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= -0.48 X(o=-0.48,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0876 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 70:sc= 1.27 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+ -168:sc= 0 (180deg=-0.0308) USER MOD Single : A 47 LYS NZ :NH3+ -115:sc= 0.467 (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 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -156:sc= -0.264 (180deg=-1.44) USER MOD Single : A 69 MET CE :methyl -138:sc= -0.107 (180deg=-0.916) USER MOD Single : A 70 ASN : amide:sc=-0.000287 X(o=-0.00029,f=-0.39) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 210 N VAL A 17 2.301 9.481 -0.077 1.00 0.00 N ATOM 211 CA VAL A 17 3.174 8.397 0.356 1.00 0.00 C ATOM 212 C VAL A 17 2.373 7.265 0.989 1.00 0.00 C ATOM 213 O VAL A 17 1.665 7.467 1.977 1.00 0.00 O ATOM 214 CB VAL A 17 4.227 8.892 1.365 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.242 7.798 1.658 1.00 0.00 C ATOM 216 CG2 VAL A 17 4.916 10.144 0.843 1.00 0.00 C ATOM 0 HA VAL A 17 3.681 8.026 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 17 3.722 9.144 2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.978 8.166 2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.732 6.931 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.745 7.512 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.657 10.481 1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.409 9.920 -0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.176 10.929 0.689 1.00 0.00 H new ATOM 226 N LEU A 18 2.488 6.072 0.415 1.00 0.00 N ATOM 227 CA LEU A 18 1.775 4.906 0.923 1.00 0.00 C ATOM 228 C LEU A 18 2.668 4.080 1.844 1.00 0.00 C ATOM 229 O LEU A 18 3.850 3.882 1.566 1.00 0.00 O ATOM 230 CB LEU A 18 1.280 4.040 -0.237 1.00 0.00 C ATOM 231 CG LEU A 18 0.664 4.790 -1.418 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.481 3.858 -2.605 1.00 0.00 C ATOM 233 CD2 LEU A 18 -0.666 5.413 -1.017 1.00 0.00 C ATOM 0 H LEU A 18 3.069 5.887 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 18 0.918 5.257 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.118 3.448 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.540 3.339 0.149 1.00 0.00 H new ATOM 0 HG LEU A 18 1.344 5.589 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.041 4.409 -3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.449 3.458 -2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.179 3.037 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.091 5.943 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.353 4.630 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.507 6.113 -0.197 1.00 0.00 H new ATOM 245 N PHE A 19 2.093 3.600 2.942 1.00 0.00 N ATOM 246 CA PHE A 19 2.836 2.795 3.904 1.00 0.00 C ATOM 247 C PHE A 19 2.390 1.336 3.852 1.00 0.00 C ATOM 248 O PHE A 19 1.386 0.960 4.459 1.00 0.00 O ATOM 249 CB PHE A 19 2.648 3.347 5.318 1.00 0.00 C ATOM 250 CG PHE A 19 3.622 2.788 6.315 1.00 0.00 C ATOM 251 CD1 PHE A 19 4.981 3.022 6.181 1.00 0.00 C ATOM 252 CD2 PHE A 19 3.179 2.030 7.387 1.00 0.00 C ATOM 253 CE1 PHE A 19 5.880 2.508 7.097 1.00 0.00 C ATOM 254 CE2 PHE A 19 4.073 1.514 8.306 1.00 0.00 C ATOM 255 CZ PHE A 19 5.425 1.755 8.161 1.00 0.00 C ATOM 0 H PHE A 19 1.115 3.755 3.187 1.00 0.00 H new ATOM 0 HA PHE A 19 3.893 2.844 3.641 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.750 4.432 5.292 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.634 3.130 5.652 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.342 3.612 5.352 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.122 1.840 7.506 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.937 2.695 6.980 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.715 0.923 9.136 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.126 1.355 8.879 1.00 0.00 H new ATOM 265 N VAL A 20 3.142 0.518 3.123 1.00 0.00 N ATOM 266 CA VAL A 20 2.825 -0.899 2.990 1.00 0.00 C ATOM 267 C VAL A 20 3.476 -1.712 4.104 1.00 0.00 C ATOM 268 O VAL A 20 4.699 -1.844 4.158 1.00 0.00 O ATOM 269 CB VAL A 20 3.285 -1.452 1.629 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.779 -2.874 1.432 1.00 0.00 C ATOM 271 CG2 VAL A 20 2.813 -0.549 0.500 1.00 0.00 C ATOM 0 H VAL A 20 3.976 0.813 2.615 1.00 0.00 H new ATOM 0 HA VAL A 20 1.741 -0.990 3.062 1.00 0.00 H new ATOM 0 HB VAL A 20 4.375 -1.474 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.114 -3.249 0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.171 -3.513 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.690 -2.881 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.147 -0.955 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.724 -0.493 0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.229 0.450 0.635 1.00 0.00 H new ATOM 281 N ARG A 21 2.650 -2.258 4.990 1.00 0.00 N ATOM 282 CA ARG A 21 3.144 -3.060 6.103 1.00 0.00 C ATOM 283 C ARG A 21 2.974 -4.549 5.818 1.00 0.00 C ATOM 284 O ARG A 21 2.239 -4.938 4.912 1.00 0.00 O ATOM 285 CB ARG A 21 2.409 -2.690 7.392 1.00 0.00 C ATOM 286 CG ARG A 21 3.337 -2.395 8.560 1.00 0.00 C ATOM 287 CD ARG A 21 2.591 -2.422 9.885 1.00 0.00 C ATOM 288 NE ARG A 21 2.959 -1.300 10.742 1.00 0.00 N ATOM 289 CZ ARG A 21 4.105 -1.230 11.412 1.00 0.00 C ATOM 290 NH1 ARG A 21 4.989 -2.214 11.322 1.00 0.00 N ATOM 291 NH2 ARG A 21 4.367 -0.175 12.173 1.00 0.00 N ATOM 0 H ARG A 21 1.635 -2.160 4.959 1.00 0.00 H new ATOM 0 HA ARG A 21 4.207 -2.850 6.225 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.784 -1.816 7.206 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.741 -3.507 7.667 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.143 -3.129 8.580 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.799 -1.418 8.421 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.518 -2.398 9.697 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.803 -3.358 10.402 1.00 0.00 H new ATOM 0 HE ARG A 21 2.300 -0.526 10.832 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.790 -3.026 10.738 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.868 -2.159 11.837 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.689 0.583 12.244 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.247 -0.122 12.687 1.00 0.00 H new ATOM 305 N ASN A 22 3.661 -5.378 6.598 1.00 0.00 N ATOM 306 CA ASN A 22 3.587 -6.824 6.429 1.00 0.00 C ATOM 307 C ASN A 22 3.939 -7.224 4.999 1.00 0.00 C ATOM 308 O ASN A 22 3.056 -7.493 4.183 1.00 0.00 O ATOM 309 CB ASN A 22 2.187 -7.330 6.782 1.00 0.00 C ATOM 310 CG ASN A 22 1.916 -7.290 8.273 1.00 0.00 C ATOM 311 OD1 ASN A 22 2.437 -8.108 9.031 1.00 0.00 O ATOM 312 ND2 ASN A 22 1.097 -6.336 8.700 1.00 0.00 N ATOM 0 H ASN A 22 4.275 -5.073 7.353 1.00 0.00 H new ATOM 0 HA ASN A 22 4.311 -7.280 7.104 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.444 -6.724 6.264 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.072 -8.352 6.422 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.877 -6.260 9.693 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.688 -5.680 8.035 1.00 0.00 H new ATOM 319 N LEU A 23 5.233 -7.260 4.702 1.00 0.00 N ATOM 320 CA LEU A 23 5.702 -7.627 3.371 1.00 0.00 C ATOM 321 C LEU A 23 6.291 -9.035 3.370 1.00 0.00 C ATOM 322 O LEU A 23 6.389 -9.678 4.413 1.00 0.00 O ATOM 323 CB LEU A 23 6.751 -6.625 2.884 1.00 0.00 C ATOM 324 CG LEU A 23 6.212 -5.389 2.162 1.00 0.00 C ATOM 325 CD1 LEU A 23 5.145 -4.703 3.002 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.344 -4.422 1.843 1.00 0.00 C ATOM 0 H LEU A 23 5.976 -7.039 5.365 1.00 0.00 H new ATOM 0 HA LEU A 23 4.848 -7.609 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.335 -6.294 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.436 -7.143 2.213 1.00 0.00 H new ATOM 0 HG LEU A 23 5.758 -5.709 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.773 -3.826 2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.322 -5.395 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.574 -4.396 3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.942 -3.548 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.827 -4.109 2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.074 -4.916 1.202 1.00 0.00 H new ATOM 338 N ALA A 24 6.680 -9.507 2.189 1.00 0.00 N ATOM 339 CA ALA A 24 7.261 -10.836 2.053 1.00 0.00 C ATOM 340 C ALA A 24 8.785 -10.769 2.022 1.00 0.00 C ATOM 341 O ALA A 24 9.364 -9.802 1.527 1.00 0.00 O ATOM 342 CB ALA A 24 6.736 -11.515 0.796 1.00 0.00 C ATOM 0 H ALA A 24 6.603 -8.988 1.314 1.00 0.00 H new ATOM 0 HA ALA A 24 6.967 -11.425 2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.178 -12.507 0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.651 -11.605 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.002 -10.919 -0.077 1.00 0.00 H new ATOM 348 N THR A 25 9.429 -11.801 2.558 1.00 0.00 N ATOM 349 CA THR A 25 10.885 -11.858 2.593 1.00 0.00 C ATOM 350 C THR A 25 11.445 -12.427 1.294 1.00 0.00 C ATOM 351 O THR A 25 12.587 -12.151 0.924 1.00 0.00 O ATOM 352 CB THR A 25 11.384 -12.714 3.773 1.00 0.00 C ATOM 353 OG1 THR A 25 10.858 -12.207 5.004 1.00 0.00 O ATOM 354 CG2 THR A 25 12.904 -12.721 3.831 1.00 0.00 C ATOM 0 H THR A 25 8.965 -12.609 2.974 1.00 0.00 H new ATOM 0 HA THR A 25 11.239 -10.835 2.720 1.00 0.00 H new ATOM 0 HB THR A 25 11.036 -13.736 3.624 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.179 -12.758 5.748 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.233 -13.332 4.672 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.302 -13.135 2.904 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.268 -11.701 3.958 1.00 0.00 H new ATOM 362 N THR A 26 10.634 -13.223 0.603 1.00 0.00 N ATOM 363 CA THR A 26 11.049 -13.830 -0.654 1.00 0.00 C ATOM 364 C THR A 26 11.019 -12.816 -1.792 1.00 0.00 C ATOM 365 O THR A 26 11.784 -12.921 -2.751 1.00 0.00 O ATOM 366 CB THR A 26 10.151 -15.025 -1.024 1.00 0.00 C ATOM 367 OG1 THR A 26 8.772 -14.646 -0.941 1.00 0.00 O ATOM 368 CG2 THR A 26 10.413 -16.206 -0.101 1.00 0.00 C ATOM 0 H THR A 26 9.686 -13.462 0.894 1.00 0.00 H new ATOM 0 HA THR A 26 12.071 -14.182 -0.512 1.00 0.00 H new ATOM 0 HB THR A 26 10.385 -15.324 -2.046 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.208 -15.411 -1.179 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.767 -17.038 -0.382 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.456 -16.511 -0.188 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.204 -15.916 0.929 1.00 0.00 H new ATOM 376 N VAL A 27 10.133 -11.832 -1.678 1.00 0.00 N ATOM 377 CA VAL A 27 10.004 -10.797 -2.697 1.00 0.00 C ATOM 378 C VAL A 27 11.187 -9.837 -2.655 1.00 0.00 C ATOM 379 O VAL A 27 11.913 -9.769 -1.662 1.00 0.00 O ATOM 380 CB VAL A 27 8.701 -9.996 -2.521 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.497 -10.926 -2.532 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.744 -9.181 -1.238 1.00 0.00 C ATOM 0 H VAL A 27 9.494 -11.730 -0.890 1.00 0.00 H new ATOM 0 HA VAL A 27 9.983 -11.303 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 27 8.604 -9.305 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.585 -10.342 -2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.458 -11.460 -3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.584 -11.643 -1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.815 -8.622 -1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.865 -9.850 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.583 -8.486 -1.276 1.00 0.00 H new ATOM 392 N THR A 28 11.378 -9.093 -3.741 1.00 0.00 N ATOM 393 CA THR A 28 12.473 -8.136 -3.829 1.00 0.00 C ATOM 394 C THR A 28 11.971 -6.766 -4.272 1.00 0.00 C ATOM 395 O THR A 28 10.825 -6.621 -4.693 1.00 0.00 O ATOM 396 CB THR A 28 13.559 -8.614 -4.812 1.00 0.00 C ATOM 397 OG1 THR A 28 14.677 -7.721 -4.779 1.00 0.00 O ATOM 398 CG2 THR A 28 13.009 -8.694 -6.228 1.00 0.00 C ATOM 0 H THR A 28 10.788 -9.136 -4.572 1.00 0.00 H new ATOM 0 HA THR A 28 12.905 -8.057 -2.831 1.00 0.00 H new ATOM 0 HB THR A 28 13.881 -9.610 -4.507 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.363 -8.033 -5.405 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.793 -9.034 -6.904 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.176 -9.397 -6.256 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.662 -7.709 -6.540 1.00 0.00 H new ATOM 406 N GLU A 29 12.839 -5.763 -4.173 1.00 0.00 N ATOM 407 CA GLU A 29 12.482 -4.404 -4.563 1.00 0.00 C ATOM 408 C GLU A 29 11.978 -4.366 -6.004 1.00 0.00 C ATOM 409 O GLU A 29 11.200 -3.489 -6.377 1.00 0.00 O ATOM 410 CB GLU A 29 13.685 -3.472 -4.407 1.00 0.00 C ATOM 411 CG GLU A 29 13.807 -2.862 -3.021 1.00 0.00 C ATOM 412 CD GLU A 29 15.202 -2.343 -2.733 1.00 0.00 C ATOM 413 OE1 GLU A 29 15.745 -1.598 -3.575 1.00 0.00 O ATOM 414 OE2 GLU A 29 15.751 -2.682 -1.663 1.00 0.00 O ATOM 0 H GLU A 29 13.793 -5.866 -3.827 1.00 0.00 H new ATOM 0 HA GLU A 29 11.681 -4.064 -3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.596 -4.027 -4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.611 -2.671 -5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.092 -2.045 -2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.540 -3.610 -2.274 1.00 0.00 H new ATOM 421 N GLU A 30 12.430 -5.324 -6.808 1.00 0.00 N ATOM 422 CA GLU A 30 12.027 -5.398 -8.206 1.00 0.00 C ATOM 423 C GLU A 30 10.546 -5.745 -8.328 1.00 0.00 C ATOM 424 O GLU A 30 9.788 -5.045 -9.001 1.00 0.00 O ATOM 425 CB GLU A 30 12.868 -6.440 -8.948 1.00 0.00 C ATOM 426 CG GLU A 30 13.299 -5.999 -10.337 1.00 0.00 C ATOM 427 CD GLU A 30 14.643 -6.570 -10.739 1.00 0.00 C ATOM 428 OE1 GLU A 30 15.152 -7.455 -10.020 1.00 0.00 O ATOM 429 OE2 GLU A 30 15.188 -6.131 -11.774 1.00 0.00 O ATOM 0 H GLU A 30 13.075 -6.058 -6.515 1.00 0.00 H new ATOM 0 HA GLU A 30 12.192 -4.419 -8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.755 -6.666 -8.356 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.296 -7.364 -9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.546 -6.308 -11.062 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.346 -4.911 -10.370 1.00 0.00 H new ATOM 436 N ILE A 31 10.141 -6.828 -7.674 1.00 0.00 N ATOM 437 CA ILE A 31 8.752 -7.266 -7.708 1.00 0.00 C ATOM 438 C ILE A 31 7.823 -6.194 -7.151 1.00 0.00 C ATOM 439 O ILE A 31 6.853 -5.798 -7.799 1.00 0.00 O ATOM 440 CB ILE A 31 8.553 -8.568 -6.909 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.464 -9.671 -7.452 1.00 0.00 C ATOM 442 CG2 ILE A 31 7.096 -9.004 -6.961 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.611 -10.850 -6.516 1.00 0.00 C ATOM 0 H ILE A 31 10.756 -7.418 -7.114 1.00 0.00 H new ATOM 0 HA ILE A 31 8.505 -7.449 -8.754 1.00 0.00 H new ATOM 0 HB ILE A 31 8.820 -8.382 -5.869 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.068 -10.022 -8.405 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.450 -9.251 -7.652 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.971 -9.925 -6.392 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.467 -8.224 -6.531 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.804 -9.175 -7.997 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.270 -11.592 -6.966 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.036 -10.513 -5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.633 -11.296 -6.336 1.00 0.00 H new ATOM 455 N LEU A 32 8.126 -5.725 -5.946 1.00 0.00 N ATOM 456 CA LEU A 32 7.319 -4.695 -5.300 1.00 0.00 C ATOM 457 C LEU A 32 7.196 -3.463 -6.190 1.00 0.00 C ATOM 458 O LEU A 32 6.228 -2.708 -6.091 1.00 0.00 O ATOM 459 CB LEU A 32 7.934 -4.307 -3.954 1.00 0.00 C ATOM 460 CG LEU A 32 7.651 -5.255 -2.789 1.00 0.00 C ATOM 461 CD1 LEU A 32 8.786 -5.209 -1.776 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.328 -4.905 -2.125 1.00 0.00 C ATOM 0 H LEU A 32 8.925 -6.041 -5.396 1.00 0.00 H new ATOM 0 HA LEU A 32 6.321 -5.101 -5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.014 -4.230 -4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.573 -3.315 -3.685 1.00 0.00 H new ATOM 0 HG LEU A 32 7.581 -6.270 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.567 -5.890 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.716 -5.509 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.888 -4.195 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.143 -5.591 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.370 -3.883 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.522 -4.990 -2.853 1.00 0.00 H new ATOM 474 N GLU A 33 8.181 -3.267 -7.061 1.00 0.00 N ATOM 475 CA GLU A 33 8.180 -2.126 -7.970 1.00 0.00 C ATOM 476 C GLU A 33 7.083 -2.268 -9.020 1.00 0.00 C ATOM 477 O GLU A 33 6.125 -1.494 -9.042 1.00 0.00 O ATOM 478 CB GLU A 33 9.542 -1.991 -8.654 1.00 0.00 C ATOM 479 CG GLU A 33 10.305 -0.740 -8.252 1.00 0.00 C ATOM 480 CD GLU A 33 11.591 -0.563 -9.037 1.00 0.00 C ATOM 481 OE1 GLU A 33 12.516 -1.380 -8.853 1.00 0.00 O ATOM 482 OE2 GLU A 33 11.670 0.394 -9.835 1.00 0.00 O ATOM 0 H GLU A 33 8.989 -3.882 -7.157 1.00 0.00 H new ATOM 0 HA GLU A 33 7.984 -1.227 -7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.146 -2.867 -8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.397 -1.987 -9.734 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.669 0.133 -8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.537 -0.787 -7.188 1.00 0.00 H new ATOM 489 N LYS A 34 7.229 -3.261 -9.890 1.00 0.00 N ATOM 490 CA LYS A 34 6.250 -3.507 -10.943 1.00 0.00 C ATOM 491 C LYS A 34 4.841 -3.601 -10.366 1.00 0.00 C ATOM 492 O LYS A 34 3.865 -3.259 -11.031 1.00 0.00 O ATOM 493 CB LYS A 34 6.592 -4.796 -11.695 1.00 0.00 C ATOM 494 CG LYS A 34 7.265 -4.557 -13.035 1.00 0.00 C ATOM 495 CD LYS A 34 8.705 -5.044 -13.030 1.00 0.00 C ATOM 496 CE LYS A 34 8.828 -6.426 -13.653 1.00 0.00 C ATOM 497 NZ LYS A 34 10.209 -6.971 -13.528 1.00 0.00 N ATOM 0 H LYS A 34 8.016 -3.909 -9.887 1.00 0.00 H new ATOM 0 HA LYS A 34 6.283 -2.668 -11.638 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.246 -5.407 -11.073 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.678 -5.368 -11.854 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.709 -5.070 -13.819 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.240 -3.493 -13.271 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.330 -4.340 -13.578 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.078 -5.071 -12.006 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.125 -7.105 -13.171 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.552 -6.375 -14.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.251 -7.914 -13.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.878 -6.336 -14.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.464 -7.044 -12.522 1.00 0.00 H new ATOM 511 N SER A 35 4.745 -4.065 -9.124 1.00 0.00 N ATOM 512 CA SER A 35 3.456 -4.205 -8.459 1.00 0.00 C ATOM 513 C SER A 35 2.673 -2.896 -8.508 1.00 0.00 C ATOM 514 O SER A 35 1.484 -2.882 -8.826 1.00 0.00 O ATOM 515 CB SER A 35 3.652 -4.640 -7.005 1.00 0.00 C ATOM 516 OG SER A 35 4.404 -5.838 -6.928 1.00 0.00 O ATOM 0 H SER A 35 5.545 -4.350 -8.559 1.00 0.00 H new ATOM 0 HA SER A 35 2.885 -4.970 -8.986 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.161 -3.851 -6.452 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.681 -4.785 -6.532 1.00 0.00 H new ATOM 0 HG SER A 35 5.333 -5.658 -7.184 1.00 0.00 H new ATOM 522 N PHE A 36 3.350 -1.797 -8.191 1.00 0.00 N ATOM 523 CA PHE A 36 2.720 -0.482 -8.198 1.00 0.00 C ATOM 524 C PHE A 36 2.949 0.224 -9.530 1.00 0.00 C ATOM 525 O PHE A 36 2.160 1.077 -9.937 1.00 0.00 O ATOM 526 CB PHE A 36 3.265 0.374 -7.053 1.00 0.00 C ATOM 527 CG PHE A 36 2.892 -0.137 -5.691 1.00 0.00 C ATOM 528 CD1 PHE A 36 1.641 0.124 -5.157 1.00 0.00 C ATOM 529 CD2 PHE A 36 3.794 -0.879 -4.944 1.00 0.00 C ATOM 530 CE1 PHE A 36 1.294 -0.346 -3.904 1.00 0.00 C ATOM 531 CE2 PHE A 36 3.453 -1.351 -3.691 1.00 0.00 C ATOM 532 CZ PHE A 36 2.202 -1.084 -3.170 1.00 0.00 C ATOM 0 H PHE A 36 4.335 -1.791 -7.926 1.00 0.00 H new ATOM 0 HA PHE A 36 1.648 -0.620 -8.060 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.351 0.420 -7.130 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.894 1.393 -7.164 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.928 0.702 -5.726 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.774 -1.090 -5.346 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.315 -0.136 -3.500 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.164 -1.928 -3.119 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.934 -1.452 -2.190 1.00 0.00 H new ATOM 542 N SER A 37 4.036 -0.137 -10.205 1.00 0.00 N ATOM 543 CA SER A 37 4.373 0.464 -11.490 1.00 0.00 C ATOM 544 C SER A 37 3.222 0.311 -12.480 1.00 0.00 C ATOM 545 O SER A 37 3.073 1.111 -13.402 1.00 0.00 O ATOM 546 CB SER A 37 5.640 -0.176 -12.060 1.00 0.00 C ATOM 547 OG SER A 37 6.471 0.795 -12.674 1.00 0.00 O ATOM 0 H SER A 37 4.698 -0.843 -9.883 1.00 0.00 H new ATOM 0 HA SER A 37 4.552 1.527 -11.330 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.189 -0.677 -11.262 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.369 -0.940 -12.789 1.00 0.00 H new ATOM 0 HG SER A 37 7.275 0.361 -13.029 1.00 0.00 H new ATOM 553 N GLU A 38 2.411 -0.723 -12.280 1.00 0.00 N ATOM 554 CA GLU A 38 1.275 -0.983 -13.156 1.00 0.00 C ATOM 555 C GLU A 38 0.178 0.057 -12.946 1.00 0.00 C ATOM 556 O GLU A 38 -0.615 0.330 -13.847 1.00 0.00 O ATOM 557 CB GLU A 38 0.718 -2.386 -12.904 1.00 0.00 C ATOM 558 CG GLU A 38 -0.031 -2.516 -11.588 1.00 0.00 C ATOM 559 CD GLU A 38 -0.150 -3.955 -11.125 1.00 0.00 C ATOM 560 OE1 GLU A 38 0.830 -4.712 -11.282 1.00 0.00 O ATOM 561 OE2 GLU A 38 -1.224 -4.324 -10.606 1.00 0.00 O ATOM 0 H GLU A 38 2.520 -1.394 -11.519 1.00 0.00 H new ATOM 0 HA GLU A 38 1.622 -0.918 -14.187 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.049 -2.654 -13.721 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.540 -3.102 -12.917 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.482 -1.933 -10.823 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.028 -2.090 -11.698 1.00 0.00 H new ATOM 568 N PHE A 39 0.140 0.634 -11.749 1.00 0.00 N ATOM 569 CA PHE A 39 -0.861 1.643 -11.418 1.00 0.00 C ATOM 570 C PHE A 39 -0.457 3.008 -11.966 1.00 0.00 C ATOM 571 O PHE A 39 -1.240 3.675 -12.641 1.00 0.00 O ATOM 572 CB PHE A 39 -1.052 1.724 -9.902 1.00 0.00 C ATOM 573 CG PHE A 39 -1.797 0.553 -9.328 1.00 0.00 C ATOM 574 CD1 PHE A 39 -1.127 -0.607 -8.979 1.00 0.00 C ATOM 575 CD2 PHE A 39 -3.168 0.614 -9.139 1.00 0.00 C ATOM 576 CE1 PHE A 39 -1.810 -1.686 -8.451 1.00 0.00 C ATOM 577 CE2 PHE A 39 -3.857 -0.462 -8.610 1.00 0.00 C ATOM 578 CZ PHE A 39 -3.177 -1.613 -8.265 1.00 0.00 C ATOM 0 H PHE A 39 0.790 0.421 -10.993 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.804 1.350 -11.880 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.075 1.792 -9.424 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.590 2.641 -9.660 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.058 -0.669 -9.121 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.705 1.512 -9.408 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.276 -2.586 -8.184 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.926 -0.402 -8.467 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.713 -2.454 -7.851 1.00 0.00 H new ATOM 588 N GLY A 40 0.773 3.419 -11.668 1.00 0.00 N ATOM 589 CA GLY A 40 1.260 4.703 -12.137 1.00 0.00 C ATOM 590 C GLY A 40 2.766 4.829 -12.022 1.00 0.00 C ATOM 591 O GLY A 40 3.409 4.058 -11.310 1.00 0.00 O ATOM 0 H GLY A 40 1.440 2.885 -11.110 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.965 4.842 -13.177 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.787 5.499 -11.563 1.00 0.00 H new ATOM 595 N LYS A 41 3.332 5.802 -12.727 1.00 0.00 N ATOM 596 CA LYS A 41 4.772 6.027 -12.703 1.00 0.00 C ATOM 597 C LYS A 41 5.273 6.195 -11.272 1.00 0.00 C ATOM 598 O LYS A 41 5.019 7.215 -10.630 1.00 0.00 O ATOM 599 CB LYS A 41 5.130 7.266 -13.527 1.00 0.00 C ATOM 600 CG LYS A 41 6.340 7.072 -14.423 1.00 0.00 C ATOM 601 CD LYS A 41 7.628 7.030 -13.620 1.00 0.00 C ATOM 602 CE LYS A 41 8.849 6.951 -14.525 1.00 0.00 C ATOM 603 NZ LYS A 41 8.986 5.608 -15.153 1.00 0.00 N ATOM 0 H LYS A 41 2.815 6.448 -13.323 1.00 0.00 H new ATOM 0 HA LYS A 41 5.257 5.154 -13.140 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.274 7.543 -14.142 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.319 8.100 -12.851 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.231 6.145 -14.987 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.390 7.883 -15.149 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.696 7.919 -12.993 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.613 6.169 -12.952 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.774 7.710 -15.303 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.745 7.175 -13.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.829 5.594 -15.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.083 4.886 -14.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.142 5.405 -15.726 1.00 0.00 H new ATOM 617 N LEU A 42 5.985 5.188 -10.778 1.00 0.00 N ATOM 618 CA LEU A 42 6.523 5.224 -9.422 1.00 0.00 C ATOM 619 C LEU A 42 7.692 6.199 -9.327 1.00 0.00 C ATOM 620 O LEU A 42 8.234 6.635 -10.341 1.00 0.00 O ATOM 621 CB LEU A 42 6.974 3.826 -8.994 1.00 0.00 C ATOM 622 CG LEU A 42 5.901 2.737 -9.025 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.523 1.369 -8.791 1.00 0.00 C ATOM 624 CD2 LEU A 42 4.825 3.020 -7.987 1.00 0.00 C ATOM 0 H LEU A 42 6.203 4.337 -11.296 1.00 0.00 H new ATOM 0 HA LEU A 42 5.733 5.565 -8.752 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.796 3.517 -9.640 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.371 3.888 -7.981 1.00 0.00 H new ATOM 0 HG LEU A 42 5.436 2.739 -10.011 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.745 0.606 -8.816 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.257 1.165 -9.571 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.014 1.354 -7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.069 2.235 -8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.275 3.046 -6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.359 3.982 -8.199 1.00 0.00 H new ATOM 636 N GLU A 43 8.077 6.535 -8.099 1.00 0.00 N ATOM 637 CA GLU A 43 9.183 7.458 -7.871 1.00 0.00 C ATOM 638 C GLU A 43 10.420 6.712 -7.377 1.00 0.00 C ATOM 639 O GLU A 43 11.514 6.880 -7.915 1.00 0.00 O ATOM 640 CB GLU A 43 8.781 8.529 -6.856 1.00 0.00 C ATOM 641 CG GLU A 43 9.832 9.610 -6.663 1.00 0.00 C ATOM 642 CD GLU A 43 9.416 10.653 -5.645 1.00 0.00 C ATOM 643 OE1 GLU A 43 8.380 11.316 -5.863 1.00 0.00 O ATOM 644 OE2 GLU A 43 10.127 10.807 -4.629 1.00 0.00 O ATOM 0 H GLU A 43 7.640 6.182 -7.248 1.00 0.00 H new ATOM 0 HA GLU A 43 9.424 7.939 -8.819 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.850 8.993 -7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.582 8.052 -5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.767 9.149 -6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.026 10.097 -7.618 1.00 0.00 H new ATOM 651 N ARG A 44 10.237 5.889 -6.350 1.00 0.00 N ATOM 652 CA ARG A 44 11.337 5.119 -5.783 1.00 0.00 C ATOM 653 C ARG A 44 10.846 4.223 -4.651 1.00 0.00 C ATOM 654 O ARG A 44 10.046 4.642 -3.815 1.00 0.00 O ATOM 655 CB ARG A 44 12.431 6.057 -5.268 1.00 0.00 C ATOM 656 CG ARG A 44 13.511 5.350 -4.466 1.00 0.00 C ATOM 657 CD ARG A 44 14.858 6.038 -4.618 1.00 0.00 C ATOM 658 NE ARG A 44 15.952 5.222 -4.097 1.00 0.00 N ATOM 659 CZ ARG A 44 17.210 5.642 -4.022 1.00 0.00 C ATOM 660 NH1 ARG A 44 17.532 6.861 -4.431 1.00 0.00 N ATOM 661 NH2 ARG A 44 18.149 4.840 -3.535 1.00 0.00 N ATOM 0 H ARG A 44 9.337 5.738 -5.894 1.00 0.00 H new ATOM 0 HA ARG A 44 11.750 4.488 -6.570 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.893 6.563 -6.116 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.974 6.827 -4.647 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.229 5.329 -3.413 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.591 4.314 -4.796 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.037 6.255 -5.671 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.838 6.994 -4.095 1.00 0.00 H new ATOM 0 HE ARG A 44 15.738 4.279 -3.773 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.813 7.480 -4.805 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.499 7.180 -4.372 1.00 0.00 H new ATOM 0 HH21 ARG A 44 17.904 3.902 -3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.115 5.162 -3.477 1.00 0.00 H new ATOM 675 N VAL A 45 11.330 2.985 -4.630 1.00 0.00 N ATOM 676 CA VAL A 45 10.943 2.028 -3.601 1.00 0.00 C ATOM 677 C VAL A 45 12.133 1.647 -2.727 1.00 0.00 C ATOM 678 O VAL A 45 13.262 1.550 -3.206 1.00 0.00 O ATOM 679 CB VAL A 45 10.343 0.751 -4.219 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.956 -0.238 -3.131 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.144 1.094 -5.091 1.00 0.00 C ATOM 0 H VAL A 45 11.992 2.621 -5.315 1.00 0.00 H new ATOM 0 HA VAL A 45 10.186 2.515 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 45 11.099 0.283 -4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.534 -1.134 -3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.840 -0.507 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.216 0.217 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.733 0.180 -5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.383 1.586 -4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.457 1.762 -5.893 1.00 0.00 H new ATOM 691 N LYS A 46 11.871 1.431 -1.443 1.00 0.00 N ATOM 692 CA LYS A 46 12.919 1.059 -0.501 1.00 0.00 C ATOM 693 C LYS A 46 12.412 0.020 0.495 1.00 0.00 C ATOM 694 O LYS A 46 11.290 0.116 0.991 1.00 0.00 O ATOM 695 CB LYS A 46 13.423 2.294 0.249 1.00 0.00 C ATOM 696 CG LYS A 46 14.902 2.234 0.594 1.00 0.00 C ATOM 697 CD LYS A 46 15.765 2.209 -0.655 1.00 0.00 C ATOM 698 CE LYS A 46 16.930 3.182 -0.547 1.00 0.00 C ATOM 699 NZ LYS A 46 16.481 4.599 -0.632 1.00 0.00 N ATOM 0 H LYS A 46 10.941 1.507 -1.031 1.00 0.00 H new ATOM 0 HA LYS A 46 13.743 0.624 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.236 3.179 -0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.848 2.411 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.169 3.096 1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.101 1.345 1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.146 1.200 -0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.157 2.462 -1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.450 3.022 0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.646 2.980 -1.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.307 5.218 -0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.837 4.711 -1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.985 4.859 0.244 1.00 0.00 H new ATOM 713 N LYS A 47 13.246 -0.974 0.783 1.00 0.00 N ATOM 714 CA LYS A 47 12.884 -2.030 1.721 1.00 0.00 C ATOM 715 C LYS A 47 13.343 -1.683 3.134 1.00 0.00 C ATOM 716 O LYS A 47 14.517 -1.846 3.474 1.00 0.00 O ATOM 717 CB LYS A 47 13.500 -3.361 1.285 1.00 0.00 C ATOM 718 CG LYS A 47 12.586 -4.555 1.502 1.00 0.00 C ATOM 719 CD LYS A 47 12.571 -5.473 0.292 1.00 0.00 C ATOM 720 CE LYS A 47 11.776 -6.741 0.563 1.00 0.00 C ATOM 721 NZ LYS A 47 12.655 -7.941 0.640 1.00 0.00 N ATOM 0 H LYS A 47 14.178 -1.070 0.380 1.00 0.00 H new ATOM 0 HA LYS A 47 11.798 -2.123 1.723 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.762 -3.302 0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.428 -3.520 1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.916 -5.112 2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.574 -4.207 1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.139 -4.947 -0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.594 -5.735 0.020 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.227 -6.632 1.498 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.037 -6.882 -0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.432 -8.585 -0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.650 -7.647 0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.497 -8.430 1.544 1.00 0.00 H new ATOM 735 N LEU A 48 12.413 -1.207 3.954 1.00 0.00 N ATOM 736 CA LEU A 48 12.722 -0.840 5.332 1.00 0.00 C ATOM 737 C LEU A 48 11.810 -1.575 6.309 1.00 0.00 C ATOM 738 O LEU A 48 10.612 -1.304 6.380 1.00 0.00 O ATOM 739 CB LEU A 48 12.579 0.671 5.521 1.00 0.00 C ATOM 740 CG LEU A 48 13.755 1.523 5.040 1.00 0.00 C ATOM 741 CD1 LEU A 48 15.031 1.131 5.768 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.934 1.383 3.535 1.00 0.00 C ATOM 0 H LEU A 48 11.438 -1.066 3.689 1.00 0.00 H new ATOM 0 HA LEU A 48 13.752 -1.130 5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.681 0.999 4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.421 0.871 6.581 1.00 0.00 H new ATOM 0 HG LEU A 48 13.538 2.567 5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.857 1.748 5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.900 1.282 6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.253 0.081 5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.775 1.996 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.128 0.339 3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.027 1.713 3.028 1.00 0.00 H new ATOM 754 N LYS A 49 12.388 -2.505 7.062 1.00 0.00 N ATOM 755 CA LYS A 49 11.630 -3.277 8.039 1.00 0.00 C ATOM 756 C LYS A 49 10.561 -4.122 7.354 1.00 0.00 C ATOM 757 O LYS A 49 10.611 -4.341 6.143 1.00 0.00 O ATOM 758 CB LYS A 49 10.978 -2.345 9.063 1.00 0.00 C ATOM 759 CG LYS A 49 11.102 -2.834 10.496 1.00 0.00 C ATOM 760 CD LYS A 49 12.508 -2.631 11.036 1.00 0.00 C ATOM 761 CE LYS A 49 12.589 -2.965 12.518 1.00 0.00 C ATOM 762 NZ LYS A 49 13.909 -2.594 13.098 1.00 0.00 N ATOM 0 H LYS A 49 13.379 -2.742 7.014 1.00 0.00 H new ATOM 0 HA LYS A 49 12.322 -3.944 8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.433 -1.357 8.984 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.922 -2.230 8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.389 -2.302 11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.842 -3.891 10.544 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.206 -3.258 10.482 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.814 -1.597 10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.797 -2.440 13.052 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.417 -4.032 12.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.925 -2.837 14.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.663 -3.114 12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.063 -1.572 12.986 1.00 0.00 H new ATOM 776 N ASP A 50 9.595 -4.593 8.135 1.00 0.00 N ATOM 777 CA ASP A 50 8.512 -5.412 7.601 1.00 0.00 C ATOM 778 C ASP A 50 7.707 -4.638 6.562 1.00 0.00 C ATOM 779 O ASP A 50 6.951 -5.224 5.786 1.00 0.00 O ATOM 780 CB ASP A 50 7.592 -5.878 8.731 1.00 0.00 C ATOM 781 CG ASP A 50 7.403 -7.382 8.740 1.00 0.00 C ATOM 782 OD1 ASP A 50 7.011 -7.937 7.692 1.00 0.00 O ATOM 783 OD2 ASP A 50 7.648 -8.005 9.794 1.00 0.00 O ATOM 0 H ASP A 50 9.539 -4.422 9.139 1.00 0.00 H new ATOM 0 HA ASP A 50 8.953 -6.284 7.118 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.007 -5.561 9.688 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.621 -5.393 8.629 1.00 0.00 H new ATOM 788 N TYR A 51 7.874 -3.320 6.552 1.00 0.00 N ATOM 789 CA TYR A 51 7.161 -2.466 5.610 1.00 0.00 C ATOM 790 C TYR A 51 8.097 -1.961 4.516 1.00 0.00 C ATOM 791 O TYR A 51 9.262 -2.352 4.451 1.00 0.00 O ATOM 792 CB TYR A 51 6.527 -1.282 6.341 1.00 0.00 C ATOM 793 CG TYR A 51 7.491 -0.538 7.238 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.336 0.437 6.723 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.554 -0.808 8.598 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.219 1.119 7.538 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.432 -0.130 9.421 1.00 0.00 C ATOM 798 CZ TYR A 51 9.264 0.832 8.886 1.00 0.00 C ATOM 799 OH TYR A 51 10.141 1.510 9.701 1.00 0.00 O ATOM 0 H TYR A 51 8.497 -2.820 7.186 1.00 0.00 H new ATOM 0 HA TYR A 51 6.374 -3.060 5.144 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.119 -0.588 5.606 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.690 -1.641 6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.302 0.666 5.668 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.905 -1.561 9.020 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.871 1.873 7.121 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.467 -0.352 10.477 1.00 0.00 H new ATOM 0 HH TYR A 51 10.046 1.189 10.622 1.00 0.00 H new ATOM 809 N ALA A 52 7.577 -1.088 3.658 1.00 0.00 N ATOM 810 CA ALA A 52 8.367 -0.526 2.570 1.00 0.00 C ATOM 811 C ALA A 52 7.945 0.909 2.270 1.00 0.00 C ATOM 812 O ALA A 52 6.849 1.333 2.637 1.00 0.00 O ATOM 813 CB ALA A 52 8.234 -1.388 1.323 1.00 0.00 C ATOM 0 H ALA A 52 6.613 -0.756 3.696 1.00 0.00 H new ATOM 0 HA ALA A 52 9.412 -0.513 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.829 -0.957 0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.590 -2.396 1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.188 -1.429 1.019 1.00 0.00 H new ATOM 819 N PHE A 53 8.822 1.650 1.601 1.00 0.00 N ATOM 820 CA PHE A 53 8.541 3.038 1.254 1.00 0.00 C ATOM 821 C PHE A 53 8.573 3.238 -0.258 1.00 0.00 C ATOM 822 O PHE A 53 9.640 3.230 -0.873 1.00 0.00 O ATOM 823 CB PHE A 53 9.553 3.969 1.925 1.00 0.00 C ATOM 824 CG PHE A 53 9.378 4.072 3.413 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.136 4.350 3.960 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.456 3.890 4.265 1.00 0.00 C ATOM 827 CE1 PHE A 53 7.972 4.447 5.330 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.298 3.984 5.635 1.00 0.00 C ATOM 829 CZ PHE A 53 9.055 4.261 6.168 1.00 0.00 C ATOM 0 H PHE A 53 9.733 1.313 1.289 1.00 0.00 H new ATOM 0 HA PHE A 53 7.541 3.281 1.614 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.560 3.613 1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.466 4.963 1.487 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.286 4.493 3.309 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.431 3.672 3.854 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.999 4.668 5.744 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.146 3.841 6.288 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.929 4.332 7.238 1.00 0.00 H new ATOM 839 N VAL A 54 7.398 3.418 -0.851 1.00 0.00 N ATOM 840 CA VAL A 54 7.291 3.619 -2.291 1.00 0.00 C ATOM 841 C VAL A 54 6.687 4.983 -2.611 1.00 0.00 C ATOM 842 O VAL A 54 5.488 5.199 -2.437 1.00 0.00 O ATOM 843 CB VAL A 54 6.433 2.523 -2.950 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.436 2.679 -4.463 1.00 0.00 C ATOM 845 CG2 VAL A 54 6.931 1.144 -2.547 1.00 0.00 C ATOM 0 H VAL A 54 6.506 3.429 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 54 8.303 3.568 -2.694 1.00 0.00 H new ATOM 0 HB VAL A 54 5.406 2.630 -2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.824 1.896 -4.911 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.028 3.654 -4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.457 2.599 -4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.314 0.381 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.966 1.023 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.871 1.038 -1.464 1.00 0.00 H new ATOM 855 N HIS A 55 7.526 5.900 -3.082 1.00 0.00 N ATOM 856 CA HIS A 55 7.076 7.243 -3.427 1.00 0.00 C ATOM 857 C HIS A 55 6.480 7.271 -4.832 1.00 0.00 C ATOM 858 O HIS A 55 6.796 6.424 -5.668 1.00 0.00 O ATOM 859 CB HIS A 55 8.237 8.233 -3.334 1.00 0.00 C ATOM 860 CG HIS A 55 8.503 8.715 -1.941 1.00 0.00 C ATOM 861 ND1 HIS A 55 7.941 9.863 -1.422 1.00 0.00 N ATOM 862 CD2 HIS A 55 9.275 8.197 -0.957 1.00 0.00 C ATOM 863 CE1 HIS A 55 8.358 10.030 -0.179 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.168 9.033 0.127 1.00 0.00 N ATOM 0 H HIS A 55 8.521 5.737 -3.233 1.00 0.00 H new ATOM 0 HA HIS A 55 6.303 7.534 -2.716 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.138 7.761 -3.725 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.024 9.091 -3.972 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.865 7.294 -1.014 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.083 10.844 0.475 1.00 0.00 H new ATOM 0 HE2 HIS A 55 9.638 8.905 1.023 1.00 0.00 H new ATOM 872 N PHE A 56 5.616 8.249 -5.083 1.00 0.00 N ATOM 873 CA PHE A 56 4.973 8.386 -6.385 1.00 0.00 C ATOM 874 C PHE A 56 5.261 9.757 -6.992 1.00 0.00 C ATOM 875 O PHE A 56 5.746 10.658 -6.309 1.00 0.00 O ATOM 876 CB PHE A 56 3.463 8.180 -6.257 1.00 0.00 C ATOM 877 CG PHE A 56 3.069 6.743 -6.069 1.00 0.00 C ATOM 878 CD1 PHE A 56 3.139 6.149 -4.819 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.627 5.985 -7.141 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.777 4.827 -4.643 1.00 0.00 C ATOM 881 CE2 PHE A 56 2.263 4.662 -6.971 1.00 0.00 C ATOM 882 CZ PHE A 56 2.337 4.083 -5.721 1.00 0.00 C ATOM 0 H PHE A 56 5.345 8.958 -4.402 1.00 0.00 H new ATOM 0 HA PHE A 56 5.382 7.622 -7.046 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.095 8.763 -5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.974 8.569 -7.150 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.480 6.726 -3.972 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.566 6.433 -8.122 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.838 4.376 -3.664 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.921 4.083 -7.816 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.052 3.050 -5.585 1.00 0.00 H new ATOM 892 N GLU A 57 4.959 9.903 -8.278 1.00 0.00 N ATOM 893 CA GLU A 57 5.187 11.163 -8.977 1.00 0.00 C ATOM 894 C GLU A 57 3.914 12.004 -9.008 1.00 0.00 C ATOM 895 O GLU A 57 3.724 12.827 -9.905 1.00 0.00 O ATOM 896 CB GLU A 57 5.673 10.899 -10.403 1.00 0.00 C ATOM 897 CG GLU A 57 7.006 11.555 -10.723 1.00 0.00 C ATOM 898 CD GLU A 57 6.845 12.909 -11.386 1.00 0.00 C ATOM 899 OE1 GLU A 57 6.440 13.865 -10.693 1.00 0.00 O ATOM 900 OE2 GLU A 57 7.126 13.013 -12.599 1.00 0.00 O ATOM 0 H GLU A 57 4.556 9.166 -8.857 1.00 0.00 H new ATOM 0 HA GLU A 57 5.955 11.717 -8.437 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.761 9.823 -10.554 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.922 11.259 -11.106 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.580 11.671 -9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.581 10.900 -11.377 1.00 0.00 H new ATOM 907 N ASP A 58 3.047 11.793 -8.025 1.00 0.00 N ATOM 908 CA ASP A 58 1.793 12.531 -7.939 1.00 0.00 C ATOM 909 C ASP A 58 1.027 12.157 -6.673 1.00 0.00 C ATOM 910 O ASP A 58 1.504 11.366 -5.859 1.00 0.00 O ATOM 911 CB ASP A 58 0.929 12.258 -9.171 1.00 0.00 C ATOM 912 CG ASP A 58 0.332 13.525 -9.751 1.00 0.00 C ATOM 913 OD1 ASP A 58 1.090 14.321 -10.343 1.00 0.00 O ATOM 914 OD2 ASP A 58 -0.894 13.720 -9.614 1.00 0.00 O ATOM 0 H ASP A 58 3.190 11.116 -7.275 1.00 0.00 H new ATOM 0 HA ASP A 58 2.029 13.594 -7.899 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.532 11.763 -9.932 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.126 11.571 -8.903 1.00 0.00 H new ATOM 919 N ARG A 59 -0.161 12.732 -6.514 1.00 0.00 N ATOM 920 CA ARG A 59 -0.990 12.460 -5.347 1.00 0.00 C ATOM 921 C ARG A 59 -2.072 11.435 -5.676 1.00 0.00 C ATOM 922 O ARG A 59 -2.480 10.653 -4.818 1.00 0.00 O ATOM 923 CB ARG A 59 -1.635 13.752 -4.842 1.00 0.00 C ATOM 924 CG ARG A 59 -2.569 13.545 -3.661 1.00 0.00 C ATOM 925 CD ARG A 59 -4.007 13.886 -4.022 1.00 0.00 C ATOM 926 NE ARG A 59 -4.754 12.709 -4.460 1.00 0.00 N ATOM 927 CZ ARG A 59 -6.069 12.701 -4.644 1.00 0.00 C ATOM 928 NH1 ARG A 59 -6.779 13.799 -4.428 1.00 0.00 N ATOM 929 NH2 ARG A 59 -6.678 11.592 -5.043 1.00 0.00 N ATOM 0 H ARG A 59 -0.570 13.389 -7.179 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.350 12.050 -4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.850 14.452 -4.555 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.191 14.213 -5.658 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.512 12.509 -3.328 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.245 14.166 -2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.502 14.329 -3.158 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.014 14.636 -4.813 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.237 11.847 -4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.315 14.654 -4.119 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.789 13.789 -4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.136 10.744 -5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.688 11.587 -5.184 1.00 0.00 H new ATOM 943 N GLY A 60 -2.531 11.445 -6.923 1.00 0.00 N ATOM 944 CA GLY A 60 -3.561 10.513 -7.343 1.00 0.00 C ATOM 945 C GLY A 60 -3.004 9.140 -7.663 1.00 0.00 C ATOM 946 O GLY A 60 -3.719 8.141 -7.594 1.00 0.00 O ATOM 0 H GLY A 60 -2.208 12.082 -7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.309 10.424 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.069 10.910 -8.222 1.00 0.00 H new ATOM 950 N ALA A 61 -1.724 9.090 -8.015 1.00 0.00 N ATOM 951 CA ALA A 61 -1.071 7.830 -8.347 1.00 0.00 C ATOM 952 C ALA A 61 -0.969 6.925 -7.124 1.00 0.00 C ATOM 953 O ALA A 61 -0.992 5.700 -7.243 1.00 0.00 O ATOM 954 CB ALA A 61 0.310 8.088 -8.931 1.00 0.00 C ATOM 0 H ALA A 61 -1.118 9.908 -8.078 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.680 7.321 -9.094 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.786 7.138 -9.174 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.216 8.689 -9.836 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.919 8.623 -8.202 1.00 0.00 H new ATOM 960 N ALA A 62 -0.858 7.536 -5.950 1.00 0.00 N ATOM 961 CA ALA A 62 -0.754 6.785 -4.705 1.00 0.00 C ATOM 962 C ALA A 62 -2.132 6.370 -4.198 1.00 0.00 C ATOM 963 O ALA A 62 -2.357 5.206 -3.866 1.00 0.00 O ATOM 964 CB ALA A 62 -0.028 7.608 -3.651 1.00 0.00 C ATOM 0 H ALA A 62 -0.838 8.549 -5.834 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.180 5.880 -4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.042 7.035 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.974 7.850 -4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.580 8.530 -3.465 1.00 0.00 H new ATOM 970 N VAL A 63 -3.050 7.328 -4.142 1.00 0.00 N ATOM 971 CA VAL A 63 -4.406 7.062 -3.676 1.00 0.00 C ATOM 972 C VAL A 63 -5.091 6.015 -4.549 1.00 0.00 C ATOM 973 O VAL A 63 -5.592 5.008 -4.052 1.00 0.00 O ATOM 974 CB VAL A 63 -5.258 8.344 -3.666 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.674 8.041 -3.197 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.614 9.406 -2.788 1.00 0.00 C ATOM 0 H VAL A 63 -2.880 8.296 -4.414 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.322 6.683 -2.657 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.312 8.730 -4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.261 8.959 -3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.133 7.317 -3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.643 7.630 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.230 10.305 -2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.527 9.031 -1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.622 9.644 -3.173 1.00 0.00 H new ATOM 986 N LYS A 64 -5.109 6.262 -5.855 1.00 0.00 N ATOM 987 CA LYS A 64 -5.731 5.342 -6.799 1.00 0.00 C ATOM 988 C LYS A 64 -5.138 3.944 -6.666 1.00 0.00 C ATOM 989 O LYS A 64 -5.815 2.946 -6.912 1.00 0.00 O ATOM 990 CB LYS A 64 -5.550 5.851 -8.232 1.00 0.00 C ATOM 991 CG LYS A 64 -6.232 4.983 -9.275 1.00 0.00 C ATOM 992 CD LYS A 64 -5.294 4.650 -10.423 1.00 0.00 C ATOM 993 CE LYS A 64 -5.922 3.655 -11.386 1.00 0.00 C ATOM 994 NZ LYS A 64 -5.453 3.862 -12.784 1.00 0.00 N ATOM 0 H LYS A 64 -4.700 7.092 -6.283 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.795 5.289 -6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.944 6.865 -8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.485 5.907 -8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.581 4.061 -8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.111 5.499 -9.660 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.035 5.563 -10.959 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.365 4.239 -10.028 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.680 2.641 -11.069 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.007 3.750 -11.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.905 3.164 -13.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.706 4.821 -13.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.420 3.746 -12.824 1.00 0.00 H new ATOM 1008 N ALA A 65 -3.869 3.878 -6.276 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.186 2.601 -6.107 1.00 0.00 C ATOM 1010 C ALA A 65 -3.586 1.934 -4.796 1.00 0.00 C ATOM 1011 O ALA A 65 -4.133 0.830 -4.792 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.678 2.798 -6.163 1.00 0.00 C ATOM 0 H ALA A 65 -3.293 4.694 -6.071 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.486 1.945 -6.924 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.180 1.837 -6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.402 3.224 -7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.370 3.475 -5.366 1.00 0.00 H new ATOM 1018 N MET A 66 -3.310 2.609 -3.685 1.00 0.00 N ATOM 1019 CA MET A 66 -3.643 2.080 -2.368 1.00 0.00 C ATOM 1020 C MET A 66 -5.128 1.743 -2.276 1.00 0.00 C ATOM 1021 O MET A 66 -5.531 0.883 -1.493 1.00 0.00 O ATOM 1022 CB MET A 66 -3.269 3.089 -1.280 1.00 0.00 C ATOM 1023 CG MET A 66 -3.773 2.707 0.102 1.00 0.00 C ATOM 1024 SD MET A 66 -5.321 3.531 0.528 1.00 0.00 S ATOM 1025 CE MET A 66 -4.757 5.215 0.754 1.00 0.00 C ATOM 0 H MET A 66 -2.857 3.523 -3.671 1.00 0.00 H new ATOM 0 HA MET A 66 -3.071 1.164 -2.217 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.184 3.190 -1.247 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.672 4.066 -1.548 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.916 1.627 0.147 1.00 0.00 H new ATOM 0 HG3 MET A 66 -3.015 2.959 0.844 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.449 5.746 1.407 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.765 5.209 1.205 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.713 5.717 -0.213 1.00 0.00 H new ATOM 1035 N ASP A 67 -5.935 2.426 -3.080 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.376 2.199 -3.089 1.00 0.00 C ATOM 1037 C ASP A 67 -7.695 0.757 -3.474 1.00 0.00 C ATOM 1038 O ASP A 67 -8.580 0.131 -2.892 1.00 0.00 O ATOM 1039 CB ASP A 67 -8.059 3.162 -4.060 1.00 0.00 C ATOM 1040 CG ASP A 67 -8.772 4.294 -3.346 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -8.082 5.208 -2.846 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -10.019 4.267 -3.288 1.00 0.00 O ATOM 0 H ASP A 67 -5.616 3.141 -3.734 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.755 2.381 -2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.315 3.577 -4.740 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.776 2.612 -4.669 1.00 0.00 H new ATOM 1047 N GLU A 68 -6.970 0.238 -4.460 1.00 0.00 N ATOM 1048 CA GLU A 68 -7.179 -1.128 -4.924 1.00 0.00 C ATOM 1049 C GLU A 68 -6.259 -2.099 -4.188 1.00 0.00 C ATOM 1050 O GLU A 68 -6.700 -3.139 -3.699 1.00 0.00 O ATOM 1051 CB GLU A 68 -6.936 -1.222 -6.431 1.00 0.00 C ATOM 1052 CG GLU A 68 -7.590 -0.103 -7.224 1.00 0.00 C ATOM 1053 CD GLU A 68 -8.389 -0.616 -8.406 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -7.779 -1.199 -9.327 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -9.625 -0.435 -8.411 1.00 0.00 O ATOM 0 H GLU A 68 -6.233 0.743 -4.952 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.213 -1.402 -4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.862 -1.210 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.312 -2.179 -6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.246 0.468 -6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.821 0.583 -7.580 1.00 0.00 H new ATOM 1062 N MET A 69 -4.978 -1.751 -4.114 1.00 0.00 N ATOM 1063 CA MET A 69 -3.997 -2.590 -3.436 1.00 0.00 C ATOM 1064 C MET A 69 -4.461 -2.941 -2.027 1.00 0.00 C ATOM 1065 O MET A 69 -4.162 -4.020 -1.515 1.00 0.00 O ATOM 1066 CB MET A 69 -2.642 -1.881 -3.379 1.00 0.00 C ATOM 1067 CG MET A 69 -1.983 -1.719 -4.739 1.00 0.00 C ATOM 1068 SD MET A 69 -1.503 -3.295 -5.471 1.00 0.00 S ATOM 1069 CE MET A 69 -0.271 -3.853 -4.296 1.00 0.00 C ATOM 0 H MET A 69 -4.596 -0.895 -4.515 1.00 0.00 H new ATOM 0 HA MET A 69 -3.892 -3.514 -4.004 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.775 -0.897 -2.929 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.974 -2.443 -2.726 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.669 -1.204 -5.412 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.101 -1.086 -4.638 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.575 -4.282 -4.832 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.070 -3.008 -3.697 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.707 -4.608 -3.642 1.00 0.00 H new ATOM 1079 N ASN A 70 -5.192 -2.023 -1.404 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.697 -2.235 -0.051 1.00 0.00 C ATOM 1081 C ASN A 70 -6.465 -3.550 0.041 1.00 0.00 C ATOM 1082 O ASN A 70 -7.572 -3.674 -0.480 1.00 0.00 O ATOM 1083 CB ASN A 70 -6.601 -1.074 0.367 1.00 0.00 C ATOM 1084 CG ASN A 70 -7.473 -1.420 1.557 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -8.600 -1.889 1.399 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -6.955 -1.189 2.758 1.00 0.00 N ATOM 0 H ASN A 70 -5.448 -1.125 -1.814 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.844 -2.283 0.626 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.986 -0.208 0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.234 -0.789 -0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.496 -1.402 3.596 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.016 -0.799 2.842 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.867 -4.532 0.712 1.00 0.00 N ATOM 1094 CA GLY A 71 -6.509 -5.825 0.861 1.00 0.00 C ATOM 1095 C GLY A 71 -6.156 -6.781 -0.261 1.00 0.00 C ATOM 1096 O GLY A 71 -7.024 -7.477 -0.789 1.00 0.00 O ATOM 0 H GLY A 71 -4.951 -4.454 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.216 -6.265 1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.590 -5.689 0.891 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.881 -6.815 -0.629 1.00 0.00 N ATOM 1101 CA LYS A 72 -4.415 -7.692 -1.696 1.00 0.00 C ATOM 1102 C LYS A 72 -3.538 -8.808 -1.139 1.00 0.00 C ATOM 1103 O LYS A 72 -3.092 -8.746 0.006 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.634 -6.888 -2.740 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.493 -6.382 -3.886 1.00 0.00 C ATOM 1106 CD LYS A 72 -4.954 -7.520 -4.780 1.00 0.00 C ATOM 1107 CE LYS A 72 -4.032 -7.699 -5.976 1.00 0.00 C ATOM 1108 NZ LYS A 72 -4.442 -8.850 -6.827 1.00 0.00 N ATOM 0 H LYS A 72 -4.150 -6.244 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.287 -8.142 -2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.159 -6.038 -2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.836 -7.511 -3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.361 -5.857 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.927 -5.661 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.988 -8.445 -4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.968 -7.323 -5.128 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.032 -6.788 -6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.011 -7.851 -5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.788 -8.938 -7.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.418 -9.724 -6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.407 -8.693 -7.181 1.00 0.00 H new ATOM 1122 N GLU A 73 -3.295 -9.828 -1.957 1.00 0.00 N ATOM 1123 CA GLU A 73 -2.472 -10.958 -1.545 1.00 0.00 C ATOM 1124 C GLU A 73 -1.233 -11.079 -2.427 1.00 0.00 C ATOM 1125 O GLU A 73 -1.317 -11.515 -3.576 1.00 0.00 O ATOM 1126 CB GLU A 73 -3.281 -12.255 -1.602 1.00 0.00 C ATOM 1127 CG GLU A 73 -2.443 -13.505 -1.384 1.00 0.00 C ATOM 1128 CD GLU A 73 -3.266 -14.777 -1.456 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -4.472 -14.687 -1.766 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -2.702 -15.862 -1.203 1.00 0.00 O ATOM 0 H GLU A 73 -3.657 -9.894 -2.908 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.150 -10.784 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.066 -12.217 -0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.775 -12.323 -2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.653 -13.544 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.955 -13.446 -0.411 1.00 0.00 H new ATOM 1137 N ILE A 74 -0.084 -10.690 -1.883 1.00 0.00 N ATOM 1138 CA ILE A 74 1.171 -10.756 -2.620 1.00 0.00 C ATOM 1139 C ILE A 74 2.056 -11.882 -2.098 1.00 0.00 C ATOM 1140 O ILE A 74 2.313 -11.979 -0.898 1.00 0.00 O ATOM 1141 CB ILE A 74 1.945 -9.427 -2.533 1.00 0.00 C ATOM 1142 CG1 ILE A 74 1.061 -8.266 -2.993 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.214 -9.498 -3.369 1.00 0.00 C ATOM 1144 CD1 ILE A 74 1.658 -6.905 -2.715 1.00 0.00 C ATOM 0 H ILE A 74 0.003 -10.326 -0.934 1.00 0.00 H new ATOM 0 HA ILE A 74 0.916 -10.951 -3.662 1.00 0.00 H new ATOM 0 HB ILE A 74 2.227 -9.254 -1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.878 -8.362 -4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.093 -8.338 -2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.750 -8.552 -3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.849 -10.303 -2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.954 -9.690 -4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.977 -6.130 -3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.816 -6.789 -1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.612 -6.813 -3.234 1.00 0.00 H new ATOM 1156 N GLU A 75 2.524 -12.730 -3.008 1.00 0.00 N ATOM 1157 CA GLU A 75 3.383 -13.850 -2.639 1.00 0.00 C ATOM 1158 C GLU A 75 2.732 -14.699 -1.550 1.00 0.00 C ATOM 1159 O GLU A 75 3.413 -15.246 -0.684 1.00 0.00 O ATOM 1160 CB GLU A 75 4.743 -13.341 -2.159 1.00 0.00 C ATOM 1161 CG GLU A 75 5.920 -14.087 -2.764 1.00 0.00 C ATOM 1162 CD GLU A 75 6.105 -13.787 -4.239 1.00 0.00 C ATOM 1163 OE1 GLU A 75 5.205 -13.155 -4.832 1.00 0.00 O ATOM 1164 OE2 GLU A 75 7.146 -14.183 -4.801 1.00 0.00 O ATOM 0 H GLU A 75 2.323 -12.663 -4.006 1.00 0.00 H new ATOM 0 HA GLU A 75 3.527 -14.471 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.831 -12.282 -2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.790 -13.424 -1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.830 -13.820 -2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.773 -15.159 -2.631 1.00 0.00 H new ATOM 1171 N GLY A 76 1.407 -14.803 -1.602 1.00 0.00 N ATOM 1172 CA GLY A 76 0.686 -15.586 -0.616 1.00 0.00 C ATOM 1173 C GLY A 76 0.827 -15.024 0.786 1.00 0.00 C ATOM 1174 O GLY A 76 0.642 -15.740 1.770 1.00 0.00 O ATOM 0 H GLY A 76 0.821 -14.359 -2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.370 -15.621 -0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.054 -16.612 -0.632 1.00 0.00 H new ATOM 1178 N GLU A 77 1.156 -13.740 0.876 1.00 0.00 N ATOM 1179 CA GLU A 77 1.324 -13.084 2.168 1.00 0.00 C ATOM 1180 C GLU A 77 0.338 -11.929 2.324 1.00 0.00 C ATOM 1181 O GLU A 77 0.212 -11.085 1.438 1.00 0.00 O ATOM 1182 CB GLU A 77 2.757 -12.571 2.322 1.00 0.00 C ATOM 1183 CG GLU A 77 3.769 -13.668 2.608 1.00 0.00 C ATOM 1184 CD GLU A 77 4.000 -13.877 4.091 1.00 0.00 C ATOM 1185 OE1 GLU A 77 3.114 -13.506 4.889 1.00 0.00 O ATOM 1186 OE2 GLU A 77 5.069 -14.412 4.455 1.00 0.00 O ATOM 0 H GLU A 77 1.312 -13.133 0.071 1.00 0.00 H new ATOM 0 HA GLU A 77 1.123 -13.818 2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.047 -12.049 1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.787 -11.840 3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.423 -14.601 2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.715 -13.418 2.129 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.356 -11.899 3.458 1.00 0.00 N ATOM 1194 CA GLU A 78 -1.330 -10.849 3.729 1.00 0.00 C ATOM 1195 C GLU A 78 -0.640 -9.499 3.900 1.00 0.00 C ATOM 1196 O GLU A 78 -0.146 -9.177 4.981 1.00 0.00 O ATOM 1197 CB GLU A 78 -2.139 -11.185 4.983 1.00 0.00 C ATOM 1198 CG GLU A 78 -3.060 -12.381 4.812 1.00 0.00 C ATOM 1199 CD GLU A 78 -4.475 -12.099 5.278 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -4.637 -11.568 6.398 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -5.421 -12.410 4.525 1.00 0.00 O ATOM 0 H GLU A 78 -0.261 -12.589 4.203 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.006 -10.786 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.452 -11.381 5.806 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.734 -10.316 5.264 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.079 -12.673 3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.659 -13.226 5.371 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.613 -8.715 2.828 1.00 0.00 N ATOM 1209 CA ILE A 79 0.015 -7.400 2.860 1.00 0.00 C ATOM 1210 C ILE A 79 -0.961 -6.337 3.353 1.00 0.00 C ATOM 1211 O ILE A 79 -2.149 -6.374 3.033 1.00 0.00 O ATOM 1212 CB ILE A 79 0.540 -6.992 1.471 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.601 -6.988 0.452 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.649 -7.934 1.027 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -0.866 -5.627 -0.153 1.00 0.00 C ATOM 0 H ILE A 79 -1.019 -8.967 1.927 1.00 0.00 H new ATOM 0 HA ILE A 79 0.855 -7.469 3.551 1.00 0.00 H new ATOM 0 HB ILE A 79 0.949 -5.984 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.367 -7.692 -0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.510 -7.345 0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.010 -7.633 0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.470 -7.893 1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.263 -8.952 0.976 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.687 -5.699 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.132 -4.924 0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.030 -5.276 -0.666 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.451 -5.389 4.133 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.278 -4.314 4.671 1.00 0.00 C ATOM 1229 C GLU A 80 -0.899 -2.974 4.048 1.00 0.00 C ATOM 1230 O GLU A 80 0.228 -2.788 3.587 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.135 -4.242 6.192 1.00 0.00 C ATOM 1232 CG GLU A 80 -2.335 -4.792 6.944 1.00 0.00 C ATOM 1233 CD GLU A 80 -1.942 -5.560 8.190 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -1.321 -4.954 9.088 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -2.256 -6.766 8.268 1.00 0.00 O ATOM 0 H GLU A 80 0.531 -5.343 4.407 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.317 -4.530 4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.245 -4.795 6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.978 -3.204 6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.993 -3.969 7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.904 -5.446 6.283 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.848 -2.043 4.040 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.613 -0.720 3.475 1.00 0.00 C ATOM 1244 C ILE A 81 -2.310 0.359 4.298 1.00 0.00 C ATOM 1245 O ILE A 81 -3.460 0.199 4.704 1.00 0.00 O ATOM 1246 CB ILE A 81 -2.102 -0.635 2.017 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.576 -1.824 1.210 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.662 0.677 1.386 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -2.063 -1.845 -0.222 1.00 0.00 C ATOM 0 H ILE A 81 -2.785 -2.181 4.418 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.536 -0.553 3.498 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.191 -0.670 2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.486 -1.802 1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.878 -2.749 1.702 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.015 0.722 0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -2.081 1.510 1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.574 0.740 1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.651 -2.715 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.152 -1.898 -0.235 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.738 -0.937 -0.730 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.605 1.461 4.537 1.00 0.00 N ATOM 1262 CA VAL A 82 -2.156 2.569 5.307 1.00 0.00 C ATOM 1263 C VAL A 82 -1.568 3.900 4.854 1.00 0.00 C ATOM 1264 O VAL A 82 -0.473 3.948 4.290 1.00 0.00 O ATOM 1265 CB VAL A 82 -1.893 2.390 6.814 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.507 1.091 7.313 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.400 2.429 7.102 1.00 0.00 C ATOM 0 H VAL A 82 -0.651 1.609 4.208 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.232 2.573 5.131 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.365 3.215 7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.311 0.982 8.380 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.583 1.108 7.142 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.067 0.251 6.776 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.232 2.301 8.171 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.097 1.625 6.558 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.007 3.389 6.783 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.301 4.979 5.102 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.852 6.314 4.720 1.00 0.00 C ATOM 1279 C LEU A 83 -0.734 6.797 5.639 1.00 0.00 C ATOM 1280 O LEU A 83 -0.890 6.825 6.859 1.00 0.00 O ATOM 1281 CB LEU A 83 -3.021 7.299 4.760 1.00 0.00 C ATOM 1282 CG LEU A 83 -3.767 7.510 3.442 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -5.042 8.306 3.671 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -2.872 8.210 2.429 1.00 0.00 C ATOM 0 H LEU A 83 -3.209 4.956 5.566 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.464 6.262 3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.735 6.954 5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.645 8.264 5.100 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.041 6.534 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.559 8.446 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.690 7.765 4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.792 9.279 4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.419 8.352 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.567 9.180 2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.988 7.600 2.242 1.00 0.00 H new ATOM 1296 N ALA A 84 0.392 7.177 5.044 1.00 0.00 N ATOM 1297 CA ALA A 84 1.534 7.663 5.809 1.00 0.00 C ATOM 1298 C ALA A 84 1.433 9.166 6.053 1.00 0.00 C ATOM 1299 O ALA A 84 1.724 9.969 5.168 1.00 0.00 O ATOM 1300 CB ALA A 84 2.832 7.330 5.090 1.00 0.00 C ATOM 0 H ALA A 84 0.538 7.158 4.035 1.00 0.00 H new ATOM 0 HA ALA A 84 1.529 7.163 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.676 7.699 5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.916 6.250 4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.835 7.802 4.108 1.00 0.00 H new