USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 490 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 Set 1.1: A 16 TYR OH : rot 64:sc= 0.0161 USER MOD Set 1.2: A 45 CYS SG : rot -23:sc= -1.67 USER MOD Set 2.1: A 27 HIS : no HD1:sc= -1.6 X(o=-9.1,f=-8.8) USER MOD Set 2.2: A 31 HIS : no HE2:sc= -7.55 X(o=-9.1,f=-8.8!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -53:sc= 1.18 USER MOD Single : A 15 SER OG : rot -84:sc= 0.269 USER MOD Single : A 21 GLN : amide:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : A 22 THR OG1 : rot 103:sc= 1.26 USER MOD Single : A 23 SER OG : rot 113:sc= 1.27 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -3.94 K(o=-3.9,f=-15!) USER MOD Single : A 42 SER OG : rot -64:sc= -1.28! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.0606) USER MOD Single : A 46 SER OG : rot -88:sc= -0.408 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -99:sc= -0.342 USER MOD Single : A 52 MET CE :methyl -177:sc= -0.0522 (180deg=-0.0582) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0479 USER MOD Single : A 55 LYS NZ :NH3+ -106:sc= -0.111 (180deg=-0.42) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -116:sc= 1.06 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -141:sc= -0.5 (180deg=-1.45!) USER MOD Single : A 65 LYS NZ :NH3+ 142:sc= 0 (180deg=-0.0528) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LYS A 12 -14.070 10.307 -5.037 1.00 0.00 N ATOM 164 CA LYS A 12 -13.200 9.096 -5.109 1.00 0.00 C ATOM 165 C LYS A 12 -14.013 7.841 -4.777 1.00 0.00 C ATOM 166 O LYS A 12 -15.226 7.882 -4.699 1.00 0.00 O ATOM 167 CB LYS A 12 -12.113 9.325 -4.058 1.00 0.00 C ATOM 168 CG LYS A 12 -11.242 10.511 -4.473 1.00 0.00 C ATOM 169 CD LYS A 12 -10.306 10.887 -3.322 1.00 0.00 C ATOM 170 CE LYS A 12 -11.034 11.823 -2.355 1.00 0.00 C ATOM 171 NZ LYS A 12 -10.262 11.739 -1.085 1.00 0.00 N ATOM 0 HA LYS A 12 -12.779 8.948 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.567 9.517 -3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.500 8.430 -3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.661 10.256 -5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.870 11.362 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.978 9.989 -2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.411 11.373 -3.711 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.058 12.844 -2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.069 11.513 -2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.700 12.355 -0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.263 10.757 -0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.283 12.046 -1.253 1.00 0.00 H new ATOM 185 N MET A 13 -13.350 6.730 -4.581 1.00 0.00 N ATOM 186 CA MET A 13 -14.076 5.466 -4.254 1.00 0.00 C ATOM 187 C MET A 13 -13.437 4.788 -3.039 1.00 0.00 C ATOM 188 O MET A 13 -12.455 5.263 -2.498 1.00 0.00 O ATOM 189 CB MET A 13 -13.927 4.589 -5.498 1.00 0.00 C ATOM 190 CG MET A 13 -14.811 5.138 -6.619 1.00 0.00 C ATOM 191 SD MET A 13 -16.483 4.462 -6.454 1.00 0.00 S ATOM 192 CE MET A 13 -17.344 5.764 -7.369 1.00 0.00 C ATOM 0 H MET A 13 -12.335 6.644 -4.633 1.00 0.00 H new ATOM 0 HA MET A 13 -15.122 5.644 -4.004 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.885 4.569 -5.819 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.210 3.562 -5.268 1.00 0.00 H new ATOM 0 HG2 MET A 13 -14.841 6.227 -6.573 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.393 4.871 -7.590 1.00 0.00 H new ATOM 0 HE1 MET A 13 -18.412 5.546 -7.393 1.00 0.00 H new ATOM 0 HE2 MET A 13 -17.180 6.723 -6.878 1.00 0.00 H new ATOM 0 HE3 MET A 13 -16.959 5.808 -8.388 1.00 0.00 H new ATOM 202 N SER A 14 -13.988 3.682 -2.610 1.00 0.00 N ATOM 203 CA SER A 14 -13.421 2.963 -1.430 1.00 0.00 C ATOM 204 C SER A 14 -13.784 1.477 -1.491 1.00 0.00 C ATOM 205 O SER A 14 -14.175 0.888 -0.504 1.00 0.00 O ATOM 206 CB SER A 14 -14.068 3.626 -0.215 1.00 0.00 C ATOM 207 OG SER A 14 -13.700 2.914 0.960 1.00 0.00 O ATOM 0 H SER A 14 -14.809 3.244 -3.028 1.00 0.00 H new ATOM 0 HA SER A 14 -12.333 3.021 -1.394 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.748 4.665 -0.140 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.152 3.634 -0.325 1.00 0.00 H new ATOM 0 HG SER A 14 -13.911 1.964 0.846 1.00 0.00 H new ATOM 213 N SER A 15 -13.652 0.871 -2.649 1.00 0.00 N ATOM 214 CA SER A 15 -13.982 -0.588 -2.822 1.00 0.00 C ATOM 215 C SER A 15 -15.493 -0.839 -2.658 1.00 0.00 C ATOM 216 O SER A 15 -16.146 -1.308 -3.571 1.00 0.00 O ATOM 217 CB SER A 15 -13.148 -1.355 -1.773 1.00 0.00 C ATOM 218 OG SER A 15 -13.911 -1.572 -0.590 1.00 0.00 O ATOM 0 H SER A 15 -13.324 1.332 -3.498 1.00 0.00 H new ATOM 0 HA SER A 15 -13.735 -0.933 -3.826 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.825 -2.311 -2.185 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.247 -0.791 -1.533 1.00 0.00 H new ATOM 0 HG SER A 15 -13.853 -0.781 -0.014 1.00 0.00 H new ATOM 224 N TYR A 16 -16.051 -0.533 -1.512 1.00 0.00 N ATOM 225 CA TYR A 16 -17.516 -0.758 -1.302 1.00 0.00 C ATOM 226 C TYR A 16 -18.329 0.064 -2.306 1.00 0.00 C ATOM 227 O TYR A 16 -19.428 -0.305 -2.677 1.00 0.00 O ATOM 228 CB TYR A 16 -17.798 -0.286 0.127 1.00 0.00 C ATOM 229 CG TYR A 16 -19.041 -0.966 0.646 1.00 0.00 C ATOM 230 CD1 TYR A 16 -20.306 -0.486 0.284 1.00 0.00 C ATOM 231 CD2 TYR A 16 -18.929 -2.078 1.489 1.00 0.00 C ATOM 232 CE1 TYR A 16 -21.458 -1.117 0.766 1.00 0.00 C ATOM 233 CE2 TYR A 16 -20.083 -2.710 1.971 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.347 -2.229 1.609 1.00 0.00 C ATOM 235 OH TYR A 16 -22.484 -2.852 2.084 1.00 0.00 O ATOM 0 H TYR A 16 -15.556 -0.137 -0.713 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.793 -1.802 -1.446 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.949 -0.516 0.771 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.928 0.796 0.145 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.392 0.371 -0.367 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.954 -2.449 1.768 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -22.433 -0.746 0.488 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -19.997 -3.568 2.622 1.00 0.00 H new ATOM 0 HH TYR A 16 -22.983 -3.239 1.334 1.00 0.00 H new ATOM 245 N ALA A 17 -17.796 1.175 -2.748 1.00 0.00 N ATOM 246 CA ALA A 17 -18.533 2.027 -3.731 1.00 0.00 C ATOM 247 C ALA A 17 -18.493 1.386 -5.119 1.00 0.00 C ATOM 248 O ALA A 17 -19.394 1.558 -5.918 1.00 0.00 O ATOM 249 CB ALA A 17 -17.793 3.366 -3.738 1.00 0.00 C ATOM 0 H ALA A 17 -16.881 1.530 -2.470 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.583 2.146 -3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.278 4.046 -4.439 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -17.815 3.799 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.758 3.208 -4.042 1.00 0.00 H new ATOM 255 N PHE A 18 -17.453 0.646 -5.409 1.00 0.00 N ATOM 256 CA PHE A 18 -17.344 -0.015 -6.746 1.00 0.00 C ATOM 257 C PHE A 18 -18.170 -1.304 -6.766 1.00 0.00 C ATOM 258 O PHE A 18 -18.654 -1.722 -7.802 1.00 0.00 O ATOM 259 CB PHE A 18 -15.856 -0.328 -6.914 1.00 0.00 C ATOM 260 CG PHE A 18 -15.188 0.788 -7.683 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.633 1.116 -8.969 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.123 1.494 -7.109 1.00 0.00 C ATOM 263 CE1 PHE A 18 -15.013 2.149 -9.681 1.00 0.00 C ATOM 264 CE2 PHE A 18 -13.505 2.527 -7.822 1.00 0.00 C ATOM 265 CZ PHE A 18 -13.949 2.855 -9.108 1.00 0.00 C ATOM 0 H PHE A 18 -16.673 0.470 -4.776 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.720 0.616 -7.551 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.386 -0.443 -5.938 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.730 -1.273 -7.442 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.454 0.572 -9.412 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.779 1.241 -6.117 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.356 2.402 -10.673 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.684 3.072 -7.379 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.471 3.652 -9.658 1.00 0.00 H new ATOM 275 N PHE A 19 -18.331 -1.934 -5.631 1.00 0.00 N ATOM 276 CA PHE A 19 -19.127 -3.200 -5.576 1.00 0.00 C ATOM 277 C PHE A 19 -20.592 -2.918 -5.924 1.00 0.00 C ATOM 278 O PHE A 19 -21.178 -3.583 -6.757 1.00 0.00 O ATOM 279 CB PHE A 19 -19.001 -3.694 -4.133 1.00 0.00 C ATOM 280 CG PHE A 19 -19.224 -5.187 -4.086 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.459 -6.036 -4.894 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.196 -5.722 -3.233 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.665 -7.421 -4.849 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.404 -7.106 -3.188 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.638 -7.955 -3.996 1.00 0.00 C ATOM 0 H PHE A 19 -17.946 -1.627 -4.738 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.768 -3.942 -6.289 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -18.014 -3.451 -3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.729 -3.187 -3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.709 -5.623 -5.553 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.786 -5.067 -2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.074 -8.076 -5.472 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.155 -7.518 -2.530 1.00 0.00 H new ATOM 0 HZ PHE A 19 -19.798 -9.023 -3.961 1.00 0.00 H new ATOM 295 N VAL A 20 -21.182 -1.934 -5.293 1.00 0.00 N ATOM 296 CA VAL A 20 -22.610 -1.600 -5.583 1.00 0.00 C ATOM 297 C VAL A 20 -22.718 -0.907 -6.946 1.00 0.00 C ATOM 298 O VAL A 20 -23.727 -1.001 -7.620 1.00 0.00 O ATOM 299 CB VAL A 20 -23.039 -0.654 -4.453 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.492 -0.216 -4.661 1.00 0.00 C ATOM 301 CG2 VAL A 20 -22.916 -1.378 -3.111 1.00 0.00 C ATOM 0 H VAL A 20 -20.736 -1.347 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.244 -2.485 -5.626 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.395 0.225 -4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -24.789 0.455 -3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.583 0.302 -5.616 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.140 -1.093 -4.660 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.220 -0.708 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.559 -2.258 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.881 -1.684 -2.956 1.00 0.00 H new ATOM 311 N GLN A 21 -21.684 -0.216 -7.356 1.00 0.00 N ATOM 312 CA GLN A 21 -21.719 0.484 -8.677 1.00 0.00 C ATOM 313 C GLN A 21 -21.579 -0.529 -9.816 1.00 0.00 C ATOM 314 O GLN A 21 -22.072 -0.317 -10.908 1.00 0.00 O ATOM 315 CB GLN A 21 -20.523 1.438 -8.659 1.00 0.00 C ATOM 316 CG GLN A 21 -20.945 2.776 -8.049 1.00 0.00 C ATOM 317 CD GLN A 21 -21.465 3.698 -9.154 1.00 0.00 C ATOM 318 OE1 GLN A 21 -20.738 4.532 -9.657 1.00 0.00 O ATOM 319 NE2 GLN A 21 -22.701 3.582 -9.555 1.00 0.00 N ATOM 0 H GLN A 21 -20.816 -0.106 -6.832 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.658 1.014 -8.835 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -19.707 1.004 -8.081 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -20.150 1.590 -9.672 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -21.719 2.618 -7.298 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.099 3.240 -7.542 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -23.311 2.882 -9.132 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -23.058 4.191 -10.291 1.00 0.00 H new ATOM 328 N THR A 22 -20.912 -1.626 -9.566 1.00 0.00 N ATOM 329 CA THR A 22 -20.734 -2.660 -10.630 1.00 0.00 C ATOM 330 C THR A 22 -21.818 -3.737 -10.510 1.00 0.00 C ATOM 331 O THR A 22 -22.193 -4.362 -11.484 1.00 0.00 O ATOM 332 CB THR A 22 -19.351 -3.261 -10.371 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.396 -2.215 -10.269 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.972 -4.190 -11.525 1.00 0.00 C ATOM 0 H THR A 22 -20.482 -1.851 -8.669 1.00 0.00 H new ATOM 0 HA THR A 22 -20.815 -2.239 -11.632 1.00 0.00 H new ATOM 0 HB THR A 22 -19.369 -3.830 -9.442 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.175 -2.065 -9.326 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.987 -4.617 -11.339 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.706 -4.992 -11.603 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.952 -3.624 -12.456 1.00 0.00 H new ATOM 342 N SER A 23 -22.322 -3.954 -9.321 1.00 0.00 N ATOM 343 CA SER A 23 -23.382 -4.990 -9.128 1.00 0.00 C ATOM 344 C SER A 23 -24.753 -4.426 -9.516 1.00 0.00 C ATOM 345 O SER A 23 -25.637 -5.153 -9.927 1.00 0.00 O ATOM 346 CB SER A 23 -23.344 -5.326 -7.638 1.00 0.00 C ATOM 347 OG SER A 23 -22.065 -5.851 -7.309 1.00 0.00 O ATOM 0 H SER A 23 -22.044 -3.457 -8.474 1.00 0.00 H new ATOM 0 HA SER A 23 -23.214 -5.870 -9.748 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.547 -4.433 -7.047 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.121 -6.051 -7.397 1.00 0.00 H new ATOM 0 HG SER A 23 -21.594 -5.222 -6.724 1.00 0.00 H new ATOM 353 N ARG A 24 -24.932 -3.135 -9.388 1.00 0.00 N ATOM 354 CA ARG A 24 -26.245 -2.517 -9.748 1.00 0.00 C ATOM 355 C ARG A 24 -26.409 -2.473 -11.269 1.00 0.00 C ATOM 356 O ARG A 24 -27.492 -2.664 -11.791 1.00 0.00 O ATOM 357 CB ARG A 24 -26.194 -1.100 -9.172 1.00 0.00 C ATOM 358 CG ARG A 24 -27.573 -0.448 -9.294 1.00 0.00 C ATOM 359 CD ARG A 24 -27.640 0.373 -10.583 1.00 0.00 C ATOM 360 NE ARG A 24 -27.209 1.743 -10.189 1.00 0.00 N ATOM 361 CZ ARG A 24 -28.101 2.678 -10.003 1.00 0.00 C ATOM 362 NH1 ARG A 24 -28.673 2.813 -8.838 1.00 0.00 N ATOM 363 NH2 ARG A 24 -28.418 3.480 -10.983 1.00 0.00 N ATOM 0 H ARG A 24 -24.225 -2.482 -9.050 1.00 0.00 H new ATOM 0 HA ARG A 24 -27.088 -3.084 -9.353 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.887 -1.132 -8.127 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.451 -0.506 -9.705 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -28.349 -1.213 -9.298 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -27.761 0.193 -8.433 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -26.986 -0.042 -11.350 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -28.649 0.380 -10.995 1.00 0.00 H new ATOM 0 HE ARG A 24 -26.218 1.951 -10.065 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -28.423 2.188 -8.072 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -29.370 3.544 -8.694 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -27.969 3.376 -11.893 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -29.115 4.211 -10.839 1.00 0.00 H new ATOM 377 N GLU A 25 -25.340 -2.223 -11.982 1.00 0.00 N ATOM 378 CA GLU A 25 -25.424 -2.165 -13.474 1.00 0.00 C ATOM 379 C GLU A 25 -25.782 -3.543 -14.036 1.00 0.00 C ATOM 380 O GLU A 25 -26.697 -3.682 -14.827 1.00 0.00 O ATOM 381 CB GLU A 25 -24.030 -1.742 -13.942 1.00 0.00 C ATOM 382 CG GLU A 25 -23.827 -0.254 -13.656 1.00 0.00 C ATOM 383 CD GLU A 25 -22.782 0.314 -14.618 1.00 0.00 C ATOM 384 OE1 GLU A 25 -23.034 0.297 -15.812 1.00 0.00 O ATOM 385 OE2 GLU A 25 -21.748 0.756 -14.146 1.00 0.00 O ATOM 0 H GLU A 25 -24.411 -2.056 -11.595 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.192 -1.471 -13.814 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.269 -2.329 -13.429 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.918 -1.937 -15.009 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.770 0.281 -13.770 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.503 -0.112 -12.625 1.00 0.00 H new ATOM 392 N GLU A 26 -25.067 -4.560 -13.629 1.00 0.00 N ATOM 393 CA GLU A 26 -25.358 -5.938 -14.133 1.00 0.00 C ATOM 394 C GLU A 26 -26.736 -6.405 -13.648 1.00 0.00 C ATOM 395 O GLU A 26 -27.353 -7.261 -14.252 1.00 0.00 O ATOM 396 CB GLU A 26 -24.258 -6.824 -13.546 1.00 0.00 C ATOM 397 CG GLU A 26 -24.363 -8.230 -14.140 1.00 0.00 C ATOM 398 CD GLU A 26 -23.378 -9.160 -13.428 1.00 0.00 C ATOM 399 OE1 GLU A 26 -22.186 -8.993 -13.626 1.00 0.00 O ATOM 400 OE2 GLU A 26 -23.833 -10.023 -12.695 1.00 0.00 O ATOM 0 H GLU A 26 -24.293 -4.497 -12.968 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.374 -5.977 -15.222 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.279 -6.398 -13.764 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.352 -6.868 -12.461 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -25.380 -8.607 -14.031 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -24.146 -8.202 -15.208 1.00 0.00 H new ATOM 407 N HIS A 27 -27.218 -5.852 -12.562 1.00 0.00 N ATOM 408 CA HIS A 27 -28.555 -6.266 -12.034 1.00 0.00 C ATOM 409 C HIS A 27 -29.675 -5.710 -12.920 1.00 0.00 C ATOM 410 O HIS A 27 -30.651 -6.381 -13.194 1.00 0.00 O ATOM 411 CB HIS A 27 -28.636 -5.664 -10.630 1.00 0.00 C ATOM 412 CG HIS A 27 -29.897 -6.129 -9.954 1.00 0.00 C ATOM 413 ND1 HIS A 27 -29.955 -7.311 -9.231 1.00 0.00 N ATOM 414 CD2 HIS A 27 -31.155 -5.584 -9.883 1.00 0.00 C ATOM 415 CE1 HIS A 27 -31.209 -7.436 -8.760 1.00 0.00 C ATOM 416 NE2 HIS A 27 -31.982 -6.410 -9.129 1.00 0.00 N ATOM 0 H HIS A 27 -26.743 -5.132 -12.018 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.670 -7.350 -12.020 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -27.766 -5.962 -10.045 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.623 -4.576 -10.689 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -31.457 -4.655 -10.343 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -31.550 -8.265 -8.157 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -32.967 -6.264 -8.906 1.00 0.00 H new ATOM 424 N LYS A 28 -29.538 -4.486 -13.365 1.00 0.00 N ATOM 425 CA LYS A 28 -30.594 -3.874 -14.233 1.00 0.00 C ATOM 426 C LYS A 28 -30.620 -4.540 -15.614 1.00 0.00 C ATOM 427 O LYS A 28 -31.602 -4.453 -16.329 1.00 0.00 O ATOM 428 CB LYS A 28 -30.200 -2.400 -14.362 1.00 0.00 C ATOM 429 CG LYS A 28 -31.422 -1.578 -14.774 1.00 0.00 C ATOM 430 CD LYS A 28 -31.029 -0.104 -14.897 1.00 0.00 C ATOM 431 CE LYS A 28 -32.280 0.770 -14.776 1.00 0.00 C ATOM 432 NZ LYS A 28 -31.769 2.121 -14.411 1.00 0.00 N ATOM 0 H LYS A 28 -28.740 -3.883 -13.165 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.589 -4.000 -13.806 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -29.805 -2.034 -13.414 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -29.407 -2.288 -15.102 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -31.814 -1.941 -15.724 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -32.216 -1.693 -14.036 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -30.312 0.158 -14.119 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -30.539 0.074 -15.854 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -32.835 0.797 -15.714 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -32.959 0.385 -14.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -32.568 2.779 -14.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -31.251 2.065 -13.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -31.131 2.464 -15.157 1.00 0.00 H new ATOM 446 N LYS A 29 -29.553 -5.197 -15.999 1.00 0.00 N ATOM 447 CA LYS A 29 -29.518 -5.861 -17.340 1.00 0.00 C ATOM 448 C LYS A 29 -30.297 -7.180 -17.316 1.00 0.00 C ATOM 449 O LYS A 29 -30.762 -7.650 -18.339 1.00 0.00 O ATOM 450 CB LYS A 29 -28.036 -6.122 -17.616 1.00 0.00 C ATOM 451 CG LYS A 29 -27.387 -4.852 -18.165 1.00 0.00 C ATOM 452 CD LYS A 29 -26.006 -5.188 -18.731 1.00 0.00 C ATOM 453 CE LYS A 29 -25.560 -4.079 -19.686 1.00 0.00 C ATOM 454 NZ LYS A 29 -24.076 -4.195 -19.744 1.00 0.00 N ATOM 0 H LYS A 29 -28.705 -5.302 -15.443 1.00 0.00 H new ATOM 0 HA LYS A 29 -29.978 -5.242 -18.110 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -27.534 -6.432 -16.700 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -27.927 -6.937 -18.331 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -28.015 -4.417 -18.943 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -27.296 -4.107 -17.375 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -25.286 -5.295 -17.920 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -26.039 -6.143 -19.256 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -26.005 -4.205 -20.673 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -25.865 -3.098 -19.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.695 -3.466 -20.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.680 -4.064 -18.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -23.815 -5.137 -20.100 1.00 0.00 H new ATOM 468 N LYS A 30 -30.438 -7.785 -16.163 1.00 0.00 N ATOM 469 CA LYS A 30 -31.182 -9.082 -16.077 1.00 0.00 C ATOM 470 C LYS A 30 -32.420 -8.954 -15.181 1.00 0.00 C ATOM 471 O LYS A 30 -32.969 -9.944 -14.738 1.00 0.00 O ATOM 472 CB LYS A 30 -30.186 -10.085 -15.479 1.00 0.00 C ATOM 473 CG LYS A 30 -29.645 -9.562 -14.146 1.00 0.00 C ATOM 474 CD LYS A 30 -29.386 -10.737 -13.202 1.00 0.00 C ATOM 475 CE LYS A 30 -28.098 -11.451 -13.618 1.00 0.00 C ATOM 476 NZ LYS A 30 -28.110 -12.736 -12.862 1.00 0.00 N ATOM 0 H LYS A 30 -30.071 -7.438 -15.277 1.00 0.00 H new ATOM 0 HA LYS A 30 -31.543 -9.398 -17.056 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -30.674 -11.048 -15.329 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -29.363 -10.250 -16.174 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -28.723 -9.004 -14.310 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -30.360 -8.872 -13.697 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -29.302 -10.381 -12.175 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -30.225 -11.432 -13.230 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -28.073 -11.626 -14.694 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -27.219 -10.856 -13.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.257 -13.283 -13.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -28.127 -12.538 -11.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -28.955 -13.284 -13.123 1.00 0.00 H new ATOM 490 N HIS A 31 -32.871 -7.750 -14.919 1.00 0.00 N ATOM 491 CA HIS A 31 -34.080 -7.571 -14.057 1.00 0.00 C ATOM 492 C HIS A 31 -34.919 -6.383 -14.557 1.00 0.00 C ATOM 493 O HIS A 31 -34.853 -5.307 -13.995 1.00 0.00 O ATOM 494 CB HIS A 31 -33.535 -7.296 -12.654 1.00 0.00 C ATOM 495 CG HIS A 31 -32.840 -8.526 -12.141 1.00 0.00 C ATOM 496 ND1 HIS A 31 -33.419 -9.783 -12.208 1.00 0.00 N ATOM 497 CD2 HIS A 31 -31.609 -8.712 -11.563 1.00 0.00 C ATOM 498 CE1 HIS A 31 -32.543 -10.661 -11.688 1.00 0.00 C ATOM 499 NE2 HIS A 31 -31.424 -10.060 -11.277 1.00 0.00 N ATOM 0 H HIS A 31 -32.454 -6.886 -15.265 1.00 0.00 H new ATOM 0 HA HIS A 31 -34.730 -8.446 -14.073 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -32.841 -6.456 -12.679 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.348 -7.018 -11.984 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -34.342 -10.002 -12.583 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -30.892 -7.930 -11.361 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -32.723 -11.723 -11.612 1.00 0.00 H new ATOM 507 N PRO A 32 -35.690 -6.610 -15.600 1.00 0.00 N ATOM 508 CA PRO A 32 -36.539 -5.527 -16.156 1.00 0.00 C ATOM 509 C PRO A 32 -37.735 -5.262 -15.236 1.00 0.00 C ATOM 510 O PRO A 32 -38.096 -4.128 -14.985 1.00 0.00 O ATOM 511 CB PRO A 32 -37.003 -6.082 -17.499 1.00 0.00 C ATOM 512 CG PRO A 32 -36.933 -7.569 -17.352 1.00 0.00 C ATOM 513 CD PRO A 32 -35.846 -7.868 -16.354 1.00 0.00 C ATOM 0 HA PRO A 32 -36.011 -4.579 -16.254 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -38.017 -5.756 -17.731 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -36.363 -5.736 -18.311 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -37.889 -7.967 -17.011 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -36.715 -8.040 -18.310 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -36.124 -8.693 -15.698 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -34.918 -8.153 -16.850 1.00 0.00 H new ATOM 521 N ASP A 33 -38.351 -6.304 -14.736 1.00 0.00 N ATOM 522 CA ASP A 33 -39.527 -6.125 -13.833 1.00 0.00 C ATOM 523 C ASP A 33 -39.162 -6.523 -12.398 1.00 0.00 C ATOM 524 O ASP A 33 -39.673 -7.489 -11.861 1.00 0.00 O ATOM 525 CB ASP A 33 -40.613 -7.051 -14.396 1.00 0.00 C ATOM 526 CG ASP A 33 -40.112 -8.499 -14.416 1.00 0.00 C ATOM 527 OD1 ASP A 33 -39.323 -8.820 -15.291 1.00 0.00 O ATOM 528 OD2 ASP A 33 -40.524 -9.259 -13.556 1.00 0.00 O ATOM 0 H ASP A 33 -38.089 -7.273 -14.915 1.00 0.00 H new ATOM 0 HA ASP A 33 -39.862 -5.088 -13.795 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -41.515 -6.978 -13.788 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.882 -6.737 -15.405 1.00 0.00 H new ATOM 533 N SER A 34 -38.281 -5.781 -11.776 1.00 0.00 N ATOM 534 CA SER A 34 -37.873 -6.106 -10.376 1.00 0.00 C ATOM 535 C SER A 34 -37.412 -4.837 -9.653 1.00 0.00 C ATOM 536 O SER A 34 -36.561 -4.113 -10.135 1.00 0.00 O ATOM 537 CB SER A 34 -36.716 -7.093 -10.518 1.00 0.00 C ATOM 538 OG SER A 34 -36.670 -7.932 -9.372 1.00 0.00 O ATOM 0 H SER A 34 -37.826 -4.962 -12.179 1.00 0.00 H new ATOM 0 HA SER A 34 -38.694 -6.524 -9.793 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.844 -7.694 -11.418 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.775 -6.554 -10.626 1.00 0.00 H new ATOM 0 HG SER A 34 -35.929 -8.568 -9.461 1.00 0.00 H new ATOM 544 N SER A 35 -37.969 -4.565 -8.501 1.00 0.00 N ATOM 545 CA SER A 35 -37.571 -3.346 -7.738 1.00 0.00 C ATOM 546 C SER A 35 -36.301 -3.620 -6.929 1.00 0.00 C ATOM 547 O SER A 35 -36.203 -4.611 -6.231 1.00 0.00 O ATOM 548 CB SER A 35 -38.749 -3.058 -6.807 1.00 0.00 C ATOM 549 OG SER A 35 -39.899 -2.751 -7.584 1.00 0.00 O ATOM 0 H SER A 35 -38.685 -5.138 -8.055 1.00 0.00 H new ATOM 0 HA SER A 35 -37.354 -2.502 -8.393 1.00 0.00 H new ATOM 0 HB2 SER A 35 -38.945 -3.922 -6.172 1.00 0.00 H new ATOM 0 HB3 SER A 35 -38.510 -2.225 -6.146 1.00 0.00 H new ATOM 0 HG SER A 35 -40.656 -2.568 -6.989 1.00 0.00 H new ATOM 555 N VAL A 36 -35.331 -2.746 -7.019 1.00 0.00 N ATOM 556 CA VAL A 36 -34.063 -2.947 -6.257 1.00 0.00 C ATOM 557 C VAL A 36 -33.546 -1.607 -5.720 1.00 0.00 C ATOM 558 O VAL A 36 -32.492 -1.141 -6.109 1.00 0.00 O ATOM 559 CB VAL A 36 -33.082 -3.555 -7.270 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.826 -2.574 -8.419 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.759 -3.870 -6.568 1.00 0.00 C ATOM 0 H VAL A 36 -35.363 -1.900 -7.589 1.00 0.00 H new ATOM 0 HA VAL A 36 -34.197 -3.594 -5.390 1.00 0.00 H new ATOM 0 HB VAL A 36 -33.514 -4.469 -7.676 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -32.129 -3.019 -9.129 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -33.766 -2.352 -8.924 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -32.401 -1.652 -8.022 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -31.061 -4.302 -7.285 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -31.337 -2.952 -6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.936 -4.581 -5.761 1.00 0.00 H new ATOM 571 N ASN A 37 -34.277 -0.990 -4.822 1.00 0.00 N ATOM 572 CA ASN A 37 -33.822 0.319 -4.251 1.00 0.00 C ATOM 573 C ASN A 37 -32.457 0.142 -3.578 1.00 0.00 C ATOM 574 O ASN A 37 -31.822 -0.888 -3.724 1.00 0.00 O ATOM 575 CB ASN A 37 -34.892 0.720 -3.228 1.00 0.00 C ATOM 576 CG ASN A 37 -35.033 -0.368 -2.160 1.00 0.00 C ATOM 577 OD1 ASN A 37 -34.205 -0.480 -1.278 1.00 0.00 O ATOM 578 ND2 ASN A 37 -36.055 -1.178 -2.203 1.00 0.00 N ATOM 0 H ASN A 37 -35.166 -1.335 -4.460 1.00 0.00 H new ATOM 0 HA ASN A 37 -33.706 1.086 -5.016 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -34.622 1.667 -2.760 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -35.847 0.873 -3.730 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -36.159 -1.906 -1.496 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -36.750 -1.083 -2.944 1.00 0.00 H new ATOM 585 N PHE A 38 -31.995 1.129 -2.853 1.00 0.00 N ATOM 586 CA PHE A 38 -30.665 0.993 -2.191 1.00 0.00 C ATOM 587 C PHE A 38 -30.718 -0.052 -1.081 1.00 0.00 C ATOM 588 O PHE A 38 -29.827 -0.847 -0.954 1.00 0.00 O ATOM 589 CB PHE A 38 -30.332 2.364 -1.608 1.00 0.00 C ATOM 590 CG PHE A 38 -30.070 3.337 -2.732 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.837 3.314 -3.394 1.00 0.00 C ATOM 592 CD2 PHE A 38 -31.055 4.255 -3.115 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.587 4.210 -4.439 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.804 5.151 -4.162 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.569 5.127 -4.824 1.00 0.00 C ATOM 0 H PHE A 38 -32.476 2.014 -2.693 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.907 0.667 -2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -31.157 2.719 -0.990 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -29.457 2.294 -0.962 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -28.078 2.604 -3.098 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -32.006 4.272 -2.604 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.635 4.193 -4.948 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.562 5.860 -4.459 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.376 5.817 -5.632 1.00 0.00 H new ATOM 605 N ALA A 39 -31.743 -0.053 -0.269 1.00 0.00 N ATOM 606 CA ALA A 39 -31.809 -1.058 0.843 1.00 0.00 C ATOM 607 C ALA A 39 -32.024 -2.467 0.302 1.00 0.00 C ATOM 608 O ALA A 39 -31.361 -3.397 0.720 1.00 0.00 O ATOM 609 CB ALA A 39 -32.985 -0.624 1.719 1.00 0.00 C ATOM 0 H ALA A 39 -32.532 0.591 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 39 -30.876 -1.090 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -33.092 -1.316 2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -32.803 0.380 2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -33.900 -0.626 1.127 1.00 0.00 H new ATOM 615 N GLU A 40 -32.930 -2.639 -0.622 1.00 0.00 N ATOM 616 CA GLU A 40 -33.163 -4.002 -1.184 1.00 0.00 C ATOM 617 C GLU A 40 -31.890 -4.521 -1.866 1.00 0.00 C ATOM 618 O GLU A 40 -31.761 -5.704 -2.125 1.00 0.00 O ATOM 619 CB GLU A 40 -34.293 -3.837 -2.205 1.00 0.00 C ATOM 620 CG GLU A 40 -35.613 -4.314 -1.594 1.00 0.00 C ATOM 621 CD GLU A 40 -36.750 -4.078 -2.590 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.734 -4.703 -3.638 1.00 0.00 O ATOM 623 OE2 GLU A 40 -37.619 -3.276 -2.288 1.00 0.00 O ATOM 0 H GLU A 40 -33.516 -1.900 -1.011 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.425 -4.722 -0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -34.376 -2.792 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -34.070 -4.410 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -35.549 -5.373 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -35.811 -3.778 -0.666 1.00 0.00 H new ATOM 630 N PHE A 41 -30.948 -3.651 -2.164 1.00 0.00 N ATOM 631 CA PHE A 41 -29.696 -4.107 -2.831 1.00 0.00 C ATOM 632 C PHE A 41 -28.490 -3.961 -1.895 1.00 0.00 C ATOM 633 O PHE A 41 -27.668 -4.851 -1.787 1.00 0.00 O ATOM 634 CB PHE A 41 -29.555 -3.202 -4.054 1.00 0.00 C ATOM 635 CG PHE A 41 -28.552 -3.797 -5.010 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.874 -4.949 -5.736 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.298 -3.195 -5.173 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.943 -5.500 -6.624 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.367 -3.746 -6.061 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.691 -4.899 -6.786 1.00 0.00 C ATOM 0 H PHE A 41 -30.998 -2.650 -1.972 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.737 -5.161 -3.104 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.520 -3.088 -4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -29.234 -2.206 -3.747 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.841 -5.413 -5.611 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -27.049 -2.305 -4.613 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.192 -6.389 -7.184 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.400 -3.282 -6.187 1.00 0.00 H new ATOM 0 HZ PHE A 41 -25.973 -5.325 -7.471 1.00 0.00 H new ATOM 650 N SER A 42 -28.388 -2.852 -1.215 1.00 0.00 N ATOM 651 CA SER A 42 -27.247 -2.633 -0.268 1.00 0.00 C ATOM 652 C SER A 42 -27.201 -3.758 0.776 1.00 0.00 C ATOM 653 O SER A 42 -26.173 -4.021 1.372 1.00 0.00 O ATOM 654 CB SER A 42 -27.537 -1.285 0.400 1.00 0.00 C ATOM 655 OG SER A 42 -28.689 -1.406 1.222 1.00 0.00 O ATOM 0 H SER A 42 -29.050 -2.078 -1.273 1.00 0.00 H new ATOM 0 HA SER A 42 -26.282 -2.634 -0.775 1.00 0.00 H new ATOM 0 HB2 SER A 42 -26.681 -0.971 0.998 1.00 0.00 H new ATOM 0 HB3 SER A 42 -27.696 -0.518 -0.358 1.00 0.00 H new ATOM 0 HG SER A 42 -29.470 -1.605 0.664 1.00 0.00 H new ATOM 661 N LYS A 43 -28.310 -4.422 0.996 1.00 0.00 N ATOM 662 CA LYS A 43 -28.345 -5.533 1.992 1.00 0.00 C ATOM 663 C LYS A 43 -27.827 -6.833 1.365 1.00 0.00 C ATOM 664 O LYS A 43 -27.358 -7.717 2.056 1.00 0.00 O ATOM 665 CB LYS A 43 -29.825 -5.675 2.363 1.00 0.00 C ATOM 666 CG LYS A 43 -30.097 -4.953 3.684 1.00 0.00 C ATOM 667 CD LYS A 43 -29.791 -5.894 4.852 1.00 0.00 C ATOM 668 CE LYS A 43 -30.872 -6.973 4.934 1.00 0.00 C ATOM 669 NZ LYS A 43 -30.581 -7.714 6.193 1.00 0.00 N ATOM 0 H LYS A 43 -29.196 -4.239 0.525 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.717 -5.329 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.449 -5.257 1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -30.088 -6.729 2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.481 -4.056 3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -31.137 -4.629 3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -28.812 -6.354 4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -29.752 -5.332 5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -31.869 -6.532 4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -30.836 -7.635 4.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -31.282 -8.472 6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -29.628 -8.128 6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -30.630 -7.060 7.000 1.00 0.00 H new ATOM 683 N LYS A 44 -27.919 -6.958 0.063 1.00 0.00 N ATOM 684 CA LYS A 44 -27.444 -8.204 -0.612 1.00 0.00 C ATOM 685 C LYS A 44 -25.939 -8.138 -0.888 1.00 0.00 C ATOM 686 O LYS A 44 -25.224 -9.101 -0.685 1.00 0.00 O ATOM 687 CB LYS A 44 -28.224 -8.265 -1.924 1.00 0.00 C ATOM 688 CG LYS A 44 -28.102 -9.668 -2.522 1.00 0.00 C ATOM 689 CD LYS A 44 -28.792 -10.681 -1.606 1.00 0.00 C ATOM 690 CE LYS A 44 -29.206 -11.908 -2.423 1.00 0.00 C ATOM 691 NZ LYS A 44 -27.939 -12.651 -2.670 1.00 0.00 N ATOM 0 H LYS A 44 -28.303 -6.249 -0.561 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.607 -9.086 0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.272 -8.022 -1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.838 -7.524 -2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.555 -9.692 -3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -27.051 -9.931 -2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -28.119 -10.977 -0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -29.667 -10.229 -1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -29.924 -12.521 -1.878 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -29.682 -11.617 -3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -27.758 -12.698 -3.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -27.151 -12.160 -2.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -28.022 -13.615 -2.289 1.00 0.00 H new ATOM 705 N CYS A 45 -25.453 -7.014 -1.357 1.00 0.00 N ATOM 706 CA CYS A 45 -23.990 -6.892 -1.656 1.00 0.00 C ATOM 707 C CYS A 45 -23.160 -7.169 -0.394 1.00 0.00 C ATOM 708 O CYS A 45 -22.039 -7.635 -0.469 1.00 0.00 O ATOM 709 CB CYS A 45 -23.789 -5.448 -2.143 1.00 0.00 C ATOM 710 SG CYS A 45 -24.274 -4.274 -0.848 1.00 0.00 S ATOM 0 H CYS A 45 -26.004 -6.177 -1.546 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.665 -7.613 -2.406 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -22.745 -5.290 -2.414 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -24.381 -5.274 -3.041 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.100 -4.851 -0.026 1.00 0.00 H new ATOM 716 N SER A 46 -23.709 -6.883 0.760 1.00 0.00 N ATOM 717 CA SER A 46 -22.961 -7.126 2.031 1.00 0.00 C ATOM 718 C SER A 46 -22.767 -8.628 2.249 1.00 0.00 C ATOM 719 O SER A 46 -21.767 -9.061 2.792 1.00 0.00 O ATOM 720 CB SER A 46 -23.836 -6.533 3.136 1.00 0.00 C ATOM 721 OG SER A 46 -25.110 -7.166 3.116 1.00 0.00 O ATOM 0 H SER A 46 -24.644 -6.491 0.877 1.00 0.00 H new ATOM 0 HA SER A 46 -21.969 -6.674 2.016 1.00 0.00 H new ATOM 0 HB2 SER A 46 -23.362 -6.675 4.107 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.948 -5.459 2.990 1.00 0.00 H new ATOM 0 HG SER A 46 -25.702 -6.690 2.497 1.00 0.00 H new ATOM 727 N GLU A 47 -23.716 -9.425 1.827 1.00 0.00 N ATOM 728 CA GLU A 47 -23.593 -10.905 2.004 1.00 0.00 C ATOM 729 C GLU A 47 -22.511 -11.457 1.074 1.00 0.00 C ATOM 730 O GLU A 47 -21.815 -12.397 1.408 1.00 0.00 O ATOM 731 CB GLU A 47 -24.964 -11.471 1.629 1.00 0.00 C ATOM 732 CG GLU A 47 -25.895 -11.402 2.841 1.00 0.00 C ATOM 733 CD GLU A 47 -25.600 -12.572 3.780 1.00 0.00 C ATOM 734 OE1 GLU A 47 -24.595 -12.513 4.470 1.00 0.00 O ATOM 735 OE2 GLU A 47 -26.382 -13.507 3.793 1.00 0.00 O ATOM 0 H GLU A 47 -24.572 -9.115 1.367 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.309 -11.176 3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.388 -10.905 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.863 -12.503 1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.756 -10.457 3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.935 -11.436 2.516 1.00 0.00 H new ATOM 742 N ARG A 48 -22.367 -10.875 -0.090 1.00 0.00 N ATOM 743 CA ARG A 48 -21.330 -11.356 -1.053 1.00 0.00 C ATOM 744 C ARG A 48 -20.008 -10.617 -0.816 1.00 0.00 C ATOM 745 O ARG A 48 -18.941 -11.138 -1.080 1.00 0.00 O ATOM 746 CB ARG A 48 -21.892 -11.030 -2.443 1.00 0.00 C ATOM 747 CG ARG A 48 -22.247 -12.326 -3.176 1.00 0.00 C ATOM 748 CD ARG A 48 -20.962 -13.038 -3.605 1.00 0.00 C ATOM 749 NE ARG A 48 -21.248 -14.488 -3.429 1.00 0.00 N ATOM 750 CZ ARG A 48 -20.597 -15.372 -4.135 1.00 0.00 C ATOM 751 NH1 ARG A 48 -19.445 -15.822 -3.716 1.00 0.00 N ATOM 752 NH2 ARG A 48 -21.097 -15.807 -5.258 1.00 0.00 N ATOM 0 H ARG A 48 -22.925 -10.085 -0.416 1.00 0.00 H new ATOM 0 HA ARG A 48 -21.123 -12.420 -0.941 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.777 -10.401 -2.349 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.159 -10.465 -3.019 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -22.835 -12.974 -2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -22.862 -12.106 -4.048 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -20.710 -12.808 -4.640 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -20.115 -12.726 -2.994 1.00 0.00 H new ATOM 0 HE ARG A 48 -21.953 -14.791 -2.757 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.054 -15.483 -2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -18.936 -16.513 -4.268 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -21.997 -15.456 -5.585 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -20.588 -16.498 -5.809 1.00 0.00 H new ATOM 766 N TRP A 49 -20.075 -9.407 -0.320 1.00 0.00 N ATOM 767 CA TRP A 49 -18.825 -8.626 -0.064 1.00 0.00 C ATOM 768 C TRP A 49 -18.111 -9.159 1.181 1.00 0.00 C ATOM 769 O TRP A 49 -16.897 -9.148 1.262 1.00 0.00 O ATOM 770 CB TRP A 49 -19.294 -7.186 0.159 1.00 0.00 C ATOM 771 CG TRP A 49 -18.108 -6.293 0.338 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.766 -5.679 1.494 1.00 0.00 C ATOM 773 CD2 TRP A 49 -17.105 -5.904 -0.645 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.617 -4.938 1.283 1.00 0.00 N ATOM 775 CE2 TRP A 49 -16.171 -5.044 -0.019 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.916 -6.211 -2.004 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -15.089 -4.508 -0.717 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.828 -5.672 -2.711 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.916 -4.822 -2.068 1.00 0.00 C ATOM 0 H TRP A 49 -20.942 -8.925 -0.081 1.00 0.00 H new ATOM 0 HA TRP A 49 -18.117 -8.700 -0.890 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.889 -6.851 -0.691 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.937 -7.134 1.038 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.302 -5.755 2.428 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.155 -4.381 2.002 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.612 -6.866 -2.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.389 -3.855 -0.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.693 -5.913 -3.755 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -14.081 -4.411 -2.616 1.00 0.00 H new ATOM 790 N LYS A 50 -18.857 -9.623 2.153 1.00 0.00 N ATOM 791 CA LYS A 50 -18.229 -10.157 3.399 1.00 0.00 C ATOM 792 C LYS A 50 -17.797 -11.612 3.198 1.00 0.00 C ATOM 793 O LYS A 50 -16.865 -12.082 3.824 1.00 0.00 O ATOM 794 CB LYS A 50 -19.320 -10.062 4.465 1.00 0.00 C ATOM 795 CG LYS A 50 -19.291 -8.673 5.105 1.00 0.00 C ATOM 796 CD LYS A 50 -20.670 -8.347 5.681 1.00 0.00 C ATOM 797 CE LYS A 50 -20.850 -9.073 7.016 1.00 0.00 C ATOM 798 NZ LYS A 50 -21.964 -8.355 7.697 1.00 0.00 N ATOM 0 H LYS A 50 -19.876 -9.655 2.136 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.335 -9.600 3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.297 -10.247 4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.167 -10.828 5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.539 -8.640 5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.009 -7.925 4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.771 -7.271 5.823 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.449 -8.651 4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -21.093 -10.125 6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.937 -9.039 7.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -22.147 -8.795 8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -21.702 -7.358 7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -22.822 -8.410 7.111 1.00 0.00 H new ATOM 812 N THR A 51 -18.467 -12.325 2.328 1.00 0.00 N ATOM 813 CA THR A 51 -18.101 -13.753 2.081 1.00 0.00 C ATOM 814 C THR A 51 -16.917 -13.840 1.112 1.00 0.00 C ATOM 815 O THR A 51 -16.166 -14.796 1.124 1.00 0.00 O ATOM 816 CB THR A 51 -19.349 -14.383 1.461 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.805 -13.568 0.391 1.00 0.00 O ATOM 818 CG2 THR A 51 -20.445 -14.498 2.521 1.00 0.00 C ATOM 0 H THR A 51 -19.253 -11.979 1.777 1.00 0.00 H new ATOM 0 HA THR A 51 -17.799 -14.263 2.996 1.00 0.00 H new ATOM 0 HB THR A 51 -19.107 -15.377 1.084 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.544 -13.004 0.701 1.00 0.00 H new ATOM 0 HG21 THR A 51 -21.334 -14.947 2.078 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.093 -15.123 3.342 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.690 -13.506 2.900 1.00 0.00 H new ATOM 826 N MET A 52 -16.747 -12.848 0.271 1.00 0.00 N ATOM 827 CA MET A 52 -15.610 -12.870 -0.704 1.00 0.00 C ATOM 828 C MET A 52 -14.273 -12.949 0.040 1.00 0.00 C ATOM 829 O MET A 52 -14.203 -12.716 1.233 1.00 0.00 O ATOM 830 CB MET A 52 -15.714 -11.552 -1.476 1.00 0.00 C ATOM 831 CG MET A 52 -16.665 -11.728 -2.662 1.00 0.00 C ATOM 832 SD MET A 52 -17.235 -10.105 -3.223 1.00 0.00 S ATOM 833 CE MET A 52 -15.762 -9.663 -4.177 1.00 0.00 C ATOM 0 H MET A 52 -17.346 -12.024 0.217 1.00 0.00 H new ATOM 0 HA MET A 52 -15.658 -13.734 -1.367 1.00 0.00 H new ATOM 0 HB2 MET A 52 -16.077 -10.761 -0.819 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.729 -11.246 -1.828 1.00 0.00 H new ATOM 0 HG2 MET A 52 -16.158 -12.248 -3.475 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.516 -12.344 -2.371 1.00 0.00 H new ATOM 0 HE1 MET A 52 -15.876 -8.655 -4.577 1.00 0.00 H new ATOM 0 HE2 MET A 52 -14.885 -9.699 -3.530 1.00 0.00 H new ATOM 0 HE3 MET A 52 -15.636 -10.368 -4.999 1.00 0.00 H new ATOM 843 N SER A 53 -13.216 -13.279 -0.657 1.00 0.00 N ATOM 844 CA SER A 53 -11.879 -13.380 0.001 1.00 0.00 C ATOM 845 C SER A 53 -11.052 -12.123 -0.282 1.00 0.00 C ATOM 846 O SER A 53 -11.468 -11.249 -1.020 1.00 0.00 O ATOM 847 CB SER A 53 -11.219 -14.605 -0.628 1.00 0.00 C ATOM 848 OG SER A 53 -10.010 -14.894 0.063 1.00 0.00 O ATOM 0 H SER A 53 -13.222 -13.483 -1.656 1.00 0.00 H new ATOM 0 HA SER A 53 -11.960 -13.470 1.084 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.893 -15.461 -0.579 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.014 -14.421 -1.682 1.00 0.00 H new ATOM 0 HG SER A 53 -9.585 -15.681 -0.337 1.00 0.00 H new ATOM 854 N ALA A 54 -9.884 -12.030 0.301 1.00 0.00 N ATOM 855 CA ALA A 54 -9.018 -10.832 0.072 1.00 0.00 C ATOM 856 C ALA A 54 -8.479 -10.826 -1.364 1.00 0.00 C ATOM 857 O ALA A 54 -8.145 -9.786 -1.901 1.00 0.00 O ATOM 858 CB ALA A 54 -7.868 -10.971 1.072 1.00 0.00 C ATOM 0 H ALA A 54 -9.491 -12.733 0.927 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.568 -9.901 0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.188 -10.126 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.268 -10.988 2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.328 -11.898 0.879 1.00 0.00 H new ATOM 864 N LYS A 55 -8.394 -11.976 -1.987 1.00 0.00 N ATOM 865 CA LYS A 55 -7.879 -12.036 -3.389 1.00 0.00 C ATOM 866 C LYS A 55 -8.873 -11.363 -4.336 1.00 0.00 C ATOM 867 O LYS A 55 -8.498 -10.787 -5.340 1.00 0.00 O ATOM 868 CB LYS A 55 -7.754 -13.527 -3.713 1.00 0.00 C ATOM 869 CG LYS A 55 -6.470 -14.079 -3.091 1.00 0.00 C ATOM 870 CD LYS A 55 -6.583 -15.598 -2.950 1.00 0.00 C ATOM 871 CE LYS A 55 -6.122 -16.267 -4.246 1.00 0.00 C ATOM 872 NZ LYS A 55 -7.373 -16.510 -5.019 1.00 0.00 N ATOM 0 H LYS A 55 -8.659 -12.875 -1.585 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.925 -11.520 -3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.619 -14.067 -3.328 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.741 -13.675 -4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.613 -13.824 -3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.301 -13.624 -2.115 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.974 -15.942 -2.114 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.613 -15.878 -2.731 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.435 -15.626 -4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.595 -17.200 -4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.606 -17.523 -4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.152 -15.964 -4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.235 -16.212 -6.006 1.00 0.00 H new ATOM 886 N GLU A 56 -10.139 -11.433 -4.016 1.00 0.00 N ATOM 887 CA GLU A 56 -11.175 -10.799 -4.883 1.00 0.00 C ATOM 888 C GLU A 56 -11.503 -9.399 -4.362 1.00 0.00 C ATOM 889 O GLU A 56 -11.656 -8.463 -5.124 1.00 0.00 O ATOM 890 CB GLU A 56 -12.392 -11.714 -4.770 1.00 0.00 C ATOM 891 CG GLU A 56 -12.205 -12.922 -5.690 1.00 0.00 C ATOM 892 CD GLU A 56 -13.550 -13.615 -5.904 1.00 0.00 C ATOM 893 OE1 GLU A 56 -14.419 -13.008 -6.508 1.00 0.00 O ATOM 894 OE2 GLU A 56 -13.691 -14.743 -5.459 1.00 0.00 O ATOM 0 H GLU A 56 -10.501 -11.905 -3.187 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.846 -10.686 -5.916 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.518 -12.044 -3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.296 -11.171 -5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.792 -12.603 -6.647 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.491 -13.619 -5.252 1.00 0.00 H new ATOM 901 N LYS A 57 -11.607 -9.255 -3.066 1.00 0.00 N ATOM 902 CA LYS A 57 -11.918 -7.916 -2.477 1.00 0.00 C ATOM 903 C LYS A 57 -10.758 -6.942 -2.719 1.00 0.00 C ATOM 904 O LYS A 57 -10.931 -5.739 -2.674 1.00 0.00 O ATOM 905 CB LYS A 57 -12.102 -8.168 -0.979 1.00 0.00 C ATOM 906 CG LYS A 57 -13.581 -8.421 -0.681 1.00 0.00 C ATOM 907 CD LYS A 57 -13.718 -9.105 0.680 1.00 0.00 C ATOM 908 CE LYS A 57 -13.513 -8.075 1.793 1.00 0.00 C ATOM 909 NZ LYS A 57 -13.474 -8.872 3.052 1.00 0.00 N ATOM 0 H LYS A 57 -11.490 -10.008 -2.388 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.805 -7.469 -2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.506 -9.026 -0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.747 -7.309 -0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.130 -7.479 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.018 -9.046 -1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.703 -9.563 0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.984 -9.906 0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.587 -7.518 1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.324 -7.347 1.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.336 -8.235 3.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.371 -9.386 3.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.688 -9.552 3.008 1.00 0.00 H new ATOM 923 N SER A 58 -9.575 -7.453 -2.971 1.00 0.00 N ATOM 924 CA SER A 58 -8.403 -6.555 -3.213 1.00 0.00 C ATOM 925 C SER A 58 -8.515 -5.897 -4.591 1.00 0.00 C ATOM 926 O SER A 58 -8.038 -4.798 -4.801 1.00 0.00 O ATOM 927 CB SER A 58 -7.178 -7.468 -3.153 1.00 0.00 C ATOM 928 OG SER A 58 -7.397 -8.604 -3.979 1.00 0.00 O ATOM 0 H SER A 58 -9.372 -8.451 -3.019 1.00 0.00 H new ATOM 0 HA SER A 58 -8.345 -5.750 -2.480 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.291 -6.928 -3.485 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.994 -7.781 -2.125 1.00 0.00 H new ATOM 0 HG SER A 58 -7.417 -9.412 -3.425 1.00 0.00 H new ATOM 934 N LYS A 59 -9.142 -6.563 -5.528 1.00 0.00 N ATOM 935 CA LYS A 59 -9.287 -5.979 -6.897 1.00 0.00 C ATOM 936 C LYS A 59 -10.090 -4.676 -6.831 1.00 0.00 C ATOM 937 O LYS A 59 -9.907 -3.785 -7.640 1.00 0.00 O ATOM 938 CB LYS A 59 -10.045 -7.031 -7.710 1.00 0.00 C ATOM 939 CG LYS A 59 -9.957 -6.685 -9.198 1.00 0.00 C ATOM 940 CD LYS A 59 -10.458 -7.868 -10.030 1.00 0.00 C ATOM 941 CE LYS A 59 -10.763 -7.398 -11.454 1.00 0.00 C ATOM 942 NZ LYS A 59 -10.706 -8.632 -12.287 1.00 0.00 N ATOM 0 H LYS A 59 -9.560 -7.485 -5.404 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.322 -5.741 -7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.623 -8.019 -7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.088 -7.068 -7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.554 -5.798 -9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.927 -6.448 -9.467 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.706 -8.657 -10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.354 -8.292 -9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.744 -6.927 -11.513 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.035 -6.660 -11.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.905 -8.391 -13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.758 -9.055 -12.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.415 -9.313 -11.947 1.00 0.00 H new ATOM 956 N PHE A 60 -10.974 -4.563 -5.875 1.00 0.00 N ATOM 957 CA PHE A 60 -11.796 -3.322 -5.747 1.00 0.00 C ATOM 958 C PHE A 60 -11.015 -2.247 -4.985 1.00 0.00 C ATOM 959 O PHE A 60 -11.209 -1.064 -5.194 1.00 0.00 O ATOM 960 CB PHE A 60 -13.035 -3.746 -4.959 1.00 0.00 C ATOM 961 CG PHE A 60 -13.915 -4.609 -5.833 1.00 0.00 C ATOM 962 CD1 PHE A 60 -14.683 -4.023 -6.846 1.00 0.00 C ATOM 963 CD2 PHE A 60 -13.961 -5.993 -5.630 1.00 0.00 C ATOM 964 CE1 PHE A 60 -15.498 -4.822 -7.657 1.00 0.00 C ATOM 965 CE2 PHE A 60 -14.776 -6.792 -6.441 1.00 0.00 C ATOM 966 CZ PHE A 60 -15.544 -6.206 -7.454 1.00 0.00 C ATOM 0 H PHE A 60 -11.163 -5.279 -5.174 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.057 -2.897 -6.716 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.740 -4.296 -4.065 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.586 -2.867 -4.625 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.647 -2.955 -7.002 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.368 -6.444 -4.848 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -16.091 -4.371 -8.439 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -14.812 -7.860 -6.285 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.173 -6.822 -8.080 1.00 0.00 H new ATOM 976 N GLU A 61 -10.137 -2.652 -4.103 1.00 0.00 N ATOM 977 CA GLU A 61 -9.339 -1.658 -3.323 1.00 0.00 C ATOM 978 C GLU A 61 -8.233 -1.063 -4.199 1.00 0.00 C ATOM 979 O GLU A 61 -7.816 0.064 -4.005 1.00 0.00 O ATOM 980 CB GLU A 61 -8.735 -2.450 -2.161 1.00 0.00 C ATOM 981 CG GLU A 61 -9.755 -2.544 -1.024 1.00 0.00 C ATOM 982 CD GLU A 61 -9.715 -1.258 -0.195 1.00 0.00 C ATOM 983 OE1 GLU A 61 -10.215 -0.253 -0.673 1.00 0.00 O ATOM 984 OE2 GLU A 61 -9.186 -1.300 0.903 1.00 0.00 O ATOM 0 H GLU A 61 -9.938 -3.629 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.950 -0.826 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.453 -3.449 -2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.825 -1.963 -1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.755 -2.697 -1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.533 -3.404 -0.392 1.00 0.00 H new ATOM 991 N ASP A 62 -7.757 -1.815 -5.160 1.00 0.00 N ATOM 992 CA ASP A 62 -6.678 -1.299 -6.056 1.00 0.00 C ATOM 993 C ASP A 62 -7.260 -0.313 -7.072 1.00 0.00 C ATOM 994 O ASP A 62 -6.584 0.587 -7.533 1.00 0.00 O ATOM 995 CB ASP A 62 -6.121 -2.534 -6.766 1.00 0.00 C ATOM 996 CG ASP A 62 -4.750 -2.209 -7.361 1.00 0.00 C ATOM 997 OD1 ASP A 62 -3.820 -2.036 -6.592 1.00 0.00 O ATOM 998 OD2 ASP A 62 -4.655 -2.137 -8.575 1.00 0.00 O ATOM 0 H ASP A 62 -8.070 -2.765 -5.362 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.905 -0.766 -5.502 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.036 -3.363 -6.063 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.804 -2.852 -7.553 1.00 0.00 H new ATOM 1003 N MET A 63 -8.511 -0.478 -7.423 1.00 0.00 N ATOM 1004 CA MET A 63 -9.147 0.447 -8.409 1.00 0.00 C ATOM 1005 C MET A 63 -9.540 1.759 -7.725 1.00 0.00 C ATOM 1006 O MET A 63 -9.566 2.807 -8.342 1.00 0.00 O ATOM 1007 CB MET A 63 -10.390 -0.293 -8.906 1.00 0.00 C ATOM 1008 CG MET A 63 -9.971 -1.413 -9.859 1.00 0.00 C ATOM 1009 SD MET A 63 -9.503 -0.704 -11.458 1.00 0.00 S ATOM 1010 CE MET A 63 -7.713 -0.890 -11.272 1.00 0.00 C ATOM 0 H MET A 63 -9.120 -1.215 -7.068 1.00 0.00 H new ATOM 0 HA MET A 63 -8.474 0.704 -9.227 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.941 -0.707 -8.062 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.060 0.400 -9.415 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.134 -1.969 -9.437 1.00 0.00 H new ATOM 0 HG3 MET A 63 -10.791 -2.120 -9.989 1.00 0.00 H new ATOM 0 HE1 MET A 63 -7.211 -0.015 -11.686 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.465 -0.984 -10.215 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.383 -1.783 -11.803 1.00 0.00 H new ATOM 1020 N ALA A 64 -9.844 1.705 -6.452 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.235 2.946 -5.717 1.00 0.00 C ATOM 1022 C ALA A 64 -8.993 3.778 -5.388 1.00 0.00 C ATOM 1023 O ALA A 64 -9.025 4.993 -5.414 1.00 0.00 O ATOM 1024 CB ALA A 64 -10.909 2.457 -4.434 1.00 0.00 C ATOM 0 H ALA A 64 -9.838 0.854 -5.890 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.897 3.581 -6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.225 3.314 -3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.779 1.851 -4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.204 1.856 -3.859 1.00 0.00 H new ATOM 1030 N LYS A 65 -7.900 3.127 -5.078 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.647 3.873 -4.746 1.00 0.00 C ATOM 1032 C LYS A 65 -6.121 4.599 -5.987 1.00 0.00 C ATOM 1033 O LYS A 65 -5.491 5.635 -5.889 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.650 2.805 -4.289 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.432 3.481 -3.656 1.00 0.00 C ATOM 1036 CD LYS A 65 -3.212 2.568 -3.793 1.00 0.00 C ATOM 1037 CE LYS A 65 -3.377 1.353 -2.878 1.00 0.00 C ATOM 1038 NZ LYS A 65 -2.908 1.813 -1.541 1.00 0.00 N ATOM 0 H LYS A 65 -7.821 2.111 -5.040 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.811 4.629 -3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.122 2.136 -3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.340 2.195 -5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.240 4.437 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.626 3.692 -2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.101 2.244 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.305 3.113 -3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.416 1.025 -2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.788 0.508 -3.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.510 1.400 -0.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.924 1.510 -1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.962 2.850 -1.492 1.00 0.00 H new ATOM 1052 N SER A 66 -6.379 4.061 -7.152 1.00 0.00 N ATOM 1053 CA SER A 66 -5.898 4.716 -8.408 1.00 0.00 C ATOM 1054 C SER A 66 -6.530 6.102 -8.553 1.00 0.00 C ATOM 1055 O SER A 66 -5.890 7.043 -8.986 1.00 0.00 O ATOM 1056 CB SER A 66 -6.354 3.799 -9.544 1.00 0.00 C ATOM 1057 OG SER A 66 -5.747 4.218 -10.759 1.00 0.00 O ATOM 0 H SER A 66 -6.902 3.196 -7.289 1.00 0.00 H new ATOM 0 HA SER A 66 -4.817 4.854 -8.410 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.081 2.767 -9.325 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.440 3.829 -9.637 1.00 0.00 H new ATOM 0 HG SER A 66 -6.036 3.631 -11.489 1.00 0.00 H new ATOM 1063 N ASP A 67 -7.782 6.233 -8.193 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.466 7.555 -8.305 1.00 0.00 C ATOM 1065 C ASP A 67 -8.195 8.396 -7.054 1.00 0.00 C ATOM 1066 O ASP A 67 -8.155 9.611 -7.109 1.00 0.00 O ATOM 1067 CB ASP A 67 -9.955 7.224 -8.416 1.00 0.00 C ATOM 1068 CG ASP A 67 -10.274 6.787 -9.846 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -10.131 5.610 -10.131 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -10.659 7.637 -10.633 1.00 0.00 O ATOM 0 H ASP A 67 -8.361 5.478 -7.825 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.113 8.132 -9.160 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.216 6.431 -7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.553 8.095 -8.148 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.008 7.754 -5.928 1.00 0.00 N ATOM 1076 CA LYS A 68 -7.736 8.509 -4.665 1.00 0.00 C ATOM 1077 C LYS A 68 -6.337 9.126 -4.711 1.00 0.00 C ATOM 1078 O LYS A 68 -6.104 10.193 -4.174 1.00 0.00 O ATOM 1079 CB LYS A 68 -7.826 7.467 -3.548 1.00 0.00 C ATOM 1080 CG LYS A 68 -7.794 8.171 -2.189 1.00 0.00 C ATOM 1081 CD LYS A 68 -6.343 8.315 -1.723 1.00 0.00 C ATOM 1082 CE LYS A 68 -6.307 8.456 -0.200 1.00 0.00 C ATOM 1083 NZ LYS A 68 -6.526 9.907 0.057 1.00 0.00 N ATOM 0 H LYS A 68 -8.032 6.739 -5.828 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.441 9.327 -4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.745 6.889 -3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.997 6.764 -3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.262 9.153 -2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.367 7.600 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.763 7.446 -2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.885 9.187 -2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.081 7.850 0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.351 8.123 0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.515 10.084 1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.770 10.458 -0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.446 10.194 -0.334 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.408 8.463 -5.351 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.017 9.005 -5.438 1.00 0.00 C ATOM 1099 C ALA A 69 -3.953 10.138 -6.465 1.00 0.00 C ATOM 1100 O ALA A 69 -3.133 11.032 -6.364 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.154 7.825 -5.887 1.00 0.00 C ATOM 0 H ALA A 69 -5.552 7.568 -5.818 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.677 9.418 -4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.116 8.146 -5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.226 7.022 -5.153 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.505 7.465 -6.854 1.00 0.00 H new ATOM 1107 N ARG A 70 -4.811 10.106 -7.453 1.00 0.00 N ATOM 1108 CA ARG A 70 -4.806 11.179 -8.493 1.00 0.00 C ATOM 1109 C ARG A 70 -5.832 12.265 -8.150 1.00 0.00 C ATOM 1110 O ARG A 70 -6.299 12.980 -9.018 1.00 0.00 O ATOM 1111 CB ARG A 70 -5.193 10.471 -9.790 1.00 0.00 C ATOM 1112 CG ARG A 70 -5.044 11.440 -10.964 1.00 0.00 C ATOM 1113 CD ARG A 70 -4.831 10.650 -12.257 1.00 0.00 C ATOM 1114 NE ARG A 70 -3.450 10.103 -12.152 1.00 0.00 N ATOM 1115 CZ ARG A 70 -2.541 10.452 -13.021 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -2.095 11.679 -13.042 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -2.079 9.576 -13.870 1.00 0.00 N ATOM 0 H ARG A 70 -5.516 9.381 -7.584 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.838 11.674 -8.567 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.559 9.597 -9.943 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.221 10.113 -9.729 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.934 12.064 -11.049 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.201 12.109 -10.792 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.565 9.851 -12.357 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.936 11.291 -13.133 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.214 9.455 -11.400 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.457 12.365 -12.379 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.385 11.952 -13.721 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.428 8.618 -13.855 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.369 9.849 -14.549 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.186 12.394 -6.897 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.181 13.433 -6.495 1.00 0.00 C ATOM 1133 C TYR A 71 -6.524 14.488 -5.599 1.00 0.00 C ATOM 1134 O TYR A 71 -6.964 15.622 -5.539 1.00 0.00 O ATOM 1135 CB TYR A 71 -8.260 12.671 -5.725 1.00 0.00 C ATOM 1136 CG TYR A 71 -9.582 13.387 -5.866 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -10.334 13.241 -7.038 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -10.054 14.198 -4.828 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -11.559 13.905 -7.170 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -11.279 14.862 -4.959 1.00 0.00 C ATOM 1141 CZ TYR A 71 -12.033 14.716 -6.131 1.00 0.00 C ATOM 1142 OH TYR A 71 -13.240 15.370 -6.262 1.00 0.00 O ATOM 0 H TYR A 71 -5.827 11.822 -6.132 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.590 13.964 -7.355 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.343 11.653 -6.106 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.986 12.596 -4.673 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.969 12.616 -7.840 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -9.473 14.312 -3.925 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.139 13.792 -8.074 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.643 15.487 -4.157 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.421 15.889 -5.451 1.00 0.00 H new