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.374 0.151 -11.778 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.533 -1.364 -12.039 1.00 0.00 H new ATOM 0 HG SER A 37 6.331 -0.452 -14.016 1.00 0.00 H new ATOM 553 N GLU A 38 2.291 -0.984 -12.292 1.00 0.00 N ATOM 554 CA GLU A 38 1.121 -1.297 -13.105 1.00 0.00 C ATOM 555 C GLU A 38 0.072 -0.194 -12.997 1.00 0.00 C ATOM 556 O GLU A 38 -0.733 0.004 -13.906 1.00 0.00 O ATOM 557 CB GLU A 38 0.518 -2.636 -12.677 1.00 0.00 C ATOM 558 CG GLU A 38 1.499 -3.793 -12.737 1.00 0.00 C ATOM 559 CD GLU A 38 0.953 -4.983 -13.504 1.00 0.00 C ATOM 560 OE1 GLU A 38 0.657 -4.827 -14.707 1.00 0.00 O ATOM 561 OE2 GLU A 38 0.820 -6.068 -12.899 1.00 0.00 O ATOM 0 H GLU A 38 2.476 -1.651 -11.543 1.00 0.00 H new ATOM 0 HA GLU A 38 1.441 -1.368 -14.145 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.139 -2.545 -11.659 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.336 -2.861 -13.316 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.424 -3.456 -13.206 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.751 -4.104 -11.723 1.00 0.00 H new ATOM 568 N PHE A 39 0.086 0.519 -11.875 1.00 0.00 N ATOM 569 CA PHE A 39 -0.865 1.600 -11.645 1.00 0.00 C ATOM 570 C PHE A 39 -0.322 2.924 -12.176 1.00 0.00 C ATOM 571 O PHE A 39 -0.997 3.630 -12.924 1.00 0.00 O ATOM 572 CB PHE A 39 -1.176 1.725 -10.152 1.00 0.00 C ATOM 573 CG PHE A 39 -1.933 0.553 -9.598 1.00 0.00 C ATOM 574 CD1 PHE A 39 -1.296 -0.658 -9.375 1.00 0.00 C ATOM 575 CD2 PHE A 39 -3.282 0.661 -9.299 1.00 0.00 C ATOM 576 CE1 PHE A 39 -1.991 -1.738 -8.866 1.00 0.00 C ATOM 577 CE2 PHE A 39 -3.982 -0.416 -8.789 1.00 0.00 C ATOM 578 CZ PHE A 39 -3.335 -1.616 -8.571 1.00 0.00 C ATOM 0 H PHE A 39 0.745 0.367 -11.112 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.784 1.363 -12.182 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.241 1.836 -9.602 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.755 2.633 -9.984 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.245 -0.758 -9.602 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.792 1.598 -9.467 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.484 -2.677 -8.699 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.033 -0.319 -8.561 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.879 -2.458 -8.170 1.00 0.00 H new ATOM 588 N GLY A 40 0.904 3.256 -11.780 1.00 0.00 N ATOM 589 CA GLY A 40 1.517 4.494 -12.224 1.00 0.00 C ATOM 590 C GLY A 40 3.029 4.464 -12.114 1.00 0.00 C ATOM 591 O GLY A 40 3.593 3.613 -11.427 1.00 0.00 O ATOM 0 H GLY A 40 1.483 2.690 -11.160 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.235 4.685 -13.259 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.129 5.322 -11.630 1.00 0.00 H new ATOM 595 N LYS A 41 3.688 5.395 -12.795 1.00 0.00 N ATOM 596 CA LYS A 41 5.143 5.474 -12.772 1.00 0.00 C ATOM 597 C LYS A 41 5.650 5.786 -11.368 1.00 0.00 C ATOM 598 O LYS A 41 5.598 6.933 -10.919 1.00 0.00 O ATOM 599 CB LYS A 41 5.633 6.542 -13.753 1.00 0.00 C ATOM 600 CG LYS A 41 5.721 6.057 -15.189 1.00 0.00 C ATOM 601 CD LYS A 41 6.972 5.227 -15.422 1.00 0.00 C ATOM 602 CE LYS A 41 6.765 4.205 -16.529 1.00 0.00 C ATOM 603 NZ LYS A 41 7.303 4.683 -17.833 1.00 0.00 N ATOM 0 H LYS A 41 3.237 6.106 -13.370 1.00 0.00 H new ATOM 0 HA LYS A 41 5.538 4.504 -13.074 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.961 7.399 -13.709 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.616 6.891 -13.436 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.839 5.462 -15.428 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.720 6.913 -15.864 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.802 5.884 -15.682 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.247 4.715 -14.500 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.253 3.270 -16.256 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.701 3.991 -16.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.142 3.958 -18.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.819 5.562 -18.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.323 4.863 -17.743 1.00 0.00 H new ATOM 617 N LEU A 42 6.140 4.762 -10.678 1.00 0.00 N ATOM 618 CA LEU A 42 6.658 4.929 -9.325 1.00 0.00 C ATOM 619 C LEU A 42 7.787 5.954 -9.296 1.00 0.00 C ATOM 620 O LEU A 42 8.364 6.285 -10.331 1.00 0.00 O ATOM 621 CB LEU A 42 7.156 3.589 -8.780 1.00 0.00 C ATOM 622 CG LEU A 42 6.088 2.520 -8.548 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.704 1.277 -7.923 1.00 0.00 C ATOM 624 CD2 LEU A 42 4.971 3.063 -7.668 1.00 0.00 C ATOM 0 H LEU A 42 6.189 3.807 -11.033 1.00 0.00 H new ATOM 0 HA LEU A 42 5.847 5.292 -8.694 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.896 3.190 -9.474 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.670 3.772 -7.836 1.00 0.00 H new ATOM 0 HG LEU A 42 5.662 2.245 -9.513 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.929 0.527 -7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.468 0.875 -8.589 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.157 1.537 -6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.220 2.288 -7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.382 3.367 -6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.510 3.923 -8.154 1.00 0.00 H new ATOM 636 N GLU A 43 8.097 6.451 -8.102 1.00 0.00 N ATOM 637 CA GLU A 43 9.159 7.437 -7.939 1.00 0.00 C ATOM 638 C GLU A 43 10.410 6.797 -7.345 1.00 0.00 C ATOM 639 O GLU A 43 11.524 7.042 -7.807 1.00 0.00 O ATOM 640 CB GLU A 43 8.686 8.585 -7.043 1.00 0.00 C ATOM 641 CG GLU A 43 8.759 9.948 -7.710 1.00 0.00 C ATOM 642 CD GLU A 43 8.536 11.087 -6.735 1.00 0.00 C ATOM 643 OE1 GLU A 43 8.734 10.876 -5.520 1.00 0.00 O ATOM 644 OE2 GLU A 43 8.164 12.190 -7.187 1.00 0.00 O ATOM 0 H GLU A 43 7.629 6.187 -7.235 1.00 0.00 H new ATOM 0 HA GLU A 43 9.407 7.832 -8.924 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.658 8.395 -6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.292 8.601 -6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.734 10.065 -8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.012 10.001 -8.502 1.00 0.00 H new ATOM 651 N ARG A 44 10.217 5.976 -6.319 1.00 0.00 N ATOM 652 CA ARG A 44 11.330 5.302 -5.660 1.00 0.00 C ATOM 653 C ARG A 44 10.828 4.383 -4.549 1.00 0.00 C ATOM 654 O ARG A 44 9.917 4.738 -3.800 1.00 0.00 O ATOM 655 CB ARG A 44 12.307 6.328 -5.086 1.00 0.00 C ATOM 656 CG ARG A 44 13.380 5.716 -4.198 1.00 0.00 C ATOM 657 CD ARG A 44 14.389 6.760 -3.745 1.00 0.00 C ATOM 658 NE ARG A 44 15.711 6.530 -4.322 1.00 0.00 N ATOM 659 CZ ARG A 44 16.786 7.239 -4.000 1.00 0.00 C ATOM 660 NH1 ARG A 44 16.698 8.217 -3.108 1.00 0.00 N ATOM 661 NH2 ARG A 44 17.955 6.970 -4.569 1.00 0.00 N ATOM 0 H ARG A 44 9.301 5.761 -5.926 1.00 0.00 H new ATOM 0 HA ARG A 44 11.847 4.695 -6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.787 6.860 -5.908 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.749 7.067 -4.511 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.914 5.256 -3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.894 4.923 -4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.037 7.752 -4.029 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.461 6.747 -2.657 1.00 0.00 H new ATOM 0 HE ARG A 44 15.814 5.784 -5.010 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.802 8.426 -2.667 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.526 8.760 -2.863 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.028 6.218 -5.254 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.780 7.515 -4.321 1.00 0.00 H new ATOM 675 N VAL A 45 11.429 3.202 -4.450 1.00 0.00 N ATOM 676 CA VAL A 45 11.044 2.232 -3.431 1.00 0.00 C ATOM 677 C VAL A 45 12.238 1.838 -2.569 1.00 0.00 C ATOM 678 O VAL A 45 13.378 1.832 -3.034 1.00 0.00 O ATOM 679 CB VAL A 45 10.438 0.964 -4.062 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.881 0.046 -2.985 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.361 1.334 -5.070 1.00 0.00 C ATOM 0 H VAL A 45 12.184 2.893 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 45 10.291 2.712 -2.806 1.00 0.00 H new ATOM 0 HB VAL A 45 11.227 0.428 -4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.457 -0.844 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.682 -0.245 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.104 0.569 -2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.944 0.426 -5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.570 1.893 -4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.796 1.948 -5.858 1.00 0.00 H new ATOM 691 N LYS A 46 11.969 1.507 -1.310 1.00 0.00 N ATOM 692 CA LYS A 46 13.021 1.108 -0.383 1.00 0.00 C ATOM 693 C LYS A 46 12.508 0.065 0.606 1.00 0.00 C ATOM 694 O LYS A 46 11.407 0.192 1.143 1.00 0.00 O ATOM 695 CB LYS A 46 13.549 2.328 0.376 1.00 0.00 C ATOM 696 CG LYS A 46 15.026 2.238 0.719 1.00 0.00 C ATOM 697 CD LYS A 46 15.889 2.217 -0.532 1.00 0.00 C ATOM 698 CE LYS A 46 17.333 2.573 -0.219 1.00 0.00 C ATOM 699 NZ LYS A 46 17.680 3.944 -0.685 1.00 0.00 N ATOM 0 H LYS A 46 11.031 1.507 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 46 13.833 0.667 -0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.378 3.221 -0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.977 2.448 1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.308 3.086 1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.210 1.337 1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.848 1.227 -0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.490 2.921 -1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.500 2.502 0.856 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.996 1.850 -0.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.673 4.149 -0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.545 4.005 -1.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.064 4.637 -0.214 1.00 0.00 H new ATOM 713 N LYS A 47 13.312 -0.965 0.842 1.00 0.00 N ATOM 714 CA LYS A 47 12.942 -2.030 1.767 1.00 0.00 C ATOM 715 C LYS A 47 13.397 -1.700 3.186 1.00 0.00 C ATOM 716 O LYS A 47 14.570 -1.858 3.526 1.00 0.00 O ATOM 717 CB LYS A 47 13.555 -3.359 1.321 1.00 0.00 C ATOM 718 CG LYS A 47 12.642 -4.553 1.537 1.00 0.00 C ATOM 719 CD LYS A 47 12.613 -5.460 0.318 1.00 0.00 C ATOM 720 CE LYS A 47 11.942 -6.789 0.629 1.00 0.00 C ATOM 721 NZ LYS A 47 12.906 -7.922 0.577 1.00 0.00 N ATOM 0 H LYS A 47 14.226 -1.086 0.405 1.00 0.00 H new ATOM 0 HA LYS A 47 11.856 -2.119 1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.811 -3.295 0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.486 -3.521 1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.981 -5.119 2.405 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.633 -4.205 1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.081 -4.964 -0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.631 -5.637 -0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.488 -6.744 1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.136 -6.965 -0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.732 -8.487 -0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.877 -7.551 0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.783 -8.521 1.418 1.00 0.00 H new ATOM 735 N LEU A 48 12.462 -1.241 4.010 1.00 0.00 N ATOM 736 CA LEU A 48 12.766 -0.890 5.394 1.00 0.00 C ATOM 737 C LEU A 48 11.853 -1.639 6.359 1.00 0.00 C ATOM 738 O LEU A 48 10.654 -1.370 6.431 1.00 0.00 O ATOM 739 CB LEU A 48 12.620 0.618 5.601 1.00 0.00 C ATOM 740 CG LEU A 48 13.791 1.478 5.125 1.00 0.00 C ATOM 741 CD1 LEU A 48 15.074 1.074 5.836 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.956 1.365 3.617 1.00 0.00 C ATOM 0 H LEU A 48 11.487 -1.103 3.745 1.00 0.00 H new ATOM 0 HA LEU A 48 13.796 -1.181 5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.719 0.950 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.466 0.805 6.664 1.00 0.00 H new ATOM 0 HG LEU A 48 13.577 2.518 5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.896 1.697 5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.952 1.207 6.911 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.294 0.028 5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.794 1.983 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.148 0.326 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.045 1.704 3.125 1.00 0.00 H new ATOM 754 N LYS A 49 12.429 -2.579 7.101 1.00 0.00 N ATOM 755 CA LYS A 49 11.668 -3.365 8.065 1.00 0.00 C ATOM 756 C LYS A 49 10.603 -4.204 7.365 1.00 0.00 C ATOM 757 O LYS A 49 10.658 -4.406 6.152 1.00 0.00 O ATOM 758 CB LYS A 49 11.013 -2.448 9.099 1.00 0.00 C ATOM 759 CG LYS A 49 11.943 -1.375 9.638 1.00 0.00 C ATOM 760 CD LYS A 49 11.922 -1.330 11.156 1.00 0.00 C ATOM 761 CE LYS A 49 12.753 -2.452 11.760 1.00 0.00 C ATOM 762 NZ LYS A 49 12.476 -2.629 13.212 1.00 0.00 N ATOM 0 H LYS A 49 13.420 -2.815 7.053 1.00 0.00 H new ATOM 0 HA LYS A 49 12.359 -4.038 8.572 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.143 -1.970 8.649 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.650 -3.053 9.930 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.959 -1.566 9.293 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.649 -0.404 9.240 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.305 -0.368 11.498 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.894 -1.407 11.509 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.542 -3.383 11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.812 -2.237 11.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.062 -3.403 13.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.701 -1.749 13.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.471 -2.859 13.348 1.00 0.00 H new ATOM 776 N ASP A 50 9.635 -4.686 8.136 1.00 0.00 N ATOM 777 CA ASP A 50 8.557 -5.500 7.590 1.00 0.00 C ATOM 778 C ASP A 50 7.753 -4.715 6.558 1.00 0.00 C ATOM 779 O ASP A 50 7.004 -5.292 5.769 1.00 0.00 O ATOM 780 CB ASP A 50 7.635 -5.983 8.710 1.00 0.00 C ATOM 781 CG ASP A 50 7.609 -7.495 8.828 1.00 0.00 C ATOM 782 OD1 ASP A 50 8.642 -8.131 8.529 1.00 0.00 O ATOM 783 OD2 ASP A 50 6.558 -8.042 9.221 1.00 0.00 O ATOM 0 H ASP A 50 9.575 -4.527 9.142 1.00 0.00 H new ATOM 0 HA ASP A 50 9.002 -6.365 7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.962 -5.553 9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.624 -5.618 8.527 1.00 0.00 H new ATOM 788 N TYR A 51 7.914 -3.396 6.569 1.00 0.00 N ATOM 789 CA TYR A 51 7.201 -2.531 5.636 1.00 0.00 C ATOM 790 C TYR A 51 8.141 -2.002 4.557 1.00 0.00 C ATOM 791 O TYR A 51 9.308 -2.390 4.489 1.00 0.00 O ATOM 792 CB TYR A 51 6.556 -1.363 6.383 1.00 0.00 C ATOM 793 CG TYR A 51 7.512 -0.624 7.292 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.368 0.348 6.790 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.557 -0.897 8.654 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.243 1.025 7.617 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.427 -0.224 9.489 1.00 0.00 C ATOM 798 CZ TYR A 51 9.269 0.736 8.966 1.00 0.00 C ATOM 799 OH TYR A 51 10.138 1.410 9.793 1.00 0.00 O ATOM 0 H TYR A 51 8.532 -2.903 7.214 1.00 0.00 H new ATOM 0 HA TYR A 51 6.421 -3.122 5.155 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.143 -0.662 5.657 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.721 -1.738 6.975 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.349 0.578 5.735 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.900 -1.649 9.067 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.903 1.777 7.210 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.448 -0.448 10.545 1.00 0.00 H new ATOM 0 HH TYR A 51 10.030 1.089 10.713 1.00 0.00 H new ATOM 809 N ALA A 52 7.624 -1.116 3.714 1.00 0.00 N ATOM 810 CA ALA A 52 8.415 -0.531 2.639 1.00 0.00 C ATOM 811 C ALA A 52 8.014 0.919 2.386 1.00 0.00 C ATOM 812 O ALA A 52 6.913 1.340 2.746 1.00 0.00 O ATOM 813 CB ALA A 52 8.266 -1.351 1.367 1.00 0.00 C ATOM 0 H ALA A 52 6.659 -0.787 3.755 1.00 0.00 H new ATOM 0 HA ALA A 52 9.461 -0.542 2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.862 -0.902 0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.610 -2.369 1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.218 -1.370 1.067 1.00 0.00 H new ATOM 819 N PHE A 53 8.911 1.677 1.767 1.00 0.00 N ATOM 820 CA PHE A 53 8.650 3.081 1.467 1.00 0.00 C ATOM 821 C PHE A 53 8.672 3.329 -0.038 1.00 0.00 C ATOM 822 O PHE A 53 9.732 3.323 -0.664 1.00 0.00 O ATOM 823 CB PHE A 53 9.684 3.973 2.158 1.00 0.00 C ATOM 824 CG PHE A 53 9.415 4.178 3.621 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.181 4.636 4.055 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.396 3.914 4.563 1.00 0.00 C ATOM 827 CE1 PHE A 53 7.932 4.827 5.402 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.152 4.103 5.911 1.00 0.00 C ATOM 829 CZ PHE A 53 8.918 4.558 6.330 1.00 0.00 C ATOM 0 H PHE A 53 9.826 1.344 1.463 1.00 0.00 H new ATOM 0 HA PHE A 53 7.657 3.329 1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.673 3.531 2.037 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.706 4.943 1.661 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.405 4.846 3.333 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.363 3.556 4.241 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.967 5.186 5.728 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.926 3.895 6.635 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.724 4.703 7.382 1.00 0.00 H new ATOM 839 N VAL A 54 7.494 3.547 -0.613 1.00 0.00 N ATOM 840 CA VAL A 54 7.377 3.798 -2.045 1.00 0.00 C ATOM 841 C VAL A 54 6.883 5.215 -2.315 1.00 0.00 C ATOM 842 O VAL A 54 6.074 5.757 -1.561 1.00 0.00 O ATOM 843 CB VAL A 54 6.419 2.795 -2.714 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.418 2.983 -4.224 1.00 0.00 C ATOM 845 CG2 VAL A 54 6.798 1.369 -2.347 1.00 0.00 C ATOM 0 H VAL A 54 6.607 3.555 -0.110 1.00 0.00 H new ATOM 0 HA VAL A 54 8.373 3.676 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 54 5.410 2.984 -2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.735 2.266 -4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.094 3.996 -4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.424 2.823 -4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.110 0.674 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.815 1.165 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.741 1.244 -1.266 1.00 0.00 H new ATOM 855 N HIS A 55 7.374 5.810 -3.398 1.00 0.00 N ATOM 856 CA HIS A 55 6.981 7.165 -3.770 1.00 0.00 C ATOM 857 C HIS A 55 6.242 7.169 -5.105 1.00 0.00 C ATOM 858 O HIS A 55 6.420 6.271 -5.927 1.00 0.00 O ATOM 859 CB HIS A 55 8.211 8.071 -3.851 1.00 0.00 C ATOM 860 CG HIS A 55 8.750 8.469 -2.512 1.00 0.00 C ATOM 861 ND1 HIS A 55 8.598 9.735 -1.986 1.00 0.00 N ATOM 862 CD2 HIS A 55 9.443 7.760 -1.590 1.00 0.00 C ATOM 863 CE1 HIS A 55 9.176 9.788 -0.799 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.696 8.602 -0.535 1.00 0.00 N ATOM 0 H HIS A 55 8.044 5.376 -4.033 1.00 0.00 H new ATOM 0 HA HIS A 55 6.308 7.546 -3.002 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.993 7.559 -4.411 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.954 8.970 -4.412 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.741 6.725 -1.669 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.217 10.653 -0.154 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.203 8.353 0.314 1.00 0.00 H new ATOM 872 N PHE A 56 5.413 8.187 -5.313 1.00 0.00 N ATOM 873 CA PHE A 56 4.645 8.306 -6.547 1.00 0.00 C ATOM 874 C PHE A 56 4.795 9.702 -7.147 1.00 0.00 C ATOM 875 O PHE A 56 5.076 10.666 -6.436 1.00 0.00 O ATOM 876 CB PHE A 56 3.167 8.008 -6.285 1.00 0.00 C ATOM 877 CG PHE A 56 2.855 6.539 -6.223 1.00 0.00 C ATOM 878 CD1 PHE A 56 3.051 5.825 -5.053 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.364 5.875 -7.336 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.764 4.474 -4.993 1.00 0.00 C ATOM 881 CE2 PHE A 56 2.076 4.524 -7.282 1.00 0.00 C ATOM 882 CZ PHE A 56 2.277 3.823 -6.109 1.00 0.00 C ATOM 0 H PHE A 56 5.256 8.941 -4.644 1.00 0.00 H new ATOM 0 HA PHE A 56 5.034 7.578 -7.259 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.871 8.474 -5.345 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.567 8.466 -7.071 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.432 6.329 -4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.205 6.419 -8.255 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.921 3.928 -4.074 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.694 4.017 -8.156 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.054 2.767 -6.065 1.00 0.00 H new ATOM 892 N GLU A 57 4.605 9.799 -8.459 1.00 0.00 N ATOM 893 CA GLU A 57 4.721 11.075 -9.154 1.00 0.00 C ATOM 894 C GLU A 57 3.805 12.122 -8.527 1.00 0.00 C ATOM 895 O GLU A 57 4.075 13.321 -8.596 1.00 0.00 O ATOM 896 CB GLU A 57 4.380 10.906 -10.636 1.00 0.00 C ATOM 897 CG GLU A 57 5.531 11.244 -11.567 1.00 0.00 C ATOM 898 CD GLU A 57 5.433 12.650 -12.130 1.00 0.00 C ATOM 899 OE1 GLU A 57 4.304 13.099 -12.412 1.00 0.00 O ATOM 900 OE2 GLU A 57 6.488 13.300 -12.288 1.00 0.00 O ATOM 0 H GLU A 57 4.370 9.010 -9.061 1.00 0.00 H new ATOM 0 HA GLU A 57 5.752 11.417 -9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.070 9.876 -10.814 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.528 11.541 -10.879 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.473 11.137 -11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.551 10.528 -12.389 1.00 0.00 H new ATOM 907 N ASP A 58 2.720 11.659 -7.914 1.00 0.00 N ATOM 908 CA ASP A 58 1.764 12.554 -7.274 1.00 0.00 C ATOM 909 C ASP A 58 0.895 11.796 -6.275 1.00 0.00 C ATOM 910 O ASP A 58 1.088 10.600 -6.051 1.00 0.00 O ATOM 911 CB ASP A 58 0.882 13.229 -8.325 1.00 0.00 C ATOM 912 CG ASP A 58 0.763 14.725 -8.107 1.00 0.00 C ATOM 913 OD1 ASP A 58 1.798 15.368 -7.831 1.00 0.00 O ATOM 914 OD2 ASP A 58 -0.364 15.252 -8.212 1.00 0.00 O ATOM 0 H ASP A 58 2.482 10.670 -7.847 1.00 0.00 H new ATOM 0 HA ASP A 58 2.324 13.318 -6.735 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.294 13.041 -9.316 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.112 12.781 -8.303 1.00 0.00 H new ATOM 919 N ARG A 59 -0.060 12.499 -5.676 1.00 0.00 N ATOM 920 CA ARG A 59 -0.956 11.893 -4.698 1.00 0.00 C ATOM 921 C ARG A 59 -1.954 10.961 -5.379 1.00 0.00 C ATOM 922 O ARG A 59 -2.226 9.863 -4.896 1.00 0.00 O ATOM 923 CB ARG A 59 -1.704 12.977 -3.919 1.00 0.00 C ATOM 924 CG ARG A 59 -2.814 12.434 -3.033 1.00 0.00 C ATOM 925 CD ARG A 59 -4.177 12.594 -3.686 1.00 0.00 C ATOM 926 NE ARG A 59 -5.266 12.413 -2.731 1.00 0.00 N ATOM 927 CZ ARG A 59 -6.521 12.157 -3.086 1.00 0.00 C ATOM 928 NH1 ARG A 59 -6.842 12.053 -4.369 1.00 0.00 N ATOM 929 NH2 ARG A 59 -7.457 12.003 -2.158 1.00 0.00 N ATOM 0 H ARG A 59 -0.234 13.489 -5.851 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.353 11.307 -4.004 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.993 13.525 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.130 13.691 -4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.631 11.380 -2.824 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.805 12.955 -2.076 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.250 13.585 -4.135 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.279 11.869 -4.494 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.052 12.487 -1.736 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.125 12.170 -5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.806 11.856 -4.639 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.214 12.081 -1.170 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.420 11.807 -2.432 1.00 0.00 H new ATOM 943 N GLY A 60 -2.499 11.408 -6.507 1.00 0.00 N ATOM 944 CA GLY A 60 -3.461 10.603 -7.237 1.00 0.00 C ATOM 945 C GLY A 60 -2.942 9.211 -7.539 1.00 0.00 C ATOM 946 O GLY A 60 -3.597 8.216 -7.229 1.00 0.00 O ATOM 0 H GLY A 60 -2.291 12.313 -6.928 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.381 10.527 -6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.714 11.104 -8.172 1.00 0.00 H new ATOM 950 N ALA A 61 -1.762 9.140 -8.146 1.00 0.00 N ATOM 951 CA ALA A 61 -1.155 7.860 -8.490 1.00 0.00 C ATOM 952 C ALA A 61 -1.033 6.964 -7.262 1.00 0.00 C ATOM 953 O ALA A 61 -1.013 5.739 -7.376 1.00 0.00 O ATOM 954 CB ALA A 61 0.209 8.077 -9.126 1.00 0.00 C ATOM 0 H ALA A 61 -1.207 9.954 -8.410 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.803 7.359 -9.210 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.651 7.113 -9.378 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.097 8.673 -10.032 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.858 8.601 -8.425 1.00 0.00 H new ATOM 960 N ALA A 62 -0.951 7.583 -6.089 1.00 0.00 N ATOM 961 CA ALA A 62 -0.832 6.841 -4.840 1.00 0.00 C ATOM 962 C ALA A 62 -2.199 6.385 -4.340 1.00 0.00 C ATOM 963 O ALA A 62 -2.395 5.211 -4.024 1.00 0.00 O ATOM 964 CB ALA A 62 -0.139 7.691 -3.785 1.00 0.00 C ATOM 0 H ALA A 62 -0.965 8.597 -5.978 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.229 5.953 -5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.057 7.124 -2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.857 7.963 -4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.720 8.596 -3.607 1.00 0.00 H new ATOM 970 N VAL A 63 -3.141 7.320 -4.271 1.00 0.00 N ATOM 971 CA VAL A 63 -4.489 7.014 -3.809 1.00 0.00 C ATOM 972 C VAL A 63 -5.166 5.999 -4.724 1.00 0.00 C ATOM 973 O VAL A 63 -5.691 4.984 -4.263 1.00 0.00 O ATOM 974 CB VAL A 63 -5.360 8.283 -3.736 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.747 7.949 -3.212 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.691 9.338 -2.868 1.00 0.00 C ATOM 0 H VAL A 63 -2.995 8.296 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.392 6.591 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.467 8.688 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.348 8.857 -3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.224 7.231 -3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.665 7.519 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.320 10.228 -2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.552 8.946 -1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.722 9.598 -3.293 1.00 0.00 H new ATOM 986 N LYS A 64 -5.149 6.277 -6.023 1.00 0.00 N ATOM 987 CA LYS A 64 -5.760 5.388 -7.004 1.00 0.00 C ATOM 988 C LYS A 64 -5.177 3.983 -6.901 1.00 0.00 C ATOM 989 O LYS A 64 -5.829 3.002 -7.258 1.00 0.00 O ATOM 990 CB LYS A 64 -5.552 5.937 -8.417 1.00 0.00 C ATOM 991 CG LYS A 64 -5.989 4.978 -9.511 1.00 0.00 C ATOM 992 CD LYS A 64 -4.797 4.348 -10.211 1.00 0.00 C ATOM 993 CE LYS A 64 -5.235 3.342 -11.264 1.00 0.00 C ATOM 994 NZ LYS A 64 -6.127 3.960 -12.283 1.00 0.00 N ATOM 0 H LYS A 64 -4.718 7.112 -6.421 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.828 5.334 -6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.106 6.870 -8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.497 6.175 -8.554 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.615 4.196 -9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.600 5.511 -10.240 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.195 5.127 -10.679 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.162 3.853 -9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.356 2.925 -11.756 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.754 2.514 -10.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.253 3.302 -13.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.052 4.167 -11.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.700 4.843 -12.629 1.00 0.00 H new ATOM 1008 N ALA A 65 -3.944 3.893 -6.411 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.275 2.606 -6.260 1.00 0.00 C ATOM 1010 C ALA A 65 -3.653 1.944 -4.939 1.00 0.00 C ATOM 1011 O ALA A 65 -4.236 0.860 -4.922 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.767 2.782 -6.351 1.00 0.00 C ATOM 0 H ALA A 65 -3.389 4.695 -6.112 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.604 1.955 -7.070 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.280 1.814 -6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.508 3.206 -7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.431 3.453 -5.560 1.00 0.00 H new ATOM 1018 N MET A 66 -3.317 2.601 -3.834 1.00 0.00 N ATOM 1019 CA MET A 66 -3.622 2.075 -2.509 1.00 0.00 C ATOM 1020 C MET A 66 -5.103 1.726 -2.391 1.00 0.00 C ATOM 1021 O MET A 66 -5.480 0.827 -1.638 1.00 0.00 O ATOM 1022 CB MET A 66 -3.238 3.092 -1.432 1.00 0.00 C ATOM 1023 CG MET A 66 -3.713 2.710 -0.039 1.00 0.00 C ATOM 1024 SD MET A 66 -5.192 3.611 0.462 1.00 0.00 S ATOM 1025 CE MET A 66 -4.501 5.225 0.818 1.00 0.00 C ATOM 0 H MET A 66 -2.833 3.499 -3.830 1.00 0.00 H new ATOM 0 HA MET A 66 -3.039 1.165 -2.363 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.154 3.204 -1.419 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.656 4.064 -1.696 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.917 1.640 -0.010 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.915 2.902 0.678 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.229 5.819 1.370 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.598 5.110 1.417 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.255 5.730 -0.116 1.00 0.00 H new ATOM 1035 N ASP A 67 -5.936 2.441 -3.137 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.375 2.206 -3.117 1.00 0.00 C ATOM 1037 C ASP A 67 -7.691 0.741 -3.401 1.00 0.00 C ATOM 1038 O ASP A 67 -8.503 0.126 -2.710 1.00 0.00 O ATOM 1039 CB ASP A 67 -8.075 3.100 -4.142 1.00 0.00 C ATOM 1040 CG ASP A 67 -8.768 4.285 -3.500 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -8.109 5.009 -2.725 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -9.970 4.488 -3.770 1.00 0.00 O ATOM 0 H ASP A 67 -5.640 3.189 -3.764 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.744 2.452 -2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.344 3.459 -4.866 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.807 2.510 -4.694 1.00 0.00 H new ATOM 1047 N GLU A 68 -7.043 0.189 -4.422 1.00 0.00 N ATOM 1048 CA GLU A 68 -7.257 -1.204 -4.799 1.00 0.00 C ATOM 1049 C GLU A 68 -6.251 -2.116 -4.105 1.00 0.00 C ATOM 1050 O GLU A 68 -6.612 -3.163 -3.569 1.00 0.00 O ATOM 1051 CB GLU A 68 -7.149 -1.367 -6.316 1.00 0.00 C ATOM 1052 CG GLU A 68 -8.043 -0.418 -7.097 1.00 0.00 C ATOM 1053 CD GLU A 68 -9.499 -0.515 -6.683 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -10.170 -1.483 -7.099 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -9.967 0.375 -5.944 1.00 0.00 O ATOM 0 H GLU A 68 -6.366 0.684 -5.003 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.260 -1.490 -4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.114 -1.207 -6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.403 -2.393 -6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.695 0.605 -6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.956 -0.636 -8.161 1.00 0.00 H new ATOM 1062 N MET A 69 -4.985 -1.709 -4.120 1.00 0.00 N ATOM 1063 CA MET A 69 -3.925 -2.489 -3.491 1.00 0.00 C ATOM 1064 C MET A 69 -4.283 -2.828 -2.047 1.00 0.00 C ATOM 1065 O MET A 69 -3.906 -3.882 -1.536 1.00 0.00 O ATOM 1066 CB MET A 69 -2.602 -1.721 -3.535 1.00 0.00 C ATOM 1067 CG MET A 69 -2.068 -1.511 -4.942 1.00 0.00 C ATOM 1068 SD MET A 69 -1.616 -3.058 -5.751 1.00 0.00 S ATOM 1069 CE MET A 69 -0.346 -3.662 -4.642 1.00 0.00 C ATOM 0 H MET A 69 -4.669 -0.845 -4.560 1.00 0.00 H new ATOM 0 HA MET A 69 -3.814 -3.420 -4.047 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.739 -0.750 -3.058 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.858 -2.261 -2.950 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.822 -0.999 -5.540 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.196 -0.858 -4.902 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.544 -3.923 -5.215 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.097 -2.887 -3.918 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.711 -4.545 -4.117 1.00 0.00 H new ATOM 1079 N ASN A 70 -5.011 -1.928 -1.396 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.419 -2.131 -0.011 1.00 0.00 C ATOM 1081 C ASN A 70 -6.123 -3.475 0.158 1.00 0.00 C ATOM 1082 O ASN A 70 -7.250 -3.658 -0.299 1.00 0.00 O ATOM 1083 CB ASN A 70 -6.342 -0.999 0.443 1.00 0.00 C ATOM 1084 CG ASN A 70 -7.109 -1.348 1.704 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -8.281 -1.719 1.649 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -6.449 -1.229 2.850 1.00 0.00 N ATOM 0 H ASN A 70 -5.331 -1.050 -1.805 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.522 -2.130 0.609 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.751 -0.100 0.618 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.047 -0.767 -0.355 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.913 -1.449 3.731 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.478 -0.918 2.849 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.448 -4.412 0.818 1.00 0.00 N ATOM 1094 CA GLY A 71 -6.024 -5.726 1.036 1.00 0.00 C ATOM 1095 C GLY A 71 -5.783 -6.664 -0.130 1.00 0.00 C ATOM 1096 O GLY A 71 -6.688 -7.381 -0.557 1.00 0.00 O ATOM 0 H GLY A 71 -4.513 -4.284 1.205 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.600 -6.160 1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.097 -5.626 1.203 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.559 -6.661 -0.647 1.00 0.00 N ATOM 1101 CA LYS A 72 -4.200 -7.517 -1.772 1.00 0.00 C ATOM 1102 C LYS A 72 -3.350 -8.695 -1.307 1.00 0.00 C ATOM 1103 O LYS A 72 -2.918 -8.745 -0.155 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.443 -6.714 -2.830 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.338 -6.144 -3.917 1.00 0.00 C ATOM 1106 CD LYS A 72 -4.817 -7.226 -4.869 1.00 0.00 C ATOM 1107 CE LYS A 72 -4.102 -7.146 -6.210 1.00 0.00 C ATOM 1108 NZ LYS A 72 -4.979 -7.578 -7.333 1.00 0.00 N ATOM 0 H LYS A 72 -3.798 -6.075 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.120 -7.905 -2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.912 -5.896 -2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.690 -7.354 -3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.198 -5.653 -3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.794 -5.382 -4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.647 -8.206 -4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.892 -7.128 -5.022 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.768 -6.123 -6.383 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.210 -7.772 -6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.455 -7.509 -8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.277 -8.563 -7.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.818 -6.965 -7.374 1.00 0.00 H new ATOM 1122 N GLU A 73 -3.111 -9.640 -2.211 1.00 0.00 N ATOM 1123 CA GLU A 73 -2.311 -10.817 -1.893 1.00 0.00 C ATOM 1124 C GLU A 73 -1.056 -10.872 -2.759 1.00 0.00 C ATOM 1125 O GLU A 73 -1.130 -11.122 -3.962 1.00 0.00 O ATOM 1126 CB GLU A 73 -3.136 -12.090 -2.089 1.00 0.00 C ATOM 1127 CG GLU A 73 -2.318 -13.367 -1.989 1.00 0.00 C ATOM 1128 CD GLU A 73 -3.176 -14.616 -2.054 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -4.337 -14.563 -1.595 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -2.687 -15.647 -2.562 1.00 0.00 O ATOM 0 H GLU A 73 -3.460 -9.613 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.008 -10.747 -0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.929 -12.117 -1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.619 -12.053 -3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.587 -13.390 -2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.758 -13.363 -1.054 1.00 0.00 H new ATOM 1137 N ILE A 74 0.095 -10.637 -2.138 1.00 0.00 N ATOM 1138 CA ILE A 74 1.366 -10.660 -2.852 1.00 0.00 C ATOM 1139 C ILE A 74 2.262 -11.783 -2.342 1.00 0.00 C ATOM 1140 O ILE A 74 2.564 -11.857 -1.151 1.00 0.00 O ATOM 1141 CB ILE A 74 2.113 -9.320 -2.715 1.00 0.00 C ATOM 1142 CG1 ILE A 74 1.249 -8.174 -3.246 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.441 -9.377 -3.455 1.00 0.00 C ATOM 1144 CD1 ILE A 74 1.863 -6.807 -3.034 1.00 0.00 C ATOM 0 H ILE A 74 0.174 -10.429 -1.143 1.00 0.00 H new ATOM 0 HA ILE A 74 1.135 -10.832 -3.903 1.00 0.00 H new ATOM 0 HB ILE A 74 2.315 -9.139 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.075 -8.324 -4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.276 -8.206 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.958 -8.423 -3.349 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.057 -10.172 -3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.261 -9.577 -4.511 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.197 -6.043 -3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.012 -6.636 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.823 -6.756 -3.547 1.00 0.00 H new ATOM 1156 N GLU A 75 2.686 -12.654 -3.251 1.00 0.00 N ATOM 1157 CA GLU A 75 3.550 -13.774 -2.893 1.00 0.00 C ATOM 1158 C GLU A 75 2.898 -14.643 -1.821 1.00 0.00 C ATOM 1159 O GLU A 75 3.580 -15.231 -0.984 1.00 0.00 O ATOM 1160 CB GLU A 75 4.904 -13.263 -2.396 1.00 0.00 C ATOM 1161 CG GLU A 75 6.086 -14.056 -2.927 1.00 0.00 C ATOM 1162 CD GLU A 75 6.002 -15.530 -2.581 1.00 0.00 C ATOM 1163 OE1 GLU A 75 6.167 -15.871 -1.392 1.00 0.00 O ATOM 1164 OE2 GLU A 75 5.769 -16.342 -3.501 1.00 0.00 O ATOM 0 H GLU A 75 2.446 -12.606 -4.241 1.00 0.00 H new ATOM 0 HA GLU A 75 3.703 -14.381 -3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.018 -12.219 -2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.917 -13.294 -1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.137 -13.943 -4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.009 -13.643 -2.519 1.00 0.00 H new ATOM 1171 N GLY A 76 1.570 -14.717 -1.856 1.00 0.00 N ATOM 1172 CA GLY A 76 0.847 -15.515 -0.883 1.00 0.00 C ATOM 1173 C GLY A 76 0.994 -14.983 0.529 1.00 0.00 C ATOM 1174 O GLY A 76 0.826 -15.722 1.498 1.00 0.00 O ATOM 0 H GLY A 76 0.983 -14.239 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.209 -15.539 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.209 -16.543 -0.920 1.00 0.00 H new ATOM 1178 N GLU A 77 1.311 -13.697 0.645 1.00 0.00 N ATOM 1179 CA GLU A 77 1.484 -13.068 1.949 1.00 0.00 C ATOM 1180 C GLU A 77 0.505 -11.911 2.129 1.00 0.00 C ATOM 1181 O GLU A 77 0.452 -10.997 1.308 1.00 0.00 O ATOM 1182 CB GLU A 77 2.920 -12.565 2.111 1.00 0.00 C ATOM 1183 CG GLU A 77 3.903 -13.651 2.517 1.00 0.00 C ATOM 1184 CD GLU A 77 3.975 -13.840 4.019 1.00 0.00 C ATOM 1185 OE1 GLU A 77 4.554 -12.966 4.700 1.00 0.00 O ATOM 1186 OE2 GLU A 77 3.454 -14.860 4.515 1.00 0.00 O ATOM 0 H GLU A 77 1.453 -13.071 -0.148 1.00 0.00 H new ATOM 0 HA GLU A 77 1.280 -13.816 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.249 -12.122 1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.936 -11.773 2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.613 -14.592 2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.894 -13.399 2.138 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.268 -11.961 3.209 1.00 0.00 N ATOM 1194 CA GLU A 78 -1.246 -10.919 3.497 1.00 0.00 C ATOM 1195 C GLU A 78 -0.559 -9.577 3.729 1.00 0.00 C ATOM 1196 O GLU A 78 0.002 -9.332 4.797 1.00 0.00 O ATOM 1197 CB GLU A 78 -2.081 -11.296 4.723 1.00 0.00 C ATOM 1198 CG GLU A 78 -3.476 -11.792 4.380 1.00 0.00 C ATOM 1199 CD GLU A 78 -4.536 -11.248 5.318 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -4.355 -11.362 6.548 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -5.547 -10.707 4.821 1.00 0.00 O ATOM 0 H GLU A 78 -0.236 -12.712 3.899 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.904 -10.826 2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.557 -12.069 5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.164 -10.428 5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.719 -11.504 3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.489 -12.881 4.416 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.606 -8.712 2.721 1.00 0.00 N ATOM 1209 CA ILE A 79 0.012 -7.395 2.816 1.00 0.00 C ATOM 1210 C ILE A 79 -1.003 -6.342 3.247 1.00 0.00 C ATOM 1211 O ILE A 79 -2.186 -6.437 2.923 1.00 0.00 O ATOM 1212 CB ILE A 79 0.638 -6.970 1.475 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.438 -6.880 0.390 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.729 -7.948 1.065 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -0.529 -5.516 -0.258 1.00 0.00 C ATOM 0 H ILE A 79 -1.065 -8.899 1.830 1.00 0.00 H new ATOM 0 HA ILE A 79 0.798 -7.468 3.568 1.00 0.00 H new ATOM 0 HB ILE A 79 1.088 -5.985 1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.231 -7.625 -0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.405 -7.131 0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.161 -7.633 0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.506 -7.967 1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.302 -8.945 0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.312 -5.525 -1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.766 -4.769 0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.425 -5.270 -0.724 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.531 -5.338 3.979 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.398 -4.266 4.454 1.00 0.00 C ATOM 1229 C GLU A 80 -0.956 -2.919 3.890 1.00 0.00 C ATOM 1230 O GLU A 80 0.204 -2.741 3.518 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.395 -4.216 5.983 1.00 0.00 C ATOM 1232 CG GLU A 80 -2.770 -4.406 6.601 1.00 0.00 C ATOM 1233 CD GLU A 80 -2.702 -4.845 8.052 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -1.578 -5.009 8.569 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -3.773 -5.026 8.668 1.00 0.00 O ATOM 0 H GLU A 80 0.446 -5.244 4.256 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.410 -4.472 4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.726 -4.988 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.990 -3.257 6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.327 -3.471 6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.323 -5.149 6.026 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.890 -1.974 3.829 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.596 -0.644 3.311 1.00 0.00 C ATOM 1244 C ILE A 81 -2.340 0.429 4.100 1.00 0.00 C ATOM 1245 O ILE A 81 -3.507 0.261 4.451 1.00 0.00 O ATOM 1246 CB ILE A 81 -1.973 -0.524 1.823 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.390 -1.696 1.030 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.483 0.801 1.257 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -1.739 -1.665 -0.442 1.00 0.00 C ATOM 0 H ILE A 81 -2.855 -2.106 4.132 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.522 -0.493 3.419 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.059 -0.555 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.305 -1.693 1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.750 -2.630 1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.757 0.871 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.941 1.623 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.399 0.859 1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.292 -2.525 -0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.822 -1.699 -0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.355 -0.748 -0.888 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.655 1.535 4.374 1.00 0.00 N ATOM 1262 CA VAL A 82 -2.250 2.638 5.118 1.00 0.00 C ATOM 1263 C VAL A 82 -1.639 3.972 4.706 1.00 0.00 C ATOM 1264 O VAL A 82 -0.571 4.016 4.095 1.00 0.00 O ATOM 1265 CB VAL A 82 -2.070 2.451 6.637 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.789 1.197 7.110 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.593 2.397 6.995 1.00 0.00 C ATOM 0 H VAL A 82 -0.687 1.690 4.092 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.314 2.641 4.883 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.512 3.307 7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.650 1.082 8.185 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.853 1.282 6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.380 0.327 6.596 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.484 2.265 8.071 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.123 1.561 6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.111 3.327 6.693 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.324 5.060 5.044 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.849 6.398 4.710 1.00 0.00 C ATOM 1279 C LEU A 83 -0.761 6.848 5.679 1.00 0.00 C ATOM 1280 O LEU A 83 -0.954 6.832 6.895 1.00 0.00 O ATOM 1281 CB LEU A 83 -3.011 7.392 4.731 1.00 0.00 C ATOM 1282 CG LEU A 83 -3.878 7.438 3.472 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -5.180 8.174 3.748 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -3.123 8.098 2.328 1.00 0.00 C ATOM 0 H LEU A 83 -3.210 5.041 5.549 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.424 6.366 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.651 7.154 5.580 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.607 8.389 4.906 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.117 6.415 3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.784 8.197 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.729 7.659 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.961 9.194 4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.755 8.122 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.854 9.116 2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.218 7.530 2.113 1.00 0.00 H new ATOM 1296 N ALA A 84 0.382 7.251 5.134 1.00 0.00 N ATOM 1297 CA ALA A 84 1.498 7.709 5.950 1.00 0.00 C ATOM 1298 C ALA A 84 1.511 9.231 6.059 1.00 0.00 C ATOM 1299 O ALA A 84 1.208 9.935 5.095 1.00 0.00 O ATOM 1300 CB ALA A 84 2.815 7.210 5.373 1.00 0.00 C ATOM 0 H ALA A 84 0.559 7.269 4.130 1.00 0.00 H new ATOM 0 HA ALA A 84 1.374 7.299 6.952 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.640 7.560 5.993 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.814 6.120 5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.936 7.592 4.359 1.00 0.00 H new