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=-0.00523 K(o=-0.0052,f=-1.5) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.006 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 59:sc= 0.453 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+ -169:sc= 0 (180deg=-0.0214) USER MOD Single : A 47 LYS NZ :NH3+ 137:sc= 0.0416 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 150:sc= -0.0277 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -153:sc= -0.348 (180deg=-1.24) USER MOD Single : A 69 MET CE :methyl 178:sc= -1.67 (180deg=-1.68) USER MOD Single : A 70 ASN : amide:sc= -0.324 K(o=-0.32,f=-1.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 210 N VAL A 17 2.671 9.602 -0.026 1.00 0.00 N ATOM 211 CA VAL A 17 3.430 8.452 0.449 1.00 0.00 C ATOM 212 C VAL A 17 2.515 7.416 1.092 1.00 0.00 C ATOM 213 O VAL A 17 1.644 7.754 1.894 1.00 0.00 O ATOM 214 CB VAL A 17 4.508 8.872 1.468 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.392 7.688 1.829 1.00 0.00 C ATOM 216 CG2 VAL A 17 5.339 10.021 0.918 1.00 0.00 C ATOM 0 HA VAL A 17 3.916 8.012 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 17 4.012 9.214 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.147 8.004 2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.781 6.898 2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.882 7.313 0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.095 10.306 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.827 9.708 -0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.691 10.874 0.715 1.00 0.00 H new ATOM 226 N LEU A 18 2.719 6.153 0.736 1.00 0.00 N ATOM 227 CA LEU A 18 1.912 5.065 1.279 1.00 0.00 C ATOM 228 C LEU A 18 2.759 4.138 2.144 1.00 0.00 C ATOM 229 O LEU A 18 3.869 3.762 1.767 1.00 0.00 O ATOM 230 CB LEU A 18 1.261 4.271 0.145 1.00 0.00 C ATOM 231 CG LEU A 18 0.452 5.085 -0.866 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.447 4.397 -2.222 1.00 0.00 C ATOM 233 CD2 LEU A 18 -0.969 5.294 -0.366 1.00 0.00 C ATOM 0 H LEU A 18 3.436 5.856 0.074 1.00 0.00 H new ATOM 0 HA LEU A 18 1.132 5.501 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.044 3.736 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.605 3.520 0.584 1.00 0.00 H new ATOM 0 HG LEU A 18 0.923 6.061 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.133 4.990 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.470 4.300 -2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.000 3.407 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.530 5.875 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.451 4.327 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.946 5.830 0.583 1.00 0.00 H new ATOM 245 N PHE A 19 2.227 3.770 3.305 1.00 0.00 N ATOM 246 CA PHE A 19 2.934 2.884 4.223 1.00 0.00 C ATOM 247 C PHE A 19 2.452 1.444 4.069 1.00 0.00 C ATOM 248 O PHE A 19 1.389 1.077 4.566 1.00 0.00 O ATOM 249 CB PHE A 19 2.736 3.348 5.667 1.00 0.00 C ATOM 250 CG PHE A 19 3.481 2.517 6.672 1.00 0.00 C ATOM 251 CD1 PHE A 19 4.844 2.686 6.857 1.00 0.00 C ATOM 252 CD2 PHE A 19 2.819 1.565 7.431 1.00 0.00 C ATOM 253 CE1 PHE A 19 5.531 1.923 7.781 1.00 0.00 C ATOM 254 CE2 PHE A 19 3.501 0.800 8.356 1.00 0.00 C ATOM 255 CZ PHE A 19 4.860 0.977 8.532 1.00 0.00 C ATOM 0 H PHE A 19 1.309 4.071 3.632 1.00 0.00 H new ATOM 0 HA PHE A 19 3.996 2.921 3.979 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.059 4.385 5.754 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.673 3.324 5.905 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.375 3.423 6.272 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.757 1.420 7.297 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.593 2.066 7.916 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.972 0.063 8.942 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.396 0.378 9.254 1.00 0.00 H new ATOM 265 N VAL A 20 3.244 0.632 3.375 1.00 0.00 N ATOM 266 CA VAL A 20 2.901 -0.767 3.155 1.00 0.00 C ATOM 267 C VAL A 20 3.603 -1.670 4.163 1.00 0.00 C ATOM 268 O VAL A 20 4.821 -1.843 4.114 1.00 0.00 O ATOM 269 CB VAL A 20 3.273 -1.220 1.731 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.745 -2.620 1.460 1.00 0.00 C ATOM 271 CG2 VAL A 20 2.739 -0.232 0.703 1.00 0.00 C ATOM 0 H VAL A 20 4.128 0.920 2.956 1.00 0.00 H new ATOM 0 HA VAL A 20 1.822 -0.852 3.285 1.00 0.00 H new ATOM 0 HB VAL A 20 4.360 -1.246 1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.018 -2.922 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.178 -3.317 2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.660 -2.625 1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.010 -0.566 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.654 -0.173 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.170 0.752 0.886 1.00 0.00 H new ATOM 281 N ARG A 21 2.827 -2.245 5.076 1.00 0.00 N ATOM 282 CA ARG A 21 3.375 -3.131 6.096 1.00 0.00 C ATOM 283 C ARG A 21 3.089 -4.591 5.758 1.00 0.00 C ATOM 284 O ARG A 21 2.343 -4.888 4.827 1.00 0.00 O ATOM 285 CB ARG A 21 2.787 -2.789 7.467 1.00 0.00 C ATOM 286 CG ARG A 21 1.304 -3.095 7.587 1.00 0.00 C ATOM 287 CD ARG A 21 0.736 -2.593 8.906 1.00 0.00 C ATOM 288 NE ARG A 21 -0.035 -3.621 9.598 1.00 0.00 N ATOM 289 CZ ARG A 21 -0.878 -3.364 10.591 1.00 0.00 C ATOM 290 NH1 ARG A 21 -1.059 -2.118 11.007 1.00 0.00 N ATOM 291 NH2 ARG A 21 -1.544 -4.355 11.172 1.00 0.00 N ATOM 0 H ARG A 21 1.817 -2.113 5.130 1.00 0.00 H new ATOM 0 HA ARG A 21 4.455 -2.988 6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.327 -3.345 8.233 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.948 -1.730 7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.768 -2.632 6.759 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.146 -4.171 7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.551 -2.259 9.547 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.101 -1.727 8.721 1.00 0.00 H new ATOM 0 HE ARG A 21 0.080 -4.590 9.302 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.550 -1.353 10.564 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.707 -1.924 11.770 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.408 -5.315 10.856 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.191 -4.156 11.935 1.00 0.00 H new ATOM 305 N ASN A 22 3.689 -5.498 6.523 1.00 0.00 N ATOM 306 CA ASN A 22 3.500 -6.927 6.304 1.00 0.00 C ATOM 307 C ASN A 22 3.899 -7.318 4.884 1.00 0.00 C ATOM 308 O ASN A 22 3.045 -7.611 4.046 1.00 0.00 O ATOM 309 CB ASN A 22 2.043 -7.316 6.561 1.00 0.00 C ATOM 310 CG ASN A 22 1.686 -7.279 8.035 1.00 0.00 C ATOM 311 OD1 ASN A 22 2.412 -6.703 8.846 1.00 0.00 O ATOM 312 ND2 ASN A 22 0.565 -7.895 8.387 1.00 0.00 N ATOM 0 H ASN A 22 4.310 -5.268 7.299 1.00 0.00 H new ATOM 0 HA ASN A 22 4.141 -7.463 7.003 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.387 -6.639 6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.863 -8.318 6.171 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.273 -7.904 9.364 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.005 -8.359 7.680 1.00 0.00 H new ATOM 319 N LEU A 23 5.201 -7.319 4.619 1.00 0.00 N ATOM 320 CA LEU A 23 5.714 -7.674 3.301 1.00 0.00 C ATOM 321 C LEU A 23 6.347 -9.062 3.318 1.00 0.00 C ATOM 322 O LEU A 23 6.439 -9.699 4.367 1.00 0.00 O ATOM 323 CB LEU A 23 6.741 -6.640 2.837 1.00 0.00 C ATOM 324 CG LEU A 23 6.178 -5.407 2.127 1.00 0.00 C ATOM 325 CD1 LEU A 23 5.090 -4.757 2.969 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.288 -4.411 1.826 1.00 0.00 C ATOM 0 H LEU A 23 5.921 -7.078 5.300 1.00 0.00 H new ATOM 0 HA LEU A 23 4.876 -7.685 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.309 -6.307 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.444 -7.132 2.165 1.00 0.00 H new ATOM 0 HG LEU A 23 5.737 -5.725 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.701 -3.882 2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.282 -5.470 3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.506 -4.453 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.869 -3.541 1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.759 -4.098 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.033 -4.880 1.183 1.00 0.00 H new ATOM 338 N ALA A 24 6.781 -9.523 2.150 1.00 0.00 N ATOM 339 CA ALA A 24 7.408 -10.833 2.031 1.00 0.00 C ATOM 340 C ALA A 24 8.929 -10.717 2.035 1.00 0.00 C ATOM 341 O ALA A 24 9.489 -9.733 1.549 1.00 0.00 O ATOM 342 CB ALA A 24 6.935 -11.533 0.767 1.00 0.00 C ATOM 0 H ALA A 24 6.710 -9.008 1.272 1.00 0.00 H new ATOM 0 HA ALA A 24 7.112 -11.428 2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.412 -12.510 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.853 -11.659 0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.200 -10.932 -0.103 1.00 0.00 H new ATOM 348 N THR A 25 9.595 -11.726 2.589 1.00 0.00 N ATOM 349 CA THR A 25 11.050 -11.736 2.658 1.00 0.00 C ATOM 350 C THR A 25 11.657 -12.305 1.381 1.00 0.00 C ATOM 351 O THR A 25 12.798 -11.998 1.031 1.00 0.00 O ATOM 352 CB THR A 25 11.550 -12.557 3.861 1.00 0.00 C ATOM 353 OG1 THR A 25 10.646 -12.414 4.962 1.00 0.00 O ATOM 354 CG2 THR A 25 12.943 -12.110 4.280 1.00 0.00 C ATOM 0 H THR A 25 9.148 -12.547 2.997 1.00 0.00 H new ATOM 0 HA THR A 25 11.368 -10.700 2.778 1.00 0.00 H new ATOM 0 HB THR A 25 11.596 -13.605 3.564 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.970 -12.941 5.722 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.275 -12.704 5.131 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.635 -12.248 3.449 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.918 -11.057 4.560 1.00 0.00 H new ATOM 362 N THR A 26 10.888 -13.136 0.684 1.00 0.00 N ATOM 363 CA THR A 26 11.350 -13.749 -0.554 1.00 0.00 C ATOM 364 C THR A 26 11.273 -12.765 -1.717 1.00 0.00 C ATOM 365 O THR A 26 12.062 -12.837 -2.658 1.00 0.00 O ATOM 366 CB THR A 26 10.527 -15.003 -0.902 1.00 0.00 C ATOM 367 OG1 THR A 26 9.190 -14.629 -1.253 1.00 0.00 O ATOM 368 CG2 THR A 26 10.497 -15.973 0.269 1.00 0.00 C ATOM 0 H THR A 26 9.941 -13.400 0.957 1.00 0.00 H new ATOM 0 HA THR A 26 12.389 -14.039 -0.394 1.00 0.00 H new ATOM 0 HB THR A 26 11.000 -15.498 -1.750 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.673 -15.432 -1.475 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.910 -16.851 -0.001 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.514 -16.278 0.515 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.045 -15.486 1.133 1.00 0.00 H new ATOM 376 N VAL A 27 10.316 -11.845 -1.644 1.00 0.00 N ATOM 377 CA VAL A 27 10.136 -10.845 -2.690 1.00 0.00 C ATOM 378 C VAL A 27 11.304 -9.865 -2.721 1.00 0.00 C ATOM 379 O VAL A 27 12.058 -9.751 -1.753 1.00 0.00 O ATOM 380 CB VAL A 27 8.827 -10.059 -2.496 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.639 -11.007 -2.435 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.900 -9.204 -1.240 1.00 0.00 C ATOM 0 H VAL A 27 9.654 -11.772 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 27 10.091 -11.383 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 27 8.691 -9.398 -3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.722 -10.433 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.577 -11.573 -3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.765 -11.695 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.966 -8.655 -1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.060 -9.844 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.726 -8.499 -1.327 1.00 0.00 H new ATOM 392 N THR A 28 11.449 -9.160 -3.838 1.00 0.00 N ATOM 393 CA THR A 28 12.525 -8.190 -3.994 1.00 0.00 C ATOM 394 C THR A 28 11.978 -6.816 -4.365 1.00 0.00 C ATOM 395 O THR A 28 10.809 -6.681 -4.726 1.00 0.00 O ATOM 396 CB THR A 28 13.531 -8.637 -5.073 1.00 0.00 C ATOM 397 OG1 THR A 28 14.633 -7.724 -5.123 1.00 0.00 O ATOM 398 CG2 THR A 28 12.864 -8.710 -6.438 1.00 0.00 C ATOM 0 H THR A 28 10.835 -9.243 -4.648 1.00 0.00 H new ATOM 0 HA THR A 28 13.036 -8.127 -3.033 1.00 0.00 H new ATOM 0 HB THR A 28 13.894 -9.631 -4.811 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.269 -8.016 -5.810 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.594 -9.027 -7.183 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.044 -9.427 -6.404 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.476 -7.727 -6.706 1.00 0.00 H new ATOM 406 N GLU A 29 12.830 -5.800 -4.272 1.00 0.00 N ATOM 407 CA GLU A 29 12.429 -4.436 -4.597 1.00 0.00 C ATOM 408 C GLU A 29 11.869 -4.357 -6.014 1.00 0.00 C ATOM 409 O GLU A 29 11.032 -3.505 -6.314 1.00 0.00 O ATOM 410 CB GLU A 29 13.618 -3.484 -4.453 1.00 0.00 C ATOM 411 CG GLU A 29 13.870 -3.036 -3.023 1.00 0.00 C ATOM 412 CD GLU A 29 15.345 -3.018 -2.669 1.00 0.00 C ATOM 413 OE1 GLU A 29 16.126 -2.392 -3.415 1.00 0.00 O ATOM 414 OE2 GLU A 29 15.717 -3.631 -1.647 1.00 0.00 O ATOM 0 H GLU A 29 13.801 -5.895 -3.975 1.00 0.00 H new ATOM 0 HA GLU A 29 11.647 -4.138 -3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.514 -3.975 -4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.447 -2.606 -5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.454 -2.039 -2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.344 -3.702 -2.339 1.00 0.00 H new ATOM 421 N GLU A 30 12.336 -5.251 -6.880 1.00 0.00 N ATOM 422 CA GLU A 30 11.883 -5.281 -8.265 1.00 0.00 C ATOM 423 C GLU A 30 10.400 -5.634 -8.345 1.00 0.00 C ATOM 424 O GLU A 30 9.601 -4.879 -8.898 1.00 0.00 O ATOM 425 CB GLU A 30 12.702 -6.290 -9.072 1.00 0.00 C ATOM 426 CG GLU A 30 13.093 -5.792 -10.453 1.00 0.00 C ATOM 427 CD GLU A 30 13.969 -6.777 -11.202 1.00 0.00 C ATOM 428 OE1 GLU A 30 14.824 -7.419 -10.559 1.00 0.00 O ATOM 429 OE2 GLU A 30 13.798 -6.905 -12.433 1.00 0.00 O ATOM 0 H GLU A 30 13.027 -5.964 -6.647 1.00 0.00 H new ATOM 0 HA GLU A 30 12.026 -4.287 -8.688 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.606 -6.539 -8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.128 -7.211 -9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.191 -5.599 -11.034 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.620 -4.843 -10.357 1.00 0.00 H new ATOM 436 N ILE A 31 10.042 -6.787 -7.789 1.00 0.00 N ATOM 437 CA ILE A 31 8.657 -7.241 -7.797 1.00 0.00 C ATOM 438 C ILE A 31 7.726 -6.171 -7.235 1.00 0.00 C ATOM 439 O ILE A 31 6.708 -5.836 -7.844 1.00 0.00 O ATOM 440 CB ILE A 31 8.484 -8.535 -6.982 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.386 -9.638 -7.540 1.00 0.00 C ATOM 442 CG2 ILE A 31 7.028 -8.978 -6.993 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.592 -10.791 -6.582 1.00 0.00 C ATOM 0 H ILE A 31 10.692 -7.423 -7.328 1.00 0.00 H new ATOM 0 HA ILE A 31 8.395 -7.439 -8.836 1.00 0.00 H new ATOM 0 HB ILE A 31 8.776 -8.339 -5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.952 -10.018 -8.465 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.355 -9.210 -7.794 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.922 -9.894 -6.412 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.407 -8.197 -6.555 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.711 -9.160 -8.020 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.241 -11.536 -7.043 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.054 -10.424 -5.665 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.629 -11.245 -6.347 1.00 0.00 H new ATOM 455 N LEU A 32 8.081 -5.638 -6.072 1.00 0.00 N ATOM 456 CA LEU A 32 7.278 -4.604 -5.428 1.00 0.00 C ATOM 457 C LEU A 32 7.132 -3.384 -6.333 1.00 0.00 C ATOM 458 O LEU A 32 6.077 -2.752 -6.371 1.00 0.00 O ATOM 459 CB LEU A 32 7.911 -4.192 -4.097 1.00 0.00 C ATOM 460 CG LEU A 32 7.713 -5.163 -2.932 1.00 0.00 C ATOM 461 CD1 LEU A 32 8.906 -5.116 -1.989 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.427 -4.842 -2.184 1.00 0.00 C ATOM 0 H LEU A 32 8.919 -5.904 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 32 6.286 -5.015 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.981 -4.056 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.505 -3.222 -3.809 1.00 0.00 H new ATOM 0 HG LEU A 32 7.634 -6.173 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.747 -5.813 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.810 -5.394 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.017 -4.107 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.302 -5.543 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.477 -3.826 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.579 -4.928 -2.864 1.00 0.00 H new ATOM 474 N GLU A 33 8.198 -3.063 -7.060 1.00 0.00 N ATOM 475 CA GLU A 33 8.186 -1.921 -7.966 1.00 0.00 C ATOM 476 C GLU A 33 7.260 -2.174 -9.152 1.00 0.00 C ATOM 477 O GLU A 33 6.731 -1.240 -9.753 1.00 0.00 O ATOM 478 CB GLU A 33 9.602 -1.624 -8.465 1.00 0.00 C ATOM 479 CG GLU A 33 10.394 -0.714 -7.541 1.00 0.00 C ATOM 480 CD GLU A 33 11.893 -0.895 -7.690 1.00 0.00 C ATOM 481 OE1 GLU A 33 12.393 -0.785 -8.829 1.00 0.00 O ATOM 482 OE2 GLU A 33 12.565 -1.148 -6.668 1.00 0.00 O ATOM 0 H GLU A 33 9.079 -3.577 -7.039 1.00 0.00 H new ATOM 0 HA GLU A 33 7.813 -1.058 -7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.141 -2.564 -8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.542 -1.163 -9.451 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.134 0.324 -7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.108 -0.913 -6.508 1.00 0.00 H new ATOM 489 N LYS A 34 7.067 -3.447 -9.482 1.00 0.00 N ATOM 490 CA LYS A 34 6.205 -3.827 -10.594 1.00 0.00 C ATOM 491 C LYS A 34 4.757 -3.968 -10.137 1.00 0.00 C ATOM 492 O LYS A 34 3.828 -3.811 -10.929 1.00 0.00 O ATOM 493 CB LYS A 34 6.687 -5.142 -11.213 1.00 0.00 C ATOM 494 CG LYS A 34 7.427 -4.960 -12.526 1.00 0.00 C ATOM 495 CD LYS A 34 8.751 -5.706 -12.527 1.00 0.00 C ATOM 496 CE LYS A 34 9.515 -5.485 -13.823 1.00 0.00 C ATOM 497 NZ LYS A 34 8.995 -6.340 -14.927 1.00 0.00 N ATOM 0 H LYS A 34 7.497 -4.233 -8.994 1.00 0.00 H new ATOM 0 HA LYS A 34 6.254 -3.039 -11.345 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.341 -5.649 -10.504 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.828 -5.793 -11.377 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.806 -5.318 -13.347 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.606 -3.899 -12.700 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.358 -5.373 -11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.569 -6.772 -12.388 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.444 -4.436 -14.112 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.571 -5.701 -13.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.542 -6.160 -15.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.086 -7.342 -14.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.994 -6.116 -15.097 1.00 0.00 H new ATOM 511 N SER A 35 4.573 -4.265 -8.855 1.00 0.00 N ATOM 512 CA SER A 35 3.238 -4.429 -8.292 1.00 0.00 C ATOM 513 C SER A 35 2.472 -3.109 -8.316 1.00 0.00 C ATOM 514 O SER A 35 1.260 -3.085 -8.529 1.00 0.00 O ATOM 515 CB SER A 35 3.325 -4.955 -6.858 1.00 0.00 C ATOM 516 OG SER A 35 4.357 -5.919 -6.732 1.00 0.00 O ATOM 0 H SER A 35 5.332 -4.397 -8.186 1.00 0.00 H new ATOM 0 HA SER A 35 2.700 -5.153 -8.904 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.510 -4.127 -6.174 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.371 -5.398 -6.571 1.00 0.00 H new ATOM 0 HG SER A 35 5.213 -5.517 -6.989 1.00 0.00 H new ATOM 522 N PHE A 36 3.190 -2.013 -8.094 1.00 0.00 N ATOM 523 CA PHE A 36 2.579 -0.688 -8.088 1.00 0.00 C ATOM 524 C PHE A 36 2.698 -0.028 -9.459 1.00 0.00 C ATOM 525 O PHE A 36 1.854 0.780 -9.846 1.00 0.00 O ATOM 526 CB PHE A 36 3.237 0.195 -7.026 1.00 0.00 C ATOM 527 CG PHE A 36 2.886 -0.196 -5.619 1.00 0.00 C ATOM 528 CD1 PHE A 36 1.679 0.191 -5.059 1.00 0.00 C ATOM 529 CD2 PHE A 36 3.762 -0.951 -4.856 1.00 0.00 C ATOM 530 CE1 PHE A 36 1.354 -0.167 -3.765 1.00 0.00 C ATOM 531 CE2 PHE A 36 3.441 -1.313 -3.562 1.00 0.00 C ATOM 532 CZ PHE A 36 2.235 -0.921 -3.015 1.00 0.00 C ATOM 0 H PHE A 36 4.194 -2.016 -7.916 1.00 0.00 H new ATOM 0 HA PHE A 36 1.522 -0.804 -7.850 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.319 0.150 -7.148 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.940 1.231 -7.191 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.985 0.779 -5.641 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.707 -1.260 -5.278 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.411 0.143 -3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.133 -1.902 -2.978 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.982 -1.203 -2.004 1.00 0.00 H new ATOM 542 N SER A 37 3.753 -0.379 -10.188 1.00 0.00 N ATOM 543 CA SER A 37 3.985 0.182 -11.514 1.00 0.00 C ATOM 544 C SER A 37 2.774 -0.036 -12.416 1.00 0.00 C ATOM 545 O SER A 37 2.539 0.727 -13.353 1.00 0.00 O ATOM 546 CB SER A 37 5.227 -0.449 -12.146 1.00 0.00 C ATOM 547 OG SER A 37 5.317 -0.127 -13.524 1.00 0.00 O ATOM 0 H SER A 37 4.460 -1.048 -9.883 1.00 0.00 H new ATOM 0 HA SER A 37 4.146 1.255 -11.405 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.120 -0.099 -11.628 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.191 -1.532 -12.024 1.00 0.00 H new ATOM 0 HG SER A 37 6.120 -0.541 -13.905 1.00 0.00 H new ATOM 553 N GLU A 38 2.009 -1.084 -12.125 1.00 0.00 N ATOM 554 CA GLU A 38 0.822 -1.403 -12.911 1.00 0.00 C ATOM 555 C GLU A 38 -0.225 -0.299 -12.788 1.00 0.00 C ATOM 556 O GLU A 38 -1.046 -0.105 -13.685 1.00 0.00 O ATOM 557 CB GLU A 38 0.228 -2.737 -12.459 1.00 0.00 C ATOM 558 CG GLU A 38 1.224 -3.885 -12.475 1.00 0.00 C ATOM 559 CD GLU A 38 0.717 -5.086 -13.248 1.00 0.00 C ATOM 560 OE1 GLU A 38 0.599 -4.990 -14.486 1.00 0.00 O ATOM 561 OE2 GLU A 38 0.438 -6.125 -12.611 1.00 0.00 O ATOM 0 H GLU A 38 2.189 -1.725 -11.353 1.00 0.00 H new ATOM 0 HA GLU A 38 1.120 -1.482 -13.956 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.168 -2.625 -11.450 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.613 -2.988 -13.105 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.160 -3.543 -12.916 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.445 -4.184 -11.450 1.00 0.00 H new ATOM 568 N PHE A 39 -0.189 0.421 -11.671 1.00 0.00 N ATOM 569 CA PHE A 39 -1.135 1.504 -11.429 1.00 0.00 C ATOM 570 C PHE A 39 -0.616 2.818 -12.004 1.00 0.00 C ATOM 571 O PHE A 39 -1.318 3.507 -12.742 1.00 0.00 O ATOM 572 CB PHE A 39 -1.395 1.656 -9.929 1.00 0.00 C ATOM 573 CG PHE A 39 -2.283 0.586 -9.363 1.00 0.00 C ATOM 574 CD1 PHE A 39 -3.659 0.749 -9.340 1.00 0.00 C ATOM 575 CD2 PHE A 39 -1.743 -0.584 -8.852 1.00 0.00 C ATOM 576 CE1 PHE A 39 -4.479 -0.234 -8.820 1.00 0.00 C ATOM 577 CE2 PHE A 39 -2.558 -1.571 -8.332 1.00 0.00 C ATOM 578 CZ PHE A 39 -3.927 -1.395 -8.314 1.00 0.00 C ATOM 0 H PHE A 39 0.485 0.274 -10.920 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.071 1.255 -11.929 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.442 1.643 -9.400 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.849 2.629 -9.744 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.096 1.655 -9.733 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.672 -0.726 -8.860 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.550 -0.095 -8.809 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.124 -2.479 -7.940 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.566 -2.164 -7.905 1.00 0.00 H new ATOM 588 N GLY A 40 0.622 3.160 -11.658 1.00 0.00 N ATOM 589 CA GLY A 40 1.216 4.391 -12.146 1.00 0.00 C ATOM 590 C GLY A 40 2.720 4.420 -11.965 1.00 0.00 C ATOM 591 O GLY A 40 3.263 3.743 -11.092 1.00 0.00 O ATOM 0 H GLY A 40 1.224 2.606 -11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.978 4.512 -13.203 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.774 5.237 -11.621 1.00 0.00 H new ATOM 595 N LYS A 41 3.398 5.206 -12.795 1.00 0.00 N ATOM 596 CA LYS A 41 4.850 5.323 -12.724 1.00 0.00 C ATOM 597 C LYS A 41 5.302 5.651 -11.304 1.00 0.00 C ATOM 598 O LYS A 41 5.027 6.736 -10.790 1.00 0.00 O ATOM 599 CB LYS A 41 5.344 6.401 -13.690 1.00 0.00 C ATOM 600 CG LYS A 41 5.315 5.973 -15.148 1.00 0.00 C ATOM 601 CD LYS A 41 6.513 5.107 -15.498 1.00 0.00 C ATOM 602 CE LYS A 41 6.093 3.850 -16.243 1.00 0.00 C ATOM 603 NZ LYS A 41 6.135 2.646 -15.366 1.00 0.00 N ATOM 0 H LYS A 41 2.965 5.772 -13.525 1.00 0.00 H new ATOM 0 HA LYS A 41 5.280 4.363 -13.010 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.730 7.293 -13.570 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.364 6.678 -13.422 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.396 5.422 -15.348 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.304 6.856 -15.787 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.210 5.679 -16.111 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.043 4.831 -14.586 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.084 3.980 -16.634 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.750 3.699 -17.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.842 1.810 -15.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.103 2.507 -15.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.489 2.779 -14.562 1.00 0.00 H new ATOM 617 N LEU A 42 5.997 4.710 -10.677 1.00 0.00 N ATOM 618 CA LEU A 42 6.488 4.900 -9.316 1.00 0.00 C ATOM 619 C LEU A 42 7.626 5.915 -9.286 1.00 0.00 C ATOM 620 O LEU A 42 8.197 6.252 -10.321 1.00 0.00 O ATOM 621 CB LEU A 42 6.963 3.567 -8.734 1.00 0.00 C ATOM 622 CG LEU A 42 5.891 2.489 -8.567 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.505 1.205 -8.031 1.00 0.00 C ATOM 624 CD2 LEU A 42 4.782 2.976 -7.647 1.00 0.00 C ATOM 0 H LEU A 42 6.234 3.807 -11.088 1.00 0.00 H new ATOM 0 HA LEU A 42 5.667 5.283 -8.709 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.750 3.172 -9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.413 3.758 -7.760 1.00 0.00 H new ATOM 0 HG LEU A 42 5.458 2.281 -9.545 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.728 0.449 -7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.262 0.846 -8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.966 1.399 -7.062 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.029 2.195 -7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.199 3.214 -6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.322 3.868 -8.072 1.00 0.00 H new ATOM 636 N GLU A 43 7.951 6.396 -8.090 1.00 0.00 N ATOM 637 CA GLU A 43 9.022 7.371 -7.924 1.00 0.00 C ATOM 638 C GLU A 43 10.282 6.708 -7.376 1.00 0.00 C ATOM 639 O GLU A 43 11.375 6.883 -7.917 1.00 0.00 O ATOM 640 CB GLU A 43 8.576 8.498 -6.989 1.00 0.00 C ATOM 641 CG GLU A 43 8.743 9.885 -7.585 1.00 0.00 C ATOM 642 CD GLU A 43 10.160 10.409 -7.456 1.00 0.00 C ATOM 643 OE1 GLU A 43 10.600 10.655 -6.313 1.00 0.00 O ATOM 644 OE2 GLU A 43 10.830 10.573 -8.497 1.00 0.00 O ATOM 0 H GLU A 43 7.488 6.126 -7.222 1.00 0.00 H new ATOM 0 HA GLU A 43 9.251 7.791 -8.903 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.529 8.348 -6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.148 8.438 -6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.464 9.860 -8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.058 10.574 -7.090 1.00 0.00 H new ATOM 651 N ARG A 44 10.122 5.947 -6.298 1.00 0.00 N ATOM 652 CA ARG A 44 11.246 5.259 -5.675 1.00 0.00 C ATOM 653 C ARG A 44 10.768 4.350 -4.547 1.00 0.00 C ATOM 654 O ARG A 44 9.941 4.745 -3.724 1.00 0.00 O ATOM 655 CB ARG A 44 12.256 6.273 -5.135 1.00 0.00 C ATOM 656 CG ARG A 44 13.514 5.636 -4.568 1.00 0.00 C ATOM 657 CD ARG A 44 14.756 6.436 -4.931 1.00 0.00 C ATOM 658 NE ARG A 44 14.930 7.600 -4.066 1.00 0.00 N ATOM 659 CZ ARG A 44 15.916 8.479 -4.207 1.00 0.00 C ATOM 660 NH1 ARG A 44 16.810 8.327 -5.173 1.00 0.00 N ATOM 661 NH2 ARG A 44 16.007 9.512 -3.380 1.00 0.00 N ATOM 0 H ARG A 44 9.225 5.792 -5.838 1.00 0.00 H new ATOM 0 HA ARG A 44 11.730 4.644 -6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.535 6.957 -5.936 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.779 6.870 -4.358 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.430 5.565 -3.484 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.611 4.619 -4.948 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.634 5.795 -4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.686 6.763 -5.969 1.00 0.00 H new ATOM 0 HE ARG A 44 14.258 7.746 -3.313 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.742 7.534 -5.811 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.566 9.003 -5.279 1.00 0.00 H new ATOM 0 HH21 ARG A 44 15.320 9.631 -2.636 1.00 0.00 H new ATOM 0 HH22 ARG A 44 16.764 10.187 -3.488 1.00 0.00 H new ATOM 675 N VAL A 45 11.295 3.130 -4.512 1.00 0.00 N ATOM 676 CA VAL A 45 10.924 2.164 -3.485 1.00 0.00 C ATOM 677 C VAL A 45 12.129 1.772 -2.639 1.00 0.00 C ATOM 678 O VAL A 45 13.259 1.740 -3.126 1.00 0.00 O ATOM 679 CB VAL A 45 10.308 0.895 -4.103 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.801 -0.038 -3.014 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.188 1.262 -5.066 1.00 0.00 C ATOM 0 H VAL A 45 11.981 2.787 -5.184 1.00 0.00 H new ATOM 0 HA VAL A 45 10.180 2.646 -2.851 1.00 0.00 H new ATOM 0 HB VAL A 45 11.083 0.372 -4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.369 -0.929 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.630 -0.327 -2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.040 0.472 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.764 0.354 -5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.411 1.808 -4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.586 1.888 -5.865 1.00 0.00 H new ATOM 691 N LYS A 46 11.881 1.471 -1.368 1.00 0.00 N ATOM 692 CA LYS A 46 12.945 1.077 -0.453 1.00 0.00 C ATOM 693 C LYS A 46 12.447 0.039 0.547 1.00 0.00 C ATOM 694 O LYS A 46 11.353 0.168 1.099 1.00 0.00 O ATOM 695 CB LYS A 46 13.484 2.301 0.292 1.00 0.00 C ATOM 696 CG LYS A 46 14.963 2.210 0.622 1.00 0.00 C ATOM 697 CD LYS A 46 15.817 2.225 -0.635 1.00 0.00 C ATOM 698 CE LYS A 46 17.063 3.077 -0.453 1.00 0.00 C ATOM 699 NZ LYS A 46 16.745 4.532 -0.448 1.00 0.00 N ATOM 0 H LYS A 46 10.951 1.493 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 46 13.749 0.633 -1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.310 3.190 -0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.921 2.430 1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.245 3.044 1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.156 1.296 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.106 1.206 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.231 2.610 -1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.552 2.809 0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.770 2.863 -1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.627 5.080 -0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.139 4.758 -1.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.247 4.775 0.432 1.00 0.00 H new ATOM 713 N LYS A 47 13.255 -0.990 0.776 1.00 0.00 N ATOM 714 CA LYS A 47 12.899 -2.050 1.712 1.00 0.00 C ATOM 715 C LYS A 47 13.366 -1.710 3.123 1.00 0.00 C ATOM 716 O LYS A 47 14.543 -1.863 3.451 1.00 0.00 O ATOM 717 CB LYS A 47 13.512 -3.379 1.266 1.00 0.00 C ATOM 718 CG LYS A 47 12.631 -4.583 1.556 1.00 0.00 C ATOM 719 CD LYS A 47 12.549 -5.514 0.358 1.00 0.00 C ATOM 720 CE LYS A 47 11.608 -6.680 0.622 1.00 0.00 C ATOM 721 NZ LYS A 47 12.349 -7.919 0.993 1.00 0.00 N ATOM 0 H LYS A 47 14.162 -1.113 0.326 1.00 0.00 H new ATOM 0 HA LYS A 47 11.813 -2.143 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.713 -3.336 0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.472 -3.513 1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.027 -5.126 2.414 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.630 -4.246 1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.205 -4.958 -0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.543 -5.894 0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.918 -6.416 1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.006 -6.869 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.867 -8.387 1.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.379 -8.563 0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.319 -7.672 1.274 1.00 0.00 H new ATOM 735 N LEU A 48 12.438 -1.251 3.955 1.00 0.00 N ATOM 736 CA LEU A 48 12.755 -0.892 5.333 1.00 0.00 C ATOM 737 C LEU A 48 11.855 -1.638 6.312 1.00 0.00 C ATOM 738 O LEU A 48 10.655 -1.371 6.395 1.00 0.00 O ATOM 739 CB LEU A 48 12.607 0.617 5.534 1.00 0.00 C ATOM 740 CG LEU A 48 13.770 1.478 5.041 1.00 0.00 C ATOM 741 CD1 LEU A 48 15.061 1.083 5.742 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.923 1.355 3.532 1.00 0.00 C ATOM 0 H LEU A 48 11.459 -1.119 3.700 1.00 0.00 H new ATOM 0 HA LEU A 48 13.788 -1.179 5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.699 0.943 5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.464 0.809 6.597 1.00 0.00 H new ATOM 0 HG LEU A 48 13.553 2.519 5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.878 1.706 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.949 1.223 6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.283 0.036 5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.756 1.975 3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.117 0.315 3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.006 1.687 3.045 1.00 0.00 H new ATOM 754 N LYS A 49 12.440 -2.571 7.053 1.00 0.00 N ATOM 755 CA LYS A 49 11.693 -3.355 8.030 1.00 0.00 C ATOM 756 C LYS A 49 10.623 -4.200 7.345 1.00 0.00 C ATOM 757 O LYS A 49 10.665 -4.409 6.133 1.00 0.00 O ATOM 758 CB LYS A 49 11.044 -2.433 9.065 1.00 0.00 C ATOM 759 CG LYS A 49 11.978 -1.355 9.588 1.00 0.00 C ATOM 760 CD LYS A 49 11.840 -1.179 11.091 1.00 0.00 C ATOM 761 CE LYS A 49 13.182 -0.885 11.743 1.00 0.00 C ATOM 762 NZ LYS A 49 13.203 -1.287 13.176 1.00 0.00 N ATOM 0 H LYS A 49 13.431 -2.804 6.996 1.00 0.00 H new ATOM 0 HA LYS A 49 12.392 -4.023 8.534 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.169 -1.959 8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.690 -3.033 9.903 1.00 0.00 H new ATOM 0 HG2 LYS A 49 13.008 -1.615 9.344 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.761 -0.411 9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.146 -0.365 11.301 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.413 -2.082 11.527 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.970 -1.413 11.206 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.400 0.180 11.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.135 -1.070 13.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.468 -0.764 13.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.021 -2.308 13.253 1.00 0.00 H new ATOM 776 N ASP A 50 9.664 -4.681 8.129 1.00 0.00 N ATOM 777 CA ASP A 50 8.582 -5.501 7.599 1.00 0.00 C ATOM 778 C ASP A 50 7.765 -4.723 6.571 1.00 0.00 C ATOM 779 O ASP A 50 7.008 -5.307 5.793 1.00 0.00 O ATOM 780 CB ASP A 50 7.674 -5.982 8.731 1.00 0.00 C ATOM 781 CG ASP A 50 7.336 -4.875 9.711 1.00 0.00 C ATOM 782 OD1 ASP A 50 6.495 -4.018 9.370 1.00 0.00 O ATOM 783 OD2 ASP A 50 7.912 -4.866 10.819 1.00 0.00 O ATOM 0 H ASP A 50 9.615 -4.517 9.134 1.00 0.00 H new ATOM 0 HA ASP A 50 9.024 -6.367 7.107 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.753 -6.383 8.309 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.163 -6.798 9.263 1.00 0.00 H new ATOM 788 N TYR A 51 7.922 -3.405 6.573 1.00 0.00 N ATOM 789 CA TYR A 51 7.197 -2.546 5.644 1.00 0.00 C ATOM 790 C TYR A 51 8.123 -2.020 4.552 1.00 0.00 C ATOM 791 O TYR A 51 9.290 -2.403 4.474 1.00 0.00 O ATOM 792 CB TYR A 51 6.556 -1.377 6.392 1.00 0.00 C ATOM 793 CG TYR A 51 7.518 -0.631 7.289 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.368 0.340 6.774 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.578 -0.899 8.651 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.250 1.023 7.590 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.455 -0.219 9.475 1.00 0.00 C ATOM 798 CZ TYR A 51 9.289 0.740 8.939 1.00 0.00 C ATOM 799 OH TYR A 51 10.165 1.418 9.756 1.00 0.00 O ATOM 0 H TYR A 51 8.546 -2.907 7.208 1.00 0.00 H new ATOM 0 HA TYR A 51 6.414 -3.141 5.175 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.134 -0.681 5.667 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.728 -1.752 6.994 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.339 0.565 5.718 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.928 -1.651 9.073 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.905 1.774 7.173 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.487 -0.437 10.532 1.00 0.00 H new ATOM 0 HH TYR A 51 9.785 1.487 10.657 1.00 0.00 H new ATOM 809 N ALA A 52 7.593 -1.139 3.710 1.00 0.00 N ATOM 810 CA ALA A 52 8.372 -0.557 2.624 1.00 0.00 C ATOM 811 C ALA A 52 7.967 0.891 2.373 1.00 0.00 C ATOM 812 O ALA A 52 6.877 1.317 2.754 1.00 0.00 O ATOM 813 CB ALA A 52 8.206 -1.381 1.355 1.00 0.00 C ATOM 0 H ALA A 52 6.628 -0.813 3.759 1.00 0.00 H new ATOM 0 HA ALA A 52 9.422 -0.568 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.793 -0.935 0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.551 -2.399 1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.155 -1.400 1.068 1.00 0.00 H new ATOM 819 N PHE A 53 8.852 1.646 1.730 1.00 0.00 N ATOM 820 CA PHE A 53 8.588 3.048 1.429 1.00 0.00 C ATOM 821 C PHE A 53 8.606 3.294 -0.076 1.00 0.00 C ATOM 822 O PHE A 53 9.663 3.290 -0.705 1.00 0.00 O ATOM 823 CB PHE A 53 9.622 3.942 2.116 1.00 0.00 C ATOM 824 CG PHE A 53 9.373 4.128 3.586 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.145 4.579 4.043 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.366 3.853 4.511 1.00 0.00 C ATOM 827 CE1 PHE A 53 7.911 4.750 5.394 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.139 4.021 5.864 1.00 0.00 C ATOM 829 CZ PHE A 53 8.911 4.473 6.306 1.00 0.00 C ATOM 0 H PHE A 53 9.759 1.310 1.407 1.00 0.00 H new ATOM 0 HA PHE A 53 7.596 3.295 1.807 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.613 3.511 1.975 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.627 4.918 1.630 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.361 4.800 3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.330 3.503 4.171 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.948 5.100 5.736 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.921 3.799 6.575 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.733 4.610 7.362 1.00 0.00 H new ATOM 839 N VAL A 54 7.425 3.509 -0.648 1.00 0.00 N ATOM 840 CA VAL A 54 7.303 3.758 -2.080 1.00 0.00 C ATOM 841 C VAL A 54 6.728 5.144 -2.349 1.00 0.00 C ATOM 842 O VAL A 54 5.773 5.569 -1.698 1.00 0.00 O ATOM 843 CB VAL A 54 6.410 2.702 -2.759 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.343 2.945 -4.258 1.00 0.00 C ATOM 845 CG2 VAL A 54 6.921 1.301 -2.460 1.00 0.00 C ATOM 0 H VAL A 54 6.539 3.516 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 54 8.307 3.697 -2.499 1.00 0.00 H new ATOM 0 HB VAL A 54 5.401 2.790 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.708 2.190 -4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.927 3.935 -4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.346 2.885 -4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.278 0.568 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.939 1.197 -2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.912 1.133 -1.383 1.00 0.00 H new ATOM 855 N HIS A 55 7.315 5.845 -3.314 1.00 0.00 N ATOM 856 CA HIS A 55 6.860 7.184 -3.671 1.00 0.00 C ATOM 857 C HIS A 55 6.150 7.174 -5.020 1.00 0.00 C ATOM 858 O HIS A 55 6.366 6.282 -5.842 1.00 0.00 O ATOM 859 CB HIS A 55 8.042 8.154 -3.710 1.00 0.00 C ATOM 860 CG HIS A 55 8.474 8.626 -2.356 1.00 0.00 C ATOM 861 ND1 HIS A 55 8.517 9.958 -2.001 1.00 0.00 N ATOM 862 CD2 HIS A 55 8.883 7.934 -1.266 1.00 0.00 C ATOM 863 CE1 HIS A 55 8.935 10.066 -0.753 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.163 8.852 -0.283 1.00 0.00 N ATOM 0 H HIS A 55 8.106 5.508 -3.862 1.00 0.00 H new ATOM 0 HA HIS A 55 6.153 7.516 -2.911 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.884 7.668 -4.202 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.773 9.018 -4.318 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.972 6.861 -1.185 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.068 10.989 -0.209 1.00 0.00 H new ATOM 0 HE2 HIS A 55 9.493 8.632 0.657 1.00 0.00 H new ATOM 872 N PHE A 56 5.300 8.172 -5.245 1.00 0.00 N ATOM 873 CA PHE A 56 4.557 8.277 -6.494 1.00 0.00 C ATOM 874 C PHE A 56 4.719 9.664 -7.109 1.00 0.00 C ATOM 875 O PHE A 56 5.002 10.635 -6.407 1.00 0.00 O ATOM 876 CB PHE A 56 3.075 7.982 -6.258 1.00 0.00 C ATOM 877 CG PHE A 56 2.766 6.516 -6.141 1.00 0.00 C ATOM 878 CD1 PHE A 56 2.989 5.841 -4.952 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.253 5.814 -7.220 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.707 4.492 -4.842 1.00 0.00 C ATOM 881 CE2 PHE A 56 1.969 4.466 -7.116 1.00 0.00 C ATOM 882 CZ PHE A 56 2.195 3.804 -5.925 1.00 0.00 C ATOM 0 H PHE A 56 5.110 8.919 -4.577 1.00 0.00 H new ATOM 0 HA PHE A 56 4.960 7.541 -7.189 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.753 8.487 -5.347 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.494 8.403 -7.078 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.388 6.374 -4.102 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.073 6.327 -8.153 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.887 3.977 -3.910 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.571 3.930 -7.965 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.972 2.751 -5.841 1.00 0.00 H new ATOM 892 N GLU A 57 4.538 9.748 -8.423 1.00 0.00 N ATOM 893 CA GLU A 57 4.666 11.016 -9.133 1.00 0.00 C ATOM 894 C GLU A 57 3.773 12.083 -8.505 1.00 0.00 C ATOM 895 O GLU A 57 4.073 13.275 -8.567 1.00 0.00 O ATOM 896 CB GLU A 57 4.305 10.839 -10.609 1.00 0.00 C ATOM 897 CG GLU A 57 5.493 10.979 -11.546 1.00 0.00 C ATOM 898 CD GLU A 57 5.190 11.854 -12.746 1.00 0.00 C ATOM 899 OE1 GLU A 57 4.703 11.319 -13.763 1.00 0.00 O ATOM 900 OE2 GLU A 57 5.439 13.076 -12.667 1.00 0.00 O ATOM 0 H GLU A 57 4.302 8.954 -9.018 1.00 0.00 H new ATOM 0 HA GLU A 57 5.703 11.342 -9.057 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.856 9.856 -10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.550 11.576 -10.881 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.336 11.400 -10.998 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.798 9.991 -11.890 1.00 0.00 H new ATOM 907 N ASP A 58 2.673 11.644 -7.900 1.00 0.00 N ATOM 908 CA ASP A 58 1.736 12.560 -7.260 1.00 0.00 C ATOM 909 C ASP A 58 0.856 11.822 -6.255 1.00 0.00 C ATOM 910 O ASP A 58 1.088 10.651 -5.955 1.00 0.00 O ATOM 911 CB ASP A 58 0.865 13.249 -8.310 1.00 0.00 C ATOM 912 CG ASP A 58 0.972 14.760 -8.251 1.00 0.00 C ATOM 913 OD1 ASP A 58 1.899 15.314 -8.877 1.00 0.00 O ATOM 914 OD2 ASP A 58 0.128 15.389 -7.577 1.00 0.00 O ATOM 0 H ASP A 58 2.409 10.660 -7.840 1.00 0.00 H new ATOM 0 HA ASP A 58 2.312 13.315 -6.726 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.157 12.906 -9.302 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.175 12.955 -8.165 1.00 0.00 H new ATOM 919 N ARG A 59 -0.153 12.516 -5.739 1.00 0.00 N ATOM 920 CA ARG A 59 -1.067 11.928 -4.768 1.00 0.00 C ATOM 921 C ARG A 59 -2.095 11.036 -5.458 1.00 0.00 C ATOM 922 O ARG A 59 -2.453 9.975 -4.948 1.00 0.00 O ATOM 923 CB ARG A 59 -1.778 13.026 -3.974 1.00 0.00 C ATOM 924 CG ARG A 59 -2.901 12.508 -3.090 1.00 0.00 C ATOM 925 CD ARG A 59 -4.266 12.855 -3.663 1.00 0.00 C ATOM 926 NE ARG A 59 -5.304 12.866 -2.636 1.00 0.00 N ATOM 927 CZ ARG A 59 -6.595 13.039 -2.898 1.00 0.00 C ATOM 928 NH1 ARG A 59 -7.004 13.213 -4.146 1.00 0.00 N ATOM 929 NH2 ARG A 59 -7.479 13.036 -1.908 1.00 0.00 N ATOM 0 H ARG A 59 -0.358 13.486 -5.977 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.482 11.315 -4.082 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.048 13.544 -3.353 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.184 13.761 -4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.813 11.427 -2.985 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.805 12.934 -2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.220 13.833 -4.142 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.529 12.133 -4.436 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.023 12.734 -1.665 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.327 13.214 -4.909 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.996 13.346 -4.344 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.167 12.901 -0.946 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.470 13.169 -2.109 1.00 0.00 H new ATOM 943 N GLY A 60 -2.567 11.477 -6.620 1.00 0.00 N ATOM 944 CA GLY A 60 -3.550 10.708 -7.361 1.00 0.00 C ATOM 945 C GLY A 60 -3.080 9.297 -7.655 1.00 0.00 C ATOM 946 O GLY A 60 -3.834 8.338 -7.491 1.00 0.00 O ATOM 0 H GLY A 60 -2.286 12.353 -7.061 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.479 10.667 -6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.773 11.216 -8.299 1.00 0.00 H new ATOM 950 N ALA A 61 -1.831 9.170 -8.094 1.00 0.00 N ATOM 951 CA ALA A 61 -1.263 7.867 -8.411 1.00 0.00 C ATOM 952 C ALA A 61 -1.161 6.992 -7.166 1.00 0.00 C ATOM 953 O ALA A 61 -1.362 5.780 -7.228 1.00 0.00 O ATOM 954 CB ALA A 61 0.106 8.031 -9.055 1.00 0.00 C ATOM 0 H ALA A 61 -1.195 9.954 -8.238 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.929 7.371 -9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.519 7.049 -9.287 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.009 8.610 -9.973 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.772 8.551 -8.367 1.00 0.00 H new ATOM 960 N ALA A 62 -0.849 7.617 -6.034 1.00 0.00 N ATOM 961 CA ALA A 62 -0.723 6.896 -4.774 1.00 0.00 C ATOM 962 C ALA A 62 -2.085 6.435 -4.266 1.00 0.00 C ATOM 963 O ALA A 62 -2.262 5.274 -3.898 1.00 0.00 O ATOM 964 CB ALA A 62 -0.037 7.768 -3.733 1.00 0.00 C ATOM 0 H ALA A 62 -0.679 8.620 -5.965 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.112 6.011 -4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.050 7.217 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.957 8.043 -4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.626 8.670 -3.569 1.00 0.00 H new ATOM 970 N VAL A 63 -3.046 7.353 -4.249 1.00 0.00 N ATOM 971 CA VAL A 63 -4.394 7.040 -3.787 1.00 0.00 C ATOM 972 C VAL A 63 -5.046 5.982 -4.669 1.00 0.00 C ATOM 973 O VAL A 63 -5.497 4.944 -4.183 1.00 0.00 O ATOM 974 CB VAL A 63 -5.286 8.296 -3.767 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.672 7.958 -3.241 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.643 9.393 -2.931 1.00 0.00 C ATOM 0 H VAL A 63 -2.917 8.319 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.299 6.654 -2.772 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.390 8.663 -4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.288 8.857 -3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.132 7.208 -3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.591 7.566 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.287 10.273 -2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.507 9.039 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.674 9.654 -3.356 1.00 0.00 H new ATOM 986 N LYS A 64 -5.091 6.249 -5.969 1.00 0.00 N ATOM 987 CA LYS A 64 -5.686 5.319 -6.921 1.00 0.00 C ATOM 988 C LYS A 64 -5.061 3.934 -6.792 1.00 0.00 C ATOM 989 O LYS A 64 -5.715 2.921 -7.038 1.00 0.00 O ATOM 990 CB LYS A 64 -5.511 5.838 -8.350 1.00 0.00 C ATOM 991 CG LYS A 64 -6.406 5.145 -9.363 1.00 0.00 C ATOM 992 CD LYS A 64 -5.596 4.495 -10.471 1.00 0.00 C ATOM 993 CE LYS A 64 -6.466 3.617 -11.356 1.00 0.00 C ATOM 994 NZ LYS A 64 -7.119 4.398 -12.443 1.00 0.00 N ATOM 0 H LYS A 64 -4.722 7.103 -6.388 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.750 5.240 -6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.718 6.908 -8.367 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.471 5.710 -8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.008 4.389 -8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.098 5.869 -9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.121 5.267 -11.077 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.797 3.895 -10.035 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.857 2.826 -11.793 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.230 3.132 -10.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.703 3.763 -13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.720 5.137 -12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.390 4.840 -13.039 1.00 0.00 H new ATOM 1008 N ALA A 65 -3.790 3.897 -6.405 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.078 2.636 -6.240 1.00 0.00 C ATOM 1010 C ALA A 65 -3.476 1.946 -4.940 1.00 0.00 C ATOM 1011 O ALA A 65 -4.021 0.843 -4.954 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.574 2.871 -6.276 1.00 0.00 C ATOM 0 H ALA A 65 -3.232 4.726 -6.200 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.353 1.981 -7.067 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.054 1.921 -6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.298 3.313 -7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.292 3.547 -5.469 1.00 0.00 H new ATOM 1018 N MET A 66 -3.201 2.604 -3.818 1.00 0.00 N ATOM 1019 CA MET A 66 -3.531 2.053 -2.509 1.00 0.00 C ATOM 1020 C MET A 66 -5.012 1.695 -2.429 1.00 0.00 C ATOM 1021 O MET A 66 -5.406 0.808 -1.671 1.00 0.00 O ATOM 1022 CB MET A 66 -3.176 3.051 -1.407 1.00 0.00 C ATOM 1023 CG MET A 66 -3.679 2.644 -0.031 1.00 0.00 C ATOM 1024 SD MET A 66 -5.254 3.416 0.389 1.00 0.00 S ATOM 1025 CE MET A 66 -4.769 5.137 0.488 1.00 0.00 C ATOM 0 H MET A 66 -2.751 3.519 -3.789 1.00 0.00 H new ATOM 0 HA MET A 66 -2.946 1.144 -2.367 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.093 3.167 -1.369 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.592 4.025 -1.663 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.789 1.560 0.006 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.935 2.914 0.718 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.437 5.665 1.169 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.746 5.206 0.857 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.829 5.589 -0.502 1.00 0.00 H new ATOM 1035 N ASP A 67 -5.827 2.389 -3.214 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.265 2.144 -3.232 1.00 0.00 C ATOM 1037 C ASP A 67 -7.562 0.674 -3.515 1.00 0.00 C ATOM 1038 O ASP A 67 -8.347 0.044 -2.807 1.00 0.00 O ATOM 1039 CB ASP A 67 -7.941 3.025 -4.284 1.00 0.00 C ATOM 1040 CG ASP A 67 -8.584 4.259 -3.679 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -7.883 5.000 -2.958 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -9.787 4.482 -3.926 1.00 0.00 O ATOM 0 H ASP A 67 -5.517 3.126 -3.847 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.664 2.394 -2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.204 3.330 -5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.699 2.443 -4.808 1.00 0.00 H new ATOM 1047 N GLU A 68 -6.931 0.138 -4.554 1.00 0.00 N ATOM 1048 CA GLU A 68 -7.129 -1.256 -4.931 1.00 0.00 C ATOM 1049 C GLU A 68 -6.091 -2.154 -4.263 1.00 0.00 C ATOM 1050 O GLU A 68 -6.414 -3.236 -3.773 1.00 0.00 O ATOM 1051 CB GLU A 68 -7.054 -1.413 -6.450 1.00 0.00 C ATOM 1052 CG GLU A 68 -7.956 -0.454 -7.207 1.00 0.00 C ATOM 1053 CD GLU A 68 -9.421 -0.634 -6.859 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -9.761 -1.664 -6.240 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -10.227 0.255 -7.205 1.00 0.00 O ATOM 0 H GLU A 68 -6.278 0.648 -5.150 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.119 -1.560 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.024 -1.260 -6.772 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.322 -2.436 -6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.657 0.571 -6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.820 -0.602 -8.278 1.00 0.00 H new ATOM 1062 N MET A 69 -4.844 -1.696 -4.249 1.00 0.00 N ATOM 1063 CA MET A 69 -3.757 -2.457 -3.642 1.00 0.00 C ATOM 1064 C MET A 69 -4.113 -2.867 -2.216 1.00 0.00 C ATOM 1065 O MET A 69 -3.777 -3.965 -1.775 1.00 0.00 O ATOM 1066 CB MET A 69 -2.468 -1.634 -3.641 1.00 0.00 C ATOM 1067 CG MET A 69 -1.980 -1.269 -5.034 1.00 0.00 C ATOM 1068 SD MET A 69 -0.593 -2.288 -5.573 1.00 0.00 S ATOM 1069 CE MET A 69 -1.160 -3.916 -5.085 1.00 0.00 C ATOM 0 H MET A 69 -4.560 -0.802 -4.651 1.00 0.00 H new ATOM 0 HA MET A 69 -3.603 -3.359 -4.234 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.631 -0.720 -3.071 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.688 -2.196 -3.127 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.802 -1.376 -5.742 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.682 -0.220 -5.047 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.424 -4.662 -5.384 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.289 -3.947 -4.003 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.112 -4.130 -5.570 1.00 0.00 H new ATOM 1079 N ASN A 70 -4.794 -1.978 -1.501 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.193 -2.249 -0.124 1.00 0.00 C ATOM 1081 C ASN A 70 -5.957 -3.565 -0.028 1.00 0.00 C ATOM 1082 O ASN A 70 -7.079 -3.682 -0.518 1.00 0.00 O ATOM 1083 CB ASN A 70 -6.058 -1.105 0.412 1.00 0.00 C ATOM 1084 CG ASN A 70 -6.837 -1.502 1.651 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -6.382 -2.322 2.448 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -8.019 -0.919 1.817 1.00 0.00 N ATOM 0 H ASN A 70 -5.081 -1.064 -1.851 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.290 -2.329 0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.423 -0.250 0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.753 -0.784 -0.364 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.590 -1.146 2.632 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.356 -0.245 1.130 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.338 -4.557 0.606 1.00 0.00 N ATOM 1094 CA GLY A 71 -5.975 -5.853 0.755 1.00 0.00 C ATOM 1095 C GLY A 71 -5.692 -6.775 -0.414 1.00 0.00 C ATOM 1096 O GLY A 71 -6.573 -7.509 -0.863 1.00 0.00 O ATOM 0 H GLY A 71 -4.408 -4.486 1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.628 -6.322 1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.052 -5.716 0.854 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.460 -6.738 -0.910 1.00 0.00 N ATOM 1101 CA LYS A 72 -4.063 -7.576 -2.036 1.00 0.00 C ATOM 1102 C LYS A 72 -3.161 -8.716 -1.574 1.00 0.00 C ATOM 1103 O LYS A 72 -2.701 -8.731 -0.432 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.341 -6.738 -3.093 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.276 -6.092 -4.100 1.00 0.00 C ATOM 1106 CD LYS A 72 -5.012 -7.135 -4.926 1.00 0.00 C ATOM 1107 CE LYS A 72 -4.491 -7.184 -6.354 1.00 0.00 C ATOM 1108 NZ LYS A 72 -4.890 -8.440 -7.047 1.00 0.00 N ATOM 0 H LYS A 72 -3.719 -6.137 -0.550 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.965 -8.003 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.763 -5.959 -2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.631 -7.372 -3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.998 -5.465 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.706 -5.439 -4.761 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.898 -8.115 -4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.078 -6.908 -4.934 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.871 -6.326 -6.909 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.404 -7.103 -6.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.516 -8.435 -8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.506 -9.258 -6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.928 -8.506 -7.076 1.00 0.00 H new ATOM 1122 N GLU A 73 -2.913 -9.669 -2.467 1.00 0.00 N ATOM 1123 CA GLU A 73 -2.065 -10.811 -2.149 1.00 0.00 C ATOM 1124 C GLU A 73 -0.787 -10.790 -2.983 1.00 0.00 C ATOM 1125 O GLU A 73 -0.833 -10.870 -4.210 1.00 0.00 O ATOM 1126 CB GLU A 73 -2.822 -12.119 -2.392 1.00 0.00 C ATOM 1127 CG GLU A 73 -1.949 -13.357 -2.289 1.00 0.00 C ATOM 1128 CD GLU A 73 -2.741 -14.644 -2.410 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -3.628 -14.876 -1.562 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -2.475 -15.418 -3.353 1.00 0.00 O ATOM 0 H GLU A 73 -3.287 -9.673 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.792 -10.746 -1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.635 -12.197 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.277 -12.087 -3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.190 -13.327 -3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.423 -13.347 -1.334 1.00 0.00 H new ATOM 1137 N ILE A 74 0.351 -10.679 -2.306 1.00 0.00 N ATOM 1138 CA ILE A 74 1.641 -10.648 -2.983 1.00 0.00 C ATOM 1139 C ILE A 74 2.534 -11.794 -2.520 1.00 0.00 C ATOM 1140 O ILE A 74 2.862 -11.900 -1.339 1.00 0.00 O ATOM 1141 CB ILE A 74 2.372 -9.313 -2.739 1.00 0.00 C ATOM 1142 CG1 ILE A 74 1.471 -8.137 -3.120 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.672 -9.270 -3.529 1.00 0.00 C ATOM 1144 CD1 ILE A 74 2.083 -6.786 -2.823 1.00 0.00 C ATOM 0 H ILE A 74 0.406 -10.609 -1.290 1.00 0.00 H new ATOM 0 HA ILE A 74 1.440 -10.755 -4.049 1.00 0.00 H new ATOM 0 HB ILE A 74 2.611 -9.234 -1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.240 -8.196 -4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.526 -8.225 -2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.177 -8.322 -3.347 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.316 -10.091 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.455 -9.367 -4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.389 -5.999 -3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.288 -6.706 -1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.013 -6.677 -3.381 1.00 0.00 H new ATOM 1156 N GLU A 75 2.924 -12.649 -3.460 1.00 0.00 N ATOM 1157 CA GLU A 75 3.780 -13.788 -3.148 1.00 0.00 C ATOM 1158 C GLU A 75 3.133 -14.682 -2.094 1.00 0.00 C ATOM 1159 O GLU A 75 3.821 -15.335 -1.311 1.00 0.00 O ATOM 1160 CB GLU A 75 5.147 -13.307 -2.655 1.00 0.00 C ATOM 1161 CG GLU A 75 6.314 -14.073 -3.256 1.00 0.00 C ATOM 1162 CD GLU A 75 6.567 -13.707 -4.706 1.00 0.00 C ATOM 1163 OE1 GLU A 75 6.142 -12.610 -5.123 1.00 0.00 O ATOM 1164 OE2 GLU A 75 7.191 -14.517 -5.422 1.00 0.00 O ATOM 0 H GLU A 75 2.661 -12.575 -4.443 1.00 0.00 H new ATOM 0 HA GLU A 75 3.915 -14.369 -4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.257 -12.249 -2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.185 -13.397 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.213 -13.874 -2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.117 -15.143 -3.184 1.00 0.00 H new ATOM 1171 N GLY A 76 1.804 -14.707 -2.081 1.00 0.00 N ATOM 1172 CA GLY A 76 1.085 -15.523 -1.120 1.00 0.00 C ATOM 1173 C GLY A 76 1.195 -14.985 0.292 1.00 0.00 C ATOM 1174 O GLY A 76 1.044 -15.731 1.260 1.00 0.00 O ATOM 0 H GLY A 76 1.212 -14.176 -2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.034 -15.574 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.473 -16.541 -1.149 1.00 0.00 H new ATOM 1178 N GLU A 77 1.461 -13.688 0.412 1.00 0.00 N ATOM 1179 CA GLU A 77 1.592 -13.053 1.718 1.00 0.00 C ATOM 1180 C GLU A 77 0.607 -11.897 1.864 1.00 0.00 C ATOM 1181 O GLU A 77 0.495 -11.049 0.979 1.00 0.00 O ATOM 1182 CB GLU A 77 3.022 -12.548 1.922 1.00 0.00 C ATOM 1183 CG GLU A 77 3.978 -13.614 2.430 1.00 0.00 C ATOM 1184 CD GLU A 77 4.219 -13.518 3.924 1.00 0.00 C ATOM 1185 OE1 GLU A 77 3.266 -13.760 4.695 1.00 0.00 O ATOM 1186 OE2 GLU A 77 5.358 -13.199 4.322 1.00 0.00 O ATOM 0 H GLU A 77 1.590 -13.057 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 77 1.364 -13.798 2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.398 -12.156 0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.008 -11.718 2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.576 -14.599 2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.929 -13.523 1.906 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.105 -11.871 2.986 1.00 0.00 N ATOM 1194 CA GLU A 78 -1.082 -10.821 3.247 1.00 0.00 C ATOM 1195 C GLU A 78 -0.393 -9.475 3.448 1.00 0.00 C ATOM 1196 O GLU A 78 0.202 -9.221 4.496 1.00 0.00 O ATOM 1197 CB GLU A 78 -1.920 -11.167 4.479 1.00 0.00 C ATOM 1198 CG GLU A 78 -3.137 -12.020 4.168 1.00 0.00 C ATOM 1199 CD GLU A 78 -4.415 -11.448 4.753 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -4.571 -11.493 5.991 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -5.257 -10.957 3.973 1.00 0.00 O ATOM 0 H GLU A 78 -0.023 -12.565 3.729 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.738 -10.748 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.293 -11.693 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.247 -10.243 4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.246 -12.111 3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.981 -13.025 4.559 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.476 -8.616 2.437 1.00 0.00 N ATOM 1209 CA ILE A 79 0.139 -7.297 2.503 1.00 0.00 C ATOM 1210 C ILE A 79 -0.890 -6.228 2.857 1.00 0.00 C ATOM 1211 O ILE A 79 -1.995 -6.215 2.316 1.00 0.00 O ATOM 1212 CB ILE A 79 0.813 -6.923 1.170 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.230 -6.827 0.054 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.885 -7.942 0.814 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -0.470 -5.414 -0.429 1.00 0.00 C ATOM 0 H ILE A 79 -0.964 -8.811 1.562 1.00 0.00 H new ATOM 0 HA ILE A 79 0.898 -7.341 3.284 1.00 0.00 H new ATOM 0 HB ILE A 79 1.288 -5.948 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.093 -7.440 -0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.171 -7.245 0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.352 -7.664 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.640 -7.965 1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.432 -8.929 0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.220 -5.422 -1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.823 -4.801 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.460 -4.999 -0.816 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.517 -5.333 3.766 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.408 -4.260 4.190 1.00 0.00 C ATOM 1229 C GLU A 80 -0.901 -2.907 3.700 1.00 0.00 C ATOM 1230 O GLU A 80 0.288 -2.738 3.430 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.536 -4.247 5.715 1.00 0.00 C ATOM 1232 CG GLU A 80 -2.905 -4.677 6.214 1.00 0.00 C ATOM 1233 CD GLU A 80 -2.824 -5.613 7.405 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -2.270 -6.722 7.252 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -3.314 -5.236 8.490 1.00 0.00 O ATOM 0 H GLU A 80 0.395 -5.330 4.222 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.389 -4.442 3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.780 -4.907 6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.324 -3.242 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.481 -3.794 6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.444 -5.170 5.405 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.812 -1.946 3.587 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.458 -0.608 3.130 1.00 0.00 C ATOM 1244 C ILE A 81 -2.242 0.458 3.890 1.00 0.00 C ATOM 1245 O ILE A 81 -3.433 0.297 4.153 1.00 0.00 O ATOM 1246 CB ILE A 81 -1.717 -0.441 1.621 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.021 -1.554 0.836 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.242 0.925 1.149 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -1.362 -1.560 -0.638 1.00 0.00 C ATOM 0 H ILE A 81 -2.801 -2.069 3.806 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.393 -0.480 3.324 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.790 -0.512 1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.058 -1.448 0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.294 -2.517 1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.432 1.027 0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.780 1.704 1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.173 1.024 1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.833 -2.376 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.436 -1.697 -0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.063 -0.612 -1.084 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.565 1.547 4.236 1.00 0.00 N ATOM 1262 CA VAL A 82 -2.197 2.642 4.963 1.00 0.00 C ATOM 1263 C VAL A 82 -1.591 3.984 4.571 1.00 0.00 C ATOM 1264 O VAL A 82 -0.521 4.042 3.965 1.00 0.00 O ATOM 1265 CB VAL A 82 -2.063 2.455 6.486 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.697 1.144 6.922 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.601 2.515 6.903 1.00 0.00 C ATOM 0 H VAL A 82 -0.578 1.695 4.025 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.253 2.632 4.695 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.593 3.268 6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.592 1.030 8.001 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.755 1.146 6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.199 0.314 6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.525 2.381 7.982 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.046 1.724 6.399 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.183 3.483 6.627 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.283 5.064 4.920 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.813 6.409 4.605 1.00 0.00 C ATOM 1279 C LEU A 83 -0.753 6.863 5.603 1.00 0.00 C ATOM 1280 O LEU A 83 -0.980 6.852 6.812 1.00 0.00 O ATOM 1281 CB LEU A 83 -2.984 7.392 4.605 1.00 0.00 C ATOM 1282 CG LEU A 83 -3.978 7.253 3.452 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -5.261 8.011 3.757 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -3.360 7.748 2.152 1.00 0.00 C ATOM 0 H LEU A 83 -3.171 5.034 5.421 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.365 6.387 3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.528 7.278 5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.582 8.405 4.591 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.224 6.197 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.956 7.900 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.714 7.610 4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.034 9.067 3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.082 7.641 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.084 8.797 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.471 7.160 1.925 1.00 0.00 H new ATOM 1296 N ALA A 84 0.405 7.263 5.087 1.00 0.00 N ATOM 1297 CA ALA A 84 1.499 7.725 5.933 1.00 0.00 C ATOM 1298 C ALA A 84 1.383 9.220 6.211 1.00 0.00 C ATOM 1299 O ALA A 84 0.768 9.959 5.444 1.00 0.00 O ATOM 1300 CB ALA A 84 2.838 7.409 5.283 1.00 0.00 C ATOM 0 H ALA A 84 0.610 7.276 4.088 1.00 0.00 H new ATOM 0 HA ALA A 84 1.437 7.199 6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.646 7.759 5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.928 6.332 5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.900 7.909 4.316 1.00 0.00 H new