USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 528 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 38 GLN : amide:sc= -0.22 X(o=-2.2,f=-2.6) USER MOD Set 1.2: A 77 MET CE :methyl 160:sc= -1.93 (180deg=-2.75!) USER MOD Single : A 17 THR OG1 : rot 36:sc= -0.367 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 0.0137! (180deg=-0.0115!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0597 USER MOD Single : A 44 ASN : amide:sc= -0.834 K(o=-0.83,f=-1.8) USER MOD Single : A 45 THR OG1 : rot -154:sc= 0.00533 USER MOD Single : A 46 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2.7!) USER MOD Single : A 47 MET CE :methyl 136:sc= -0.326 (180deg=-1.05) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -167:sc= 0 (180deg=-0.0149) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0172) USER MOD Single : A 90 ASN : amide:sc= -1.04 K(o=-1,f=-1.9) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 202 N THR A 17 3.515 4.253 1.316 1.00 0.00 N ATOM 203 CA THR A 17 4.058 2.991 1.802 1.00 0.00 C ATOM 204 C THR A 17 3.118 2.340 2.811 1.00 0.00 C ATOM 205 O THR A 17 2.258 3.004 3.390 1.00 0.00 O ATOM 206 CB THR A 17 5.439 3.187 2.456 1.00 0.00 C ATOM 207 OG1 THR A 17 6.319 3.861 1.549 1.00 0.00 O ATOM 208 CG2 THR A 17 6.043 1.850 2.857 1.00 0.00 C ATOM 0 HA THR A 17 4.165 2.339 0.935 1.00 0.00 H new ATOM 0 HB THR A 17 5.309 3.792 3.353 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.811 4.517 1.027 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.018 2.014 3.316 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.385 1.353 3.570 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.160 1.224 1.973 1.00 0.00 H new ATOM 216 N VAL A 18 3.288 1.038 3.017 1.00 0.00 N ATOM 217 CA VAL A 18 2.456 0.298 3.958 1.00 0.00 C ATOM 218 C VAL A 18 3.290 -0.265 5.103 1.00 0.00 C ATOM 219 O VAL A 18 4.478 -0.545 4.941 1.00 0.00 O ATOM 220 CB VAL A 18 1.714 -0.858 3.261 1.00 0.00 C ATOM 221 CG1 VAL A 18 1.185 -0.413 1.906 1.00 0.00 C ATOM 222 CG2 VAL A 18 2.626 -2.066 3.116 1.00 0.00 C ATOM 0 H VAL A 18 3.995 0.474 2.545 1.00 0.00 H new ATOM 0 HA VAL A 18 1.725 1.002 4.357 1.00 0.00 H new ATOM 0 HB VAL A 18 0.864 -1.146 3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.664 -1.243 1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.495 0.420 2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.017 -0.097 1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.085 -2.873 2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.497 -1.795 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.950 -2.398 4.102 1.00 0.00 H new ATOM 232 N TYR A 19 2.660 -0.430 6.261 1.00 0.00 N ATOM 233 CA TYR A 19 3.344 -0.958 7.435 1.00 0.00 C ATOM 234 C TYR A 19 3.044 -2.443 7.618 1.00 0.00 C ATOM 235 O TYR A 19 1.970 -2.818 8.090 1.00 0.00 O ATOM 236 CB TYR A 19 2.926 -0.184 8.686 1.00 0.00 C ATOM 237 CG TYR A 19 3.760 -0.507 9.905 1.00 0.00 C ATOM 238 CD1 TYR A 19 3.790 -1.794 10.429 1.00 0.00 C ATOM 239 CD2 TYR A 19 4.517 0.474 10.533 1.00 0.00 C ATOM 240 CE1 TYR A 19 4.550 -2.093 11.543 1.00 0.00 C ATOM 241 CE2 TYR A 19 5.281 0.183 11.646 1.00 0.00 C ATOM 242 CZ TYR A 19 5.294 -1.102 12.148 1.00 0.00 C ATOM 243 OH TYR A 19 6.053 -1.396 13.258 1.00 0.00 O ATOM 0 H TYR A 19 1.676 -0.206 6.411 1.00 0.00 H new ATOM 0 HA TYR A 19 4.417 -0.838 7.284 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.995 0.884 8.482 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.880 -0.400 8.904 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.210 -2.573 9.957 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.508 1.482 10.144 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.561 -3.098 11.938 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.865 0.957 12.121 1.00 0.00 H new ATOM 0 HH TYR A 19 6.517 -0.587 13.561 1.00 0.00 H new ATOM 253 N VAL A 20 4.001 -3.284 7.241 1.00 0.00 N ATOM 254 CA VAL A 20 3.842 -4.729 7.365 1.00 0.00 C ATOM 255 C VAL A 20 4.513 -5.249 8.631 1.00 0.00 C ATOM 256 O VAL A 20 5.712 -5.060 8.833 1.00 0.00 O ATOM 257 CB VAL A 20 4.429 -5.464 6.146 1.00 0.00 C ATOM 258 CG1 VAL A 20 4.155 -6.957 6.239 1.00 0.00 C ATOM 259 CG2 VAL A 20 3.865 -4.890 4.855 1.00 0.00 C ATOM 0 H VAL A 20 4.895 -2.990 6.847 1.00 0.00 H new ATOM 0 HA VAL A 20 2.771 -4.927 7.418 1.00 0.00 H new ATOM 0 HB VAL A 20 5.509 -5.317 6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.577 -7.459 5.369 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.612 -7.355 7.145 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.079 -7.128 6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.291 -5.421 4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.781 -5.005 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.118 -3.832 4.786 1.00 0.00 H new ATOM 269 N GLY A 21 3.731 -5.907 9.481 1.00 0.00 N ATOM 270 CA GLY A 21 4.267 -6.446 10.717 1.00 0.00 C ATOM 271 C GLY A 21 3.689 -7.805 11.056 1.00 0.00 C ATOM 272 O GLY A 21 2.482 -7.944 11.248 1.00 0.00 O ATOM 0 H GLY A 21 2.736 -6.076 9.336 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.351 -6.526 10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.059 -5.753 11.532 1.00 0.00 H new ATOM 276 N GLY A 22 4.553 -8.813 11.129 1.00 0.00 N ATOM 277 CA GLY A 22 4.103 -10.156 11.445 1.00 0.00 C ATOM 278 C GLY A 22 4.332 -11.128 10.305 1.00 0.00 C ATOM 279 O GLY A 22 3.470 -11.953 10.000 1.00 0.00 O ATOM 0 H GLY A 22 5.557 -8.723 10.975 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.627 -10.512 12.332 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.041 -10.132 11.690 1.00 0.00 H new ATOM 283 N LEU A 23 5.496 -11.031 9.672 1.00 0.00 N ATOM 284 CA LEU A 23 5.836 -11.908 8.557 1.00 0.00 C ATOM 285 C LEU A 23 6.683 -13.086 9.029 1.00 0.00 C ATOM 286 O LEU A 23 7.379 -12.996 10.041 1.00 0.00 O ATOM 287 CB LEU A 23 6.586 -11.126 7.478 1.00 0.00 C ATOM 288 CG LEU A 23 5.924 -9.832 7.004 1.00 0.00 C ATOM 289 CD1 LEU A 23 6.939 -8.934 6.315 1.00 0.00 C ATOM 290 CD2 LEU A 23 4.760 -10.138 6.073 1.00 0.00 C ATOM 0 H LEU A 23 6.220 -10.354 9.912 1.00 0.00 H new ATOM 0 HA LEU A 23 4.908 -12.297 8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.579 -10.885 7.857 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.724 -11.777 6.615 1.00 0.00 H new ATOM 0 HG LEU A 23 5.536 -9.305 7.876 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.449 -8.018 5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.739 -8.686 7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.358 -9.453 5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.301 -9.205 5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.123 -10.688 5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.021 -10.741 6.601 1.00 0.00 H new ATOM 302 N ASP A 24 6.620 -14.187 8.290 1.00 0.00 N ATOM 303 CA ASP A 24 7.383 -15.382 8.631 1.00 0.00 C ATOM 304 C ASP A 24 8.800 -15.299 8.072 1.00 0.00 C ATOM 305 O ASP A 24 9.126 -14.385 7.314 1.00 0.00 O ATOM 306 CB ASP A 24 6.683 -16.631 8.094 1.00 0.00 C ATOM 307 CG ASP A 24 7.343 -17.912 8.565 1.00 0.00 C ATOM 308 OD1 ASP A 24 7.077 -18.331 9.711 1.00 0.00 O ATOM 309 OD2 ASP A 24 8.126 -18.496 7.786 1.00 0.00 O ATOM 0 H ASP A 24 6.048 -14.277 7.450 1.00 0.00 H new ATOM 0 HA ASP A 24 7.443 -15.447 9.717 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.640 -16.625 8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.684 -16.604 7.004 1.00 0.00 H new ATOM 314 N GLU A 25 9.638 -16.259 8.451 1.00 0.00 N ATOM 315 CA GLU A 25 11.021 -16.292 7.989 1.00 0.00 C ATOM 316 C GLU A 25 11.083 -16.405 6.468 1.00 0.00 C ATOM 317 O GLU A 25 11.919 -15.774 5.821 1.00 0.00 O ATOM 318 CB GLU A 25 11.768 -17.464 8.629 1.00 0.00 C ATOM 319 CG GLU A 25 11.173 -18.821 8.295 1.00 0.00 C ATOM 320 CD GLU A 25 12.083 -19.969 8.684 1.00 0.00 C ATOM 321 OE1 GLU A 25 12.566 -19.981 9.835 1.00 0.00 O ATOM 322 OE2 GLU A 25 12.313 -20.857 7.835 1.00 0.00 O ATOM 0 H GLU A 25 9.384 -17.024 9.076 1.00 0.00 H new ATOM 0 HA GLU A 25 11.500 -15.359 8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.808 -17.443 8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.771 -17.334 9.711 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.217 -18.930 8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.969 -18.871 7.225 1.00 0.00 H new ATOM 329 N LYS A 26 10.193 -17.213 5.904 1.00 0.00 N ATOM 330 CA LYS A 26 10.144 -17.410 4.460 1.00 0.00 C ATOM 331 C LYS A 26 10.060 -16.072 3.731 1.00 0.00 C ATOM 332 O LYS A 26 10.826 -15.810 2.804 1.00 0.00 O ATOM 333 CB LYS A 26 8.946 -18.284 4.083 1.00 0.00 C ATOM 334 CG LYS A 26 9.255 -19.771 4.080 1.00 0.00 C ATOM 335 CD LYS A 26 8.014 -20.598 3.788 1.00 0.00 C ATOM 336 CE LYS A 26 7.113 -20.701 5.009 1.00 0.00 C ATOM 337 NZ LYS A 26 5.942 -21.587 4.761 1.00 0.00 N ATOM 0 H LYS A 26 9.495 -17.743 6.425 1.00 0.00 H new ATOM 0 HA LYS A 26 11.062 -17.913 4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.132 -18.092 4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.592 -17.993 3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.019 -19.983 3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.667 -20.060 5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.461 -20.148 2.963 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.309 -21.597 3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.687 -21.085 5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.764 -19.707 5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.335 -21.604 5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.399 -21.226 3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.274 -22.551 4.553 1.00 0.00 H new ATOM 351 N VAL A 27 9.126 -15.229 4.158 1.00 0.00 N ATOM 352 CA VAL A 27 8.943 -13.917 3.548 1.00 0.00 C ATOM 353 C VAL A 27 10.279 -13.323 3.113 1.00 0.00 C ATOM 354 O VAL A 27 11.321 -13.622 3.695 1.00 0.00 O ATOM 355 CB VAL A 27 8.249 -12.940 4.515 1.00 0.00 C ATOM 356 CG1 VAL A 27 8.302 -11.521 3.969 1.00 0.00 C ATOM 357 CG2 VAL A 27 6.812 -13.370 4.765 1.00 0.00 C ATOM 0 H VAL A 27 8.484 -15.431 4.924 1.00 0.00 H new ATOM 0 HA VAL A 27 8.310 -14.060 2.673 1.00 0.00 H new ATOM 0 HB VAL A 27 8.781 -12.958 5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.807 -10.844 4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.342 -11.217 3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.796 -11.483 3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.336 -12.669 5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.266 -13.382 3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.802 -14.368 5.203 1.00 0.00 H new ATOM 367 N SER A 28 10.239 -12.478 2.088 1.00 0.00 N ATOM 368 CA SER A 28 11.446 -11.844 1.573 1.00 0.00 C ATOM 369 C SER A 28 11.123 -10.492 0.942 1.00 0.00 C ATOM 370 O SER A 28 9.957 -10.148 0.751 1.00 0.00 O ATOM 371 CB SER A 28 12.125 -12.750 0.544 1.00 0.00 C ATOM 372 OG SER A 28 12.422 -14.019 1.100 1.00 0.00 O ATOM 0 H SER A 28 9.383 -12.217 1.598 1.00 0.00 H new ATOM 0 HA SER A 28 12.126 -11.682 2.409 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.475 -12.872 -0.323 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.043 -12.280 0.191 1.00 0.00 H new ATOM 0 HG SER A 28 12.854 -14.580 0.422 1.00 0.00 H new ATOM 378 N GLU A 29 12.165 -9.731 0.622 1.00 0.00 N ATOM 379 CA GLU A 29 11.992 -8.417 0.014 1.00 0.00 C ATOM 380 C GLU A 29 11.338 -8.535 -1.359 1.00 0.00 C ATOM 381 O GLU A 29 10.326 -7.896 -1.650 1.00 0.00 O ATOM 382 CB GLU A 29 13.342 -7.707 -0.111 1.00 0.00 C ATOM 383 CG GLU A 29 13.656 -6.787 1.057 1.00 0.00 C ATOM 384 CD GLU A 29 14.466 -7.474 2.139 1.00 0.00 C ATOM 385 OE1 GLU A 29 13.952 -8.435 2.747 1.00 0.00 O ATOM 386 OE2 GLU A 29 15.617 -7.049 2.377 1.00 0.00 O ATOM 0 H GLU A 29 13.137 -10.002 0.774 1.00 0.00 H new ATOM 0 HA GLU A 29 11.339 -7.829 0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.130 -8.455 -0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.354 -7.126 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.205 -5.919 0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.724 -6.418 1.485 1.00 0.00 H new ATOM 393 N PRO A 30 11.928 -9.372 -2.226 1.00 0.00 N ATOM 394 CA PRO A 30 11.421 -9.594 -3.583 1.00 0.00 C ATOM 395 C PRO A 30 10.102 -10.360 -3.591 1.00 0.00 C ATOM 396 O PRO A 30 9.562 -10.675 -4.652 1.00 0.00 O ATOM 397 CB PRO A 30 12.525 -10.423 -4.243 1.00 0.00 C ATOM 398 CG PRO A 30 13.208 -11.112 -3.113 1.00 0.00 C ATOM 399 CD PRO A 30 13.136 -10.166 -1.947 1.00 0.00 C ATOM 0 HA PRO A 30 11.208 -8.657 -4.097 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.111 -11.140 -4.952 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.218 -9.790 -4.797 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.718 -12.057 -2.879 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.243 -11.343 -3.365 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.056 -10.700 -1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.024 -9.537 -1.884 1.00 0.00 H new ATOM 407 N LEU A 31 9.588 -10.655 -2.402 1.00 0.00 N ATOM 408 CA LEU A 31 8.331 -11.384 -2.272 1.00 0.00 C ATOM 409 C LEU A 31 7.154 -10.422 -2.145 1.00 0.00 C ATOM 410 O LEU A 31 6.162 -10.540 -2.865 1.00 0.00 O ATOM 411 CB LEU A 31 8.380 -12.311 -1.056 1.00 0.00 C ATOM 412 CG LEU A 31 7.107 -13.108 -0.767 1.00 0.00 C ATOM 413 CD1 LEU A 31 6.848 -14.119 -1.873 1.00 0.00 C ATOM 414 CD2 LEU A 31 7.208 -13.805 0.582 1.00 0.00 C ATOM 0 H LEU A 31 10.022 -10.401 -1.515 1.00 0.00 H new ATOM 0 HA LEU A 31 8.192 -11.982 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.201 -13.014 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.617 -11.712 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 31 6.267 -12.414 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.938 -14.677 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.730 -13.597 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.689 -14.809 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.293 -14.367 0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.058 -14.487 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.345 -13.061 1.367 1.00 0.00 H new ATOM 426 N LEU A 32 7.272 -9.470 -1.227 1.00 0.00 N ATOM 427 CA LEU A 32 6.219 -8.485 -1.007 1.00 0.00 C ATOM 428 C LEU A 32 5.966 -7.666 -2.269 1.00 0.00 C ATOM 429 O LEU A 32 4.820 -7.395 -2.625 1.00 0.00 O ATOM 430 CB LEU A 32 6.595 -7.556 0.150 1.00 0.00 C ATOM 431 CG LEU A 32 7.212 -8.229 1.377 1.00 0.00 C ATOM 432 CD1 LEU A 32 7.579 -7.191 2.426 1.00 0.00 C ATOM 433 CD2 LEU A 32 6.256 -9.261 1.956 1.00 0.00 C ATOM 0 H LEU A 32 8.086 -9.359 -0.623 1.00 0.00 H new ATOM 0 HA LEU A 32 5.304 -9.020 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.297 -6.810 -0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.700 -7.021 0.466 1.00 0.00 H new ATOM 0 HG LEU A 32 8.123 -8.741 1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.017 -7.688 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.301 -6.490 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.683 -6.651 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.711 -9.730 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.327 -8.772 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.043 -10.022 1.205 1.00 0.00 H new ATOM 445 N TRP A 33 7.044 -7.278 -2.941 1.00 0.00 N ATOM 446 CA TRP A 33 6.939 -6.492 -4.165 1.00 0.00 C ATOM 447 C TRP A 33 5.868 -7.064 -5.089 1.00 0.00 C ATOM 448 O TRP A 33 4.809 -6.464 -5.271 1.00 0.00 O ATOM 449 CB TRP A 33 8.286 -6.454 -4.888 1.00 0.00 C ATOM 450 CG TRP A 33 8.427 -5.288 -5.820 1.00 0.00 C ATOM 451 CD1 TRP A 33 7.498 -4.834 -6.712 1.00 0.00 C ATOM 452 CD2 TRP A 33 9.565 -4.430 -5.952 1.00 0.00 C ATOM 453 NE1 TRP A 33 7.990 -3.746 -7.390 1.00 0.00 N ATOM 454 CE2 TRP A 33 9.256 -3.477 -6.942 1.00 0.00 C ATOM 455 CE3 TRP A 33 10.815 -4.372 -5.329 1.00 0.00 C ATOM 456 CZ2 TRP A 33 10.152 -2.481 -7.322 1.00 0.00 C ATOM 457 CZ3 TRP A 33 11.703 -3.383 -5.707 1.00 0.00 C ATOM 458 CH2 TRP A 33 11.368 -2.448 -6.695 1.00 0.00 C ATOM 0 H TRP A 33 8.000 -7.495 -2.659 1.00 0.00 H new ATOM 0 HA TRP A 33 6.652 -5.476 -3.892 1.00 0.00 H new ATOM 0 HB2 TRP A 33 9.086 -6.418 -4.149 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.414 -7.378 -5.452 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.520 -5.267 -6.862 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.493 -3.223 -8.111 1.00 0.00 H new ATOM 0 HE3 TRP A 33 11.082 -5.088 -4.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.896 -1.760 -8.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.672 -3.330 -5.233 1.00 0.00 H new ATOM 0 HH2 TRP A 33 12.083 -1.686 -6.967 1.00 0.00 H new ATOM 469 N GLU A 34 6.152 -8.226 -5.668 1.00 0.00 N ATOM 470 CA GLU A 34 5.212 -8.877 -6.573 1.00 0.00 C ATOM 471 C GLU A 34 3.896 -9.182 -5.864 1.00 0.00 C ATOM 472 O GLU A 34 2.816 -8.958 -6.411 1.00 0.00 O ATOM 473 CB GLU A 34 5.816 -10.169 -7.129 1.00 0.00 C ATOM 474 CG GLU A 34 6.913 -9.936 -8.154 1.00 0.00 C ATOM 475 CD GLU A 34 7.754 -11.173 -8.399 1.00 0.00 C ATOM 476 OE1 GLU A 34 8.258 -11.754 -7.416 1.00 0.00 O ATOM 477 OE2 GLU A 34 7.908 -11.561 -9.577 1.00 0.00 O ATOM 0 H GLU A 34 7.024 -8.736 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 34 5.010 -8.194 -7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.220 -10.756 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.024 -10.763 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.465 -9.614 -9.094 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.557 -9.125 -7.814 1.00 0.00 H new ATOM 484 N LEU A 35 3.995 -9.696 -4.643 1.00 0.00 N ATOM 485 CA LEU A 35 2.813 -10.033 -3.857 1.00 0.00 C ATOM 486 C LEU A 35 1.923 -8.810 -3.659 1.00 0.00 C ATOM 487 O LEU A 35 0.709 -8.933 -3.494 1.00 0.00 O ATOM 488 CB LEU A 35 3.225 -10.603 -2.498 1.00 0.00 C ATOM 489 CG LEU A 35 2.130 -10.655 -1.432 1.00 0.00 C ATOM 490 CD1 LEU A 35 1.041 -11.638 -1.833 1.00 0.00 C ATOM 491 CD2 LEU A 35 2.720 -11.031 -0.080 1.00 0.00 C ATOM 0 H LEU A 35 4.881 -9.888 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 35 2.247 -10.787 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.604 -11.613 -2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.052 -10.007 -2.112 1.00 0.00 H new ATOM 0 HG LEU A 35 1.683 -9.664 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.270 -11.662 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.599 -11.325 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.472 -12.633 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.927 -11.063 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.193 -12.010 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.463 -10.289 0.212 1.00 0.00 H new ATOM 503 N PHE A 36 2.535 -7.631 -3.679 1.00 0.00 N ATOM 504 CA PHE A 36 1.798 -6.385 -3.503 1.00 0.00 C ATOM 505 C PHE A 36 1.431 -5.775 -4.852 1.00 0.00 C ATOM 506 O PHE A 36 0.422 -5.080 -4.979 1.00 0.00 O ATOM 507 CB PHE A 36 2.627 -5.388 -2.689 1.00 0.00 C ATOM 508 CG PHE A 36 2.422 -5.509 -1.206 1.00 0.00 C ATOM 509 CD1 PHE A 36 2.811 -6.655 -0.531 1.00 0.00 C ATOM 510 CD2 PHE A 36 1.842 -4.476 -0.487 1.00 0.00 C ATOM 511 CE1 PHE A 36 2.623 -6.768 0.834 1.00 0.00 C ATOM 512 CE2 PHE A 36 1.652 -4.584 0.878 1.00 0.00 C ATOM 513 CZ PHE A 36 2.044 -5.732 1.539 1.00 0.00 C ATOM 0 H PHE A 36 3.539 -7.512 -3.815 1.00 0.00 H new ATOM 0 HA PHE A 36 0.878 -6.609 -2.963 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.683 -5.536 -2.915 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.373 -4.375 -3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.266 -7.468 -1.077 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.535 -3.576 -0.999 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.929 -7.667 1.349 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.198 -3.772 1.427 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.898 -5.819 2.606 1.00 0.00 H new ATOM 523 N LEU A 37 2.256 -6.040 -5.859 1.00 0.00 N ATOM 524 CA LEU A 37 2.020 -5.518 -7.200 1.00 0.00 C ATOM 525 C LEU A 37 0.534 -5.552 -7.544 1.00 0.00 C ATOM 526 O LEU A 37 0.041 -4.706 -8.290 1.00 0.00 O ATOM 527 CB LEU A 37 2.812 -6.325 -8.230 1.00 0.00 C ATOM 528 CG LEU A 37 4.287 -5.955 -8.382 1.00 0.00 C ATOM 529 CD1 LEU A 37 4.974 -6.891 -9.365 1.00 0.00 C ATOM 530 CD2 LEU A 37 4.431 -4.509 -8.832 1.00 0.00 C ATOM 0 H LEU A 37 3.095 -6.614 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 37 2.356 -4.481 -7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.748 -7.380 -7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.328 -6.213 -9.200 1.00 0.00 H new ATOM 0 HG LEU A 37 4.770 -6.062 -7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.023 -6.612 -9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.903 -7.916 -9.002 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.489 -6.816 -10.338 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.488 -4.263 -8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.932 -4.375 -9.792 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.976 -3.851 -8.092 1.00 0.00 H new ATOM 542 N GLN A 38 -0.173 -6.533 -6.993 1.00 0.00 N ATOM 543 CA GLN A 38 -1.603 -6.675 -7.240 1.00 0.00 C ATOM 544 C GLN A 38 -2.356 -5.416 -6.823 1.00 0.00 C ATOM 545 O GLN A 38 -3.210 -4.920 -7.558 1.00 0.00 O ATOM 546 CB GLN A 38 -2.154 -7.887 -6.486 1.00 0.00 C ATOM 547 CG GLN A 38 -1.657 -7.989 -5.053 1.00 0.00 C ATOM 548 CD GLN A 38 -2.306 -9.127 -4.290 1.00 0.00 C ATOM 549 OE1 GLN A 38 -3.395 -8.978 -3.735 1.00 0.00 O ATOM 550 NE2 GLN A 38 -1.638 -10.275 -4.259 1.00 0.00 N ATOM 0 H GLN A 38 0.221 -7.241 -6.373 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.748 -6.825 -8.310 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.243 -7.837 -6.482 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.878 -8.795 -7.023 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.576 -8.129 -5.056 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.855 -7.050 -4.536 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.738 -10.354 -4.733 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.025 -11.077 -3.761 1.00 0.00 H new ATOM 559 N ALA A 39 -2.034 -4.905 -5.640 1.00 0.00 N ATOM 560 CA ALA A 39 -2.678 -3.703 -5.126 1.00 0.00 C ATOM 561 C ALA A 39 -2.291 -2.478 -5.948 1.00 0.00 C ATOM 562 O ALA A 39 -3.129 -1.630 -6.250 1.00 0.00 O ATOM 563 CB ALA A 39 -2.317 -3.494 -3.662 1.00 0.00 C ATOM 0 H ALA A 39 -1.331 -5.305 -5.019 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.757 -3.837 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.805 -2.592 -3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.650 -4.353 -3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.237 -3.387 -3.565 1.00 0.00 H new ATOM 569 N GLY A 40 -1.013 -2.391 -6.306 1.00 0.00 N ATOM 570 CA GLY A 40 -0.537 -1.266 -7.089 1.00 0.00 C ATOM 571 C GLY A 40 0.892 -1.450 -7.559 1.00 0.00 C ATOM 572 O GLY A 40 1.555 -2.433 -7.229 1.00 0.00 O ATOM 0 H GLY A 40 -0.299 -3.080 -6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.186 -1.129 -7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.606 -0.357 -6.492 1.00 0.00 H new ATOM 576 N PRO A 41 1.388 -0.486 -8.349 1.00 0.00 N ATOM 577 CA PRO A 41 2.753 -0.524 -8.883 1.00 0.00 C ATOM 578 C PRO A 41 3.805 -0.313 -7.800 1.00 0.00 C ATOM 579 O PRO A 41 4.336 0.787 -7.642 1.00 0.00 O ATOM 580 CB PRO A 41 2.775 0.634 -9.884 1.00 0.00 C ATOM 581 CG PRO A 41 1.725 1.573 -9.400 1.00 0.00 C ATOM 582 CD PRO A 41 0.655 0.715 -8.783 1.00 0.00 C ATOM 0 HA PRO A 41 2.991 -1.491 -9.325 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.753 1.114 -9.912 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.561 0.288 -10.895 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.133 2.273 -8.671 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.324 2.167 -10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.172 1.216 -7.944 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.128 0.470 -9.501 1.00 0.00 H new ATOM 590 N VAL A 42 4.103 -1.373 -7.055 1.00 0.00 N ATOM 591 CA VAL A 42 5.093 -1.303 -5.987 1.00 0.00 C ATOM 592 C VAL A 42 6.401 -0.700 -6.489 1.00 0.00 C ATOM 593 O VAL A 42 6.950 -1.136 -7.501 1.00 0.00 O ATOM 594 CB VAL A 42 5.377 -2.695 -5.393 1.00 0.00 C ATOM 595 CG1 VAL A 42 6.439 -2.607 -4.308 1.00 0.00 C ATOM 596 CG2 VAL A 42 4.098 -3.313 -4.849 1.00 0.00 C ATOM 0 H VAL A 42 3.673 -2.290 -7.172 1.00 0.00 H new ATOM 0 HA VAL A 42 4.676 -0.663 -5.210 1.00 0.00 H new ATOM 0 HB VAL A 42 5.756 -3.339 -6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.626 -3.600 -3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.361 -2.210 -4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.092 -1.948 -3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.317 -4.296 -4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.688 -2.672 -4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.371 -3.414 -5.655 1.00 0.00 H new ATOM 606 N VAL A 43 6.895 0.305 -5.774 1.00 0.00 N ATOM 607 CA VAL A 43 8.140 0.968 -6.145 1.00 0.00 C ATOM 608 C VAL A 43 9.348 0.208 -5.609 1.00 0.00 C ATOM 609 O VAL A 43 10.262 -0.134 -6.358 1.00 0.00 O ATOM 610 CB VAL A 43 8.184 2.415 -5.621 1.00 0.00 C ATOM 611 CG1 VAL A 43 9.203 3.234 -6.398 1.00 0.00 C ATOM 612 CG2 VAL A 43 6.804 3.052 -5.699 1.00 0.00 C ATOM 0 H VAL A 43 6.452 0.678 -4.934 1.00 0.00 H new ATOM 0 HA VAL A 43 8.178 0.983 -7.234 1.00 0.00 H new ATOM 0 HB VAL A 43 8.491 2.395 -4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.220 4.254 -6.013 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.191 2.787 -6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.930 3.249 -7.453 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.854 4.074 -5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.465 3.061 -6.735 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.103 2.477 -5.093 1.00 0.00 H new ATOM 622 N ASN A 44 9.345 -0.054 -4.306 1.00 0.00 N ATOM 623 CA ASN A 44 10.441 -0.774 -3.668 1.00 0.00 C ATOM 624 C ASN A 44 10.001 -1.361 -2.330 1.00 0.00 C ATOM 625 O ASN A 44 8.997 -0.940 -1.755 1.00 0.00 O ATOM 626 CB ASN A 44 11.638 0.157 -3.461 1.00 0.00 C ATOM 627 CG ASN A 44 12.593 -0.357 -2.401 1.00 0.00 C ATOM 628 OD1 ASN A 44 13.293 -1.348 -2.608 1.00 0.00 O ATOM 629 ND2 ASN A 44 12.625 0.317 -1.257 1.00 0.00 N ATOM 0 H ASN A 44 8.596 0.222 -3.671 1.00 0.00 H new ATOM 0 HA ASN A 44 10.735 -1.593 -4.324 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.173 0.272 -4.404 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.280 1.146 -3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.248 0.018 -0.506 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.027 1.133 -1.129 1.00 0.00 H new ATOM 636 N THR A 45 10.761 -2.336 -1.840 1.00 0.00 N ATOM 637 CA THR A 45 10.450 -2.982 -0.571 1.00 0.00 C ATOM 638 C THR A 45 11.486 -2.633 0.492 1.00 0.00 C ATOM 639 O THR A 45 12.677 -2.525 0.200 1.00 0.00 O ATOM 640 CB THR A 45 10.381 -4.513 -0.722 1.00 0.00 C ATOM 641 OG1 THR A 45 11.662 -5.026 -1.102 1.00 0.00 O ATOM 642 CG2 THR A 45 9.342 -4.908 -1.760 1.00 0.00 C ATOM 0 H THR A 45 11.596 -2.695 -2.303 1.00 0.00 H new ATOM 0 HA THR A 45 9.474 -2.611 -0.258 1.00 0.00 H new ATOM 0 HB THR A 45 10.091 -4.938 0.239 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.546 -5.871 -1.584 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.311 -5.994 -1.849 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.363 -4.541 -1.452 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.606 -4.472 -2.723 1.00 0.00 H new ATOM 650 N HIS A 46 11.025 -2.459 1.726 1.00 0.00 N ATOM 651 CA HIS A 46 11.913 -2.124 2.834 1.00 0.00 C ATOM 652 C HIS A 46 11.699 -3.073 4.009 1.00 0.00 C ATOM 653 O HIS A 46 10.633 -3.084 4.623 1.00 0.00 O ATOM 654 CB HIS A 46 11.683 -0.680 3.281 1.00 0.00 C ATOM 655 CG HIS A 46 12.685 -0.196 4.284 1.00 0.00 C ATOM 656 ND1 HIS A 46 13.081 -0.944 5.372 1.00 0.00 N ATOM 657 CD2 HIS A 46 13.373 0.967 4.358 1.00 0.00 C ATOM 658 CE1 HIS A 46 13.969 -0.261 6.073 1.00 0.00 C ATOM 659 NE2 HIS A 46 14.163 0.902 5.479 1.00 0.00 N ATOM 0 H HIS A 46 10.042 -2.544 1.984 1.00 0.00 H new ATOM 0 HA HIS A 46 12.941 -2.230 2.488 1.00 0.00 H new ATOM 0 HB2 HIS A 46 11.712 -0.029 2.407 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.684 -0.595 3.708 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.312 1.793 3.664 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.454 -0.597 6.978 1.00 0.00 H new ATOM 0 HE2 HIS A 46 14.797 1.633 5.801 1.00 0.00 H new ATOM 667 N MET A 47 12.719 -3.868 4.315 1.00 0.00 N ATOM 668 CA MET A 47 12.641 -4.820 5.416 1.00 0.00 C ATOM 669 C MET A 47 13.910 -4.778 6.262 1.00 0.00 C ATOM 670 O MET A 47 15.002 -5.114 5.803 1.00 0.00 O ATOM 671 CB MET A 47 12.419 -6.236 4.880 1.00 0.00 C ATOM 672 CG MET A 47 11.065 -6.429 4.217 1.00 0.00 C ATOM 673 SD MET A 47 10.766 -8.139 3.732 1.00 0.00 S ATOM 674 CE MET A 47 10.843 -8.961 5.321 1.00 0.00 C ATOM 0 H MET A 47 13.609 -3.872 3.816 1.00 0.00 H new ATOM 0 HA MET A 47 11.796 -4.541 6.045 1.00 0.00 H new ATOM 0 HB2 MET A 47 13.203 -6.471 4.161 1.00 0.00 H new ATOM 0 HB3 MET A 47 12.517 -6.946 5.701 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.280 -6.107 4.902 1.00 0.00 H new ATOM 0 HG3 MET A 47 11.002 -5.789 3.337 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.026 -9.678 5.400 1.00 0.00 H new ATOM 0 HE2 MET A 47 11.795 -9.484 5.414 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.755 -8.222 6.118 1.00 0.00 H new ATOM 684 N PRO A 48 13.766 -4.355 7.527 1.00 0.00 N ATOM 685 CA PRO A 48 14.890 -4.259 8.462 1.00 0.00 C ATOM 686 C PRO A 48 15.417 -5.628 8.877 1.00 0.00 C ATOM 687 O PRO A 48 14.658 -6.489 9.322 1.00 0.00 O ATOM 688 CB PRO A 48 14.288 -3.530 9.667 1.00 0.00 C ATOM 689 CG PRO A 48 12.830 -3.832 9.602 1.00 0.00 C ATOM 690 CD PRO A 48 12.494 -3.938 8.140 1.00 0.00 C ATOM 0 HA PRO A 48 15.745 -3.747 8.020 1.00 0.00 H new ATOM 0 HB2 PRO A 48 14.724 -3.883 10.602 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.473 -2.457 9.614 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.600 -4.761 10.124 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.247 -3.045 10.080 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.704 -4.667 7.961 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.147 -2.986 7.737 1.00 0.00 H new ATOM 851 N TYR A 59 8.773 -7.668 10.447 1.00 0.00 N ATOM 852 CA TYR A 59 7.969 -6.576 9.911 1.00 0.00 C ATOM 853 C TYR A 59 8.682 -5.896 8.746 1.00 0.00 C ATOM 854 O TYR A 59 9.893 -5.686 8.782 1.00 0.00 O ATOM 855 CB TYR A 59 7.667 -5.552 11.006 1.00 0.00 C ATOM 856 CG TYR A 59 8.875 -4.751 11.436 1.00 0.00 C ATOM 857 CD1 TYR A 59 9.737 -5.228 12.415 1.00 0.00 C ATOM 858 CD2 TYR A 59 9.155 -3.517 10.862 1.00 0.00 C ATOM 859 CE1 TYR A 59 10.842 -4.499 12.812 1.00 0.00 C ATOM 860 CE2 TYR A 59 10.257 -2.781 11.251 1.00 0.00 C ATOM 861 CZ TYR A 59 11.098 -3.277 12.227 1.00 0.00 C ATOM 862 OH TYR A 59 12.198 -2.548 12.618 1.00 0.00 O ATOM 0 HA TYR A 59 7.031 -6.994 9.546 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.896 -4.868 10.650 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.258 -6.070 11.873 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.540 -6.186 12.874 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.499 -3.126 10.098 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.501 -4.884 13.576 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.460 -1.823 10.795 1.00 0.00 H new ATOM 0 HH TYR A 59 12.235 -1.712 12.108 1.00 0.00 H new ATOM 872 N GLY A 60 7.918 -5.554 7.713 1.00 0.00 N ATOM 873 CA GLY A 60 8.492 -4.900 6.551 1.00 0.00 C ATOM 874 C GLY A 60 7.675 -3.709 6.093 1.00 0.00 C ATOM 875 O GLY A 60 6.851 -3.186 6.844 1.00 0.00 O ATOM 0 H GLY A 60 6.913 -5.718 7.660 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.505 -4.573 6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.570 -5.619 5.735 1.00 0.00 H new ATOM 879 N PHE A 61 7.903 -3.276 4.857 1.00 0.00 N ATOM 880 CA PHE A 61 7.183 -2.136 4.301 1.00 0.00 C ATOM 881 C PHE A 61 7.192 -2.179 2.776 1.00 0.00 C ATOM 882 O PHE A 61 8.158 -2.632 2.162 1.00 0.00 O ATOM 883 CB PHE A 61 7.804 -0.826 4.790 1.00 0.00 C ATOM 884 CG PHE A 61 7.885 -0.723 6.286 1.00 0.00 C ATOM 885 CD1 PHE A 61 8.932 -1.311 6.978 1.00 0.00 C ATOM 886 CD2 PHE A 61 6.915 -0.039 7.001 1.00 0.00 C ATOM 887 CE1 PHE A 61 9.011 -1.218 8.355 1.00 0.00 C ATOM 888 CE2 PHE A 61 6.989 0.058 8.378 1.00 0.00 C ATOM 889 CZ PHE A 61 8.037 -0.534 9.056 1.00 0.00 C ATOM 0 H PHE A 61 8.581 -3.697 4.222 1.00 0.00 H new ATOM 0 HA PHE A 61 6.149 -2.189 4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.806 -0.730 4.372 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.218 0.010 4.407 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.695 -1.848 6.435 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.092 0.424 6.477 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.833 -1.679 8.882 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.228 0.596 8.923 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.095 -0.462 10.132 1.00 0.00 H new ATOM 899 N VAL A 62 6.109 -1.703 2.170 1.00 0.00 N ATOM 900 CA VAL A 62 5.992 -1.686 0.717 1.00 0.00 C ATOM 901 C VAL A 62 5.662 -0.287 0.209 1.00 0.00 C ATOM 902 O VAL A 62 4.540 0.193 0.365 1.00 0.00 O ATOM 903 CB VAL A 62 4.907 -2.665 0.229 1.00 0.00 C ATOM 904 CG1 VAL A 62 4.772 -2.602 -1.284 1.00 0.00 C ATOM 905 CG2 VAL A 62 5.225 -4.081 0.686 1.00 0.00 C ATOM 0 H VAL A 62 5.300 -1.324 2.663 1.00 0.00 H new ATOM 0 HA VAL A 62 6.958 -1.997 0.319 1.00 0.00 H new ATOM 0 HB VAL A 62 3.953 -2.371 0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.001 -3.300 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.496 -1.591 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.722 -2.870 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.449 -4.760 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.188 -4.387 0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.266 -4.111 1.775 1.00 0.00 H new ATOM 915 N GLU A 63 6.649 0.363 -0.401 1.00 0.00 N ATOM 916 CA GLU A 63 6.464 1.709 -0.932 1.00 0.00 C ATOM 917 C GLU A 63 5.787 1.665 -2.299 1.00 0.00 C ATOM 918 O GLU A 63 6.329 1.111 -3.255 1.00 0.00 O ATOM 919 CB GLU A 63 7.809 2.428 -1.039 1.00 0.00 C ATOM 920 CG GLU A 63 7.730 3.762 -1.764 1.00 0.00 C ATOM 921 CD GLU A 63 6.836 4.759 -1.054 1.00 0.00 C ATOM 922 OE1 GLU A 63 5.674 4.407 -0.757 1.00 0.00 O ATOM 923 OE2 GLU A 63 7.296 5.891 -0.795 1.00 0.00 O ATOM 0 H GLU A 63 7.584 -0.020 -0.540 1.00 0.00 H new ATOM 0 HA GLU A 63 5.821 2.259 -0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.205 2.592 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.516 1.782 -1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.732 4.180 -1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.356 3.600 -2.775 1.00 0.00 H new ATOM 930 N PHE A 64 4.598 2.254 -2.382 1.00 0.00 N ATOM 931 CA PHE A 64 3.845 2.282 -3.631 1.00 0.00 C ATOM 932 C PHE A 64 4.114 3.573 -4.399 1.00 0.00 C ATOM 933 O PHE A 64 4.517 4.582 -3.819 1.00 0.00 O ATOM 934 CB PHE A 64 2.347 2.144 -3.351 1.00 0.00 C ATOM 935 CG PHE A 64 1.896 0.720 -3.193 1.00 0.00 C ATOM 936 CD1 PHE A 64 1.563 -0.042 -4.302 1.00 0.00 C ATOM 937 CD2 PHE A 64 1.803 0.144 -1.937 1.00 0.00 C ATOM 938 CE1 PHE A 64 1.147 -1.353 -4.160 1.00 0.00 C ATOM 939 CE2 PHE A 64 1.389 -1.166 -1.789 1.00 0.00 C ATOM 940 CZ PHE A 64 1.059 -1.915 -2.901 1.00 0.00 C ATOM 0 H PHE A 64 4.136 2.718 -1.600 1.00 0.00 H new ATOM 0 HA PHE A 64 4.172 1.441 -4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.102 2.697 -2.444 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.789 2.605 -4.166 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.629 0.393 -5.288 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.057 0.725 -1.063 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.891 -1.937 -5.032 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.324 -1.604 -0.804 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.733 -2.938 -2.787 1.00 0.00 H new ATOM 950 N LEU A 65 3.889 3.533 -5.708 1.00 0.00 N ATOM 951 CA LEU A 65 4.107 4.698 -6.558 1.00 0.00 C ATOM 952 C LEU A 65 3.174 5.840 -6.166 1.00 0.00 C ATOM 953 O LEU A 65 3.602 6.986 -6.031 1.00 0.00 O ATOM 954 CB LEU A 65 3.893 4.330 -8.027 1.00 0.00 C ATOM 955 CG LEU A 65 4.267 5.404 -9.049 1.00 0.00 C ATOM 956 CD1 LEU A 65 5.776 5.468 -9.228 1.00 0.00 C ATOM 957 CD2 LEU A 65 3.581 5.135 -10.381 1.00 0.00 C ATOM 0 H LEU A 65 3.556 2.706 -6.204 1.00 0.00 H new ATOM 0 HA LEU A 65 5.136 5.030 -6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.472 3.433 -8.244 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.843 4.073 -8.167 1.00 0.00 H new ATOM 0 HG LEU A 65 3.925 6.369 -8.675 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.023 6.238 -9.959 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.246 5.709 -8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.142 4.503 -9.579 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.859 5.909 -11.096 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.892 4.162 -10.761 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.500 5.141 -10.241 1.00 0.00 H new ATOM 969 N SER A 66 1.898 5.517 -5.983 1.00 0.00 N ATOM 970 CA SER A 66 0.903 6.516 -5.608 1.00 0.00 C ATOM 971 C SER A 66 0.286 6.186 -4.252 1.00 0.00 C ATOM 972 O SER A 66 0.321 5.040 -3.806 1.00 0.00 O ATOM 973 CB SER A 66 -0.192 6.601 -6.673 1.00 0.00 C ATOM 974 OG SER A 66 0.365 6.636 -7.975 1.00 0.00 O ATOM 0 H SER A 66 1.528 4.572 -6.088 1.00 0.00 H new ATOM 0 HA SER A 66 1.403 7.482 -5.534 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.859 5.744 -6.582 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.796 7.494 -6.508 1.00 0.00 H new ATOM 0 HG SER A 66 -0.355 6.689 -8.638 1.00 0.00 H new ATOM 980 N GLU A 67 -0.278 7.199 -3.603 1.00 0.00 N ATOM 981 CA GLU A 67 -0.902 7.017 -2.298 1.00 0.00 C ATOM 982 C GLU A 67 -2.102 6.078 -2.395 1.00 0.00 C ATOM 983 O GLU A 67 -2.182 5.082 -1.677 1.00 0.00 O ATOM 984 CB GLU A 67 -1.342 8.366 -1.725 1.00 0.00 C ATOM 985 CG GLU A 67 -1.674 8.319 -0.243 1.00 0.00 C ATOM 986 CD GLU A 67 -2.300 9.607 0.256 1.00 0.00 C ATOM 987 OE1 GLU A 67 -3.528 9.770 0.096 1.00 0.00 O ATOM 988 OE2 GLU A 67 -1.563 10.452 0.805 1.00 0.00 O ATOM 0 H GLU A 67 -0.316 8.154 -3.959 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.165 6.570 -1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.549 9.096 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.216 8.716 -2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.357 7.491 -0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.764 8.118 0.323 1.00 0.00 H new ATOM 995 N GLU A 68 -3.031 6.405 -3.288 1.00 0.00 N ATOM 996 CA GLU A 68 -4.226 5.592 -3.477 1.00 0.00 C ATOM 997 C GLU A 68 -3.868 4.111 -3.574 1.00 0.00 C ATOM 998 O GLU A 68 -4.607 3.251 -3.096 1.00 0.00 O ATOM 999 CB GLU A 68 -4.973 6.030 -4.739 1.00 0.00 C ATOM 1000 CG GLU A 68 -4.087 6.120 -5.970 1.00 0.00 C ATOM 1001 CD GLU A 68 -3.539 7.516 -6.194 1.00 0.00 C ATOM 1002 OE1 GLU A 68 -2.634 7.927 -5.438 1.00 0.00 O ATOM 1003 OE2 GLU A 68 -4.015 8.197 -7.126 1.00 0.00 O ATOM 0 H GLU A 68 -2.979 7.226 -3.891 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.872 5.736 -2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.782 5.326 -4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.432 7.002 -4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.258 5.420 -5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.657 5.813 -6.847 1.00 0.00 H new ATOM 1010 N ASP A 69 -2.729 3.824 -4.194 1.00 0.00 N ATOM 1011 CA ASP A 69 -2.271 2.449 -4.353 1.00 0.00 C ATOM 1012 C ASP A 69 -2.056 1.787 -2.996 1.00 0.00 C ATOM 1013 O ASP A 69 -2.349 0.605 -2.817 1.00 0.00 O ATOM 1014 CB ASP A 69 -0.975 2.410 -5.164 1.00 0.00 C ATOM 1015 CG ASP A 69 -1.215 2.599 -6.649 1.00 0.00 C ATOM 1016 OD1 ASP A 69 -1.848 1.716 -7.264 1.00 0.00 O ATOM 1017 OD2 ASP A 69 -0.768 3.628 -7.197 1.00 0.00 O ATOM 0 H ASP A 69 -2.106 4.525 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.042 1.896 -4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.302 3.189 -4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.475 1.456 -4.998 1.00 0.00 H new ATOM 1022 N ALA A 70 -1.543 2.557 -2.042 1.00 0.00 N ATOM 1023 CA ALA A 70 -1.290 2.046 -0.701 1.00 0.00 C ATOM 1024 C ALA A 70 -2.594 1.708 0.013 1.00 0.00 C ATOM 1025 O ALA A 70 -2.772 0.595 0.508 1.00 0.00 O ATOM 1026 CB ALA A 70 -0.490 3.058 0.107 1.00 0.00 C ATOM 0 H ALA A 70 -1.294 3.537 -2.173 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.708 1.129 -0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.308 2.663 1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.463 3.247 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.051 3.990 0.181 1.00 0.00 H new ATOM 1032 N ASP A 71 -3.503 2.676 0.063 1.00 0.00 N ATOM 1033 CA ASP A 71 -4.792 2.480 0.717 1.00 0.00 C ATOM 1034 C ASP A 71 -5.482 1.224 0.194 1.00 0.00 C ATOM 1035 O ASP A 71 -6.147 0.511 0.945 1.00 0.00 O ATOM 1036 CB ASP A 71 -5.690 3.699 0.496 1.00 0.00 C ATOM 1037 CG ASP A 71 -7.145 3.411 0.810 1.00 0.00 C ATOM 1038 OD1 ASP A 71 -7.405 2.574 1.700 1.00 0.00 O ATOM 1039 OD2 ASP A 71 -8.023 4.022 0.166 1.00 0.00 O ATOM 0 H ASP A 71 -3.371 3.603 -0.341 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.614 2.357 1.785 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.342 4.521 1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.603 4.028 -0.540 1.00 0.00 H new ATOM 1044 N TYR A 72 -5.319 0.961 -1.098 1.00 0.00 N ATOM 1045 CA TYR A 72 -5.929 -0.207 -1.722 1.00 0.00 C ATOM 1046 C TYR A 72 -5.243 -1.491 -1.264 1.00 0.00 C ATOM 1047 O TYR A 72 -5.885 -2.529 -1.107 1.00 0.00 O ATOM 1048 CB TYR A 72 -5.856 -0.094 -3.246 1.00 0.00 C ATOM 1049 CG TYR A 72 -6.709 -1.111 -3.971 1.00 0.00 C ATOM 1050 CD1 TYR A 72 -6.225 -2.385 -4.240 1.00 0.00 C ATOM 1051 CD2 TYR A 72 -7.997 -0.797 -4.386 1.00 0.00 C ATOM 1052 CE1 TYR A 72 -7.000 -3.318 -4.902 1.00 0.00 C ATOM 1053 CE2 TYR A 72 -8.779 -1.724 -5.048 1.00 0.00 C ATOM 1054 CZ TYR A 72 -8.276 -2.983 -5.304 1.00 0.00 C ATOM 1055 OH TYR A 72 -9.052 -3.908 -5.964 1.00 0.00 O ATOM 0 H TYR A 72 -4.770 1.540 -1.733 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.974 -0.245 -1.416 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.168 0.907 -3.543 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.819 -0.211 -3.561 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.226 -2.651 -3.926 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.394 0.188 -4.188 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.609 -4.304 -5.104 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.779 -1.464 -5.363 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.923 -3.513 -6.176 1.00 0.00 H new ATOM 1065 N ALA A 73 -3.934 -1.410 -1.049 1.00 0.00 N ATOM 1066 CA ALA A 73 -3.160 -2.563 -0.605 1.00 0.00 C ATOM 1067 C ALA A 73 -3.323 -2.790 0.894 1.00 0.00 C ATOM 1068 O ALA A 73 -3.236 -3.921 1.373 1.00 0.00 O ATOM 1069 CB ALA A 73 -1.691 -2.379 -0.957 1.00 0.00 C ATOM 0 H ALA A 73 -3.387 -0.558 -1.175 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.539 -3.445 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.125 -3.247 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.586 -2.274 -2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.309 -1.484 -0.467 1.00 0.00 H new ATOM 1075 N ILE A 74 -3.560 -1.708 1.629 1.00 0.00 N ATOM 1076 CA ILE A 74 -3.735 -1.791 3.073 1.00 0.00 C ATOM 1077 C ILE A 74 -5.125 -2.306 3.430 1.00 0.00 C ATOM 1078 O ILE A 74 -5.378 -2.708 4.566 1.00 0.00 O ATOM 1079 CB ILE A 74 -3.520 -0.422 3.745 1.00 0.00 C ATOM 1080 CG1 ILE A 74 -2.105 0.090 3.468 1.00 0.00 C ATOM 1081 CG2 ILE A 74 -3.769 -0.522 5.243 1.00 0.00 C ATOM 1082 CD1 ILE A 74 -1.906 1.545 3.832 1.00 0.00 C ATOM 0 H ILE A 74 -3.635 -0.765 1.248 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.985 -2.491 3.442 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.232 0.288 3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.392 -0.517 4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.879 -0.046 2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.613 0.453 5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.794 -0.847 5.421 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.078 -1.244 5.679 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.880 1.839 3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.594 2.162 3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.100 1.684 4.896 1.00 0.00 H new ATOM 1094 N LYS A 75 -6.024 -2.294 2.451 1.00 0.00 N ATOM 1095 CA LYS A 75 -7.389 -2.763 2.659 1.00 0.00 C ATOM 1096 C LYS A 75 -7.519 -4.238 2.294 1.00 0.00 C ATOM 1097 O LYS A 75 -8.367 -4.948 2.835 1.00 0.00 O ATOM 1098 CB LYS A 75 -8.368 -1.933 1.826 1.00 0.00 C ATOM 1099 CG LYS A 75 -8.671 -2.535 0.465 1.00 0.00 C ATOM 1100 CD LYS A 75 -9.387 -1.543 -0.437 1.00 0.00 C ATOM 1101 CE LYS A 75 -10.893 -1.591 -0.233 1.00 0.00 C ATOM 1102 NZ LYS A 75 -11.632 -1.185 -1.461 1.00 0.00 N ATOM 0 H LYS A 75 -5.831 -1.964 1.505 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.630 -2.645 3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.300 -1.822 2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.958 -0.933 1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.742 -2.853 -0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.287 -3.426 0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.023 -0.536 -0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.153 -1.762 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.189 -2.601 0.052 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.169 -0.933 0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.655 -1.231 -1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.369 -0.212 -1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.388 -1.828 -2.241 1.00 0.00 H new ATOM 1116 N ILE A 76 -6.672 -4.693 1.376 1.00 0.00 N ATOM 1117 CA ILE A 76 -6.692 -6.084 0.942 1.00 0.00 C ATOM 1118 C ILE A 76 -5.581 -6.885 1.614 1.00 0.00 C ATOM 1119 O ILE A 76 -5.786 -8.027 2.023 1.00 0.00 O ATOM 1120 CB ILE A 76 -6.540 -6.199 -0.586 1.00 0.00 C ATOM 1121 CG1 ILE A 76 -5.192 -5.629 -1.031 1.00 0.00 C ATOM 1122 CG2 ILE A 76 -7.683 -5.480 -1.287 1.00 0.00 C ATOM 1123 CD1 ILE A 76 -4.932 -5.780 -2.513 1.00 0.00 C ATOM 0 H ILE A 76 -5.964 -4.118 0.919 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.659 -6.492 1.234 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.576 -7.253 -0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.149 -4.572 -0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.396 -6.127 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.562 -5.570 -2.367 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.631 -5.928 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.676 -4.426 -1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.959 -5.354 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.942 -6.837 -2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.707 -5.258 -3.073 1.00 0.00 H new ATOM 1135 N MET A 77 -4.405 -6.276 1.726 1.00 0.00 N ATOM 1136 CA MET A 77 -3.262 -6.932 2.351 1.00 0.00 C ATOM 1137 C MET A 77 -3.316 -6.787 3.868 1.00 0.00 C ATOM 1138 O MET A 77 -2.292 -6.878 4.547 1.00 0.00 O ATOM 1139 CB MET A 77 -1.955 -6.343 1.817 1.00 0.00 C ATOM 1140 CG MET A 77 -1.904 -6.252 0.300 1.00 0.00 C ATOM 1141 SD MET A 77 -2.396 -7.789 -0.505 1.00 0.00 S ATOM 1142 CE MET A 77 -0.883 -8.224 -1.358 1.00 0.00 C ATOM 0 H MET A 77 -4.219 -5.330 1.393 1.00 0.00 H new ATOM 0 HA MET A 77 -3.302 -7.993 2.103 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.817 -5.347 2.237 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.122 -6.954 2.164 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.558 -5.446 -0.034 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.892 -5.991 -0.011 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.894 -9.287 -1.600 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.804 -7.643 -2.277 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.029 -8.007 -0.717 1.00 0.00 H new ATOM 1152 N ASP A 78 -4.515 -6.561 4.395 1.00 0.00 N ATOM 1153 CA ASP A 78 -4.701 -6.405 5.832 1.00 0.00 C ATOM 1154 C ASP A 78 -5.226 -7.695 6.456 1.00 0.00 C ATOM 1155 O ASP A 78 -6.046 -8.394 5.861 1.00 0.00 O ATOM 1156 CB ASP A 78 -5.668 -5.255 6.121 1.00 0.00 C ATOM 1157 CG ASP A 78 -6.461 -5.471 7.394 1.00 0.00 C ATOM 1158 OD1 ASP A 78 -7.349 -6.350 7.399 1.00 0.00 O ATOM 1159 OD2 ASP A 78 -6.194 -4.762 8.387 1.00 0.00 O ATOM 0 H ASP A 78 -5.372 -6.482 3.848 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.732 -6.176 6.275 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.107 -4.324 6.200 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.356 -5.143 5.283 1.00 0.00 H new ATOM 1164 N MET A 79 -4.746 -8.004 7.656 1.00 0.00 N ATOM 1165 CA MET A 79 -5.166 -9.210 8.359 1.00 0.00 C ATOM 1166 C MET A 79 -5.045 -10.435 7.458 1.00 0.00 C ATOM 1167 O MET A 79 -5.847 -11.365 7.549 1.00 0.00 O ATOM 1168 CB MET A 79 -6.608 -9.064 8.850 1.00 0.00 C ATOM 1169 CG MET A 79 -6.723 -8.385 10.205 1.00 0.00 C ATOM 1170 SD MET A 79 -8.410 -8.389 10.843 1.00 0.00 S ATOM 1171 CE MET A 79 -8.183 -9.253 12.395 1.00 0.00 C ATOM 0 H MET A 79 -4.066 -7.436 8.162 1.00 0.00 H new ATOM 0 HA MET A 79 -4.509 -9.347 9.218 1.00 0.00 H new ATOM 0 HB2 MET A 79 -7.177 -8.492 8.117 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.065 -10.052 8.908 1.00 0.00 H new ATOM 0 HG2 MET A 79 -6.069 -8.889 10.916 1.00 0.00 H new ATOM 0 HG3 MET A 79 -6.372 -7.356 10.123 1.00 0.00 H new ATOM 0 HE1 MET A 79 -9.155 -9.539 12.798 1.00 0.00 H new ATOM 0 HE2 MET A 79 -7.581 -10.147 12.229 1.00 0.00 H new ATOM 0 HE3 MET A 79 -7.675 -8.600 13.104 1.00 0.00 H new ATOM 1181 N ILE A 80 -4.039 -10.429 6.591 1.00 0.00 N ATOM 1182 CA ILE A 80 -3.813 -11.540 5.675 1.00 0.00 C ATOM 1183 C ILE A 80 -3.160 -12.718 6.390 1.00 0.00 C ATOM 1184 O ILE A 80 -2.519 -12.551 7.428 1.00 0.00 O ATOM 1185 CB ILE A 80 -2.928 -11.120 4.487 1.00 0.00 C ATOM 1186 CG1 ILE A 80 -3.761 -10.378 3.440 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -2.255 -12.337 3.871 1.00 0.00 C ATOM 1188 CD1 ILE A 80 -3.128 -10.361 2.066 1.00 0.00 C ATOM 0 H ILE A 80 -3.367 -9.667 6.503 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.790 -11.843 5.299 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.152 -10.446 4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.744 -10.844 3.373 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.917 -9.352 3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.633 -12.023 3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.634 -12.827 4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.015 -13.034 3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.773 -9.818 1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.157 -9.868 2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.997 -11.384 1.713 1.00 0.00 H new ATOM 1200 N LYS A 81 -3.325 -13.910 5.827 1.00 0.00 N ATOM 1201 CA LYS A 81 -2.749 -15.117 6.407 1.00 0.00 C ATOM 1202 C LYS A 81 -1.656 -15.685 5.508 1.00 0.00 C ATOM 1203 O LYS A 81 -1.926 -16.501 4.625 1.00 0.00 O ATOM 1204 CB LYS A 81 -3.837 -16.169 6.632 1.00 0.00 C ATOM 1205 CG LYS A 81 -4.500 -16.077 7.995 1.00 0.00 C ATOM 1206 CD LYS A 81 -5.017 -17.429 8.457 1.00 0.00 C ATOM 1207 CE LYS A 81 -5.953 -17.291 9.648 1.00 0.00 C ATOM 1208 NZ LYS A 81 -6.952 -18.395 9.699 1.00 0.00 N ATOM 0 H LYS A 81 -3.854 -14.066 4.969 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.304 -14.852 7.366 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.598 -16.063 5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.401 -17.161 6.516 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.786 -15.692 8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.325 -15.366 7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.541 -17.919 7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.176 -18.069 8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.370 -17.286 10.569 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.472 -16.334 9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.571 -18.265 10.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.525 -18.385 8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.458 -19.307 9.777 1.00 0.00 H new ATOM 1222 N LEU A 82 -0.422 -15.252 5.738 1.00 0.00 N ATOM 1223 CA LEU A 82 0.713 -15.719 4.949 1.00 0.00 C ATOM 1224 C LEU A 82 1.570 -16.693 5.752 1.00 0.00 C ATOM 1225 O LEU A 82 1.637 -16.611 6.978 1.00 0.00 O ATOM 1226 CB LEU A 82 1.563 -14.532 4.491 1.00 0.00 C ATOM 1227 CG LEU A 82 2.672 -14.850 3.487 1.00 0.00 C ATOM 1228 CD1 LEU A 82 2.080 -15.327 2.170 1.00 0.00 C ATOM 1229 CD2 LEU A 82 3.556 -13.631 3.266 1.00 0.00 C ATOM 0 H LEU A 82 -0.181 -14.578 6.465 1.00 0.00 H new ATOM 0 HA LEU A 82 0.326 -16.241 4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.902 -13.787 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.016 -14.074 5.370 1.00 0.00 H new ATOM 0 HG LEU A 82 3.287 -15.651 3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.884 -15.548 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.490 -16.227 2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.441 -14.548 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.340 -13.875 2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.953 -12.810 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.009 -13.334 4.212 1.00 0.00 H new ATOM 1241 N TYR A 83 2.224 -17.612 5.051 1.00 0.00 N ATOM 1242 CA TYR A 83 3.077 -18.602 5.698 1.00 0.00 C ATOM 1243 C TYR A 83 2.666 -18.808 7.152 1.00 0.00 C ATOM 1244 O TYR A 83 3.481 -18.676 8.064 1.00 0.00 O ATOM 1245 CB TYR A 83 4.542 -18.168 5.627 1.00 0.00 C ATOM 1246 CG TYR A 83 5.098 -18.140 4.221 1.00 0.00 C ATOM 1247 CD1 TYR A 83 4.922 -19.217 3.361 1.00 0.00 C ATOM 1248 CD2 TYR A 83 5.799 -17.036 3.752 1.00 0.00 C ATOM 1249 CE1 TYR A 83 5.429 -19.196 2.076 1.00 0.00 C ATOM 1250 CE2 TYR A 83 6.308 -17.005 2.468 1.00 0.00 C ATOM 1251 CZ TYR A 83 6.120 -18.088 1.634 1.00 0.00 C ATOM 1252 OH TYR A 83 6.626 -18.062 0.354 1.00 0.00 O ATOM 0 H TYR A 83 2.180 -17.692 4.035 1.00 0.00 H new ATOM 0 HA TYR A 83 2.959 -19.547 5.169 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.640 -17.176 6.067 1.00 0.00 H new ATOM 0 HB3 TYR A 83 5.143 -18.846 6.233 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.379 -20.086 3.703 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.949 -16.187 4.403 1.00 0.00 H new ATOM 0 HE1 TYR A 83 5.285 -20.043 1.421 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.850 -16.138 2.119 1.00 0.00 H new ATOM 0 HH TYR A 83 7.084 -17.209 0.201 1.00 0.00 H new ATOM 1262 N GLY A 84 1.394 -19.134 7.361 1.00 0.00 N ATOM 1263 CA GLY A 84 0.895 -19.354 8.705 1.00 0.00 C ATOM 1264 C GLY A 84 1.232 -18.212 9.643 1.00 0.00 C ATOM 1265 O GLY A 84 1.964 -18.393 10.617 1.00 0.00 O ATOM 0 H GLY A 84 0.700 -19.250 6.622 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.187 -19.485 8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.316 -20.279 9.098 1.00 0.00 H new ATOM 1269 N LYS A 85 0.700 -17.030 9.349 1.00 0.00 N ATOM 1270 CA LYS A 85 0.948 -15.853 10.172 1.00 0.00 C ATOM 1271 C LYS A 85 0.056 -14.692 9.744 1.00 0.00 C ATOM 1272 O LYS A 85 0.157 -14.179 8.629 1.00 0.00 O ATOM 1273 CB LYS A 85 2.419 -15.441 10.080 1.00 0.00 C ATOM 1274 CG LYS A 85 3.300 -16.092 11.132 1.00 0.00 C ATOM 1275 CD LYS A 85 4.475 -15.203 11.504 1.00 0.00 C ATOM 1276 CE LYS A 85 4.034 -14.027 12.363 1.00 0.00 C ATOM 1277 NZ LYS A 85 3.762 -14.438 13.768 1.00 0.00 N ATOM 0 H LYS A 85 0.094 -16.862 8.546 1.00 0.00 H new ATOM 0 HA LYS A 85 0.713 -16.107 11.205 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.798 -15.698 9.091 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.491 -14.358 10.178 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.708 -16.305 12.022 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.669 -17.047 10.758 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.220 -15.789 12.042 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.954 -14.833 10.598 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.808 -13.259 12.352 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.136 -13.581 11.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.530 -13.599 14.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.961 -15.101 13.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.605 -14.902 14.163 1.00 0.00 H new ATOM 1291 N PRO A 86 -0.837 -14.264 10.649 1.00 0.00 N ATOM 1292 CA PRO A 86 -1.761 -13.157 10.387 1.00 0.00 C ATOM 1293 C PRO A 86 -1.048 -11.812 10.311 1.00 0.00 C ATOM 1294 O PRO A 86 -0.999 -11.069 11.292 1.00 0.00 O ATOM 1295 CB PRO A 86 -2.707 -13.194 11.590 1.00 0.00 C ATOM 1296 CG PRO A 86 -1.915 -13.836 12.676 1.00 0.00 C ATOM 1297 CD PRO A 86 -1.011 -14.828 11.998 1.00 0.00 C ATOM 0 HA PRO A 86 -2.265 -13.265 9.427 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.027 -12.191 11.873 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.608 -13.765 11.367 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.337 -13.095 13.228 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.568 -14.331 13.395 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.058 -14.925 12.519 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.458 -15.821 11.964 1.00 0.00 H new ATOM 1305 N ILE A 87 -0.498 -11.505 9.141 1.00 0.00 N ATOM 1306 CA ILE A 87 0.211 -10.247 8.938 1.00 0.00 C ATOM 1307 C ILE A 87 -0.687 -9.054 9.246 1.00 0.00 C ATOM 1308 O ILE A 87 -1.905 -9.192 9.354 1.00 0.00 O ATOM 1309 CB ILE A 87 0.733 -10.123 7.494 1.00 0.00 C ATOM 1310 CG1 ILE A 87 -0.433 -9.947 6.520 1.00 0.00 C ATOM 1311 CG2 ILE A 87 1.561 -11.344 7.123 1.00 0.00 C ATOM 1312 CD1 ILE A 87 -0.023 -9.367 5.185 1.00 0.00 C ATOM 0 H ILE A 87 -0.529 -12.109 8.320 1.00 0.00 H new ATOM 0 HA ILE A 87 1.058 -10.247 9.624 1.00 0.00 H new ATOM 0 HB ILE A 87 1.372 -9.242 7.429 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.908 -10.914 6.356 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.181 -9.297 6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.923 -11.241 6.100 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.410 -11.428 7.801 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.944 -12.239 7.202 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.900 -9.270 4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.425 -8.385 5.337 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.702 -10.027 4.709 1.00 0.00 H new ATOM 1324 N ARG A 88 -0.076 -7.882 9.386 1.00 0.00 N ATOM 1325 CA ARG A 88 -0.820 -6.663 9.681 1.00 0.00 C ATOM 1326 C ARG A 88 -0.344 -5.509 8.804 1.00 0.00 C ATOM 1327 O ARG A 88 0.827 -5.130 8.840 1.00 0.00 O ATOM 1328 CB ARG A 88 -0.667 -6.292 11.157 1.00 0.00 C ATOM 1329 CG ARG A 88 -1.826 -5.474 11.703 1.00 0.00 C ATOM 1330 CD ARG A 88 -3.028 -6.350 12.018 1.00 0.00 C ATOM 1331 NE ARG A 88 -4.251 -5.567 12.172 1.00 0.00 N ATOM 1332 CZ ARG A 88 -5.301 -5.975 12.876 1.00 0.00 C ATOM 1333 NH1 ARG A 88 -5.277 -7.151 13.488 1.00 0.00 N ATOM 1334 NH2 ARG A 88 -6.378 -5.206 12.969 1.00 0.00 N ATOM 0 H ARG A 88 0.932 -7.751 9.300 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.872 -6.849 9.467 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.570 -7.205 11.744 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.257 -5.729 11.287 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.510 -4.951 12.605 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.110 -4.713 10.976 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.163 -7.080 11.220 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.838 -6.910 12.934 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.302 -4.657 11.714 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.451 -7.745 13.419 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.085 -7.462 14.028 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.400 -4.301 12.500 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.184 -5.520 13.510 1.00 0.00 H new ATOM 1348 N VAL A 89 -1.260 -4.955 8.016 1.00 0.00 N ATOM 1349 CA VAL A 89 -0.934 -3.844 7.130 1.00 0.00 C ATOM 1350 C VAL A 89 -1.770 -2.613 7.461 1.00 0.00 C ATOM 1351 O VAL A 89 -2.988 -2.699 7.610 1.00 0.00 O ATOM 1352 CB VAL A 89 -1.157 -4.220 5.653 1.00 0.00 C ATOM 1353 CG1 VAL A 89 -0.868 -3.031 4.749 1.00 0.00 C ATOM 1354 CG2 VAL A 89 -0.295 -5.413 5.271 1.00 0.00 C ATOM 0 H VAL A 89 -2.233 -5.257 7.973 1.00 0.00 H new ATOM 0 HA VAL A 89 0.121 -3.616 7.284 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.202 -4.500 5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.031 -3.316 3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.533 -2.207 5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.167 -2.717 4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.465 -5.665 4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.756 -5.164 5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.557 -6.266 5.897 1.00 0.00 H new ATOM 1364 N ASN A 90 -1.107 -1.467 7.575 1.00 0.00 N ATOM 1365 CA ASN A 90 -1.789 -0.217 7.889 1.00 0.00 C ATOM 1366 C ASN A 90 -1.009 0.979 7.351 1.00 0.00 C ATOM 1367 O ASN A 90 0.186 0.880 7.071 1.00 0.00 O ATOM 1368 CB ASN A 90 -1.975 -0.079 9.402 1.00 0.00 C ATOM 1369 CG ASN A 90 -2.443 1.306 9.803 1.00 0.00 C ATOM 1370 OD1 ASN A 90 -1.636 2.218 9.984 1.00 0.00 O ATOM 1371 ND2 ASN A 90 -3.753 1.470 9.945 1.00 0.00 N ATOM 0 H ASN A 90 -0.098 -1.378 7.455 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.767 -0.236 7.409 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.699 -0.818 9.745 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.032 -0.300 9.903 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.127 2.380 10.214 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.385 0.686 9.785 1.00 0.00 H new ATOM 1378 N LYS A 91 -1.693 2.109 7.209 1.00 0.00 N ATOM 1379 CA LYS A 91 -1.066 3.326 6.706 1.00 0.00 C ATOM 1380 C LYS A 91 0.278 3.567 7.387 1.00 0.00 C ATOM 1381 O LYS A 91 0.356 3.660 8.612 1.00 0.00 O ATOM 1382 CB LYS A 91 -1.986 4.528 6.930 1.00 0.00 C ATOM 1383 CG LYS A 91 -2.931 4.795 5.771 1.00 0.00 C ATOM 1384 CD LYS A 91 -3.944 3.674 5.610 1.00 0.00 C ATOM 1385 CE LYS A 91 -5.149 4.124 4.797 1.00 0.00 C ATOM 1386 NZ LYS A 91 -6.132 4.871 5.629 1.00 0.00 N ATOM 0 H LYS A 91 -2.683 2.208 7.435 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.895 3.202 5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.571 4.363 7.835 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.376 5.415 7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.453 5.738 5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.358 4.904 4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.471 2.822 5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.273 3.335 6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.816 4.756 3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.634 3.254 4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.938 5.160 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.469 4.260 6.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.676 5.715 6.030 1.00 0.00 H new ATOM 1400 N ALA A 92 1.333 3.668 6.585 1.00 0.00 N ATOM 1401 CA ALA A 92 2.672 3.902 7.111 1.00 0.00 C ATOM 1402 C ALA A 92 2.725 5.188 7.928 1.00 0.00 C ATOM 1403 O ALA A 92 3.526 5.315 8.853 1.00 0.00 O ATOM 1404 CB ALA A 92 3.683 3.954 5.975 1.00 0.00 C ATOM 0 H ALA A 92 1.286 3.591 5.569 1.00 0.00 H new ATOM 0 HA ALA A 92 2.926 3.073 7.772 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.679 4.129 6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.673 3.007 5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.422 4.763 5.293 1.00 0.00 H new