USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 397 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 48 THR OG1 : rot 105:sc= 0.365 USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0.352 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= 0.115 F(o=-1.3,f=0.11) USER MOD Single : A 37 GLN : amide:sc= -0.0367 X(o=-0.037,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0209) USER MOD Single : A 51 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-8.2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.653 K(o=-0.65,f=-2!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 69 ASN :FLIP amide:sc= -3.32! C(o=-5.3!,f=-3.3!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N PRO A 17 10.131 -6.092 -2.499 1.00 0.00 N ATOM 211 CA PRO A 17 8.927 -5.420 -2.004 1.00 0.00 C ATOM 212 C PRO A 17 7.647 -6.049 -2.545 1.00 0.00 C ATOM 213 O PRO A 17 7.695 -6.964 -3.368 1.00 0.00 O ATOM 214 CB PRO A 17 9.080 -3.989 -2.524 1.00 0.00 C ATOM 215 CG PRO A 17 9.950 -4.114 -3.727 1.00 0.00 C ATOM 216 CD PRO A 17 10.889 -5.253 -3.442 1.00 0.00 C ATOM 0 HA PRO A 17 8.840 -5.487 -0.920 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.113 -3.555 -2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.533 -3.341 -1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.356 -4.312 -4.619 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.500 -3.191 -3.908 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.145 -5.799 -4.350 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.825 -4.903 -3.006 1.00 0.00 H new ATOM 224 N ILE A 18 6.506 -5.553 -2.079 1.00 0.00 N ATOM 225 CA ILE A 18 5.215 -6.066 -2.518 1.00 0.00 C ATOM 226 C ILE A 18 4.365 -4.961 -3.135 1.00 0.00 C ATOM 227 O ILE A 18 4.436 -3.805 -2.720 1.00 0.00 O ATOM 228 CB ILE A 18 4.437 -6.706 -1.353 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.382 -7.521 -0.467 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.313 -7.583 -1.884 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.686 -8.208 0.687 1.00 0.00 C ATOM 0 H ILE A 18 6.450 -4.796 -1.397 1.00 0.00 H new ATOM 0 HA ILE A 18 5.418 -6.828 -3.270 1.00 0.00 H new ATOM 0 HB ILE A 18 3.997 -5.912 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.882 -8.272 -1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.156 -6.863 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.773 -8.028 -1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.628 -6.977 -2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.732 -8.373 -2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.417 -8.767 1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.209 -7.461 1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.930 -8.892 0.301 1.00 0.00 H new ATOM 243 N GLU A 19 3.560 -5.325 -4.129 1.00 0.00 N ATOM 244 CA GLU A 19 2.695 -4.363 -4.802 1.00 0.00 C ATOM 245 C GLU A 19 1.244 -4.538 -4.365 1.00 0.00 C ATOM 246 O GLU A 19 0.663 -5.613 -4.514 1.00 0.00 O ATOM 247 CB GLU A 19 2.805 -4.521 -6.320 1.00 0.00 C ATOM 248 CG GLU A 19 3.942 -3.722 -6.935 1.00 0.00 C ATOM 249 CD GLU A 19 3.977 -3.825 -8.447 1.00 0.00 C ATOM 250 OE1 GLU A 19 3.760 -4.939 -8.971 1.00 0.00 O ATOM 251 OE2 GLU A 19 4.221 -2.794 -9.107 1.00 0.00 O ATOM 0 H GLU A 19 3.489 -6.278 -4.485 1.00 0.00 H new ATOM 0 HA GLU A 19 3.022 -3.361 -4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.943 -5.576 -6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.866 -4.211 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.842 -2.675 -6.648 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.890 -4.075 -6.529 1.00 0.00 H new ATOM 258 N VAL A 20 0.663 -3.471 -3.824 1.00 0.00 N ATOM 259 CA VAL A 20 -0.721 -3.505 -3.366 1.00 0.00 C ATOM 260 C VAL A 20 -1.533 -2.374 -3.986 1.00 0.00 C ATOM 261 O VAL A 20 -1.002 -1.304 -4.286 1.00 0.00 O ATOM 262 CB VAL A 20 -0.806 -3.401 -1.831 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.385 -4.711 -1.183 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.049 -2.249 -1.327 1.00 0.00 C ATOM 0 H VAL A 20 1.129 -2.573 -3.692 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.136 -4.462 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.842 -3.203 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.451 -4.619 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.043 -5.512 -1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.642 -4.943 -1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.023 -2.190 -0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.088 -2.414 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.304 -1.315 -1.765 1.00 0.00 H new ATOM 274 N THR A 21 -2.826 -2.617 -4.177 1.00 0.00 N ATOM 275 CA THR A 21 -3.713 -1.620 -4.763 1.00 0.00 C ATOM 276 C THR A 21 -4.624 -1.006 -3.706 1.00 0.00 C ATOM 277 O THR A 21 -5.390 -1.710 -3.049 1.00 0.00 O ATOM 278 CB THR A 21 -4.580 -2.227 -5.882 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.752 -2.930 -6.816 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.364 -1.144 -6.608 1.00 0.00 C ATOM 0 H THR A 21 -3.282 -3.496 -3.934 1.00 0.00 H new ATOM 0 HA THR A 21 -3.078 -0.843 -5.188 1.00 0.00 H new ATOM 0 HB THR A 21 -5.286 -2.922 -5.427 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.311 -3.315 -7.523 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.969 -1.597 -7.394 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.014 -0.630 -5.901 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.671 -0.428 -7.051 1.00 0.00 H new ATOM 288 N ALA A 22 -4.537 0.311 -3.549 1.00 0.00 N ATOM 289 CA ALA A 22 -5.356 1.019 -2.574 1.00 0.00 C ATOM 290 C ALA A 22 -6.840 0.869 -2.890 1.00 0.00 C ATOM 291 O ALA A 22 -7.342 1.452 -3.852 1.00 0.00 O ATOM 292 CB ALA A 22 -4.970 2.491 -2.530 1.00 0.00 C ATOM 0 H ALA A 22 -3.907 0.909 -4.085 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.174 0.577 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.590 3.008 -1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.921 2.584 -2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.122 2.937 -3.513 1.00 0.00 H new ATOM 298 N LEU A 23 -7.537 0.084 -2.077 1.00 0.00 N ATOM 299 CA LEU A 23 -8.965 -0.144 -2.271 1.00 0.00 C ATOM 300 C LEU A 23 -9.745 1.162 -2.156 1.00 0.00 C ATOM 301 O LEU A 23 -10.784 1.334 -2.795 1.00 0.00 O ATOM 302 CB LEU A 23 -9.485 -1.153 -1.245 1.00 0.00 C ATOM 303 CG LEU A 23 -8.764 -2.501 -1.206 1.00 0.00 C ATOM 304 CD1 LEU A 23 -9.269 -3.343 -0.045 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.946 -3.242 -2.523 1.00 0.00 C ATOM 0 H LEU A 23 -7.137 -0.406 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.111 -0.547 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.421 -0.701 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.541 -1.334 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.700 -2.318 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.745 -4.298 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.086 -2.817 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.339 -3.518 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.426 -4.199 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.008 -3.414 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.535 -2.644 -3.337 1.00 0.00 H new ATOM 317 N TYR A 24 -9.237 2.079 -1.340 1.00 0.00 N ATOM 318 CA TYR A 24 -9.887 3.369 -1.142 1.00 0.00 C ATOM 319 C TYR A 24 -8.853 4.479 -0.973 1.00 0.00 C ATOM 320 O TYR A 24 -7.670 4.213 -0.760 1.00 0.00 O ATOM 321 CB TYR A 24 -10.803 3.320 0.082 1.00 0.00 C ATOM 322 CG TYR A 24 -11.648 2.069 0.156 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.825 1.958 -0.575 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.272 0.997 0.956 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.602 0.817 -0.511 1.00 0.00 C ATOM 326 CE2 TYR A 24 -12.041 -0.148 1.025 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.205 -0.233 0.291 1.00 0.00 C ATOM 328 OH TYR A 24 -13.975 -1.372 0.358 1.00 0.00 O ATOM 0 H TYR A 24 -8.378 1.953 -0.805 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.486 3.585 -2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.195 3.391 0.984 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.458 4.191 0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.138 2.778 -1.204 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.362 1.060 1.534 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.514 0.748 -1.085 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.732 -0.972 1.651 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.555 -2.016 0.966 1.00 0.00 H new ATOM 338 N SER A 25 -9.310 5.723 -1.070 1.00 0.00 N ATOM 339 CA SER A 25 -8.426 6.875 -0.932 1.00 0.00 C ATOM 340 C SER A 25 -8.069 7.113 0.533 1.00 0.00 C ATOM 341 O SER A 25 -8.787 6.684 1.436 1.00 0.00 O ATOM 342 CB SER A 25 -9.086 8.124 -1.517 1.00 0.00 C ATOM 343 OG SER A 25 -10.253 8.472 -0.793 1.00 0.00 O ATOM 0 H SER A 25 -10.287 5.959 -1.244 1.00 0.00 H new ATOM 0 HA SER A 25 -7.509 6.666 -1.483 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.381 8.955 -1.497 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.342 7.948 -2.562 1.00 0.00 H new ATOM 0 HG SER A 25 -10.655 9.275 -1.186 1.00 0.00 H new ATOM 349 N PHE A 26 -6.955 7.800 0.759 1.00 0.00 N ATOM 350 CA PHE A 26 -6.501 8.096 2.113 1.00 0.00 C ATOM 351 C PHE A 26 -5.593 9.322 2.127 1.00 0.00 C ATOM 352 O PHE A 26 -4.939 9.634 1.133 1.00 0.00 O ATOM 353 CB PHE A 26 -5.759 6.892 2.699 1.00 0.00 C ATOM 354 CG PHE A 26 -5.110 7.175 4.024 1.00 0.00 C ATOM 355 CD1 PHE A 26 -5.836 7.080 5.200 1.00 0.00 C ATOM 356 CD2 PHE A 26 -3.774 7.536 4.093 1.00 0.00 C ATOM 357 CE1 PHE A 26 -5.242 7.339 6.421 1.00 0.00 C ATOM 358 CE2 PHE A 26 -3.175 7.796 5.311 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.910 7.699 6.476 1.00 0.00 C ATOM 0 H PHE A 26 -6.350 8.162 0.022 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.378 8.308 2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.460 6.065 2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.996 6.566 1.992 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.878 6.800 5.162 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.194 7.615 3.185 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.819 7.260 7.331 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.132 8.075 5.352 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.444 7.904 7.428 1.00 0.00 H new ATOM 369 N GLU A 27 -5.561 10.015 3.262 1.00 0.00 N ATOM 370 CA GLU A 27 -4.736 11.208 3.404 1.00 0.00 C ATOM 371 C GLU A 27 -4.060 11.242 4.772 1.00 0.00 C ATOM 372 O GLU A 27 -4.705 11.488 5.790 1.00 0.00 O ATOM 373 CB GLU A 27 -5.583 12.467 3.211 1.00 0.00 C ATOM 374 CG GLU A 27 -5.665 12.931 1.767 1.00 0.00 C ATOM 375 CD GLU A 27 -6.821 13.881 1.523 1.00 0.00 C ATOM 376 OE1 GLU A 27 -6.906 14.905 2.234 1.00 0.00 O ATOM 377 OE2 GLU A 27 -7.640 13.602 0.623 1.00 0.00 O ATOM 0 H GLU A 27 -6.097 9.770 4.095 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.963 11.177 2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.591 12.277 3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.167 13.271 3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.732 13.423 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.770 12.063 1.116 1.00 0.00 H new ATOM 384 N GLY A 28 -2.754 10.991 4.787 1.00 0.00 N ATOM 385 CA GLY A 28 -2.011 10.996 6.033 1.00 0.00 C ATOM 386 C GLY A 28 -2.343 12.194 6.901 1.00 0.00 C ATOM 387 O GLY A 28 -1.860 13.298 6.655 1.00 0.00 O ATOM 0 H GLY A 28 -2.198 10.784 3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.226 10.081 6.585 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.943 10.993 5.816 1.00 0.00 H new ATOM 439 N GLY A 32 4.290 12.082 8.739 1.00 0.00 N ATOM 440 CA GLY A 32 5.062 10.881 8.481 1.00 0.00 C ATOM 441 C GLY A 32 4.276 9.841 7.708 1.00 0.00 C ATOM 442 O GLY A 32 4.855 8.968 7.062 1.00 0.00 O ATOM 0 HA2 GLY A 32 5.960 11.143 7.921 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.390 10.454 9.428 1.00 0.00 H new ATOM 446 N ASP A 33 2.952 9.932 7.776 1.00 0.00 N ATOM 447 CA ASP A 33 2.084 8.992 7.077 1.00 0.00 C ATOM 448 C ASP A 33 2.300 9.070 5.569 1.00 0.00 C ATOM 449 O ASP A 33 3.178 9.792 5.093 1.00 0.00 O ATOM 450 CB ASP A 33 0.618 9.273 7.410 1.00 0.00 C ATOM 451 CG ASP A 33 0.308 9.065 8.880 1.00 0.00 C ATOM 452 OD1 ASP A 33 0.663 9.945 9.691 1.00 0.00 O ATOM 453 OD2 ASP A 33 -0.289 8.022 9.218 1.00 0.00 O ATOM 0 H ASP A 33 2.457 10.647 8.308 1.00 0.00 H new ATOM 0 HA ASP A 33 2.338 7.986 7.410 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.375 10.299 7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.019 8.622 6.812 1.00 0.00 H new ATOM 458 N LEU A 34 1.496 8.322 4.822 1.00 0.00 N ATOM 459 CA LEU A 34 1.599 8.306 3.367 1.00 0.00 C ATOM 460 C LEU A 34 0.294 8.763 2.723 1.00 0.00 C ATOM 461 O LEU A 34 -0.781 8.610 3.301 1.00 0.00 O ATOM 462 CB LEU A 34 1.958 6.902 2.877 1.00 0.00 C ATOM 463 CG LEU A 34 1.799 6.653 1.377 1.00 0.00 C ATOM 464 CD1 LEU A 34 2.931 7.311 0.603 1.00 0.00 C ATOM 465 CD2 LEU A 34 1.749 5.160 1.086 1.00 0.00 C ATOM 0 H LEU A 34 0.765 7.719 5.200 1.00 0.00 H new ATOM 0 HA LEU A 34 2.388 8.999 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.993 6.697 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.338 6.183 3.412 1.00 0.00 H new ATOM 0 HG LEU A 34 0.858 7.098 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.801 7.123 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.920 8.386 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.885 6.897 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.636 5.002 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.673 4.692 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.903 4.715 1.610 1.00 0.00 H new ATOM 477 N ASN A 35 0.397 9.322 1.522 1.00 0.00 N ATOM 478 CA ASN A 35 -0.776 9.799 0.798 1.00 0.00 C ATOM 479 C ASN A 35 -0.972 9.018 -0.498 1.00 0.00 C ATOM 480 O ASN A 35 -0.099 9.006 -1.366 1.00 0.00 O ATOM 481 CB ASN A 35 -0.638 11.292 0.490 1.00 0.00 C ATOM 482 CG ASN A 35 -0.248 12.100 1.713 1.00 0.00 C ATOM 483 OD1 ASN A 35 -1.182 12.253 2.644 1.00 0.00 O flip ATOM 484 ND2 ASN A 35 0.880 12.582 1.818 1.00 0.00 N flip ATOM 0 H ASN A 35 1.280 9.456 1.029 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.650 9.643 1.430 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.112 11.432 -0.289 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.582 11.668 0.095 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.567 12.439 1.077 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.128 13.124 2.646 1.00 0.00 H new ATOM 491 N PHE A 36 -2.123 8.366 -0.621 1.00 0.00 N ATOM 492 CA PHE A 36 -2.434 7.581 -1.810 1.00 0.00 C ATOM 493 C PHE A 36 -3.908 7.714 -2.179 1.00 0.00 C ATOM 494 O PHE A 36 -4.688 8.325 -1.450 1.00 0.00 O ATOM 495 CB PHE A 36 -2.085 6.109 -1.580 1.00 0.00 C ATOM 496 CG PHE A 36 -2.739 5.520 -0.363 1.00 0.00 C ATOM 497 CD1 PHE A 36 -2.133 5.614 0.879 1.00 0.00 C ATOM 498 CD2 PHE A 36 -3.961 4.874 -0.461 1.00 0.00 C ATOM 499 CE1 PHE A 36 -2.732 5.072 2.001 1.00 0.00 C ATOM 500 CE2 PHE A 36 -4.566 4.331 0.657 1.00 0.00 C ATOM 501 CZ PHE A 36 -3.951 4.431 1.890 1.00 0.00 C ATOM 0 H PHE A 36 -2.856 8.366 0.088 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.835 7.965 -2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.381 5.533 -2.456 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.004 6.011 -1.485 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.182 6.117 0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.447 4.794 -1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.248 5.150 2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.518 3.829 0.567 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.422 4.009 2.765 1.00 0.00 H new ATOM 511 N GLN A 37 -4.281 7.138 -3.318 1.00 0.00 N ATOM 512 CA GLN A 37 -5.661 7.194 -3.785 1.00 0.00 C ATOM 513 C GLN A 37 -6.159 5.807 -4.179 1.00 0.00 C ATOM 514 O GLN A 37 -5.366 4.913 -4.474 1.00 0.00 O ATOM 515 CB GLN A 37 -5.780 8.148 -4.975 1.00 0.00 C ATOM 516 CG GLN A 37 -5.527 9.603 -4.616 1.00 0.00 C ATOM 517 CD GLN A 37 -6.106 10.566 -5.634 1.00 0.00 C ATOM 518 OE1 GLN A 37 -5.372 11.273 -6.324 1.00 0.00 O ATOM 519 NE2 GLN A 37 -7.430 10.596 -5.733 1.00 0.00 N ATOM 0 H GLN A 37 -3.647 6.628 -3.933 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.280 7.564 -2.968 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.072 7.844 -5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.777 8.057 -5.405 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.959 9.812 -3.637 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.453 9.771 -4.533 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.000 9.992 -5.140 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.877 11.223 -6.402 1.00 0.00 H new ATOM 528 N ALA A 38 -7.477 5.636 -4.180 1.00 0.00 N ATOM 529 CA ALA A 38 -8.080 4.358 -4.538 1.00 0.00 C ATOM 530 C ALA A 38 -7.564 3.866 -5.886 1.00 0.00 C ATOM 531 O ALA A 38 -7.962 4.369 -6.936 1.00 0.00 O ATOM 532 CB ALA A 38 -9.597 4.480 -4.564 1.00 0.00 C ATOM 0 H ALA A 38 -8.147 6.366 -3.937 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.798 3.626 -3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.035 3.519 -4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.955 4.779 -3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.889 5.230 -5.299 1.00 0.00 H new ATOM 538 N GLY A 39 -6.673 2.879 -5.849 1.00 0.00 N ATOM 539 CA GLY A 39 -6.116 2.337 -7.074 1.00 0.00 C ATOM 540 C GLY A 39 -4.608 2.474 -7.136 1.00 0.00 C ATOM 541 O GLY A 39 -3.919 1.601 -7.664 1.00 0.00 O ATOM 0 H GLY A 39 -6.328 2.446 -4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.386 1.284 -7.157 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.560 2.848 -7.928 1.00 0.00 H new ATOM 545 N ASP A 40 -4.093 3.575 -6.598 1.00 0.00 N ATOM 546 CA ASP A 40 -2.657 3.825 -6.595 1.00 0.00 C ATOM 547 C ASP A 40 -1.902 2.648 -5.985 1.00 0.00 C ATOM 548 O ASP A 40 -2.225 2.191 -4.889 1.00 0.00 O ATOM 549 CB ASP A 40 -2.342 5.105 -5.820 1.00 0.00 C ATOM 550 CG ASP A 40 -2.351 6.335 -6.706 1.00 0.00 C ATOM 551 OD1 ASP A 40 -3.000 6.293 -7.772 1.00 0.00 O ATOM 552 OD2 ASP A 40 -1.709 7.340 -6.334 1.00 0.00 O ATOM 0 H ASP A 40 -4.649 4.308 -6.158 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.332 3.946 -7.628 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.072 5.231 -5.021 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.365 5.009 -5.347 1.00 0.00 H new ATOM 557 N ARG A 41 -0.895 2.161 -6.704 1.00 0.00 N ATOM 558 CA ARG A 41 -0.096 1.035 -6.234 1.00 0.00 C ATOM 559 C ARG A 41 0.977 1.502 -5.254 1.00 0.00 C ATOM 560 O ARG A 41 1.734 2.429 -5.542 1.00 0.00 O ATOM 561 CB ARG A 41 0.557 0.317 -7.417 1.00 0.00 C ATOM 562 CG ARG A 41 -0.360 -0.680 -8.106 1.00 0.00 C ATOM 563 CD ARG A 41 -1.157 -0.026 -9.223 1.00 0.00 C ATOM 564 NE ARG A 41 -0.310 0.352 -10.351 1.00 0.00 N ATOM 565 CZ ARG A 41 -0.775 0.894 -11.471 1.00 0.00 C ATOM 566 NH1 ARG A 41 -2.074 1.121 -11.611 1.00 0.00 N ATOM 567 NH2 ARG A 41 0.059 1.211 -12.452 1.00 0.00 N ATOM 0 H ARG A 41 -0.613 2.528 -7.613 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.759 0.341 -5.717 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.885 1.059 -8.145 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.449 -0.204 -7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.232 -1.500 -8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.043 -1.112 -7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.932 -0.712 -9.565 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.663 0.859 -8.837 1.00 0.00 H new ATOM 0 HE ARG A 41 0.694 0.191 -10.275 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.718 0.879 -10.858 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.429 1.537 -12.472 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.059 1.039 -12.347 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.299 1.627 -13.312 1.00 0.00 H new ATOM 581 N ILE A 42 1.034 0.853 -4.096 1.00 0.00 N ATOM 582 CA ILE A 42 2.013 1.201 -3.074 1.00 0.00 C ATOM 583 C ILE A 42 3.059 0.102 -2.918 1.00 0.00 C ATOM 584 O ILE A 42 2.724 -1.068 -2.730 1.00 0.00 O ATOM 585 CB ILE A 42 1.341 1.451 -1.711 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.325 2.590 -1.821 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.388 1.767 -0.654 1.00 0.00 C ATOM 588 CD1 ILE A 42 -0.837 2.457 -0.862 1.00 0.00 C ATOM 0 H ILE A 42 0.414 0.084 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 42 2.499 2.119 -3.404 1.00 0.00 H new ATOM 0 HB ILE A 42 0.813 0.546 -1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.832 3.537 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.058 2.627 -2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.897 1.941 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.077 0.927 -0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.942 2.660 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.517 3.298 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.368 1.526 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.464 2.450 0.162 1.00 0.00 H new ATOM 600 N THR A 43 4.330 0.486 -2.996 1.00 0.00 N ATOM 601 CA THR A 43 5.426 -0.465 -2.863 1.00 0.00 C ATOM 602 C THR A 43 5.708 -0.778 -1.398 1.00 0.00 C ATOM 603 O THR A 43 6.382 -0.013 -0.708 1.00 0.00 O ATOM 604 CB THR A 43 6.714 0.066 -3.520 1.00 0.00 C ATOM 605 OG1 THR A 43 6.481 0.334 -4.907 1.00 0.00 O ATOM 606 CG2 THR A 43 7.848 -0.937 -3.375 1.00 0.00 C ATOM 0 H THR A 43 4.625 1.450 -3.151 1.00 0.00 H new ATOM 0 HA THR A 43 5.116 -1.377 -3.373 1.00 0.00 H new ATOM 0 HB THR A 43 7.000 0.989 -3.015 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.304 0.673 -5.317 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.747 -0.540 -3.846 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.042 -1.117 -2.318 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.569 -1.874 -3.857 1.00 0.00 H new ATOM 614 N VAL A 44 5.188 -1.907 -0.927 1.00 0.00 N ATOM 615 CA VAL A 44 5.386 -2.322 0.456 1.00 0.00 C ATOM 616 C VAL A 44 6.856 -2.607 0.740 1.00 0.00 C ATOM 617 O VAL A 44 7.439 -3.533 0.176 1.00 0.00 O ATOM 618 CB VAL A 44 4.558 -3.577 0.790 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.769 -3.987 2.239 1.00 0.00 C ATOM 620 CG2 VAL A 44 3.083 -3.333 0.506 1.00 0.00 C ATOM 0 H VAL A 44 4.626 -2.551 -1.484 1.00 0.00 H new ATOM 0 HA VAL A 44 5.051 -1.497 1.084 1.00 0.00 H new ATOM 0 HB VAL A 44 4.897 -4.394 0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.176 -4.875 2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.824 -4.205 2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.459 -3.174 2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.513 -4.230 0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.728 -2.502 1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.951 -3.092 -0.549 1.00 0.00 H new ATOM 630 N ILE A 45 7.450 -1.804 1.617 1.00 0.00 N ATOM 631 CA ILE A 45 8.853 -1.971 1.977 1.00 0.00 C ATOM 632 C ILE A 45 8.995 -2.622 3.349 1.00 0.00 C ATOM 633 O ILE A 45 9.883 -3.445 3.568 1.00 0.00 O ATOM 634 CB ILE A 45 9.597 -0.623 1.981 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.705 0.475 2.565 1.00 0.00 C ATOM 636 CG2 ILE A 45 10.041 -0.259 0.572 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.408 1.805 2.720 1.00 0.00 C ATOM 0 H ILE A 45 6.982 -1.032 2.091 1.00 0.00 H new ATOM 0 HA ILE A 45 9.298 -2.620 1.222 1.00 0.00 H new ATOM 0 HB ILE A 45 10.484 -0.716 2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.835 0.606 1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.336 0.153 3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.565 0.696 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.708 -1.032 0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.168 -0.181 -0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.716 2.536 3.139 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.262 1.690 3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.753 2.150 1.745 1.00 0.00 H new ATOM 649 N SER A 46 8.112 -2.247 4.269 1.00 0.00 N ATOM 650 CA SER A 46 8.140 -2.793 5.621 1.00 0.00 C ATOM 651 C SER A 46 6.727 -2.942 6.176 1.00 0.00 C ATOM 652 O SER A 46 6.015 -1.956 6.369 1.00 0.00 O ATOM 653 CB SER A 46 8.968 -1.893 6.540 1.00 0.00 C ATOM 654 OG SER A 46 9.555 -2.640 7.592 1.00 0.00 O ATOM 0 H SER A 46 7.369 -1.568 4.103 1.00 0.00 H new ATOM 0 HA SER A 46 8.601 -3.780 5.578 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.748 -1.398 5.962 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.333 -1.110 6.956 1.00 0.00 H new ATOM 0 HG SER A 46 10.080 -2.042 8.164 1.00 0.00 H new ATOM 660 N LYS A 47 6.326 -4.183 6.432 1.00 0.00 N ATOM 661 CA LYS A 47 4.999 -4.464 6.966 1.00 0.00 C ATOM 662 C LYS A 47 5.067 -5.518 8.066 1.00 0.00 C ATOM 663 O LYS A 47 6.139 -6.038 8.377 1.00 0.00 O ATOM 664 CB LYS A 47 4.067 -4.938 5.848 1.00 0.00 C ATOM 665 CG LYS A 47 4.364 -6.347 5.365 1.00 0.00 C ATOM 666 CD LYS A 47 3.113 -7.032 4.842 1.00 0.00 C ATOM 667 CE LYS A 47 3.457 -8.196 3.924 1.00 0.00 C ATOM 668 NZ LYS A 47 4.214 -9.261 4.639 1.00 0.00 N ATOM 0 H LYS A 47 6.902 -5.011 6.278 1.00 0.00 H new ATOM 0 HA LYS A 47 4.604 -3.543 7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.037 -4.894 6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.144 -4.250 5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.117 -6.312 4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.785 -6.932 6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.517 -7.392 5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.500 -6.310 4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.540 -8.617 3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.048 -7.833 3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.356 -10.072 4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.138 -8.889 4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.677 -9.566 5.476 1.00 0.00 H new ATOM 682 N THR A 48 3.916 -5.830 8.653 1.00 0.00 N ATOM 683 CA THR A 48 3.845 -6.822 9.719 1.00 0.00 C ATOM 684 C THR A 48 2.901 -7.960 9.348 1.00 0.00 C ATOM 685 O THR A 48 2.196 -7.892 8.341 1.00 0.00 O ATOM 686 CB THR A 48 3.376 -6.191 11.043 1.00 0.00 C ATOM 687 OG1 THR A 48 2.075 -5.617 10.879 1.00 0.00 O ATOM 688 CG2 THR A 48 4.353 -5.122 11.510 1.00 0.00 C ATOM 0 H THR A 48 3.019 -5.410 8.408 1.00 0.00 H new ATOM 0 HA THR A 48 4.852 -7.218 9.851 1.00 0.00 H new ATOM 0 HB THR A 48 3.333 -6.976 11.798 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.407 -6.193 11.306 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.000 -4.691 12.447 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.335 -5.569 11.663 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.424 -4.339 10.755 1.00 0.00 H new ATOM 696 N ASP A 49 2.891 -9.005 10.169 1.00 0.00 N ATOM 697 CA ASP A 49 2.032 -10.158 9.928 1.00 0.00 C ATOM 698 C ASP A 49 0.597 -9.865 10.357 1.00 0.00 C ATOM 699 O ASP A 49 -0.029 -10.665 11.052 1.00 0.00 O ATOM 700 CB ASP A 49 2.562 -11.382 10.678 1.00 0.00 C ATOM 701 CG ASP A 49 2.925 -11.067 12.115 1.00 0.00 C ATOM 702 OD1 ASP A 49 3.938 -10.371 12.332 1.00 0.00 O ATOM 703 OD2 ASP A 49 2.196 -11.518 13.024 1.00 0.00 O ATOM 0 H ASP A 49 3.468 -9.077 11.007 1.00 0.00 H new ATOM 0 HA ASP A 49 2.037 -10.367 8.858 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.809 -12.169 10.661 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.440 -11.769 10.161 1.00 0.00 H new ATOM 708 N SER A 50 0.083 -8.713 9.939 1.00 0.00 N ATOM 709 CA SER A 50 -1.276 -8.312 10.284 1.00 0.00 C ATOM 710 C SER A 50 -1.759 -7.188 9.372 1.00 0.00 C ATOM 711 O SER A 50 -1.004 -6.271 9.045 1.00 0.00 O ATOM 712 CB SER A 50 -1.342 -7.863 11.745 1.00 0.00 C ATOM 713 OG SER A 50 -0.109 -7.305 12.163 1.00 0.00 O ATOM 0 H SER A 50 0.587 -8.041 9.361 1.00 0.00 H new ATOM 0 HA SER A 50 -1.929 -9.174 10.146 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.137 -7.128 11.867 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.594 -8.713 12.379 1.00 0.00 H new ATOM 0 HG SER A 50 -0.178 -7.024 13.099 1.00 0.00 H new ATOM 719 N HIS A 51 -3.021 -7.266 8.965 1.00 0.00 N ATOM 720 CA HIS A 51 -3.607 -6.256 8.091 1.00 0.00 C ATOM 721 C HIS A 51 -4.062 -5.041 8.894 1.00 0.00 C ATOM 722 O HIS A 51 -3.673 -3.910 8.602 1.00 0.00 O ATOM 723 CB HIS A 51 -4.788 -6.843 7.318 1.00 0.00 C ATOM 724 CG HIS A 51 -5.808 -7.503 8.193 1.00 0.00 C ATOM 725 ND1 HIS A 51 -5.722 -8.823 8.584 1.00 0.00 N ATOM 726 CD2 HIS A 51 -6.940 -7.019 8.754 1.00 0.00 C ATOM 727 CE1 HIS A 51 -6.759 -9.122 9.347 1.00 0.00 C ATOM 728 NE2 HIS A 51 -7.513 -8.044 9.466 1.00 0.00 N ATOM 0 H HIS A 51 -3.658 -8.018 9.226 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.843 -5.936 7.383 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.270 -6.048 6.748 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.414 -7.570 6.597 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.322 -6.013 8.659 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.956 -10.084 9.797 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.380 -7.983 10.000 1.00 0.00 H new ATOM 737 N PHE A 52 -4.890 -5.283 9.905 1.00 0.00 N ATOM 738 CA PHE A 52 -5.400 -4.208 10.749 1.00 0.00 C ATOM 739 C PHE A 52 -4.298 -3.205 11.077 1.00 0.00 C ATOM 740 O PHE A 52 -4.530 -1.996 11.098 1.00 0.00 O ATOM 741 CB PHE A 52 -5.985 -4.780 12.041 1.00 0.00 C ATOM 742 CG PHE A 52 -7.379 -5.318 11.881 1.00 0.00 C ATOM 743 CD1 PHE A 52 -8.423 -4.480 11.525 1.00 0.00 C ATOM 744 CD2 PHE A 52 -7.644 -6.662 12.087 1.00 0.00 C ATOM 745 CE1 PHE A 52 -9.706 -4.972 11.378 1.00 0.00 C ATOM 746 CE2 PHE A 52 -8.926 -7.161 11.941 1.00 0.00 C ATOM 747 CZ PHE A 52 -9.957 -6.314 11.585 1.00 0.00 C ATOM 0 H PHE A 52 -5.222 -6.213 10.160 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.187 -3.690 10.200 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.336 -5.577 12.403 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.990 -4.002 12.804 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.232 -3.430 11.360 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.840 -7.328 12.365 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.511 -4.308 11.102 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.120 -8.211 12.105 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.959 -6.701 11.469 1.00 0.00 H new ATOM 757 N ASP A 53 -3.099 -3.715 11.334 1.00 0.00 N ATOM 758 CA ASP A 53 -1.960 -2.865 11.661 1.00 0.00 C ATOM 759 C ASP A 53 -1.571 -1.996 10.470 1.00 0.00 C ATOM 760 O ASP A 53 -1.976 -2.260 9.338 1.00 0.00 O ATOM 761 CB ASP A 53 -0.767 -3.719 12.096 1.00 0.00 C ATOM 762 CG ASP A 53 -0.928 -4.265 13.501 1.00 0.00 C ATOM 763 OD1 ASP A 53 -1.847 -5.084 13.718 1.00 0.00 O ATOM 764 OD2 ASP A 53 -0.136 -3.875 14.383 1.00 0.00 O ATOM 0 H ASP A 53 -2.890 -4.713 11.322 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.250 -2.213 12.485 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.644 -4.548 11.399 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.143 -3.121 12.044 1.00 0.00 H new ATOM 769 N TRP A 54 -0.785 -0.958 10.733 1.00 0.00 N ATOM 770 CA TRP A 54 -0.342 -0.049 9.682 1.00 0.00 C ATOM 771 C TRP A 54 0.998 -0.493 9.106 1.00 0.00 C ATOM 772 O TRP A 54 1.908 -0.866 9.846 1.00 0.00 O ATOM 773 CB TRP A 54 -0.230 1.376 10.227 1.00 0.00 C ATOM 774 CG TRP A 54 -1.558 2.033 10.450 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.630 1.511 11.116 1.00 0.00 C ATOM 776 CD2 TRP A 54 -1.956 3.335 10.005 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.670 2.408 11.112 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.282 3.536 10.437 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.321 4.350 9.285 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -3.981 4.710 10.171 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -2.017 5.515 9.021 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.335 5.687 9.464 1.00 0.00 C ATOM 0 H TRP A 54 -0.441 -0.725 11.665 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.083 -0.068 8.883 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.319 1.355 11.168 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.353 1.979 9.531 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.656 0.535 11.578 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.583 2.259 11.542 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.305 4.227 8.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.997 4.845 10.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.537 6.306 8.464 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.851 6.609 9.243 1.00 0.00 H new ATOM 793 N TRP A 55 1.111 -0.451 7.784 1.00 0.00 N ATOM 794 CA TRP A 55 2.341 -0.850 7.109 1.00 0.00 C ATOM 795 C TRP A 55 3.050 0.359 6.510 1.00 0.00 C ATOM 796 O TRP A 55 2.496 1.457 6.472 1.00 0.00 O ATOM 797 CB TRP A 55 2.037 -1.874 6.014 1.00 0.00 C ATOM 798 CG TRP A 55 1.448 -3.148 6.538 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.433 -3.571 7.837 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.790 -4.165 5.776 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.805 -4.790 7.927 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.401 -5.176 6.677 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.489 -4.321 4.420 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.271 -6.323 6.264 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.177 -5.460 4.011 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.552 -6.449 4.931 1.00 0.00 C ATOM 0 H TRP A 55 0.366 -0.145 7.158 1.00 0.00 H new ATOM 0 HA TRP A 55 3.001 -1.305 7.848 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.347 -1.432 5.295 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.956 -2.102 5.475 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.853 -3.027 8.670 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.663 -5.321 8.786 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.772 -3.564 3.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.560 -7.087 6.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.413 -5.591 2.965 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.073 -7.328 4.581 1.00 0.00 H new ATOM 817 N GLU A 56 4.277 0.149 6.043 1.00 0.00 N ATOM 818 CA GLU A 56 5.060 1.225 5.446 1.00 0.00 C ATOM 819 C GLU A 56 5.366 0.926 3.981 1.00 0.00 C ATOM 820 O GLU A 56 6.076 -0.028 3.666 1.00 0.00 O ATOM 821 CB GLU A 56 6.365 1.426 6.220 1.00 0.00 C ATOM 822 CG GLU A 56 7.180 2.615 5.741 1.00 0.00 C ATOM 823 CD GLU A 56 8.495 2.758 6.482 1.00 0.00 C ATOM 824 OE1 GLU A 56 9.090 1.720 6.842 1.00 0.00 O ATOM 825 OE2 GLU A 56 8.930 3.908 6.702 1.00 0.00 O ATOM 0 H GLU A 56 4.750 -0.755 6.066 1.00 0.00 H new ATOM 0 HA GLU A 56 4.471 2.141 5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.134 1.557 7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.970 0.524 6.135 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.378 2.509 4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.595 3.526 5.867 1.00 0.00 H new ATOM 832 N GLY A 57 4.824 1.750 3.089 1.00 0.00 N ATOM 833 CA GLY A 57 5.049 1.558 1.669 1.00 0.00 C ATOM 834 C GLY A 57 5.546 2.817 0.985 1.00 0.00 C ATOM 835 O GLY A 57 5.659 3.870 1.612 1.00 0.00 O ATOM 0 H GLY A 57 4.233 2.547 3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.776 0.759 1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.121 1.234 1.198 1.00 0.00 H new ATOM 839 N LYS A 58 5.845 2.709 -0.305 1.00 0.00 N ATOM 840 CA LYS A 58 6.332 3.846 -1.076 1.00 0.00 C ATOM 841 C LYS A 58 5.452 4.094 -2.297 1.00 0.00 C ATOM 842 O LYS A 58 5.054 3.155 -2.988 1.00 0.00 O ATOM 843 CB LYS A 58 7.778 3.608 -1.517 1.00 0.00 C ATOM 844 CG LYS A 58 8.807 4.052 -0.492 1.00 0.00 C ATOM 845 CD LYS A 58 10.111 3.286 -0.642 1.00 0.00 C ATOM 846 CE LYS A 58 11.014 3.923 -1.687 1.00 0.00 C ATOM 847 NZ LYS A 58 12.454 3.660 -1.411 1.00 0.00 N ATOM 0 H LYS A 58 5.758 1.844 -0.839 1.00 0.00 H new ATOM 0 HA LYS A 58 6.293 4.728 -0.437 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.916 2.546 -1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.956 4.139 -2.452 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.996 5.120 -0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.410 3.902 0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.628 3.255 0.317 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.898 2.255 -0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.757 3.537 -2.673 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.839 4.999 -1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.036 4.111 -2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.706 4.051 -0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.626 2.634 -1.414 1.00 0.00 H new ATOM 861 N LEU A 59 5.153 5.361 -2.558 1.00 0.00 N ATOM 862 CA LEU A 59 4.321 5.732 -3.697 1.00 0.00 C ATOM 863 C LEU A 59 4.827 7.017 -4.346 1.00 0.00 C ATOM 864 O LEU A 59 5.037 8.024 -3.670 1.00 0.00 O ATOM 865 CB LEU A 59 2.867 5.909 -3.256 1.00 0.00 C ATOM 866 CG LEU A 59 1.981 6.741 -4.183 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.627 5.952 -5.434 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.720 7.187 -3.457 1.00 0.00 C ATOM 0 H LEU A 59 5.474 6.149 -1.996 1.00 0.00 H new ATOM 0 HA LEU A 59 4.376 4.929 -4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.418 4.921 -3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.861 6.372 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 59 2.537 7.629 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.996 6.561 -6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.540 5.683 -5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.091 5.046 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.101 7.778 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.162 6.311 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.993 7.792 -2.592 1.00 0.00 H new ATOM 880 N ARG A 60 5.019 6.974 -5.660 1.00 0.00 N ATOM 881 CA ARG A 60 5.500 8.135 -6.400 1.00 0.00 C ATOM 882 C ARG A 60 6.679 8.787 -5.684 1.00 0.00 C ATOM 883 O ARG A 60 6.749 10.010 -5.569 1.00 0.00 O ATOM 884 CB ARG A 60 4.372 9.153 -6.581 1.00 0.00 C ATOM 885 CG ARG A 60 3.111 8.563 -7.189 1.00 0.00 C ATOM 886 CD ARG A 60 3.415 7.788 -8.461 1.00 0.00 C ATOM 887 NE ARG A 60 3.935 8.651 -9.518 1.00 0.00 N ATOM 888 CZ ARG A 60 3.174 9.454 -10.252 1.00 0.00 C ATOM 889 NH1 ARG A 60 1.865 9.503 -10.046 1.00 0.00 N ATOM 890 NH2 ARG A 60 3.721 10.210 -11.196 1.00 0.00 N ATOM 0 H ARG A 60 4.849 6.148 -6.234 1.00 0.00 H new ATOM 0 HA ARG A 60 5.836 7.796 -7.380 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.128 9.589 -5.612 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.726 9.965 -7.216 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.631 7.903 -6.466 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.404 9.363 -7.409 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.141 7.005 -8.243 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.508 7.294 -8.810 1.00 0.00 H new ATOM 0 HE ARG A 60 4.938 8.636 -9.703 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.441 8.923 -9.322 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.283 10.121 -10.611 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.727 10.175 -11.358 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.135 10.826 -11.759 1.00 0.00 H new ATOM 904 N GLY A 61 7.602 7.961 -5.202 1.00 0.00 N ATOM 905 CA GLY A 61 8.765 8.475 -4.502 1.00 0.00 C ATOM 906 C GLY A 61 8.478 8.776 -3.045 1.00 0.00 C ATOM 907 O GLY A 61 9.387 8.776 -2.214 1.00 0.00 O ATOM 0 H GLY A 61 7.565 6.945 -5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.575 7.748 -4.567 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.111 9.383 -4.996 1.00 0.00 H new ATOM 911 N GLN A 62 7.212 9.034 -2.733 1.00 0.00 N ATOM 912 CA GLN A 62 6.809 9.341 -1.366 1.00 0.00 C ATOM 913 C GLN A 62 6.833 8.087 -0.498 1.00 0.00 C ATOM 914 O GLN A 62 6.793 6.966 -1.005 1.00 0.00 O ATOM 915 CB GLN A 62 5.411 9.960 -1.350 1.00 0.00 C ATOM 916 CG GLN A 62 5.324 11.286 -2.087 1.00 0.00 C ATOM 917 CD GLN A 62 6.268 12.330 -1.523 1.00 0.00 C ATOM 918 OE1 GLN A 62 7.485 12.235 -1.683 1.00 0.00 O ATOM 919 NE2 GLN A 62 5.710 13.334 -0.857 1.00 0.00 N ATOM 0 H GLN A 62 6.448 9.036 -3.409 1.00 0.00 H new ATOM 0 HA GLN A 62 7.520 10.059 -0.957 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.707 9.258 -1.797 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.100 10.108 -0.316 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.552 11.127 -3.141 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.302 11.660 -2.035 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.697 13.373 -0.748 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.295 14.066 -0.454 1.00 0.00 H new ATOM 928 N THR A 63 6.899 8.284 0.816 1.00 0.00 N ATOM 929 CA THR A 63 6.930 7.170 1.755 1.00 0.00 C ATOM 930 C THR A 63 6.206 7.522 3.049 1.00 0.00 C ATOM 931 O THR A 63 6.290 8.650 3.532 1.00 0.00 O ATOM 932 CB THR A 63 8.376 6.753 2.085 1.00 0.00 C ATOM 933 OG1 THR A 63 9.173 6.768 0.896 1.00 0.00 O ATOM 934 CG2 THR A 63 8.410 5.366 2.708 1.00 0.00 C ATOM 0 H THR A 63 6.932 9.205 1.253 1.00 0.00 H new ATOM 0 HA THR A 63 6.421 6.336 1.273 1.00 0.00 H new ATOM 0 HB THR A 63 8.782 7.466 2.803 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.091 6.503 1.114 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.441 5.093 2.932 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.826 5.366 3.628 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.987 4.643 2.010 1.00 0.00 H new ATOM 942 N GLY A 64 5.495 6.547 3.609 1.00 0.00 N ATOM 943 CA GLY A 64 4.767 6.775 4.843 1.00 0.00 C ATOM 944 C GLY A 64 3.994 5.551 5.294 1.00 0.00 C ATOM 945 O GLY A 64 3.957 4.540 4.594 1.00 0.00 O ATOM 0 H GLY A 64 5.411 5.604 3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.467 7.068 5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.076 7.607 4.706 1.00 0.00 H new ATOM 949 N ILE A 65 3.378 5.643 6.468 1.00 0.00 N ATOM 950 CA ILE A 65 2.603 4.534 7.011 1.00 0.00 C ATOM 951 C ILE A 65 1.142 4.622 6.583 1.00 0.00 C ATOM 952 O ILE A 65 0.626 5.708 6.319 1.00 0.00 O ATOM 953 CB ILE A 65 2.673 4.499 8.549 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.254 5.850 9.132 1.00 0.00 C ATOM 955 CG2 ILE A 65 4.077 4.131 9.007 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.650 5.750 10.515 1.00 0.00 C ATOM 0 H ILE A 65 3.400 6.473 7.061 1.00 0.00 H new ATOM 0 HA ILE A 65 3.041 3.619 6.613 1.00 0.00 H new ATOM 0 HB ILE A 65 1.982 3.738 8.912 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.124 6.505 9.171 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.532 6.318 8.462 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.111 4.110 10.096 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.341 3.148 8.617 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.786 4.871 8.636 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.377 6.745 10.865 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.761 5.121 10.479 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.377 5.312 11.199 1.00 0.00 H new ATOM 968 N PHE A 66 0.480 3.471 6.517 1.00 0.00 N ATOM 969 CA PHE A 66 -0.922 3.418 6.121 1.00 0.00 C ATOM 970 C PHE A 66 -1.546 2.080 6.508 1.00 0.00 C ATOM 971 O PHE A 66 -0.869 1.056 6.606 1.00 0.00 O ATOM 972 CB PHE A 66 -1.057 3.639 4.613 1.00 0.00 C ATOM 973 CG PHE A 66 -0.474 2.526 3.790 1.00 0.00 C ATOM 974 CD1 PHE A 66 -1.246 1.432 3.433 1.00 0.00 C ATOM 975 CD2 PHE A 66 0.847 2.574 3.373 1.00 0.00 C ATOM 976 CE1 PHE A 66 -0.713 0.407 2.675 1.00 0.00 C ATOM 977 CE2 PHE A 66 1.385 1.552 2.614 1.00 0.00 C ATOM 978 CZ PHE A 66 0.605 0.467 2.266 1.00 0.00 C ATOM 0 H PHE A 66 0.892 2.563 6.733 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.452 4.212 6.646 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.112 3.751 4.363 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.565 4.574 4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.277 1.380 3.751 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.462 3.419 3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.326 -0.440 2.403 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.415 1.602 2.293 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.025 -0.333 1.675 1.00 0.00 H new ATOM 988 N PRO A 67 -2.868 2.088 6.736 1.00 0.00 N ATOM 989 CA PRO A 67 -3.613 0.884 7.116 1.00 0.00 C ATOM 990 C PRO A 67 -3.716 -0.119 5.973 1.00 0.00 C ATOM 991 O PRO A 67 -4.219 0.202 4.896 1.00 0.00 O ATOM 992 CB PRO A 67 -4.998 1.424 7.481 1.00 0.00 C ATOM 993 CG PRO A 67 -5.123 2.694 6.712 1.00 0.00 C ATOM 994 CD PRO A 67 -3.737 3.272 6.639 1.00 0.00 C ATOM 0 HA PRO A 67 -3.125 0.342 7.926 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.783 0.718 7.210 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.085 1.600 8.553 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.522 2.509 5.715 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.808 3.383 7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.576 3.813 5.707 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.551 3.974 7.452 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.238 -1.336 6.213 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.279 -2.386 5.204 1.00 0.00 C ATOM 1004 C ALA A 68 -4.713 -2.684 4.780 1.00 0.00 C ATOM 1005 O ALA A 68 -4.949 -3.272 3.726 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.608 -3.648 5.727 1.00 0.00 C ATOM 0 H ALA A 68 -2.818 -1.618 7.098 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.734 -2.035 4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.646 -4.424 4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.568 -3.432 5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.128 -3.993 6.620 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.668 -2.276 5.610 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.079 -2.501 5.322 1.00 0.00 C ATOM 1014 C ASN A 69 -7.543 -1.627 4.160 1.00 0.00 C ATOM 1015 O ASN A 69 -8.611 -1.851 3.589 1.00 0.00 O ATOM 1016 CB ASN A 69 -7.927 -2.211 6.562 1.00 0.00 C ATOM 1017 CG ASN A 69 -7.341 -1.105 7.418 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -6.283 -1.425 8.154 1.00 0.00 O flip ATOM 1019 ND2 ASN A 69 -7.833 0.024 7.416 1.00 0.00 N flip ATOM 0 H ASN A 69 -5.490 -1.788 6.488 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.204 -3.547 5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.934 -1.932 6.253 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.016 -3.119 7.158 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.646 0.225 6.834 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.427 0.758 7.996 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.733 -0.633 3.814 1.00 0.00 N ATOM 1027 CA TYR A 70 -7.060 0.275 2.722 1.00 0.00 C ATOM 1028 C TYR A 70 -6.488 -0.232 1.402 1.00 0.00 C ATOM 1029 O TYR A 70 -6.807 0.288 0.332 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.523 1.677 3.018 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.501 2.554 3.766 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -8.116 2.108 4.929 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -7.810 3.830 3.311 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -9.011 2.906 5.616 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -8.702 4.635 3.991 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.300 4.169 5.143 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.190 4.967 5.825 1.00 0.00 O ATOM 0 H TYR A 70 -5.845 -0.436 4.275 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.145 0.320 2.634 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.606 1.590 3.601 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.258 2.162 2.078 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.891 1.120 5.303 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.344 4.199 2.409 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.481 2.543 6.518 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.930 5.624 3.623 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.282 5.825 5.361 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.640 -1.253 1.485 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.024 -1.834 0.298 1.00 0.00 C ATOM 1049 C VAL A 71 -5.238 -3.342 0.250 1.00 0.00 C ATOM 1050 O VAL A 71 -5.892 -3.917 1.122 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.513 -1.539 0.249 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.238 -0.092 0.630 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -2.755 -2.492 1.160 1.00 0.00 C ATOM 0 H VAL A 71 -5.364 -1.695 2.362 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.505 -1.374 -0.566 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.163 -1.693 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.165 0.097 0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.750 0.571 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.601 0.093 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.689 -2.269 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.106 -2.372 2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.926 -3.519 0.836 1.00 0.00 H new ATOM 1063 N THR A 72 -4.683 -3.981 -0.776 1.00 0.00 N ATOM 1064 CA THR A 72 -4.814 -5.423 -0.939 1.00 0.00 C ATOM 1065 C THR A 72 -3.605 -6.006 -1.662 1.00 0.00 C ATOM 1066 O THR A 72 -3.126 -5.442 -2.645 1.00 0.00 O ATOM 1067 CB THR A 72 -6.090 -5.787 -1.720 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.202 -7.210 -1.841 1.00 0.00 O ATOM 1069 CG2 THR A 72 -6.076 -5.155 -3.104 1.00 0.00 C ATOM 0 H THR A 72 -4.139 -3.522 -1.506 1.00 0.00 H new ATOM 0 HA THR A 72 -4.876 -5.850 0.062 1.00 0.00 H new ATOM 0 HB THR A 72 -6.948 -5.401 -1.170 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.017 -7.433 -2.337 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.987 -5.426 -3.637 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.021 -4.071 -3.008 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.210 -5.515 -3.660 1.00 0.00 H new