USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 498 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 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 26:sc= 0.667 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -170:sc= -0.0384 USER MOD Single : A 40 MET CE :methyl 161:sc= -0.165 (180deg=-0.722) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -11:sc= 0.146 USER MOD Single : A 47 THR OG1 : rot 132:sc= 1.22 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.0406 F(o=-1.2!,f=-0.041) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 67 LYS NZ :NH3+ -139:sc= 1.3 (180deg=1.13) USER MOD Single : A 71 THR OG1 : rot -173:sc= 1.28 USER MOD Single : A 72 ASN : amide:sc= -0.199 X(o=-0.2,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= -0.0173 (180deg=-0.189) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N ALA A 22 -14.799 13.648 -4.465 1.00 0.00 N ATOM 225 CA ALA A 22 -15.261 14.317 -5.661 1.00 0.00 C ATOM 226 C ALA A 22 -16.458 13.593 -6.229 1.00 0.00 C ATOM 227 O ALA A 22 -16.598 12.373 -6.045 1.00 0.00 O ATOM 228 CB ALA A 22 -14.144 14.402 -6.686 1.00 0.00 C ATOM 0 HA ALA A 22 -15.562 15.333 -5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.508 14.908 -7.580 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.308 14.962 -6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.813 13.397 -6.948 1.00 0.00 H new ATOM 234 N ARG A 23 -17.315 14.319 -6.897 1.00 0.00 N ATOM 235 CA ARG A 23 -18.506 13.740 -7.475 1.00 0.00 C ATOM 236 C ARG A 23 -18.537 13.897 -8.962 1.00 0.00 C ATOM 237 O ARG A 23 -19.347 13.274 -9.631 1.00 0.00 O ATOM 238 CB ARG A 23 -19.778 14.309 -6.874 1.00 0.00 C ATOM 239 CG ARG A 23 -20.045 13.857 -5.468 1.00 0.00 C ATOM 240 CD ARG A 23 -21.355 14.408 -4.978 1.00 0.00 C ATOM 241 NE ARG A 23 -21.715 13.869 -3.674 1.00 0.00 N ATOM 242 CZ ARG A 23 -22.152 14.594 -2.647 1.00 0.00 C ATOM 243 NH1 ARG A 23 -22.096 15.926 -2.696 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -22.586 13.991 -1.545 1.00 0.00 N ATOM 0 H ARG A 23 -17.212 15.321 -7.057 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.464 12.677 -7.236 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -19.720 15.397 -6.890 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.623 14.026 -7.502 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.064 12.768 -5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -19.238 14.187 -4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.292 15.495 -4.917 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -22.140 14.174 -5.697 1.00 0.00 H new ATOM 0 HE ARG A 23 -21.626 12.862 -3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -21.718 16.391 -3.522 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -22.431 16.480 -1.908 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -22.584 12.973 -1.486 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -22.921 14.547 -0.758 1.00 0.00 H new ATOM 258 N PHE A 24 -17.702 14.747 -9.484 1.00 0.00 N ATOM 259 CA PHE A 24 -17.605 14.927 -10.913 1.00 0.00 C ATOM 260 C PHE A 24 -16.143 15.008 -11.299 1.00 0.00 C ATOM 261 O PHE A 24 -15.277 15.076 -10.440 1.00 0.00 O ATOM 262 CB PHE A 24 -18.348 16.214 -11.404 1.00 0.00 C ATOM 263 CG PHE A 24 -19.845 16.258 -11.184 1.00 0.00 C ATOM 264 CD1 PHE A 24 -20.379 16.552 -9.936 1.00 0.00 C ATOM 265 CD2 PHE A 24 -20.712 16.034 -12.233 1.00 0.00 C ATOM 266 CE1 PHE A 24 -21.743 16.612 -9.746 1.00 0.00 C ATOM 267 CE2 PHE A 24 -22.078 16.091 -12.048 1.00 0.00 C ATOM 268 CZ PHE A 24 -22.595 16.379 -10.804 1.00 0.00 C ATOM 0 H PHE A 24 -17.070 15.334 -8.940 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.086 14.074 -11.391 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.905 17.075 -10.904 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.157 16.332 -12.471 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -19.717 16.736 -9.103 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -20.316 15.811 -13.213 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -22.143 16.841 -8.770 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -22.743 15.910 -12.880 1.00 0.00 H new ATOM 0 HZ PHE A 24 -23.664 16.422 -10.658 1.00 0.00 H new ATOM 278 N CYS A 25 -15.879 14.934 -12.558 1.00 0.00 N ATOM 279 CA CYS A 25 -14.586 15.162 -13.097 1.00 0.00 C ATOM 280 C CYS A 25 -14.732 16.170 -14.227 1.00 0.00 C ATOM 281 O CYS A 25 -15.698 16.110 -15.011 1.00 0.00 O ATOM 282 CB CYS A 25 -13.956 13.865 -13.622 1.00 0.00 C ATOM 283 SG CYS A 25 -13.521 12.610 -12.359 1.00 0.00 S ATOM 0 H CYS A 25 -16.581 14.706 -13.262 1.00 0.00 H new ATOM 0 HA CYS A 25 -13.926 15.542 -12.317 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.647 13.411 -14.333 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.053 14.122 -14.175 1.00 0.00 H new ATOM 288 N VAL A 26 -13.831 17.101 -14.270 1.00 0.00 N ATOM 289 CA VAL A 26 -13.803 18.162 -15.259 1.00 0.00 C ATOM 290 C VAL A 26 -12.836 17.756 -16.355 1.00 0.00 C ATOM 291 O VAL A 26 -11.651 17.571 -16.090 1.00 0.00 O ATOM 292 CB VAL A 26 -13.287 19.467 -14.605 1.00 0.00 C ATOM 293 CG1 VAL A 26 -13.409 20.645 -15.530 1.00 0.00 C ATOM 294 CG2 VAL A 26 -13.977 19.742 -13.283 1.00 0.00 C ATOM 0 H VAL A 26 -13.064 17.156 -13.600 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.803 18.326 -15.660 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.226 19.318 -14.402 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.036 21.539 -15.031 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.825 20.462 -16.432 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.455 20.790 -15.799 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.588 20.666 -12.855 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.050 19.841 -13.446 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.789 18.917 -12.596 1.00 0.00 H new ATOM 304 N TYR A 27 -13.340 17.584 -17.554 1.00 0.00 N ATOM 305 CA TYR A 27 -12.521 17.155 -18.673 1.00 0.00 C ATOM 306 C TYR A 27 -12.084 18.320 -19.519 1.00 0.00 C ATOM 307 O TYR A 27 -12.845 19.286 -19.718 1.00 0.00 O ATOM 308 CB TYR A 27 -13.250 16.123 -19.539 1.00 0.00 C ATOM 309 CG TYR A 27 -13.504 14.815 -18.828 1.00 0.00 C ATOM 310 CD1 TYR A 27 -14.498 14.700 -17.869 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.734 13.702 -19.105 1.00 0.00 C ATOM 312 CE1 TYR A 27 -14.715 13.515 -17.210 1.00 0.00 C ATOM 313 CE2 TYR A 27 -12.947 12.512 -18.447 1.00 0.00 C ATOM 314 CZ TYR A 27 -13.937 12.424 -17.500 1.00 0.00 C ATOM 315 OH TYR A 27 -14.151 11.238 -16.839 1.00 0.00 O ATOM 0 H TYR A 27 -14.322 17.735 -17.785 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.633 16.686 -18.250 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.202 16.541 -19.865 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.661 15.932 -20.436 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -15.112 15.557 -17.636 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.954 13.767 -19.849 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.495 13.443 -16.467 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.337 11.650 -18.675 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.516 10.564 -17.162 1.00 0.00 H new ATOM 325 N TYR A 28 -10.872 18.234 -20.005 1.00 0.00 N ATOM 326 CA TYR A 28 -10.282 19.252 -20.840 1.00 0.00 C ATOM 327 C TYR A 28 -9.629 18.635 -22.055 1.00 0.00 C ATOM 328 O TYR A 28 -9.163 17.477 -22.016 1.00 0.00 O ATOM 329 CB TYR A 28 -9.176 20.017 -20.113 1.00 0.00 C ATOM 330 CG TYR A 28 -9.559 20.794 -18.891 1.00 0.00 C ATOM 331 CD1 TYR A 28 -9.517 20.208 -17.645 1.00 0.00 C ATOM 332 CD2 TYR A 28 -9.915 22.128 -18.979 1.00 0.00 C ATOM 333 CE1 TYR A 28 -9.826 20.921 -16.523 1.00 0.00 C ATOM 334 CE2 TYR A 28 -10.218 22.854 -17.852 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.170 22.240 -16.625 1.00 0.00 C ATOM 336 OH TYR A 28 -10.466 22.949 -15.493 1.00 0.00 O ATOM 0 H TYR A 28 -10.256 17.441 -19.829 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.097 19.922 -21.113 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.404 19.302 -19.828 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.723 20.709 -20.823 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.235 19.169 -17.555 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.955 22.606 -19.947 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.799 20.443 -15.555 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.491 23.896 -17.931 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.010 22.545 -14.725 1.00 0.00 H new ATOM 346 N ASP A 29 -9.611 19.411 -23.110 1.00 0.00 N ATOM 347 CA ASP A 29 -8.870 19.127 -24.314 1.00 0.00 C ATOM 348 C ASP A 29 -7.478 19.661 -24.075 1.00 0.00 C ATOM 349 O ASP A 29 -7.264 20.879 -24.081 1.00 0.00 O ATOM 350 CB ASP A 29 -9.494 19.857 -25.518 1.00 0.00 C ATOM 351 CG ASP A 29 -8.725 19.677 -26.823 1.00 0.00 C ATOM 352 OD1 ASP A 29 -7.606 20.214 -26.965 1.00 0.00 O ATOM 353 OD2 ASP A 29 -9.253 19.052 -27.767 1.00 0.00 O1- ATOM 0 H ASP A 29 -10.130 20.288 -23.156 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.873 18.060 -24.534 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.514 19.499 -25.658 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.558 20.921 -25.291 1.00 0.00 H new ATOM 358 N GLY A 30 -6.580 18.790 -23.786 1.00 0.00 N ATOM 359 CA GLY A 30 -5.242 19.164 -23.463 1.00 0.00 C ATOM 360 C GLY A 30 -5.041 19.066 -21.980 1.00 0.00 C ATOM 361 O GLY A 30 -5.951 19.359 -21.200 1.00 0.00 O ATOM 0 H GLY A 30 -6.751 17.785 -23.766 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.536 18.514 -23.980 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.045 20.181 -23.801 1.00 0.00 H new ATOM 365 N HIS A 31 -3.876 18.684 -21.581 1.00 0.00 N ATOM 366 CA HIS A 31 -3.604 18.485 -20.167 1.00 0.00 C ATOM 367 C HIS A 31 -2.679 19.572 -19.649 1.00 0.00 C ATOM 368 O HIS A 31 -2.231 19.540 -18.507 1.00 0.00 O ATOM 369 CB HIS A 31 -3.027 17.066 -19.893 1.00 0.00 C ATOM 370 CG HIS A 31 -1.620 16.813 -20.372 1.00 0.00 C ATOM 371 ND1 HIS A 31 -1.291 16.273 -21.594 1.00 0.00 N ATOM 372 CD2 HIS A 31 -0.449 17.018 -19.729 1.00 0.00 C ATOM 373 CE1 HIS A 31 0.034 16.167 -21.654 1.00 0.00 C ATOM 374 NE2 HIS A 31 0.602 16.607 -20.536 1.00 0.00 N ATOM 0 H HIS A 31 -3.086 18.499 -22.200 1.00 0.00 H new ATOM 0 HA HIS A 31 -4.547 18.555 -19.625 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -3.060 16.885 -18.819 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -3.685 16.333 -20.361 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.347 17.437 -18.739 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.577 15.775 -22.501 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.598 16.636 -20.318 1.00 0.00 H new ATOM 382 N LEU A 32 -2.419 20.529 -20.477 1.00 0.00 N ATOM 383 CA LEU A 32 -1.516 21.585 -20.144 1.00 0.00 C ATOM 384 C LEU A 32 -2.345 22.841 -19.854 1.00 0.00 C ATOM 385 O LEU A 32 -3.115 23.257 -20.702 1.00 0.00 O ATOM 386 CB LEU A 32 -0.565 21.807 -21.321 1.00 0.00 C ATOM 387 CG LEU A 32 0.643 22.683 -21.060 1.00 0.00 C ATOM 388 CD1 LEU A 32 1.594 22.014 -20.068 1.00 0.00 C ATOM 389 CD2 LEU A 32 1.361 22.992 -22.354 1.00 0.00 C ATOM 0 H LEU A 32 -2.828 20.603 -21.409 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.920 21.341 -19.264 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.213 20.834 -21.663 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.134 22.246 -22.141 1.00 0.00 H new ATOM 0 HG LEU A 32 0.297 23.619 -20.622 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.454 22.661 -19.896 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.075 21.842 -19.125 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.933 21.061 -20.475 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.226 23.622 -22.148 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.691 22.063 -22.818 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.684 23.514 -23.030 1.00 0.00 H new ATOM 401 N PRO A 33 -2.196 23.440 -18.646 1.00 0.00 N ATOM 402 CA PRO A 33 -3.012 24.581 -18.164 1.00 0.00 C ATOM 403 C PRO A 33 -3.285 25.682 -19.195 1.00 0.00 C ATOM 404 O PRO A 33 -4.405 26.166 -19.301 1.00 0.00 O ATOM 405 CB PRO A 33 -2.225 25.155 -16.990 1.00 0.00 C ATOM 406 CG PRO A 33 -1.090 24.220 -16.722 1.00 0.00 C ATOM 407 CD PRO A 33 -1.214 23.033 -17.635 1.00 0.00 C ATOM 0 HA PRO A 33 -4.007 24.217 -17.909 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.855 26.153 -17.226 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.861 25.251 -16.110 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.138 24.725 -16.887 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.104 23.898 -15.681 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.256 22.783 -18.092 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.548 22.149 -17.092 1.00 0.00 H new ATOM 415 N ALA A 34 -2.283 26.061 -19.939 1.00 0.00 N ATOM 416 CA ALA A 34 -2.435 27.121 -20.926 1.00 0.00 C ATOM 417 C ALA A 34 -3.209 26.665 -22.165 1.00 0.00 C ATOM 418 O ALA A 34 -4.011 27.421 -22.712 1.00 0.00 O ATOM 419 CB ALA A 34 -1.083 27.681 -21.327 1.00 0.00 C ATOM 0 H ALA A 34 -1.347 25.658 -19.889 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.022 27.908 -20.451 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.221 28.471 -22.065 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.583 28.088 -20.448 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.473 26.886 -21.756 1.00 0.00 H new ATOM 425 N THR A 35 -3.016 25.438 -22.558 1.00 0.00 N ATOM 426 CA THR A 35 -3.553 24.936 -23.806 1.00 0.00 C ATOM 427 C THR A 35 -4.892 24.177 -23.610 1.00 0.00 C ATOM 428 O THR A 35 -5.652 23.969 -24.569 1.00 0.00 O ATOM 429 CB THR A 35 -2.503 23.996 -24.425 1.00 0.00 C ATOM 430 OG1 THR A 35 -1.210 24.612 -24.255 1.00 0.00 O ATOM 431 CG2 THR A 35 -2.758 23.801 -25.912 1.00 0.00 C ATOM 0 H THR A 35 -2.482 24.751 -22.026 1.00 0.00 H new ATOM 0 HA THR A 35 -3.766 25.780 -24.462 1.00 0.00 H new ATOM 0 HB THR A 35 -2.553 23.023 -23.936 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.542 24.118 -24.774 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.003 23.133 -26.326 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.747 23.366 -26.058 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.708 24.764 -26.419 1.00 0.00 H new ATOM 439 N ARG A 36 -5.174 23.795 -22.383 1.00 0.00 N ATOM 440 CA ARG A 36 -6.352 23.005 -22.051 1.00 0.00 C ATOM 441 C ARG A 36 -7.653 23.788 -22.333 1.00 0.00 C ATOM 442 O ARG A 36 -7.777 24.975 -21.996 1.00 0.00 O ATOM 443 CB ARG A 36 -6.294 22.569 -20.572 1.00 0.00 C ATOM 444 CG ARG A 36 -6.416 23.733 -19.620 1.00 0.00 C ATOM 445 CD ARG A 36 -6.413 23.357 -18.159 1.00 0.00 C ATOM 446 NE ARG A 36 -6.499 24.586 -17.375 1.00 0.00 N ATOM 447 CZ ARG A 36 -6.554 24.706 -16.050 1.00 0.00 C ATOM 448 NH1 ARG A 36 -6.498 23.641 -15.260 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -6.672 25.913 -15.522 1.00 0.00 N ATOM 0 H ARG A 36 -4.591 24.023 -21.578 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.356 22.118 -22.685 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.096 21.857 -20.375 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.354 22.049 -20.387 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.593 24.423 -19.805 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.338 24.270 -19.841 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.254 22.701 -17.933 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.505 22.808 -17.909 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.519 25.457 -17.906 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.411 22.709 -15.666 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.542 23.754 -14.247 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.719 26.732 -16.128 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.716 26.024 -14.509 1.00 0.00 H new ATOM 463 N VAL A 37 -8.574 23.150 -22.987 1.00 0.00 N ATOM 464 CA VAL A 37 -9.877 23.735 -23.256 1.00 0.00 C ATOM 465 C VAL A 37 -10.910 22.944 -22.481 1.00 0.00 C ATOM 466 O VAL A 37 -10.921 21.730 -22.557 1.00 0.00 O ATOM 467 CB VAL A 37 -10.231 23.682 -24.774 1.00 0.00 C ATOM 468 CG1 VAL A 37 -11.579 24.346 -25.050 1.00 0.00 C ATOM 469 CG2 VAL A 37 -9.137 24.327 -25.617 1.00 0.00 C ATOM 0 H VAL A 37 -8.456 22.206 -23.355 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.863 24.782 -22.954 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.304 22.632 -25.056 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.799 24.294 -26.116 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.360 23.829 -24.493 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.541 25.390 -24.738 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.411 24.275 -26.671 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.019 25.370 -25.324 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.197 23.798 -25.460 1.00 0.00 H new ATOM 479 N LEU A 38 -11.738 23.613 -21.719 1.00 0.00 N ATOM 480 CA LEU A 38 -12.771 22.944 -20.934 1.00 0.00 C ATOM 481 C LEU A 38 -13.748 22.226 -21.859 1.00 0.00 C ATOM 482 O LEU A 38 -14.252 22.811 -22.818 1.00 0.00 O ATOM 483 CB LEU A 38 -13.486 23.989 -20.013 1.00 0.00 C ATOM 484 CG LEU A 38 -14.649 23.536 -19.079 1.00 0.00 C ATOM 485 CD1 LEU A 38 -15.960 23.323 -19.820 1.00 0.00 C ATOM 486 CD2 LEU A 38 -14.275 22.287 -18.326 1.00 0.00 C ATOM 0 H LEU A 38 -11.725 24.628 -21.618 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.321 22.187 -20.291 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.721 24.442 -19.382 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.876 24.777 -20.658 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.808 24.352 -18.374 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.730 23.009 -19.115 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.264 24.255 -20.297 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.828 22.553 -20.580 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.102 21.990 -17.681 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.061 21.486 -19.034 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.391 22.480 -17.718 1.00 0.00 H new ATOM 498 N LEU A 39 -13.993 20.964 -21.584 1.00 0.00 N ATOM 499 CA LEU A 39 -14.920 20.198 -22.370 1.00 0.00 C ATOM 500 C LEU A 39 -16.256 20.050 -21.661 1.00 0.00 C ATOM 501 O LEU A 39 -17.254 20.584 -22.136 1.00 0.00 O ATOM 502 CB LEU A 39 -14.341 18.830 -22.738 1.00 0.00 C ATOM 503 CG LEU A 39 -13.105 18.850 -23.643 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.586 17.446 -23.858 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.428 19.505 -24.982 1.00 0.00 C ATOM 0 H LEU A 39 -13.559 20.450 -20.818 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.093 20.747 -23.296 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.085 18.305 -21.817 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.120 18.248 -23.231 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.330 19.437 -23.150 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.708 17.477 -24.503 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.315 17.007 -22.898 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.360 16.840 -24.329 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.537 19.509 -25.610 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.220 18.945 -25.480 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.759 20.530 -24.815 1.00 0.00 H new ATOM 517 N MET A 40 -16.268 19.393 -20.491 1.00 0.00 N ATOM 518 CA MET A 40 -17.512 19.132 -19.760 1.00 0.00 C ATOM 519 C MET A 40 -17.238 18.471 -18.441 1.00 0.00 C ATOM 520 O MET A 40 -16.116 18.012 -18.179 1.00 0.00 O ATOM 521 CB MET A 40 -18.507 18.293 -20.585 1.00 0.00 C ATOM 522 CG MET A 40 -17.978 16.959 -21.026 1.00 0.00 C ATOM 523 SD MET A 40 -19.193 15.991 -21.930 1.00 0.00 S ATOM 524 CE MET A 40 -19.475 17.052 -23.338 1.00 0.00 C ATOM 0 H MET A 40 -15.430 19.034 -20.033 1.00 0.00 H new ATOM 0 HA MET A 40 -17.975 20.101 -19.574 1.00 0.00 H new ATOM 0 HB2 MET A 40 -19.408 18.135 -19.993 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.801 18.863 -21.466 1.00 0.00 H new ATOM 0 HG2 MET A 40 -17.101 17.111 -21.655 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.650 16.397 -20.152 1.00 0.00 H new ATOM 0 HE1 MET A 40 -19.926 16.474 -24.145 1.00 0.00 H new ATOM 0 HE2 MET A 40 -20.146 17.863 -23.054 1.00 0.00 H new ATOM 0 HE3 MET A 40 -18.526 17.468 -23.676 1.00 0.00 H new ATOM 534 N TYR A 41 -18.248 18.464 -17.618 1.00 0.00 N ATOM 535 CA TYR A 41 -18.206 17.897 -16.293 1.00 0.00 C ATOM 536 C TYR A 41 -19.019 16.597 -16.296 1.00 0.00 C ATOM 537 O TYR A 41 -20.181 16.586 -16.737 1.00 0.00 O ATOM 538 CB TYR A 41 -18.833 18.888 -15.292 1.00 0.00 C ATOM 539 CG TYR A 41 -18.216 20.291 -15.284 1.00 0.00 C ATOM 540 CD1 TYR A 41 -18.535 21.223 -16.272 1.00 0.00 C ATOM 541 CD2 TYR A 41 -17.334 20.684 -14.288 1.00 0.00 C ATOM 542 CE1 TYR A 41 -17.992 22.489 -16.271 1.00 0.00 C ATOM 543 CE2 TYR A 41 -16.784 21.962 -14.280 1.00 0.00 C ATOM 544 CZ TYR A 41 -17.118 22.857 -15.278 1.00 0.00 C ATOM 545 OH TYR A 41 -16.575 24.132 -15.282 1.00 0.00 O ATOM 0 H TYR A 41 -19.155 18.865 -17.856 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.175 17.696 -16.003 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -19.896 18.978 -15.513 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.751 18.467 -14.290 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -19.224 20.945 -17.056 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -17.070 19.987 -13.506 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -18.253 23.191 -17.050 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.099 22.253 -13.497 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.977 24.235 -14.512 1.00 0.00 H new ATOM 555 N VAL A 42 -18.420 15.522 -15.835 1.00 0.00 N ATOM 556 CA VAL A 42 -19.079 14.207 -15.810 1.00 0.00 C ATOM 557 C VAL A 42 -19.050 13.670 -14.398 1.00 0.00 C ATOM 558 O VAL A 42 -18.035 13.785 -13.732 1.00 0.00 O ATOM 559 CB VAL A 42 -18.357 13.192 -16.746 1.00 0.00 C ATOM 560 CG1 VAL A 42 -19.028 11.819 -16.721 1.00 0.00 C ATOM 561 CG2 VAL A 42 -18.272 13.725 -18.165 1.00 0.00 C ATOM 0 H VAL A 42 -17.469 15.519 -15.466 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.104 14.331 -16.159 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.343 13.067 -16.366 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.494 11.141 -17.387 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -19.007 11.422 -15.706 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -20.062 11.913 -17.052 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.764 12.997 -18.797 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -19.277 13.900 -18.549 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.714 14.661 -18.169 1.00 0.00 H new ATOM 571 N ARG A 43 -20.151 13.117 -13.947 1.00 0.00 N ATOM 572 CA ARG A 43 -20.265 12.583 -12.630 1.00 0.00 C ATOM 573 C ARG A 43 -19.517 11.280 -12.450 1.00 0.00 C ATOM 574 O ARG A 43 -19.535 10.396 -13.304 1.00 0.00 O ATOM 575 CB ARG A 43 -21.730 12.427 -12.228 1.00 0.00 C ATOM 576 CG ARG A 43 -21.928 11.655 -10.935 1.00 0.00 C ATOM 577 CD ARG A 43 -23.298 11.840 -10.392 1.00 0.00 C ATOM 578 NE ARG A 43 -24.352 11.441 -11.333 1.00 0.00 N ATOM 579 CZ ARG A 43 -25.454 10.730 -11.024 1.00 0.00 C ATOM 580 NH1 ARG A 43 -25.568 10.142 -9.843 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -26.416 10.590 -11.924 1.00 0.00 N ATOM 0 H ARG A 43 -21.002 13.029 -14.502 1.00 0.00 H new ATOM 0 HA ARG A 43 -19.792 13.306 -11.965 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.176 13.416 -12.123 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.266 11.919 -13.030 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -21.746 10.595 -11.112 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -21.196 11.985 -10.198 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -23.400 11.260 -9.475 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -23.437 12.887 -10.123 1.00 0.00 H new ATOM 0 HE ARG A 43 -24.240 11.727 -12.306 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -24.817 10.225 -9.157 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -26.406 9.606 -9.619 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -26.320 11.019 -12.844 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -27.253 10.053 -11.697 1.00 0.00 H new ATOM 595 N ILE A 44 -18.892 11.178 -11.318 1.00 0.00 N ATOM 596 CA ILE A 44 -18.196 10.005 -10.912 1.00 0.00 C ATOM 597 C ILE A 44 -19.243 8.979 -10.538 1.00 0.00 C ATOM 598 O ILE A 44 -19.955 9.117 -9.526 1.00 0.00 O ATOM 599 CB ILE A 44 -17.232 10.293 -9.728 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.173 11.313 -10.170 1.00 0.00 C ATOM 601 CG2 ILE A 44 -16.572 9.009 -9.230 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.196 11.710 -9.089 1.00 0.00 C ATOM 0 H ILE A 44 -18.853 11.933 -10.634 1.00 0.00 H new ATOM 0 HA ILE A 44 -17.568 9.634 -11.722 1.00 0.00 H new ATOM 0 HB ILE A 44 -17.806 10.707 -8.899 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.617 10.899 -11.011 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.678 12.208 -10.532 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.903 9.241 -8.401 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.340 8.313 -8.892 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.002 8.555 -10.040 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.485 12.433 -9.489 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.738 12.157 -8.255 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.659 10.827 -8.741 1.00 0.00 H new ATOM 614 N GLY A 45 -19.382 8.018 -11.389 1.00 0.00 N ATOM 615 CA GLY A 45 -20.383 7.032 -11.246 1.00 0.00 C ATOM 616 C GLY A 45 -21.134 6.853 -12.537 1.00 0.00 C ATOM 617 O GLY A 45 -21.827 5.852 -12.718 1.00 0.00 O ATOM 0 H GLY A 45 -18.792 7.900 -12.213 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.930 6.086 -10.948 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -21.074 7.319 -10.453 1.00 0.00 H new ATOM 621 N THR A 46 -21.002 7.809 -13.444 1.00 0.00 N ATOM 622 CA THR A 46 -21.682 7.734 -14.707 1.00 0.00 C ATOM 623 C THR A 46 -20.716 7.772 -15.869 1.00 0.00 C ATOM 624 O THR A 46 -19.502 8.084 -15.723 1.00 0.00 O ATOM 625 CB THR A 46 -22.742 8.868 -14.871 1.00 0.00 C ATOM 626 OG1 THR A 46 -22.155 10.158 -14.669 1.00 0.00 O ATOM 627 CG2 THR A 46 -23.890 8.689 -13.905 1.00 0.00 C ATOM 0 H THR A 46 -20.427 8.642 -13.319 1.00 0.00 H new ATOM 0 HA THR A 46 -22.199 6.775 -14.714 1.00 0.00 H new ATOM 0 HB THR A 46 -23.121 8.803 -15.891 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.256 10.053 -14.293 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.611 9.494 -14.044 1.00 0.00 H new ATOM 0 HG22 THR A 46 -24.376 7.731 -14.090 1.00 0.00 H new ATOM 0 HG23 THR A 46 -23.512 8.712 -12.883 1.00 0.00 H new ATOM 635 N THR A 47 -21.224 7.390 -16.996 1.00 0.00 N ATOM 636 CA THR A 47 -20.522 7.515 -18.204 1.00 0.00 C ATOM 637 C THR A 47 -21.098 8.683 -18.948 1.00 0.00 C ATOM 638 O THR A 47 -22.263 9.062 -18.719 1.00 0.00 O ATOM 639 CB THR A 47 -20.638 6.259 -19.079 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.022 5.967 -19.372 1.00 0.00 O ATOM 641 CG2 THR A 47 -20.003 5.062 -18.413 1.00 0.00 C ATOM 0 H THR A 47 -22.152 6.978 -17.090 1.00 0.00 H new ATOM 0 HA THR A 47 -19.465 7.657 -17.978 1.00 0.00 H new ATOM 0 HB THR A 47 -20.107 6.462 -20.009 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.125 5.801 -20.332 1.00 0.00 H new ATOM 0 HG21 THR A 47 -20.103 4.190 -19.060 1.00 0.00 H new ATOM 0 HG22 THR A 47 -18.946 5.263 -18.235 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.500 4.868 -17.463 1.00 0.00 H new ATOM 649 N ALA A 48 -20.320 9.267 -19.784 1.00 0.00 N ATOM 650 CA ALA A 48 -20.791 10.379 -20.590 1.00 0.00 C ATOM 651 C ALA A 48 -20.034 10.470 -21.878 1.00 0.00 C ATOM 652 O ALA A 48 -18.846 10.126 -21.943 1.00 0.00 O ATOM 653 CB ALA A 48 -20.704 11.693 -19.842 1.00 0.00 C ATOM 0 H ALA A 48 -19.347 9.007 -19.943 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.841 10.187 -20.813 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -21.066 12.499 -20.480 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -21.316 11.640 -18.942 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.668 11.886 -19.565 1.00 0.00 H new ATOM 659 N THR A 49 -20.714 10.910 -22.895 1.00 0.00 N ATOM 660 CA THR A 49 -20.132 11.064 -24.182 1.00 0.00 C ATOM 661 C THR A 49 -19.511 12.451 -24.307 1.00 0.00 C ATOM 662 O THR A 49 -20.208 13.468 -24.291 1.00 0.00 O ATOM 663 CB THR A 49 -21.200 10.869 -25.277 1.00 0.00 C ATOM 664 OG1 THR A 49 -21.920 9.652 -25.008 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.550 10.774 -26.655 1.00 0.00 C ATOM 0 H THR A 49 -21.698 11.173 -22.847 1.00 0.00 H new ATOM 0 HA THR A 49 -19.355 10.310 -24.309 1.00 0.00 H new ATOM 0 HB THR A 49 -21.876 11.724 -25.271 1.00 0.00 H new ATOM 0 HG1 THR A 49 -22.604 9.517 -25.697 1.00 0.00 H new ATOM 0 HG21 THR A 49 -21.322 10.637 -27.413 1.00 0.00 H new ATOM 0 HG22 THR A 49 -19.998 11.691 -26.861 1.00 0.00 H new ATOM 0 HG23 THR A 49 -19.865 9.926 -26.677 1.00 0.00 H new ATOM 673 N ILE A 50 -18.217 12.477 -24.389 1.00 0.00 N ATOM 674 CA ILE A 50 -17.468 13.687 -24.598 1.00 0.00 C ATOM 675 C ILE A 50 -17.275 13.762 -26.091 1.00 0.00 C ATOM 676 O ILE A 50 -17.194 12.727 -26.747 1.00 0.00 O ATOM 677 CB ILE A 50 -16.031 13.577 -24.002 1.00 0.00 C ATOM 678 CG1 ILE A 50 -16.001 12.911 -22.615 1.00 0.00 C ATOM 679 CG2 ILE A 50 -15.353 14.945 -23.950 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.755 13.642 -21.533 1.00 0.00 C ATOM 0 H ILE A 50 -17.635 11.643 -24.311 1.00 0.00 H new ATOM 0 HA ILE A 50 -17.986 14.532 -24.144 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.473 12.927 -24.676 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.411 11.905 -22.704 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.962 12.806 -22.303 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -14.353 14.840 -23.530 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -15.283 15.355 -24.958 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.940 15.618 -23.325 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.672 13.091 -20.596 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.334 14.639 -21.406 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.805 13.725 -21.814 1.00 0.00 H new ATOM 692 N THR A 51 -17.263 14.908 -26.633 1.00 0.00 N ATOM 693 CA THR A 51 -16.940 15.051 -28.022 1.00 0.00 C ATOM 694 C THR A 51 -15.811 16.046 -28.124 1.00 0.00 C ATOM 695 O THR A 51 -15.968 17.207 -27.738 1.00 0.00 O ATOM 696 CB THR A 51 -18.141 15.536 -28.839 1.00 0.00 C ATOM 697 OG1 THR A 51 -19.304 14.761 -28.488 1.00 0.00 O ATOM 698 CG2 THR A 51 -17.874 15.382 -30.332 1.00 0.00 C ATOM 0 H THR A 51 -17.472 15.780 -26.147 1.00 0.00 H new ATOM 0 HA THR A 51 -16.651 14.082 -28.429 1.00 0.00 H new ATOM 0 HB THR A 51 -18.309 16.590 -28.616 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.074 15.072 -29.009 1.00 0.00 H new ATOM 0 HG21 THR A 51 -18.740 15.732 -30.894 1.00 0.00 H new ATOM 0 HG22 THR A 51 -16.999 15.971 -30.608 1.00 0.00 H new ATOM 0 HG23 THR A 51 -17.692 14.332 -30.563 1.00 0.00 H new ATOM 706 N ALA A 52 -14.678 15.596 -28.569 1.00 0.00 N ATOM 707 CA ALA A 52 -13.533 16.445 -28.663 1.00 0.00 C ATOM 708 C ALA A 52 -12.723 16.074 -29.873 1.00 0.00 C ATOM 709 O ALA A 52 -12.552 14.893 -30.171 1.00 0.00 O ATOM 710 CB ALA A 52 -12.699 16.344 -27.402 1.00 0.00 C ATOM 0 H ALA A 52 -14.522 14.636 -28.875 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.861 17.479 -28.769 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.830 16.996 -27.487 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.298 16.649 -26.544 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.368 15.314 -27.266 1.00 0.00 H new ATOM 716 N ARG A 53 -12.282 17.093 -30.596 1.00 0.00 N ATOM 717 CA ARG A 53 -11.469 16.959 -31.808 1.00 0.00 C ATOM 718 C ARG A 53 -12.153 16.138 -32.896 1.00 0.00 C ATOM 719 O ARG A 53 -11.501 15.571 -33.772 1.00 0.00 O ATOM 720 CB ARG A 53 -10.070 16.449 -31.481 1.00 0.00 C ATOM 721 CG ARG A 53 -9.321 17.410 -30.585 1.00 0.00 C ATOM 722 CD ARG A 53 -7.943 16.924 -30.248 1.00 0.00 C ATOM 723 NE ARG A 53 -7.333 17.766 -29.207 1.00 0.00 N ATOM 724 CZ ARG A 53 -6.027 17.833 -28.896 1.00 0.00 C ATOM 725 NH1 ARG A 53 -5.132 17.057 -29.513 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -5.627 18.674 -27.953 1.00 0.00 N ATOM 0 H ARG A 53 -12.482 18.064 -30.354 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.359 17.959 -32.228 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.142 15.477 -30.993 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.511 16.302 -32.405 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.251 18.380 -31.076 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.886 17.559 -29.665 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.991 15.891 -29.905 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.320 16.934 -31.142 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.964 18.358 -28.667 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.436 16.401 -30.232 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.145 17.121 -29.265 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.308 19.262 -27.472 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.639 18.733 -27.709 1.00 0.00 H new ATOM 740 N GLY A 54 -13.469 16.150 -32.862 1.00 0.00 N ATOM 741 CA GLY A 54 -14.255 15.428 -33.833 1.00 0.00 C ATOM 742 C GLY A 54 -14.441 13.975 -33.463 1.00 0.00 C ATOM 743 O GLY A 54 -14.832 13.158 -34.299 1.00 0.00 O ATOM 0 H GLY A 54 -14.017 16.656 -32.167 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.231 15.903 -33.930 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.771 15.492 -34.807 1.00 0.00 H new ATOM 747 N HIS A 55 -14.137 13.629 -32.230 1.00 0.00 N ATOM 748 CA HIS A 55 -14.301 12.263 -31.784 1.00 0.00 C ATOM 749 C HIS A 55 -15.174 12.189 -30.564 1.00 0.00 C ATOM 750 O HIS A 55 -15.068 13.020 -29.655 1.00 0.00 O ATOM 751 CB HIS A 55 -12.961 11.587 -31.490 1.00 0.00 C ATOM 752 CG HIS A 55 -12.070 11.398 -32.674 1.00 0.00 C ATOM 753 ND1 HIS A 55 -12.122 10.305 -33.506 1.00 0.00 N ATOM 754 CD2 HIS A 55 -11.076 12.181 -33.148 1.00 0.00 C ATOM 755 CE1 HIS A 55 -11.180 10.451 -34.437 1.00 0.00 C ATOM 756 NE2 HIS A 55 -10.512 11.576 -34.264 1.00 0.00 N ATOM 0 H HIS A 55 -13.777 14.270 -31.523 1.00 0.00 H new ATOM 0 HA HIS A 55 -14.782 11.729 -32.604 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.429 12.180 -30.746 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.155 10.612 -31.042 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -10.769 13.127 -32.726 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.988 9.742 -35.229 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.741 11.928 -34.832 1.00 0.00 H new ATOM 764 N GLU A 56 -16.038 11.212 -30.550 1.00 0.00 N ATOM 765 CA GLU A 56 -16.906 10.973 -29.442 1.00 0.00 C ATOM 766 C GLU A 56 -16.229 9.952 -28.541 1.00 0.00 C ATOM 767 O GLU A 56 -15.708 8.924 -29.022 1.00 0.00 O ATOM 768 CB GLU A 56 -18.276 10.416 -29.897 1.00 0.00 C ATOM 769 CG GLU A 56 -19.068 11.279 -30.893 1.00 0.00 C ATOM 770 CD GLU A 56 -18.414 11.374 -32.257 1.00 0.00 C ATOM 771 OE1 GLU A 56 -17.925 10.339 -32.766 1.00 0.00 O1- ATOM 772 OE2 GLU A 56 -18.337 12.461 -32.819 1.00 0.00 O ATOM 0 H GLU A 56 -16.157 10.554 -31.320 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.089 11.913 -28.922 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.114 9.436 -30.347 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.893 10.262 -29.012 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -20.070 10.864 -31.006 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -19.183 12.282 -30.482 1.00 0.00 H new ATOM 779 N PHE A 57 -16.179 10.240 -27.279 1.00 0.00 N ATOM 780 CA PHE A 57 -15.582 9.381 -26.317 1.00 0.00 C ATOM 781 C PHE A 57 -16.537 9.182 -25.168 1.00 0.00 C ATOM 782 O PHE A 57 -16.805 10.126 -24.439 1.00 0.00 O ATOM 783 CB PHE A 57 -14.322 10.033 -25.746 1.00 0.00 C ATOM 784 CG PHE A 57 -13.278 10.452 -26.741 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.445 9.522 -27.342 1.00 0.00 C ATOM 786 CD2 PHE A 57 -13.123 11.790 -27.062 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.480 9.921 -28.243 1.00 0.00 C ATOM 788 CE2 PHE A 57 -12.158 12.191 -27.958 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.336 11.256 -28.550 1.00 0.00 C ATOM 0 H PHE A 57 -16.562 11.099 -26.884 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.340 8.434 -26.800 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.621 10.911 -25.174 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.865 9.336 -25.044 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.552 8.474 -27.103 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.766 12.527 -26.604 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.838 9.187 -28.707 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.045 13.238 -28.197 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.580 11.570 -29.254 1.00 0.00 H new ATOM 799 N GLU A 58 -17.088 8.009 -25.020 1.00 0.00 N ATOM 800 CA GLU A 58 -17.872 7.765 -23.830 1.00 0.00 C ATOM 801 C GLU A 58 -16.938 7.329 -22.734 1.00 0.00 C ATOM 802 O GLU A 58 -16.373 6.225 -22.773 1.00 0.00 O ATOM 803 CB GLU A 58 -19.008 6.758 -24.002 1.00 0.00 C ATOM 804 CG GLU A 58 -19.762 6.553 -22.704 1.00 0.00 C ATOM 805 CD GLU A 58 -20.848 5.523 -22.761 1.00 0.00 C ATOM 806 OE1 GLU A 58 -20.681 4.506 -23.460 1.00 0.00 O1- ATOM 807 OE2 GLU A 58 -21.887 5.712 -22.097 1.00 0.00 O ATOM 0 H GLU A 58 -17.018 7.231 -25.676 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.375 8.700 -23.582 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.695 7.109 -24.773 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.604 5.805 -24.345 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.051 6.267 -21.929 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -20.199 7.504 -22.401 1.00 0.00 H new ATOM 814 N VAL A 59 -16.752 8.193 -21.790 1.00 0.00 N ATOM 815 CA VAL A 59 -15.847 7.969 -20.714 1.00 0.00 C ATOM 816 C VAL A 59 -16.623 7.602 -19.473 1.00 0.00 C ATOM 817 O VAL A 59 -17.767 8.035 -19.297 1.00 0.00 O ATOM 818 CB VAL A 59 -14.977 9.227 -20.432 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.197 9.629 -21.671 1.00 0.00 C ATOM 820 CG2 VAL A 59 -15.821 10.399 -19.936 1.00 0.00 C ATOM 0 H VAL A 59 -17.235 9.091 -21.746 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.181 7.153 -20.994 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.274 8.964 -19.642 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.595 10.511 -21.452 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.544 8.810 -21.972 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -14.891 9.855 -22.480 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.177 11.258 -19.750 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.563 10.658 -20.691 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.326 10.118 -19.012 1.00 0.00 H new ATOM 830 N GLU A 60 -16.041 6.795 -18.665 1.00 0.00 N ATOM 831 CA GLU A 60 -16.610 6.408 -17.415 1.00 0.00 C ATOM 832 C GLU A 60 -15.855 7.105 -16.306 1.00 0.00 C ATOM 833 O GLU A 60 -14.654 6.858 -16.105 1.00 0.00 O ATOM 834 CB GLU A 60 -16.534 4.883 -17.244 1.00 0.00 C ATOM 835 CG GLU A 60 -17.134 4.361 -15.947 1.00 0.00 C ATOM 836 CD GLU A 60 -17.135 2.855 -15.879 1.00 0.00 C ATOM 837 OE1 GLU A 60 -16.150 2.250 -15.387 1.00 0.00 O ATOM 838 OE2 GLU A 60 -18.123 2.237 -16.305 1.00 0.00 O1- ATOM 0 H GLU A 60 -15.133 6.371 -18.853 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.661 6.697 -17.380 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.046 4.411 -18.082 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.489 4.576 -17.295 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.571 4.760 -15.103 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.156 4.727 -15.850 1.00 0.00 H new ATOM 845 N ALA A 61 -16.513 8.011 -15.624 1.00 0.00 N ATOM 846 CA ALA A 61 -15.877 8.659 -14.495 1.00 0.00 C ATOM 847 C ALA A 61 -15.992 7.718 -13.306 1.00 0.00 C ATOM 848 O ALA A 61 -17.047 7.594 -12.702 1.00 0.00 O ATOM 849 CB ALA A 61 -16.496 10.017 -14.213 1.00 0.00 C ATOM 0 H ALA A 61 -17.467 8.314 -15.822 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.826 8.855 -14.710 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -15.995 10.475 -13.360 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.382 10.657 -15.088 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.556 9.894 -13.989 1.00 0.00 H new ATOM 855 N LYS A 62 -14.926 7.003 -13.028 1.00 0.00 N ATOM 856 CA LYS A 62 -14.973 5.943 -12.047 1.00 0.00 C ATOM 857 C LYS A 62 -14.428 6.283 -10.650 1.00 0.00 C ATOM 858 O LYS A 62 -14.874 5.687 -9.669 1.00 0.00 O ATOM 859 CB LYS A 62 -14.297 4.689 -12.599 1.00 0.00 C ATOM 860 CG LYS A 62 -12.875 4.921 -13.091 1.00 0.00 C ATOM 861 CD LYS A 62 -12.257 3.655 -13.677 1.00 0.00 C ATOM 862 CE LYS A 62 -12.114 2.559 -12.635 1.00 0.00 C ATOM 863 NZ LYS A 62 -11.535 1.323 -13.195 1.00 0.00 N1+ ATOM 0 H LYS A 62 -14.015 7.136 -13.468 1.00 0.00 H new ATOM 0 HA LYS A 62 -16.036 5.771 -11.878 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -14.282 3.924 -11.822 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -14.896 4.297 -13.421 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.877 5.706 -13.847 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.259 5.276 -12.264 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.876 3.296 -14.499 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.278 3.889 -14.094 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.484 2.916 -11.821 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.092 2.338 -12.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.458 0.606 -12.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.149 0.965 -13.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.590 1.525 -13.580 1.00 0.00 H new ATOM 877 N ASP A 63 -13.509 7.221 -10.536 1.00 0.00 N ATOM 878 CA ASP A 63 -12.857 7.477 -9.255 1.00 0.00 C ATOM 879 C ASP A 63 -12.451 8.934 -9.179 1.00 0.00 C ATOM 880 O ASP A 63 -12.315 9.570 -10.221 1.00 0.00 O ATOM 881 CB ASP A 63 -11.630 6.553 -9.131 1.00 0.00 C ATOM 882 CG ASP A 63 -10.784 6.829 -7.922 1.00 0.00 C ATOM 883 OD1 ASP A 63 -11.089 6.328 -6.823 1.00 0.00 O1- ATOM 884 OD2 ASP A 63 -9.798 7.550 -8.051 1.00 0.00 O ATOM 0 H ASP A 63 -13.195 7.816 -11.303 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.539 7.270 -8.430 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.968 5.517 -9.097 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.015 6.659 -10.025 1.00 0.00 H new ATOM 889 N GLN A 64 -12.226 9.462 -7.966 1.00 0.00 N ATOM 890 CA GLN A 64 -11.890 10.872 -7.790 1.00 0.00 C ATOM 891 C GLN A 64 -10.461 11.215 -8.195 1.00 0.00 C ATOM 892 O GLN A 64 -10.048 12.357 -8.087 1.00 0.00 O ATOM 893 CB GLN A 64 -12.185 11.383 -6.384 1.00 0.00 C ATOM 894 CG GLN A 64 -11.440 10.689 -5.251 1.00 0.00 C ATOM 895 CD GLN A 64 -11.644 11.390 -3.906 1.00 0.00 C ATOM 896 OE1 GLN A 64 -11.742 12.707 -3.914 1.00 0.00 O flip ATOM 897 NE2 GLN A 64 -11.656 10.752 -2.861 1.00 0.00 N flip ATOM 0 H GLN A 64 -12.272 8.930 -7.097 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.552 11.395 -8.480 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.950 12.447 -6.349 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -13.255 11.287 -6.201 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.780 9.656 -5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.376 10.658 -5.484 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.579 9.735 -2.883 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -11.743 11.237 -1.968 1.00 0.00 H new ATOM 906 N ASN A 65 -9.699 10.238 -8.636 1.00 0.00 N ATOM 907 CA ASN A 65 -8.394 10.530 -9.219 1.00 0.00 C ATOM 908 C ASN A 65 -8.575 10.698 -10.712 1.00 0.00 C ATOM 909 O ASN A 65 -7.624 10.904 -11.456 1.00 0.00 O ATOM 910 CB ASN A 65 -7.349 9.442 -8.909 1.00 0.00 C ATOM 911 CG ASN A 65 -6.837 9.473 -7.469 1.00 0.00 C ATOM 912 OD1 ASN A 65 -7.394 8.829 -6.568 1.00 0.00 O ATOM 913 ND2 ASN A 65 -5.765 10.197 -7.238 1.00 0.00 N ATOM 0 H ASN A 65 -9.948 9.249 -8.607 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.007 11.447 -8.774 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.786 8.464 -9.109 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.504 9.558 -9.588 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.371 10.239 -6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.327 10.717 -7.998 1.00 0.00 H new ATOM 920 N CYS A 66 -9.835 10.589 -11.120 1.00 0.00 N ATOM 921 CA CYS A 66 -10.308 10.751 -12.473 1.00 0.00 C ATOM 922 C CYS A 66 -9.493 9.982 -13.498 1.00 0.00 C ATOM 923 O CYS A 66 -8.814 10.556 -14.354 1.00 0.00 O ATOM 924 CB CYS A 66 -10.490 12.227 -12.843 1.00 0.00 C ATOM 925 SG CYS A 66 -11.646 13.129 -11.737 1.00 0.00 S ATOM 0 H CYS A 66 -10.591 10.372 -10.470 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.297 10.294 -12.502 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -9.519 12.721 -12.819 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -10.856 12.293 -13.868 1.00 0.00 H new ATOM 930 N LYS A 67 -9.489 8.676 -13.357 1.00 0.00 N ATOM 931 CA LYS A 67 -8.873 7.831 -14.330 1.00 0.00 C ATOM 932 C LYS A 67 -9.849 7.564 -15.401 1.00 0.00 C ATOM 933 O LYS A 67 -10.727 6.709 -15.286 1.00 0.00 O ATOM 934 CB LYS A 67 -8.265 6.572 -13.725 1.00 0.00 C ATOM 935 CG LYS A 67 -6.773 6.612 -13.314 1.00 0.00 C ATOM 936 CD LYS A 67 -6.373 7.904 -12.625 1.00 0.00 C ATOM 937 CE LYS A 67 -5.765 8.855 -13.629 1.00 0.00 C ATOM 938 NZ LYS A 67 -5.576 10.215 -13.096 1.00 0.00 N1+ ATOM 0 H LYS A 67 -9.910 8.182 -12.570 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.015 8.345 -14.764 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.848 6.311 -12.842 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.392 5.761 -14.442 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.564 5.774 -12.649 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.155 6.476 -14.202 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.245 8.363 -12.158 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.658 7.696 -11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.802 8.462 -13.956 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.405 8.902 -14.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.837 10.912 -13.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.178 10.346 -12.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.579 10.348 -12.830 1.00 0.00 H new ATOM 952 N VAL A 68 -9.757 8.412 -16.372 1.00 0.00 N ATOM 953 CA VAL A 68 -10.600 8.408 -17.512 1.00 0.00 C ATOM 954 C VAL A 68 -10.415 7.140 -18.332 1.00 0.00 C ATOM 955 O VAL A 68 -9.370 6.911 -18.951 1.00 0.00 O ATOM 956 CB VAL A 68 -10.417 9.706 -18.366 1.00 0.00 C ATOM 957 CG1 VAL A 68 -8.955 9.974 -18.722 1.00 0.00 C ATOM 958 CG2 VAL A 68 -11.275 9.656 -19.612 1.00 0.00 C ATOM 0 H VAL A 68 -9.061 9.157 -16.389 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.633 8.409 -17.164 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.748 10.540 -17.747 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.886 10.886 -19.315 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.373 10.091 -17.808 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.561 9.137 -19.298 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.131 10.569 -20.190 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.989 8.795 -20.216 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.324 9.568 -19.328 1.00 0.00 H new ATOM 968 N ILE A 69 -11.394 6.292 -18.240 1.00 0.00 N ATOM 969 CA ILE A 69 -11.436 5.072 -18.976 1.00 0.00 C ATOM 970 C ILE A 69 -12.756 5.023 -19.689 1.00 0.00 C ATOM 971 O ILE A 69 -13.790 5.307 -19.114 1.00 0.00 O ATOM 972 CB ILE A 69 -11.253 3.823 -18.058 1.00 0.00 C ATOM 973 CG1 ILE A 69 -9.887 3.889 -17.381 1.00 0.00 C ATOM 974 CG2 ILE A 69 -11.371 2.532 -18.869 1.00 0.00 C ATOM 975 CD1 ILE A 69 -9.638 2.828 -16.340 1.00 0.00 C ATOM 0 H ILE A 69 -12.203 6.436 -17.636 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.609 5.046 -19.686 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.038 3.824 -17.302 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.115 3.813 -18.147 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.777 4.868 -16.914 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.240 1.674 -18.209 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.355 2.484 -19.336 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.602 2.516 -19.641 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -8.642 2.959 -15.918 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.382 2.913 -15.548 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.710 1.843 -16.800 1.00 0.00 H new ATOM 987 N LEU A 70 -12.704 4.733 -20.932 1.00 0.00 N ATOM 988 CA LEU A 70 -13.859 4.679 -21.761 1.00 0.00 C ATOM 989 C LEU A 70 -14.512 3.329 -21.692 1.00 0.00 C ATOM 990 O LEU A 70 -13.885 2.321 -21.336 1.00 0.00 O ATOM 991 CB LEU A 70 -13.519 4.995 -23.230 1.00 0.00 C ATOM 992 CG LEU A 70 -13.188 6.449 -23.623 1.00 0.00 C ATOM 993 CD1 LEU A 70 -11.938 6.969 -22.938 1.00 0.00 C ATOM 994 CD2 LEU A 70 -13.040 6.552 -25.124 1.00 0.00 C ATOM 0 H LEU A 70 -11.835 4.519 -21.422 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.548 5.436 -21.386 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.667 4.376 -23.512 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.363 4.673 -23.840 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.017 7.072 -23.287 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.752 7.996 -23.251 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.076 6.938 -21.857 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.087 6.346 -23.213 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.806 7.581 -25.397 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.235 5.897 -25.456 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.972 6.253 -25.603 1.00 0.00 H new ATOM 1006 N THR A 71 -15.726 3.301 -22.131 1.00 0.00 N ATOM 1007 CA THR A 71 -16.543 2.104 -22.170 1.00 0.00 C ATOM 1008 C THR A 71 -16.104 1.199 -23.318 1.00 0.00 C ATOM 1009 O THR A 71 -16.562 0.068 -23.463 1.00 0.00 O ATOM 1010 CB THR A 71 -18.019 2.493 -22.326 1.00 0.00 C ATOM 1011 OG1 THR A 71 -18.125 3.510 -23.335 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.575 3.013 -21.017 1.00 0.00 C ATOM 0 H THR A 71 -16.204 4.129 -22.487 1.00 0.00 H new ATOM 0 HA THR A 71 -16.418 1.555 -21.237 1.00 0.00 H new ATOM 0 HB THR A 71 -18.593 1.613 -22.617 1.00 0.00 H new ATOM 0 HG1 THR A 71 -19.044 3.849 -23.362 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.623 3.283 -21.149 1.00 0.00 H new ATOM 0 HG22 THR A 71 -18.493 2.239 -20.254 1.00 0.00 H new ATOM 0 HG23 THR A 71 -18.010 3.891 -20.705 1.00 0.00 H new ATOM 1020 N ASN A 72 -15.205 1.726 -24.128 1.00 0.00 N ATOM 1021 CA ASN A 72 -14.607 0.994 -25.230 1.00 0.00 C ATOM 1022 C ASN A 72 -13.383 0.237 -24.730 1.00 0.00 C ATOM 1023 O ASN A 72 -12.691 -0.411 -25.498 1.00 0.00 O ATOM 1024 CB ASN A 72 -14.180 1.947 -26.366 1.00 0.00 C ATOM 1025 CG ASN A 72 -15.320 2.751 -26.974 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -15.985 2.306 -27.900 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -15.520 3.961 -26.494 1.00 0.00 N ATOM 0 H ASN A 72 -14.866 2.684 -24.039 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.350 0.299 -25.620 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.429 2.637 -25.982 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.703 1.363 -27.153 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.246 4.555 -26.895 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.949 4.304 -25.721 1.00 0.00 H new ATOM 1034 N GLY A 73 -13.087 0.386 -23.434 1.00 0.00 N ATOM 1035 CA GLY A 73 -11.972 -0.303 -22.837 1.00 0.00 C ATOM 1036 C GLY A 73 -10.708 0.448 -23.090 1.00 0.00 C ATOM 1037 O GLY A 73 -9.615 -0.108 -23.062 1.00 0.00 O ATOM 0 H GLY A 73 -13.612 0.980 -22.792 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.132 -0.409 -21.764 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.894 -1.309 -23.248 1.00 0.00 H new ATOM 1041 N LYS A 74 -10.848 1.722 -23.354 1.00 0.00 N ATOM 1042 CA LYS A 74 -9.726 2.525 -23.695 1.00 0.00 C ATOM 1043 C LYS A 74 -9.471 3.520 -22.591 1.00 0.00 C ATOM 1044 O LYS A 74 -10.403 4.098 -22.075 1.00 0.00 O ATOM 1045 CB LYS A 74 -9.988 3.243 -25.012 1.00 0.00 C ATOM 1046 CG LYS A 74 -10.390 2.333 -26.176 1.00 0.00 C ATOM 1047 CD LYS A 74 -9.320 1.295 -26.501 1.00 0.00 C ATOM 1048 CE LYS A 74 -9.758 0.377 -27.635 1.00 0.00 C ATOM 1049 NZ LYS A 74 -10.036 1.123 -28.886 1.00 0.00 N1+ ATOM 0 H LYS A 74 -11.739 2.218 -23.336 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.845 1.895 -23.814 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.777 3.979 -24.857 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.090 3.793 -25.294 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.322 1.825 -25.931 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.582 2.942 -27.060 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.394 1.800 -26.777 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.106 0.701 -25.613 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.980 -0.364 -27.821 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.652 -0.169 -27.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.148 0.452 -29.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.911 1.674 -28.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.245 1.766 -29.090 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.232 3.725 -22.237 1.00 0.00 N ATOM 1064 CA GLN A 75 -7.892 4.634 -21.152 1.00 0.00 C ATOM 1065 C GLN A 75 -7.641 6.067 -21.678 1.00 0.00 C ATOM 1066 O GLN A 75 -6.791 6.806 -21.156 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.694 4.097 -20.356 1.00 0.00 C ATOM 1068 CG GLN A 75 -6.540 4.774 -19.002 1.00 0.00 C ATOM 1069 CD GLN A 75 -5.421 4.235 -18.161 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -5.042 3.065 -18.265 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -4.906 5.055 -17.297 1.00 0.00 N ATOM 0 H GLN A 75 -7.430 3.277 -22.680 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.742 4.691 -20.472 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -6.812 3.023 -20.210 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -5.783 4.242 -20.936 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.378 5.840 -19.159 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.474 4.671 -18.450 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.245 6.015 -17.240 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.162 4.739 -16.675 1.00 0.00 H new ATOM 1080 N ALA A 76 -8.399 6.433 -22.708 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.424 7.773 -23.285 1.00 0.00 C ATOM 1082 C ALA A 76 -7.120 8.189 -23.971 1.00 0.00 C ATOM 1083 O ALA A 76 -6.053 7.584 -23.778 1.00 0.00 O ATOM 1084 CB ALA A 76 -8.821 8.806 -22.230 1.00 0.00 C ATOM 0 H ALA A 76 -9.032 5.785 -23.178 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.177 7.737 -24.073 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.834 9.799 -22.680 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.813 8.569 -21.844 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.100 8.787 -21.413 1.00 0.00 H new ATOM 1090 N PRO A 77 -7.208 9.165 -24.881 1.00 0.00 N ATOM 1091 CA PRO A 77 -6.034 9.832 -25.420 1.00 0.00 C ATOM 1092 C PRO A 77 -5.321 10.588 -24.297 1.00 0.00 C ATOM 1093 O PRO A 77 -5.953 10.983 -23.306 1.00 0.00 O ATOM 1094 CB PRO A 77 -6.623 10.838 -26.407 1.00 0.00 C ATOM 1095 CG PRO A 77 -7.976 10.336 -26.736 1.00 0.00 C ATOM 1096 CD PRO A 77 -8.456 9.635 -25.512 1.00 0.00 C ATOM 0 HA PRO A 77 -5.317 9.147 -25.872 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.672 11.834 -25.967 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.006 10.915 -27.302 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.643 11.155 -27.005 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.945 9.658 -27.589 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.011 10.305 -24.856 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.120 8.806 -25.757 1.00 0.00 H new ATOM 1104 N ASP A 78 -4.038 10.820 -24.454 1.00 0.00 N ATOM 1105 CA ASP A 78 -3.241 11.509 -23.428 1.00 0.00 C ATOM 1106 C ASP A 78 -3.673 12.956 -23.272 1.00 0.00 C ATOM 1107 O ASP A 78 -3.575 13.546 -22.197 1.00 0.00 O ATOM 1108 CB ASP A 78 -1.746 11.426 -23.747 1.00 0.00 C ATOM 1109 CG ASP A 78 -0.892 12.248 -22.797 1.00 0.00 C ATOM 1110 OD1 ASP A 78 -0.759 11.874 -21.605 1.00 0.00 O1- ATOM 1111 OD2 ASP A 78 -0.353 13.287 -23.226 1.00 0.00 O ATOM 0 H ASP A 78 -3.509 10.546 -25.282 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.418 11.001 -22.480 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.428 10.384 -23.704 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.578 11.769 -24.768 1.00 0.00 H new ATOM 1116 N TRP A 79 -4.203 13.503 -24.335 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.649 14.865 -24.333 1.00 0.00 C ATOM 1118 C TRP A 79 -5.991 15.037 -23.623 1.00 0.00 C ATOM 1119 O TRP A 79 -6.424 16.139 -23.393 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.679 15.438 -25.752 1.00 0.00 C ATOM 1121 CG TRP A 79 -5.551 14.720 -26.730 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -5.150 13.803 -27.632 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -6.962 14.887 -26.922 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -6.215 13.373 -28.377 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -7.341 14.023 -27.957 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -7.939 15.678 -26.315 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -8.650 13.924 -28.402 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -9.235 15.581 -26.756 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -9.579 14.708 -27.792 1.00 0.00 C ATOM 0 H TRP A 79 -4.336 13.016 -25.221 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.922 15.439 -23.758 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -5.007 16.476 -25.697 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.661 15.446 -26.141 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -4.134 13.457 -27.750 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -6.174 12.680 -29.124 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.680 16.354 -25.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -8.922 13.251 -29.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -10.000 16.188 -26.296 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.608 14.655 -28.116 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.653 13.956 -23.288 1.00 0.00 N ATOM 1141 CA LEU A 80 -7.895 14.076 -22.589 1.00 0.00 C ATOM 1142 C LEU A 80 -7.593 14.114 -21.102 1.00 0.00 C ATOM 1143 O LEU A 80 -7.139 13.121 -20.516 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.853 12.934 -22.956 1.00 0.00 C ATOM 1145 CG LEU A 80 -10.248 12.998 -22.321 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -10.953 14.300 -22.679 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -11.091 11.814 -22.756 1.00 0.00 C ATOM 0 H LEU A 80 -6.354 13.001 -23.487 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.403 14.996 -22.878 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.969 12.917 -24.040 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.388 11.990 -22.671 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.122 12.960 -21.239 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.940 14.319 -22.216 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.366 15.143 -22.316 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.059 14.371 -23.762 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.076 11.879 -22.294 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.198 11.822 -23.841 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.606 10.888 -22.446 1.00 0.00 H new ATOM 1159 N ALA A 81 -7.796 15.260 -20.507 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.447 15.463 -19.128 1.00 0.00 C ATOM 1161 C ALA A 81 -8.678 15.576 -18.289 1.00 0.00 C ATOM 1162 O ALA A 81 -9.719 16.016 -18.769 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.598 16.709 -18.975 1.00 0.00 C ATOM 0 H ALA A 81 -8.206 16.075 -20.963 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.870 14.602 -18.790 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.342 16.848 -17.925 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.684 16.601 -19.560 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.156 17.575 -19.331 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.567 15.169 -17.054 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.660 15.234 -16.124 1.00 0.00 C ATOM 1171 C ALA A 82 -9.160 15.566 -14.725 1.00 0.00 C ATOM 1172 O ALA A 82 -8.194 14.968 -14.247 1.00 0.00 O ATOM 1173 CB ALA A 82 -10.421 13.918 -16.114 1.00 0.00 C ATOM 0 H ALA A 82 -7.709 14.780 -16.662 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.335 16.028 -16.443 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.247 13.981 -15.405 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.813 13.717 -17.111 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.750 13.112 -15.819 1.00 0.00 H new ATOM 1179 N GLU A 83 -9.796 16.524 -14.094 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.489 16.904 -12.739 1.00 0.00 C ATOM 1181 C GLU A 83 -10.744 16.689 -11.900 1.00 0.00 C ATOM 1182 O GLU A 83 -11.854 16.917 -12.383 1.00 0.00 O ATOM 1183 CB GLU A 83 -9.017 18.376 -12.633 1.00 0.00 C ATOM 1184 CG GLU A 83 -10.055 19.402 -13.060 1.00 0.00 C ATOM 1185 CD GLU A 83 -9.655 20.823 -12.740 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -8.924 21.452 -13.531 1.00 0.00 O ATOM 1187 OE2 GLU A 83 -10.083 21.346 -11.677 1.00 0.00 O1- ATOM 0 H GLU A 83 -10.550 17.067 -14.514 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.665 16.290 -12.376 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.727 18.578 -11.602 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.125 18.503 -13.246 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.225 19.312 -14.133 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.001 19.178 -12.568 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.599 16.210 -10.683 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.723 15.942 -9.791 1.00 0.00 C ATOM 1196 C PRO A 84 -12.525 17.200 -9.417 1.00 0.00 C ATOM 1197 O PRO A 84 -11.964 18.311 -9.244 1.00 0.00 O ATOM 1198 CB PRO A 84 -11.045 15.338 -8.563 1.00 0.00 C ATOM 1199 CG PRO A 84 -9.647 15.793 -8.639 1.00 0.00 C ATOM 1200 CD PRO A 84 -9.331 15.817 -10.078 1.00 0.00 C ATOM 0 HA PRO A 84 -12.464 15.293 -10.258 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.521 15.676 -7.643 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -11.107 14.250 -8.573 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.529 16.780 -8.192 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.982 15.118 -8.100 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.537 16.528 -10.306 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.998 14.842 -10.435 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.809 17.027 -9.320 1.00 0.00 N ATOM 1209 CA TYR A 85 -14.723 18.058 -8.972 1.00 0.00 C ATOM 1210 C TYR A 85 -15.503 17.618 -7.730 1.00 0.00 C ATOM 1211 O TYR A 85 -15.173 18.089 -6.633 1.00 0.00 O ATOM 1212 CB TYR A 85 -15.657 18.352 -10.144 1.00 0.00 C ATOM 1213 CG TYR A 85 -16.662 19.465 -9.907 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -17.909 19.203 -9.353 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -16.365 20.776 -10.253 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -18.825 20.207 -9.147 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -17.281 21.788 -10.051 1.00 0.00 C ATOM 1218 CZ TYR A 85 -18.509 21.495 -9.500 1.00 0.00 C ATOM 1219 OH TYR A 85 -19.430 22.506 -9.301 1.00 0.00 O ATOM 1220 OXT TYR A 85 -16.410 16.751 -7.841 1.00 0.00 O1- ATOM 0 H TYR A 85 -14.259 16.128 -9.489 1.00 0.00 H new ATOM 0 HA TYR A 85 -14.186 18.979 -8.746 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -15.052 18.609 -11.014 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -16.201 17.440 -10.392 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -18.164 18.190 -9.079 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -15.403 21.007 -10.687 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -19.787 19.984 -8.710 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -17.037 22.804 -10.323 1.00 0.00 H new ATOM 0 HH TYR A 85 -19.051 23.358 -9.602 1.00 0.00 H new