USER MOD reduce.3.24.130724 H: found=0, std=0, add=310, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 311 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.0331 (180deg=-0.472) USER MOD Single : A 60 SER OG : rot -61:sc= 0.54 USER MOD Single : A 61 GLN : amide:sc= -3.63! C(o=-3.6!,f=-3.2!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 83:sc= 0.00215 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.384 K(o=-0.38,f=-2.6!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.485 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -3.01! C(o=-3!,f=-4.9!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 90 LYS NZ :NH3+ 129:sc= -0.147 (180deg=-0.816) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 213 N VAL A 54 -31.080 5.513 0.464 1.00 0.00 N ATOM 214 CA VAL A 54 -30.339 4.643 -0.447 1.00 0.00 C ATOM 215 C VAL A 54 -29.454 3.665 0.325 1.00 0.00 C ATOM 216 O VAL A 54 -28.567 4.071 1.076 1.00 0.00 O ATOM 217 CB VAL A 54 -29.483 5.490 -1.387 1.00 0.00 C ATOM 218 CG1 VAL A 54 -30.359 6.050 -2.508 1.00 0.00 C ATOM 219 CG2 VAL A 54 -28.864 6.652 -0.606 1.00 0.00 C ATOM 0 HA VAL A 54 -31.056 4.065 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 54 -28.693 4.871 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -29.749 6.655 -3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -30.806 5.227 -3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -31.148 6.668 -2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -28.253 7.257 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -29.657 7.269 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -28.241 6.259 0.198 1.00 0.00 H new ATOM 229 N VAL A 55 -29.708 2.375 0.127 1.00 0.00 N ATOM 230 CA VAL A 55 -28.941 1.326 0.794 1.00 0.00 C ATOM 231 C VAL A 55 -27.486 1.316 0.323 1.00 0.00 C ATOM 232 O VAL A 55 -26.565 1.133 1.120 1.00 0.00 O ATOM 233 CB VAL A 55 -29.575 -0.037 0.512 1.00 0.00 C ATOM 234 CG1 VAL A 55 -28.660 -1.146 1.036 1.00 0.00 C ATOM 235 CG2 VAL A 55 -30.934 -0.124 1.213 1.00 0.00 C ATOM 0 H VAL A 55 -30.441 2.029 -0.492 1.00 0.00 H new ATOM 0 HA VAL A 55 -28.954 1.529 1.865 1.00 0.00 H new ATOM 0 HB VAL A 55 -29.712 -0.157 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -29.113 -2.117 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -27.693 -1.086 0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -28.522 -1.026 2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -31.386 -1.095 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -30.798 -0.003 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -31.587 0.664 0.839 1.00 0.00 H new ATOM 245 N LYS A 56 -27.295 1.485 -0.981 1.00 0.00 N ATOM 246 CA LYS A 56 -25.959 1.468 -1.572 1.00 0.00 C ATOM 247 C LYS A 56 -25.055 2.544 -0.973 1.00 0.00 C ATOM 248 O LYS A 56 -23.837 2.501 -1.139 1.00 0.00 O ATOM 249 CB LYS A 56 -26.060 1.660 -3.089 1.00 0.00 C ATOM 250 CG LYS A 56 -26.644 3.041 -3.400 1.00 0.00 C ATOM 251 CD LYS A 56 -26.791 3.203 -4.914 1.00 0.00 C ATOM 252 CE LYS A 56 -27.437 4.555 -5.220 1.00 0.00 C ATOM 253 NZ LYS A 56 -26.550 5.651 -4.738 1.00 0.00 N ATOM 0 H LYS A 56 -28.049 1.636 -1.651 1.00 0.00 H new ATOM 0 HA LYS A 56 -25.512 0.499 -1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -25.074 1.561 -3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -26.690 0.883 -3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -27.614 3.155 -2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -25.995 3.820 -3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -25.815 3.137 -5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -27.401 2.396 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -27.606 4.655 -6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -28.411 4.622 -4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -26.819 6.543 -5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -26.650 5.750 -3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -25.562 5.425 -4.970 1.00 0.00 H new ATOM 267 N VAL A 57 -25.646 3.515 -0.288 1.00 0.00 N ATOM 268 CA VAL A 57 -24.856 4.589 0.305 1.00 0.00 C ATOM 269 C VAL A 57 -23.683 4.018 1.097 1.00 0.00 C ATOM 270 O VAL A 57 -22.605 4.610 1.136 1.00 0.00 O ATOM 271 CB VAL A 57 -25.732 5.430 1.234 1.00 0.00 C ATOM 272 CG1 VAL A 57 -26.124 4.598 2.457 1.00 0.00 C ATOM 273 CG2 VAL A 57 -24.953 6.668 1.689 1.00 0.00 C ATOM 0 H VAL A 57 -26.651 3.583 -0.130 1.00 0.00 H new ATOM 0 HA VAL A 57 -24.470 5.215 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 57 -26.631 5.741 0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -26.749 5.197 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -26.678 3.716 2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -25.225 4.287 2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -25.577 7.268 2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -24.054 6.357 2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -24.673 7.262 0.819 1.00 0.00 H new ATOM 283 N VAL A 58 -23.896 2.865 1.722 1.00 0.00 N ATOM 284 CA VAL A 58 -22.840 2.227 2.500 1.00 0.00 C ATOM 285 C VAL A 58 -21.851 1.513 1.583 1.00 0.00 C ATOM 286 O VAL A 58 -20.663 1.421 1.889 1.00 0.00 O ATOM 287 CB VAL A 58 -23.446 1.225 3.483 1.00 0.00 C ATOM 288 CG1 VAL A 58 -24.391 1.954 4.439 1.00 0.00 C ATOM 289 CG2 VAL A 58 -24.226 0.162 2.707 1.00 0.00 C ATOM 0 H VAL A 58 -24.781 2.357 1.706 1.00 0.00 H new ATOM 0 HA VAL A 58 -22.308 3.000 3.054 1.00 0.00 H new ATOM 0 HB VAL A 58 -22.649 0.749 4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -24.823 1.239 5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -23.836 2.713 4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -25.189 2.430 3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -24.659 -0.554 3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -25.022 0.639 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.553 -0.358 2.025 1.00 0.00 H new ATOM 299 N GLU A 59 -22.352 0.998 0.464 1.00 0.00 N ATOM 300 CA GLU A 59 -21.500 0.282 -0.479 1.00 0.00 C ATOM 301 C GLU A 59 -20.406 1.194 -1.023 1.00 0.00 C ATOM 302 O GLU A 59 -19.260 0.772 -1.174 1.00 0.00 O ATOM 303 CB GLU A 59 -22.334 -0.264 -1.639 1.00 0.00 C ATOM 304 CG GLU A 59 -23.218 -1.407 -1.139 1.00 0.00 C ATOM 305 CD GLU A 59 -24.172 -1.849 -2.242 1.00 0.00 C ATOM 306 OE1 GLU A 59 -24.273 -1.140 -3.230 1.00 0.00 O ATOM 307 OE2 GLU A 59 -24.787 -2.892 -2.085 1.00 0.00 O ATOM 0 H GLU A 59 -23.332 1.062 0.190 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.033 -0.548 0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.951 0.529 -2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.680 -0.618 -2.436 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -22.598 -2.247 -0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -23.784 -1.084 -0.265 1.00 0.00 H new ATOM 314 N SER A 60 -20.754 2.444 -1.310 1.00 0.00 N ATOM 315 CA SER A 60 -19.770 3.385 -1.830 1.00 0.00 C ATOM 316 C SER A 60 -18.663 3.602 -0.803 1.00 0.00 C ATOM 317 O SER A 60 -17.486 3.688 -1.147 1.00 0.00 O ATOM 318 CB SER A 60 -20.442 4.720 -2.155 1.00 0.00 C ATOM 319 OG SER A 60 -20.978 5.279 -0.963 1.00 0.00 O ATOM 0 H SER A 60 -21.693 2.824 -1.194 1.00 0.00 H new ATOM 0 HA SER A 60 -19.336 2.973 -2.741 1.00 0.00 H new ATOM 0 HB2 SER A 60 -19.720 5.405 -2.599 1.00 0.00 H new ATOM 0 HB3 SER A 60 -21.234 4.572 -2.889 1.00 0.00 H new ATOM 0 HG SER A 60 -21.652 4.672 -0.591 1.00 0.00 H new ATOM 325 N GLN A 61 -19.057 3.671 0.466 1.00 0.00 N ATOM 326 CA GLN A 61 -18.102 3.857 1.553 1.00 0.00 C ATOM 327 C GLN A 61 -17.233 2.610 1.714 1.00 0.00 C ATOM 328 O GLN A 61 -16.044 2.700 2.021 1.00 0.00 O ATOM 329 CB GLN A 61 -18.847 4.142 2.862 1.00 0.00 C ATOM 330 CG GLN A 61 -17.863 4.616 3.939 1.00 0.00 C ATOM 331 CD GLN A 61 -17.037 3.442 4.454 1.00 0.00 C ATOM 332 OE1 GLN A 61 -15.819 3.553 4.598 1.00 0.00 O ATOM 333 NE2 GLN A 61 -17.630 2.317 4.745 1.00 0.00 N ATOM 0 H GLN A 61 -20.029 3.601 0.766 1.00 0.00 H new ATOM 0 HA GLN A 61 -17.461 4.705 1.313 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -19.610 4.902 2.696 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -19.361 3.242 3.200 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -17.204 5.381 3.528 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -18.409 5.075 4.763 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -18.639 2.226 4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.085 1.528 5.092 1.00 0.00 H new ATOM 342 N ALA A 62 -17.844 1.452 1.491 1.00 0.00 N ATOM 343 CA ALA A 62 -17.131 0.183 1.596 1.00 0.00 C ATOM 344 C ALA A 62 -16.043 0.084 0.529 1.00 0.00 C ATOM 345 O ALA A 62 -14.946 -0.409 0.789 1.00 0.00 O ATOM 346 CB ALA A 62 -18.112 -0.983 1.442 1.00 0.00 C ATOM 0 H ALA A 62 -18.828 1.365 1.237 1.00 0.00 H new ATOM 0 HA ALA A 62 -16.661 0.134 2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -17.571 -1.926 1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -18.867 -0.930 2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -18.597 -0.924 0.468 1.00 0.00 H new ATOM 352 N GLU A 63 -16.363 0.548 -0.677 1.00 0.00 N ATOM 353 CA GLU A 63 -15.415 0.499 -1.788 1.00 0.00 C ATOM 354 C GLU A 63 -14.184 1.353 -1.506 1.00 0.00 C ATOM 355 O GLU A 63 -13.066 0.970 -1.844 1.00 0.00 O ATOM 356 CB GLU A 63 -16.089 0.984 -3.073 1.00 0.00 C ATOM 357 CG GLU A 63 -17.143 -0.034 -3.516 1.00 0.00 C ATOM 358 CD GLU A 63 -16.462 -1.307 -4.009 1.00 0.00 C ATOM 359 OE1 GLU A 63 -15.269 -1.260 -4.260 1.00 0.00 O ATOM 360 OE2 GLU A 63 -17.144 -2.312 -4.129 1.00 0.00 O ATOM 0 H GLU A 63 -17.267 0.960 -0.909 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.095 -0.536 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.554 1.956 -2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.345 1.117 -3.858 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.809 -0.266 -2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -17.759 0.390 -4.309 1.00 0.00 H new ATOM 367 N LEU A 64 -14.391 2.516 -0.900 1.00 0.00 N ATOM 368 CA LEU A 64 -13.282 3.410 -0.598 1.00 0.00 C ATOM 369 C LEU A 64 -12.279 2.721 0.324 1.00 0.00 C ATOM 370 O LEU A 64 -11.071 2.769 0.090 1.00 0.00 O ATOM 371 CB LEU A 64 -13.823 4.682 0.069 1.00 0.00 C ATOM 372 CG LEU A 64 -12.676 5.645 0.397 1.00 0.00 C ATOM 373 CD1 LEU A 64 -11.956 6.050 -0.892 1.00 0.00 C ATOM 374 CD2 LEU A 64 -13.252 6.891 1.067 1.00 0.00 C ATOM 0 H LEU A 64 -15.307 2.859 -0.611 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.772 3.674 -1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -14.538 5.171 -0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.359 4.421 0.981 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.967 5.156 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.142 6.734 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.553 5.162 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.660 6.543 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.444 7.583 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.957 7.375 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.767 6.606 1.984 1.00 0.00 H new ATOM 386 N TYR A 65 -12.788 2.075 1.369 1.00 0.00 N ATOM 387 CA TYR A 65 -11.927 1.375 2.317 1.00 0.00 C ATOM 388 C TYR A 65 -11.133 0.273 1.620 1.00 0.00 C ATOM 389 O TYR A 65 -9.920 0.162 1.793 1.00 0.00 O ATOM 390 CB TYR A 65 -12.778 0.768 3.437 1.00 0.00 C ATOM 391 CG TYR A 65 -11.900 -0.040 4.362 1.00 0.00 C ATOM 392 CD1 TYR A 65 -11.103 0.609 5.314 1.00 0.00 C ATOM 393 CD2 TYR A 65 -11.883 -1.436 4.270 1.00 0.00 C ATOM 394 CE1 TYR A 65 -10.290 -0.142 6.174 1.00 0.00 C ATOM 395 CE2 TYR A 65 -11.070 -2.185 5.129 1.00 0.00 C ATOM 396 CZ TYR A 65 -10.273 -1.538 6.080 1.00 0.00 C ATOM 397 OH TYR A 65 -9.472 -2.278 6.927 1.00 0.00 O ATOM 0 H TYR A 65 -13.785 2.022 1.580 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.224 2.093 2.739 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.280 1.559 3.995 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -13.556 0.134 3.013 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.115 1.687 5.385 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -12.497 -1.936 3.536 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.676 0.357 6.909 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -11.058 -3.263 5.058 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.580 -3.232 6.729 1.00 0.00 H new ATOM 407 N SER A 66 -11.830 -0.542 0.836 1.00 0.00 N ATOM 408 CA SER A 66 -11.195 -1.642 0.116 1.00 0.00 C ATOM 409 C SER A 66 -10.175 -1.129 -0.895 1.00 0.00 C ATOM 410 O SER A 66 -9.117 -1.725 -1.076 1.00 0.00 O ATOM 411 CB SER A 66 -12.254 -2.472 -0.611 1.00 0.00 C ATOM 412 OG SER A 66 -13.092 -3.107 0.345 1.00 0.00 O ATOM 0 H SER A 66 -12.835 -0.462 0.682 1.00 0.00 H new ATOM 0 HA SER A 66 -10.676 -2.262 0.847 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.848 -1.833 -1.264 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.775 -3.219 -1.245 1.00 0.00 H new ATOM 0 HG SER A 66 -13.782 -2.479 0.644 1.00 0.00 H new ATOM 418 N LEU A 67 -10.507 -0.030 -1.566 1.00 0.00 N ATOM 419 CA LEU A 67 -9.619 0.540 -2.576 1.00 0.00 C ATOM 420 C LEU A 67 -8.160 0.470 -2.133 1.00 0.00 C ATOM 421 O LEU A 67 -7.303 -0.004 -2.879 1.00 0.00 O ATOM 422 CB LEU A 67 -10.004 2.002 -2.841 1.00 0.00 C ATOM 423 CG LEU A 67 -10.306 2.217 -4.329 1.00 0.00 C ATOM 424 CD1 LEU A 67 -9.081 1.842 -5.165 1.00 0.00 C ATOM 425 CD2 LEU A 67 -11.499 1.352 -4.747 1.00 0.00 C ATOM 0 H LEU A 67 -11.379 0.482 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.729 -0.043 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.877 2.268 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.193 2.660 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.548 3.267 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.300 1.996 -6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.237 2.467 -4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.832 0.795 -4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.709 1.509 -5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.265 0.301 -4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.374 1.629 -4.158 1.00 0.00 H new ATOM 437 N GLU A 68 -7.878 0.937 -0.924 1.00 0.00 N ATOM 438 CA GLU A 68 -6.508 0.909 -0.418 1.00 0.00 C ATOM 439 C GLU A 68 -6.017 -0.529 -0.287 1.00 0.00 C ATOM 440 O GLU A 68 -4.871 -0.840 -0.610 1.00 0.00 O ATOM 441 CB GLU A 68 -6.438 1.600 0.945 1.00 0.00 C ATOM 442 CG GLU A 68 -6.641 3.105 0.763 1.00 0.00 C ATOM 443 CD GLU A 68 -6.746 3.783 2.123 1.00 0.00 C ATOM 444 OE1 GLU A 68 -6.879 3.074 3.108 1.00 0.00 O ATOM 445 OE2 GLU A 68 -6.693 5.001 2.162 1.00 0.00 O ATOM 0 H GLU A 68 -8.565 1.334 -0.283 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.869 1.438 -1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.202 1.197 1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.473 1.406 1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.809 3.527 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.545 3.291 0.183 1.00 0.00 H new ATOM 452 N LYS A 69 -6.895 -1.396 0.199 1.00 0.00 N ATOM 453 CA LYS A 69 -6.534 -2.797 0.380 1.00 0.00 C ATOM 454 C LYS A 69 -6.292 -3.456 -0.976 1.00 0.00 C ATOM 455 O LYS A 69 -5.352 -4.231 -1.142 1.00 0.00 O ATOM 456 CB LYS A 69 -7.658 -3.536 1.114 1.00 0.00 C ATOM 457 CG LYS A 69 -7.714 -3.073 2.577 1.00 0.00 C ATOM 458 CD LYS A 69 -6.759 -3.910 3.444 1.00 0.00 C ATOM 459 CE LYS A 69 -7.438 -5.219 3.867 1.00 0.00 C ATOM 460 NZ LYS A 69 -6.541 -5.962 4.798 1.00 0.00 N ATOM 0 H LYS A 69 -7.849 -1.160 0.472 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.620 -2.849 0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.613 -3.343 0.625 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.488 -4.612 1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.444 -2.019 2.642 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.732 -3.165 2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.847 -4.128 2.888 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.465 -3.342 4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.390 -5.007 4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.656 -5.829 2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.999 -6.850 5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.643 -6.175 4.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.355 -5.380 5.639 1.00 0.00 H new ATOM 474 N ASN A 70 -7.146 -3.137 -1.941 1.00 0.00 N ATOM 475 CA ASN A 70 -7.020 -3.696 -3.281 1.00 0.00 C ATOM 476 C ASN A 70 -6.955 -5.218 -3.217 1.00 0.00 C ATOM 477 O ASN A 70 -6.445 -5.866 -4.129 1.00 0.00 O ATOM 478 CB ASN A 70 -5.760 -3.149 -3.956 1.00 0.00 C ATOM 479 CG ASN A 70 -5.880 -3.263 -5.473 1.00 0.00 C ATOM 480 OD1 ASN A 70 -6.932 -3.638 -5.990 1.00 0.00 O ATOM 481 ND2 ASN A 70 -4.859 -2.951 -6.222 1.00 0.00 N ATOM 0 H ASN A 70 -7.931 -2.496 -1.821 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.894 -3.407 -3.865 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.611 -2.107 -3.673 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.886 -3.701 -3.611 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.932 -3.018 -7.237 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -3.988 -2.640 -5.793 1.00 0.00 H new ATOM 488 N GLU A 71 -7.481 -5.780 -2.134 1.00 0.00 N ATOM 489 CA GLU A 71 -7.486 -7.229 -1.956 1.00 0.00 C ATOM 490 C GLU A 71 -6.175 -7.847 -2.437 1.00 0.00 C ATOM 491 O GLU A 71 -6.141 -9.013 -2.834 1.00 0.00 O ATOM 492 CB GLU A 71 -8.656 -7.843 -2.729 1.00 0.00 C ATOM 493 CG GLU A 71 -9.975 -7.411 -2.084 1.00 0.00 C ATOM 494 CD GLU A 71 -11.150 -7.933 -2.902 1.00 0.00 C ATOM 495 OE1 GLU A 71 -10.913 -8.447 -3.983 1.00 0.00 O ATOM 496 OE2 GLU A 71 -12.271 -7.808 -2.437 1.00 0.00 O ATOM 0 H GLU A 71 -7.908 -5.258 -1.369 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.596 -7.440 -0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.626 -7.523 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.577 -8.930 -2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.033 -7.792 -1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.020 -6.324 -2.021 1.00 0.00 H new ATOM 503 N ASP A 72 -5.095 -7.065 -2.396 1.00 0.00 N ATOM 504 CA ASP A 72 -3.786 -7.553 -2.829 1.00 0.00 C ATOM 505 C ASP A 72 -2.753 -7.416 -1.713 1.00 0.00 C ATOM 506 O ASP A 72 -2.628 -6.359 -1.096 1.00 0.00 O ATOM 507 CB ASP A 72 -3.313 -6.771 -4.057 1.00 0.00 C ATOM 508 CG ASP A 72 -4.313 -6.933 -5.195 1.00 0.00 C ATOM 509 OD1 ASP A 72 -4.731 -8.053 -5.438 1.00 0.00 O ATOM 510 OD2 ASP A 72 -4.650 -5.932 -5.808 1.00 0.00 O ATOM 0 H ASP A 72 -5.101 -6.099 -2.070 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.888 -8.608 -3.083 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.203 -5.716 -3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.332 -7.128 -4.370 1.00 0.00 H new ATOM 515 N ALA A 73 -2.021 -8.496 -1.454 1.00 0.00 N ATOM 516 CA ALA A 73 -1.007 -8.490 -0.404 1.00 0.00 C ATOM 517 C ALA A 73 0.027 -7.395 -0.654 1.00 0.00 C ATOM 518 O ALA A 73 0.395 -7.120 -1.797 1.00 0.00 O ATOM 519 CB ALA A 73 -0.310 -9.850 -0.341 1.00 0.00 C ATOM 0 H ALA A 73 -2.110 -9.381 -1.953 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.502 -8.291 0.547 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.445 -9.836 0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.045 -10.626 -0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.167 -10.059 -1.298 1.00 0.00 H new ATOM 525 N SER A 74 0.480 -6.771 0.427 1.00 0.00 N ATOM 526 CA SER A 74 1.465 -5.700 0.334 1.00 0.00 C ATOM 527 C SER A 74 2.865 -6.273 0.176 1.00 0.00 C ATOM 528 O SER A 74 3.077 -7.474 0.335 1.00 0.00 O ATOM 529 CB SER A 74 1.412 -4.822 1.582 1.00 0.00 C ATOM 530 OG SER A 74 1.912 -5.553 2.693 1.00 0.00 O ATOM 0 H SER A 74 0.181 -6.988 1.378 1.00 0.00 H new ATOM 0 HA SER A 74 1.228 -5.096 -0.542 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.003 -3.919 1.431 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.387 -4.504 1.773 1.00 0.00 H new ATOM 0 HG SER A 74 1.881 -4.991 3.495 1.00 0.00 H new ATOM 536 N LEU A 75 3.824 -5.404 -0.123 1.00 0.00 N ATOM 537 CA LEU A 75 5.203 -5.836 -0.279 1.00 0.00 C ATOM 538 C LEU A 75 5.747 -6.338 1.049 1.00 0.00 C ATOM 539 O LEU A 75 6.716 -7.096 1.086 1.00 0.00 O ATOM 540 CB LEU A 75 6.065 -4.679 -0.786 1.00 0.00 C ATOM 541 CG LEU A 75 6.010 -4.627 -2.314 1.00 0.00 C ATOM 542 CD1 LEU A 75 4.562 -4.440 -2.767 1.00 0.00 C ATOM 543 CD2 LEU A 75 6.856 -3.453 -2.813 1.00 0.00 C ATOM 0 H LEU A 75 3.672 -4.405 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 75 5.234 -6.647 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.710 -3.737 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.095 -4.807 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 75 6.400 -5.558 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.523 -4.403 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.959 -5.275 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.170 -3.509 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.818 -3.414 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.464 -2.522 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.889 -3.586 -2.490 1.00 0.00 H new ATOM 555 N ARG A 76 5.106 -5.929 2.141 1.00 0.00 N ATOM 556 CA ARG A 76 5.524 -6.363 3.468 1.00 0.00 C ATOM 557 C ARG A 76 4.940 -7.738 3.775 1.00 0.00 C ATOM 558 O ARG A 76 5.521 -8.521 4.527 1.00 0.00 O ATOM 559 CB ARG A 76 5.053 -5.356 4.519 1.00 0.00 C ATOM 560 CG ARG A 76 5.822 -4.047 4.344 1.00 0.00 C ATOM 561 CD ARG A 76 5.352 -3.034 5.387 1.00 0.00 C ATOM 562 NE ARG A 76 6.084 -1.783 5.235 1.00 0.00 N ATOM 563 CZ ARG A 76 5.869 -0.755 6.049 1.00 0.00 C ATOM 564 NH1 ARG A 76 6.543 0.350 5.895 1.00 0.00 N ATOM 565 NH2 ARG A 76 4.983 -0.854 7.001 1.00 0.00 N ATOM 0 H ARG A 76 4.301 -5.302 2.132 1.00 0.00 H new ATOM 0 HA ARG A 76 6.612 -6.424 3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.982 -5.179 4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.215 -5.755 5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.892 -4.225 4.451 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.664 -3.652 3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.283 -2.855 5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.505 -3.435 6.389 1.00 0.00 H new ATOM 0 HE ARG A 76 6.775 -1.695 4.490 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.235 0.425 5.150 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.378 1.139 6.520 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.457 -1.720 7.120 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.817 -0.066 7.627 1.00 0.00 H new ATOM 579 N LYS A 77 3.784 -8.022 3.180 1.00 0.00 N ATOM 580 CA LYS A 77 3.116 -9.303 3.385 1.00 0.00 C ATOM 581 C LYS A 77 3.925 -10.428 2.754 1.00 0.00 C ATOM 582 O LYS A 77 3.903 -11.563 3.228 1.00 0.00 O ATOM 583 CB LYS A 77 1.708 -9.267 2.777 1.00 0.00 C ATOM 584 CG LYS A 77 0.807 -8.321 3.585 1.00 0.00 C ATOM 585 CD LYS A 77 0.212 -9.052 4.794 1.00 0.00 C ATOM 586 CE LYS A 77 -0.764 -8.124 5.518 1.00 0.00 C ATOM 587 NZ LYS A 77 -1.374 -8.845 6.671 1.00 0.00 N ATOM 0 H LYS A 77 3.292 -7.384 2.554 1.00 0.00 H new ATOM 0 HA LYS A 77 3.036 -9.486 4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.760 -8.935 1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.281 -10.270 2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.383 -7.459 3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.006 -7.942 2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.302 -9.957 4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.007 -9.363 5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.243 -7.232 5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.542 -7.790 4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.038 -8.214 7.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.884 -9.683 6.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.626 -9.142 7.330 1.00 0.00 H new ATOM 601 N LEU A 78 4.664 -10.096 1.703 1.00 0.00 N ATOM 602 CA LEU A 78 5.510 -11.081 1.037 1.00 0.00 C ATOM 603 C LEU A 78 6.893 -11.074 1.674 1.00 0.00 C ATOM 604 O LEU A 78 7.455 -12.122 1.994 1.00 0.00 O ATOM 605 CB LEU A 78 5.622 -10.750 -0.452 1.00 0.00 C ATOM 606 CG LEU A 78 4.277 -11.008 -1.139 1.00 0.00 C ATOM 607 CD1 LEU A 78 4.326 -10.476 -2.571 1.00 0.00 C ATOM 608 CD2 LEU A 78 3.978 -12.514 -1.164 1.00 0.00 C ATOM 0 H LEU A 78 4.696 -9.161 1.296 1.00 0.00 H new ATOM 0 HA LEU A 78 5.066 -12.071 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.914 -9.708 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.400 -11.359 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 78 3.490 -10.497 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.369 -10.659 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.526 -9.405 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.118 -10.984 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.020 -12.687 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.765 -13.032 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.937 -12.894 -0.143 1.00 0.00 H new ATOM 620 N GLN A 79 7.439 -9.875 1.833 1.00 0.00 N ATOM 621 CA GLN A 79 8.770 -9.708 2.406 1.00 0.00 C ATOM 622 C GLN A 79 8.861 -10.360 3.780 1.00 0.00 C ATOM 623 O GLN A 79 9.914 -10.879 4.150 1.00 0.00 O ATOM 624 CB GLN A 79 9.111 -8.221 2.523 1.00 0.00 C ATOM 625 CG GLN A 79 10.584 -8.050 2.913 1.00 0.00 C ATOM 626 CD GLN A 79 10.756 -8.266 4.413 1.00 0.00 C ATOM 627 OE1 GLN A 79 9.847 -7.973 5.191 1.00 0.00 O ATOM 628 NE2 GLN A 79 11.871 -8.769 4.867 1.00 0.00 N ATOM 0 H GLN A 79 6.980 -9.002 1.573 1.00 0.00 H new ATOM 0 HA GLN A 79 9.484 -10.195 1.742 1.00 0.00 H new ATOM 0 HB2 GLN A 79 8.917 -7.719 1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 79 8.472 -7.750 3.270 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.199 -8.761 2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.928 -7.052 2.639 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.622 -9.011 4.220 1.00 0.00 H new ATOM 0 HE22 GLN A 79 11.992 -8.921 5.868 1.00 0.00 H new ATOM 637 N ALA A 80 7.768 -10.344 4.538 1.00 0.00 N ATOM 638 CA ALA A 80 7.790 -10.955 5.860 1.00 0.00 C ATOM 639 C ALA A 80 8.150 -12.431 5.730 1.00 0.00 C ATOM 640 O ALA A 80 8.938 -12.961 6.513 1.00 0.00 O ATOM 641 CB ALA A 80 6.422 -10.812 6.530 1.00 0.00 C ATOM 0 H ALA A 80 6.878 -9.926 4.268 1.00 0.00 H new ATOM 0 HA ALA A 80 8.536 -10.451 6.475 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.451 -11.272 7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.174 -9.755 6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.665 -11.306 5.921 1.00 0.00 H new ATOM 647 N ASP A 81 7.584 -13.082 4.719 1.00 0.00 N ATOM 648 CA ASP A 81 7.868 -14.493 4.476 1.00 0.00 C ATOM 649 C ASP A 81 9.286 -14.635 3.932 1.00 0.00 C ATOM 650 O ASP A 81 9.822 -15.738 3.820 1.00 0.00 O ATOM 651 CB ASP A 81 6.867 -15.069 3.472 1.00 0.00 C ATOM 652 CG ASP A 81 5.489 -15.191 4.118 1.00 0.00 C ATOM 653 OD1 ASP A 81 5.410 -15.075 5.329 1.00 0.00 O ATOM 654 OD2 ASP A 81 4.532 -15.402 3.390 1.00 0.00 O ATOM 0 H ASP A 81 6.931 -12.660 4.059 1.00 0.00 H new ATOM 0 HA ASP A 81 7.778 -15.043 5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.810 -14.426 2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.205 -16.047 3.130 1.00 0.00 H new ATOM 659 N GLY A 82 9.876 -13.495 3.597 1.00 0.00 N ATOM 660 CA GLY A 82 11.231 -13.463 3.062 1.00 0.00 C ATOM 661 C GLY A 82 11.237 -13.776 1.571 1.00 0.00 C ATOM 662 O GLY A 82 12.285 -14.058 0.991 1.00 0.00 O ATOM 0 H GLY A 82 9.437 -12.579 3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.670 -12.480 3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.852 -14.186 3.591 1.00 0.00 H new ATOM 666 N ARG A 83 10.062 -13.717 0.957 1.00 0.00 N ATOM 667 CA ARG A 83 9.941 -13.991 -0.471 1.00 0.00 C ATOM 668 C ARG A 83 10.760 -12.980 -1.266 1.00 0.00 C ATOM 669 O ARG A 83 11.393 -13.328 -2.263 1.00 0.00 O ATOM 670 CB ARG A 83 8.466 -13.901 -0.895 1.00 0.00 C ATOM 671 CG ARG A 83 7.648 -15.054 -0.292 1.00 0.00 C ATOM 672 CD ARG A 83 7.871 -16.353 -1.080 1.00 0.00 C ATOM 673 NE ARG A 83 7.050 -17.423 -0.527 1.00 0.00 N ATOM 674 CZ ARG A 83 7.494 -18.185 0.468 1.00 0.00 C ATOM 675 NH1 ARG A 83 6.750 -19.150 0.932 1.00 0.00 N ATOM 676 NH2 ARG A 83 8.670 -17.963 0.988 1.00 0.00 N ATOM 0 H ARG A 83 9.184 -13.484 1.421 1.00 0.00 H new ATOM 0 HA ARG A 83 10.316 -14.995 -0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.049 -12.947 -0.573 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.394 -13.929 -1.982 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.933 -15.202 0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.589 -14.797 -0.299 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.621 -16.198 -2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.923 -16.635 -1.041 1.00 0.00 H new ATOM 0 HE ARG A 83 6.119 -17.590 -0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.827 -19.320 0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.091 -19.735 1.695 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.250 -17.204 0.631 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.009 -18.549 1.751 1.00 0.00 H new ATOM 690 N ILE A 84 10.732 -11.726 -0.819 1.00 0.00 N ATOM 691 CA ILE A 84 11.466 -10.661 -1.495 1.00 0.00 C ATOM 692 C ILE A 84 12.440 -9.975 -0.547 1.00 0.00 C ATOM 693 O ILE A 84 12.305 -10.059 0.675 1.00 0.00 O ATOM 694 CB ILE A 84 10.486 -9.633 -2.060 1.00 0.00 C ATOM 695 CG1 ILE A 84 9.607 -9.072 -0.935 1.00 0.00 C ATOM 696 CG2 ILE A 84 9.605 -10.304 -3.111 1.00 0.00 C ATOM 697 CD1 ILE A 84 8.783 -7.901 -1.473 1.00 0.00 C ATOM 0 H ILE A 84 10.211 -11.424 0.005 1.00 0.00 H new ATOM 0 HA ILE A 84 12.038 -11.108 -2.308 1.00 0.00 H new ATOM 0 HB ILE A 84 11.044 -8.815 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 84 8.947 -9.850 -0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.228 -8.742 -0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.904 -9.575 -3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 84 10.230 -10.694 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.051 -11.123 -2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.157 -7.500 -0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 84 9.453 -7.121 -1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.151 -8.246 -2.291 1.00 0.00 H new ATOM 709 N THR A 85 13.425 -9.296 -1.124 1.00 0.00 N ATOM 710 CA THR A 85 14.425 -8.595 -0.332 1.00 0.00 C ATOM 711 C THR A 85 13.814 -7.369 0.343 1.00 0.00 C ATOM 712 O THR A 85 12.886 -6.755 -0.183 1.00 0.00 O ATOM 713 CB THR A 85 15.593 -8.169 -1.223 1.00 0.00 C ATOM 714 OG1 THR A 85 16.600 -7.562 -0.425 1.00 0.00 O ATOM 715 CG2 THR A 85 15.100 -7.169 -2.272 1.00 0.00 C ATOM 0 H THR A 85 13.551 -9.217 -2.133 1.00 0.00 H new ATOM 0 HA THR A 85 14.790 -9.272 0.441 1.00 0.00 H new ATOM 0 HB THR A 85 16.005 -9.045 -1.724 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.350 -7.290 -0.995 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.933 -6.866 -2.906 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.328 -7.635 -2.885 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.687 -6.292 -1.773 1.00 0.00 H new ATOM 723 N GLU A 86 14.354 -7.013 1.502 1.00 0.00 N ATOM 724 CA GLU A 86 13.872 -5.851 2.240 1.00 0.00 C ATOM 725 C GLU A 86 14.485 -4.570 1.680 1.00 0.00 C ATOM 726 O GLU A 86 13.899 -3.494 1.778 1.00 0.00 O ATOM 727 CB GLU A 86 14.227 -5.995 3.722 1.00 0.00 C ATOM 728 CG GLU A 86 15.749 -5.982 3.894 1.00 0.00 C ATOM 729 CD GLU A 86 16.111 -6.284 5.343 1.00 0.00 C ATOM 730 OE1 GLU A 86 15.201 -6.495 6.129 1.00 0.00 O ATOM 731 OE2 GLU A 86 17.293 -6.301 5.648 1.00 0.00 O ATOM 0 H GLU A 86 15.124 -7.510 1.951 1.00 0.00 H new ATOM 0 HA GLU A 86 12.789 -5.793 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.780 -5.181 4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.815 -6.924 4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.204 -6.721 3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.148 -5.009 3.606 1.00 0.00 H new ATOM 738 N GLU A 87 15.681 -4.703 1.119 1.00 0.00 N ATOM 739 CA GLU A 87 16.402 -3.558 0.569 1.00 0.00 C ATOM 740 C GLU A 87 15.619 -2.880 -0.552 1.00 0.00 C ATOM 741 O GLU A 87 15.627 -1.654 -0.667 1.00 0.00 O ATOM 742 CB GLU A 87 17.758 -4.010 0.029 1.00 0.00 C ATOM 743 CG GLU A 87 18.673 -4.392 1.194 1.00 0.00 C ATOM 744 CD GLU A 87 19.962 -5.003 0.658 1.00 0.00 C ATOM 745 OE1 GLU A 87 20.006 -5.306 -0.524 1.00 0.00 O ATOM 746 OE2 GLU A 87 20.889 -5.160 1.435 1.00 0.00 O ATOM 0 H GLU A 87 16.173 -5.592 1.032 1.00 0.00 H new ATOM 0 HA GLU A 87 16.537 -2.837 1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.629 -4.861 -0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 87 18.212 -3.211 -0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.899 -3.511 1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.167 -5.102 1.848 1.00 0.00 H new ATOM 753 N GLN A 88 14.956 -3.672 -1.385 1.00 0.00 N ATOM 754 CA GLN A 88 14.192 -3.110 -2.495 1.00 0.00 C ATOM 755 C GLN A 88 13.107 -2.169 -1.981 1.00 0.00 C ATOM 756 O GLN A 88 12.895 -1.092 -2.536 1.00 0.00 O ATOM 757 CB GLN A 88 13.552 -4.235 -3.313 1.00 0.00 C ATOM 758 CG GLN A 88 12.825 -3.639 -4.521 1.00 0.00 C ATOM 759 CD GLN A 88 12.258 -4.752 -5.394 1.00 0.00 C ATOM 760 OE1 GLN A 88 12.438 -5.933 -5.092 1.00 0.00 O ATOM 761 NE2 GLN A 88 11.581 -4.444 -6.465 1.00 0.00 N ATOM 0 H GLN A 88 14.930 -4.689 -1.317 1.00 0.00 H new ATOM 0 HA GLN A 88 14.874 -2.544 -3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.316 -4.937 -3.646 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.852 -4.796 -2.694 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.021 -2.985 -4.185 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.513 -3.025 -5.102 1.00 0.00 H new ATOM 0 HE21 GLN A 88 11.434 -3.465 -6.712 1.00 0.00 H new ATOM 0 HE22 GLN A 88 11.198 -5.182 -7.056 1.00 0.00 H new ATOM 770 N ALA A 89 12.423 -2.580 -0.920 1.00 0.00 N ATOM 771 CA ALA A 89 11.364 -1.761 -0.342 1.00 0.00 C ATOM 772 C ALA A 89 11.921 -0.435 0.171 1.00 0.00 C ATOM 773 O ALA A 89 11.284 0.610 0.039 1.00 0.00 O ATOM 774 CB ALA A 89 10.691 -2.512 0.807 1.00 0.00 C ATOM 0 H ALA A 89 12.581 -3.469 -0.445 1.00 0.00 H new ATOM 0 HA ALA A 89 10.631 -1.553 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.901 -1.893 1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.262 -3.441 0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.430 -2.738 1.576 1.00 0.00 H new ATOM 780 N LYS A 90 13.103 -0.491 0.777 1.00 0.00 N ATOM 781 CA LYS A 90 13.729 0.702 1.334 1.00 0.00 C ATOM 782 C LYS A 90 13.992 1.745 0.252 1.00 0.00 C ATOM 783 O LYS A 90 13.872 2.943 0.504 1.00 0.00 O ATOM 784 CB LYS A 90 15.059 0.330 2.002 1.00 0.00 C ATOM 785 CG LYS A 90 14.831 -0.625 3.183 1.00 0.00 C ATOM 786 CD LYS A 90 14.144 0.094 4.350 1.00 0.00 C ATOM 787 CE LYS A 90 14.202 -0.797 5.589 1.00 0.00 C ATOM 788 NZ LYS A 90 15.617 -0.944 6.032 1.00 0.00 N ATOM 0 H LYS A 90 13.645 -1.347 0.894 1.00 0.00 H new ATOM 0 HA LYS A 90 13.045 1.125 2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.719 -0.139 1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 90 15.560 1.233 2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.219 -1.468 2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 90 15.786 -1.033 3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.637 1.046 4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.108 0.318 4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.603 -0.364 6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.776 -1.775 5.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.688 -0.725 7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.933 -1.921 5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.219 -0.289 5.493 1.00 0.00 H new ATOM 802 N ALA A 91 14.374 1.302 -0.942 1.00 0.00 N ATOM 803 CA ALA A 91 14.670 2.244 -2.016 1.00 0.00 C ATOM 804 C ALA A 91 13.458 3.124 -2.306 1.00 0.00 C ATOM 805 O ALA A 91 13.589 4.335 -2.462 1.00 0.00 O ATOM 806 CB ALA A 91 15.063 1.482 -3.284 1.00 0.00 C ATOM 0 H ALA A 91 14.484 0.318 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 91 15.499 2.878 -1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.283 2.192 -4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.946 0.875 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.240 0.836 -3.590 1.00 0.00 H new ATOM 812 N TYR A 92 12.277 2.521 -2.347 1.00 0.00 N ATOM 813 CA TYR A 92 11.059 3.286 -2.585 1.00 0.00 C ATOM 814 C TYR A 92 10.859 4.297 -1.460 1.00 0.00 C ATOM 815 O TYR A 92 10.567 5.469 -1.697 1.00 0.00 O ATOM 816 CB TYR A 92 9.856 2.344 -2.656 1.00 0.00 C ATOM 817 CG TYR A 92 8.597 3.144 -2.887 1.00 0.00 C ATOM 818 CD1 TYR A 92 8.299 3.621 -4.168 1.00 0.00 C ATOM 819 CD2 TYR A 92 7.727 3.406 -1.822 1.00 0.00 C ATOM 820 CE1 TYR A 92 7.130 4.360 -4.386 1.00 0.00 C ATOM 821 CE2 TYR A 92 6.558 4.146 -2.040 1.00 0.00 C ATOM 822 CZ TYR A 92 6.259 4.623 -3.322 1.00 0.00 C ATOM 823 OH TYR A 92 5.107 5.351 -3.536 1.00 0.00 O ATOM 0 H TYR A 92 12.136 1.519 -2.221 1.00 0.00 H new ATOM 0 HA TYR A 92 11.150 3.816 -3.533 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.993 1.623 -3.462 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.772 1.775 -1.730 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.971 3.419 -4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.957 3.038 -0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 92 6.900 4.727 -5.375 1.00 0.00 H new ATOM 0 HE2 TYR A 92 5.887 4.349 -1.219 1.00 0.00 H new ATOM 0 HH TYR A 92 4.616 5.441 -2.693 1.00 0.00 H new