USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 665 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 50 ASN : amide:sc= -2.23 K(o=-9,f=-9.7) USER MOD Set 1.2: A 53 ASN : amide:sc= -6.81! C(o=-9!,f=-9.7!) USER MOD Single : A 18 SER OG : rot 34:sc= -0.163! USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0323 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.092) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.945 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -1.36 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -118:sc= -0.236 (180deg=-1.79!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -2.43! C(o=-2.4!,f=-6.6!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -167:sc=-0.00724 (180deg=-0.174) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 2.21 K(o=2.2,f=-0.0016) USER MOD Single : A 65 ASN : amide:sc= -7.11! C(o=-7.1!,f=-7!) USER MOD Single : A 67 HIS : no HD1:sc= -0.493 K(o=-0.49,f=-1.3) USER MOD Single : A 71 THR OG1 : rot -95:sc= 0.13 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00279) USER MOD Single : A 77 ASN : amide:sc= -0.188 K(o=-0.19,f=-2.4!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.29 K(o=-1.3,f=-2!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 100 THR OG1 : rot -17:sc= 0.426 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 219 N SER A 18 0.484 -7.565 -4.873 1.00 0.00 N ATOM 220 CA SER A 18 -0.001 -7.174 -3.555 1.00 0.00 C ATOM 221 C SER A 18 0.561 -5.814 -3.150 1.00 0.00 C ATOM 222 O SER A 18 1.288 -5.177 -3.914 1.00 0.00 O ATOM 223 CB SER A 18 0.381 -8.227 -2.514 1.00 0.00 C ATOM 224 OG SER A 18 -0.496 -8.188 -1.402 1.00 0.00 O ATOM 0 HA SER A 18 -1.087 -7.099 -3.603 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.354 -9.218 -2.968 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.405 -8.058 -2.180 1.00 0.00 H new ATOM 0 HG SER A 18 -1.398 -7.953 -1.705 1.00 0.00 H new ATOM 230 N LEU A 19 0.221 -5.376 -1.943 1.00 0.00 N ATOM 231 CA LEU A 19 0.691 -4.092 -1.435 1.00 0.00 C ATOM 232 C LEU A 19 2.212 -4.004 -1.501 1.00 0.00 C ATOM 233 O LEU A 19 2.777 -2.916 -1.609 1.00 0.00 O ATOM 234 CB LEU A 19 0.220 -3.888 0.006 1.00 0.00 C ATOM 235 CG LEU A 19 -1.287 -3.711 0.201 1.00 0.00 C ATOM 236 CD1 LEU A 19 -1.677 -4.008 1.640 1.00 0.00 C ATOM 237 CD2 LEU A 19 -1.713 -2.303 -0.190 1.00 0.00 C ATOM 0 H LEU A 19 -0.378 -5.891 -1.298 1.00 0.00 H new ATOM 0 HA LEU A 19 0.272 -3.306 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.545 -4.744 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.724 -3.011 0.411 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.804 -4.419 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.752 -3.877 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.407 -5.035 1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.152 -3.325 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.788 -2.195 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.188 -1.578 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.469 -2.127 -1.237 1.00 0.00 H new ATOM 249 N TYR A 20 2.869 -5.157 -1.440 1.00 0.00 N ATOM 250 CA TYR A 20 4.325 -5.210 -1.493 1.00 0.00 C ATOM 251 C TYR A 20 4.862 -4.330 -2.617 1.00 0.00 C ATOM 252 O TYR A 20 5.856 -3.623 -2.448 1.00 0.00 O ATOM 253 CB TYR A 20 4.797 -6.652 -1.689 1.00 0.00 C ATOM 254 CG TYR A 20 4.121 -7.641 -0.766 1.00 0.00 C ATOM 255 CD1 TYR A 20 4.139 -7.461 0.611 1.00 0.00 C ATOM 256 CD2 TYR A 20 3.464 -8.756 -1.273 1.00 0.00 C ATOM 257 CE1 TYR A 20 3.523 -8.362 1.457 1.00 0.00 C ATOM 258 CE2 TYR A 20 2.844 -9.662 -0.434 1.00 0.00 C ATOM 259 CZ TYR A 20 2.877 -9.461 0.930 1.00 0.00 C ATOM 260 OH TYR A 20 2.262 -10.361 1.770 1.00 0.00 O ATOM 0 H TYR A 20 2.416 -6.067 -1.354 1.00 0.00 H new ATOM 0 HA TYR A 20 4.711 -4.834 -0.546 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.614 -6.948 -2.722 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.874 -6.698 -1.530 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.643 -6.602 1.027 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.438 -8.917 -2.341 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.547 -8.207 2.526 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.336 -10.523 -0.844 1.00 0.00 H new ATOM 0 HH TYR A 20 1.853 -11.076 1.240 1.00 0.00 H new ATOM 270 N HIS A 21 4.197 -4.379 -3.767 1.00 0.00 N ATOM 271 CA HIS A 21 4.605 -3.585 -4.921 1.00 0.00 C ATOM 272 C HIS A 21 4.421 -2.095 -4.648 1.00 0.00 C ATOM 273 O HIS A 21 5.327 -1.295 -4.879 1.00 0.00 O ATOM 274 CB HIS A 21 3.802 -3.993 -6.156 1.00 0.00 C ATOM 275 CG HIS A 21 4.250 -5.287 -6.762 1.00 0.00 C ATOM 276 ND1 HIS A 21 4.750 -5.385 -8.043 1.00 0.00 N ATOM 277 CD2 HIS A 21 4.272 -6.541 -6.254 1.00 0.00 C ATOM 278 CE1 HIS A 21 5.060 -6.644 -8.297 1.00 0.00 C ATOM 279 NE2 HIS A 21 4.780 -7.366 -7.228 1.00 0.00 N ATOM 0 H HIS A 21 3.374 -4.960 -3.925 1.00 0.00 H new ATOM 0 HA HIS A 21 5.662 -3.774 -5.106 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.750 -4.074 -5.884 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.878 -3.205 -6.905 1.00 0.00 H new ATOM 0 HD2 HIS A 21 3.950 -6.838 -5.267 1.00 0.00 H new ATOM 0 HE1 HIS A 21 5.472 -7.019 -9.222 1.00 0.00 H new ATOM 0 HE2 HIS A 21 4.918 -8.373 -7.140 1.00 0.00 H new ATOM 287 N VAL A 22 3.241 -1.730 -4.156 1.00 0.00 N ATOM 288 CA VAL A 22 2.938 -0.337 -3.852 1.00 0.00 C ATOM 289 C VAL A 22 4.141 0.365 -3.233 1.00 0.00 C ATOM 290 O VAL A 22 4.340 1.566 -3.423 1.00 0.00 O ATOM 291 CB VAL A 22 1.739 -0.220 -2.892 1.00 0.00 C ATOM 292 CG1 VAL A 22 1.626 1.196 -2.348 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.454 -0.634 -3.593 1.00 0.00 C ATOM 0 H VAL A 22 2.480 -2.380 -3.960 1.00 0.00 H new ATOM 0 HA VAL A 22 2.686 0.145 -4.796 1.00 0.00 H new ATOM 0 HB VAL A 22 1.902 -0.894 -2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.773 1.259 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.537 1.452 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.486 1.893 -3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.383 -0.545 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.284 0.014 -4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.539 -1.668 -3.929 1.00 0.00 H new ATOM 303 N LEU A 23 4.943 -0.392 -2.491 1.00 0.00 N ATOM 304 CA LEU A 23 6.129 0.157 -1.842 1.00 0.00 C ATOM 305 C LEU A 23 7.388 -0.183 -2.633 1.00 0.00 C ATOM 306 O LEU A 23 8.388 0.530 -2.563 1.00 0.00 O ATOM 307 CB LEU A 23 6.249 -0.380 -0.415 1.00 0.00 C ATOM 308 CG LEU A 23 4.994 -0.270 0.451 1.00 0.00 C ATOM 309 CD1 LEU A 23 5.250 -0.841 1.837 1.00 0.00 C ATOM 310 CD2 LEU A 23 4.535 1.178 0.545 1.00 0.00 C ATOM 0 H LEU A 23 4.794 -1.387 -2.324 1.00 0.00 H new ATOM 0 HA LEU A 23 6.025 1.241 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.540 -1.429 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.059 0.151 0.085 1.00 0.00 H new ATOM 0 HG LEU A 23 4.200 -0.852 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.346 -0.754 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.530 -1.891 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.059 -0.288 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.641 1.237 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.326 1.782 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.310 1.554 -0.453 1.00 0.00 H new ATOM 322 N GLY A 24 7.330 -1.275 -3.389 1.00 0.00 N ATOM 323 CA GLY A 24 8.471 -1.689 -4.184 1.00 0.00 C ATOM 324 C GLY A 24 9.264 -2.800 -3.526 1.00 0.00 C ATOM 325 O GLY A 24 10.496 -2.785 -3.537 1.00 0.00 O ATOM 0 H GLY A 24 6.513 -1.881 -3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.126 -2.024 -5.162 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.123 -0.832 -4.352 1.00 0.00 H new ATOM 329 N LEU A 25 8.559 -3.767 -2.948 1.00 0.00 N ATOM 330 CA LEU A 25 9.205 -4.891 -2.280 1.00 0.00 C ATOM 331 C LEU A 25 8.753 -6.216 -2.884 1.00 0.00 C ATOM 332 O LEU A 25 8.016 -6.242 -3.870 1.00 0.00 O ATOM 333 CB LEU A 25 8.892 -4.867 -0.783 1.00 0.00 C ATOM 334 CG LEU A 25 9.527 -3.729 0.018 1.00 0.00 C ATOM 335 CD1 LEU A 25 9.073 -3.779 1.468 1.00 0.00 C ATOM 336 CD2 LEU A 25 11.045 -3.797 -0.071 1.00 0.00 C ATOM 0 H LEU A 25 7.540 -3.795 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 25 10.282 -4.797 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.810 -4.812 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.215 -5.814 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 25 9.200 -2.782 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.535 -2.962 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.988 -3.681 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.370 -4.730 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.480 -2.980 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.391 -4.749 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.353 -3.711 -1.113 1.00 0.00 H new ATOM 348 N ASP A 26 9.199 -7.316 -2.286 1.00 0.00 N ATOM 349 CA ASP A 26 8.838 -8.646 -2.763 1.00 0.00 C ATOM 350 C ASP A 26 7.782 -9.278 -1.862 1.00 0.00 C ATOM 351 O ASP A 26 7.299 -8.652 -0.919 1.00 0.00 O ATOM 352 CB ASP A 26 10.076 -9.541 -2.826 1.00 0.00 C ATOM 353 CG ASP A 26 11.110 -9.032 -3.811 1.00 0.00 C ATOM 354 OD1 ASP A 26 11.182 -7.801 -4.011 1.00 0.00 O ATOM 355 OD2 ASP A 26 11.847 -9.863 -4.381 1.00 0.00 O ATOM 0 H ASP A 26 9.811 -7.313 -1.470 1.00 0.00 H new ATOM 0 HA ASP A 26 8.421 -8.546 -3.765 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.524 -9.606 -1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.777 -10.551 -3.107 1.00 0.00 H new ATOM 360 N LYS A 27 7.428 -10.524 -2.158 1.00 0.00 N ATOM 361 CA LYS A 27 6.430 -11.243 -1.376 1.00 0.00 C ATOM 362 C LYS A 27 7.002 -11.676 -0.030 1.00 0.00 C ATOM 363 O LYS A 27 6.319 -11.620 0.992 1.00 0.00 O ATOM 364 CB LYS A 27 5.931 -12.467 -2.147 1.00 0.00 C ATOM 365 CG LYS A 27 5.310 -12.128 -3.491 1.00 0.00 C ATOM 366 CD LYS A 27 3.830 -11.811 -3.357 1.00 0.00 C ATOM 367 CE LYS A 27 3.177 -11.609 -4.716 1.00 0.00 C ATOM 368 NZ LYS A 27 1.874 -10.898 -4.605 1.00 0.00 N ATOM 0 H LYS A 27 7.818 -11.057 -2.935 1.00 0.00 H new ATOM 0 HA LYS A 27 5.593 -10.569 -1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.764 -13.152 -2.304 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.196 -12.994 -1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.828 -11.274 -3.927 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.443 -12.965 -4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.330 -12.623 -2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.703 -10.912 -2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.847 -11.040 -5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.023 -12.577 -5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.461 -10.780 -5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.225 -11.453 -4.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.024 -9.964 -4.174 1.00 0.00 H new ATOM 382 N ASN A 28 8.259 -12.106 -0.037 1.00 0.00 N ATOM 383 CA ASN A 28 8.924 -12.547 1.184 1.00 0.00 C ATOM 384 C ASN A 28 9.674 -11.394 1.842 1.00 0.00 C ATOM 385 O ASN A 28 10.636 -11.606 2.580 1.00 0.00 O ATOM 386 CB ASN A 28 9.892 -13.692 0.878 1.00 0.00 C ATOM 387 CG ASN A 28 10.878 -13.338 -0.219 1.00 0.00 C ATOM 388 OD1 ASN A 28 11.962 -12.821 0.050 1.00 0.00 O ATOM 389 ND2 ASN A 28 10.504 -13.614 -1.463 1.00 0.00 N ATOM 0 H ASN A 28 8.838 -12.159 -0.875 1.00 0.00 H new ATOM 0 HA ASN A 28 8.160 -12.902 1.876 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.439 -13.954 1.784 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.325 -14.574 0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.125 -13.397 -2.242 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.596 -14.043 -1.639 1.00 0.00 H new ATOM 396 N ALA A 29 9.227 -10.172 1.570 1.00 0.00 N ATOM 397 CA ALA A 29 9.854 -8.985 2.138 1.00 0.00 C ATOM 398 C ALA A 29 9.920 -9.073 3.659 1.00 0.00 C ATOM 399 O ALA A 29 9.001 -9.580 4.303 1.00 0.00 O ATOM 400 CB ALA A 29 9.100 -7.735 1.711 1.00 0.00 C ATOM 0 H ALA A 29 8.433 -9.978 0.960 1.00 0.00 H new ATOM 0 HA ALA A 29 10.875 -8.927 1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.579 -6.856 2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.111 -7.657 0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.069 -7.795 2.060 1.00 0.00 H new ATOM 406 N THR A 30 11.014 -8.577 4.229 1.00 0.00 N ATOM 407 CA THR A 30 11.200 -8.601 5.674 1.00 0.00 C ATOM 408 C THR A 30 10.534 -7.399 6.335 1.00 0.00 C ATOM 409 O THR A 30 10.642 -6.273 5.849 1.00 0.00 O ATOM 410 CB THR A 30 12.695 -8.615 6.047 1.00 0.00 C ATOM 411 OG1 THR A 30 13.373 -7.535 5.395 1.00 0.00 O ATOM 412 CG2 THR A 30 13.338 -9.936 5.654 1.00 0.00 C ATOM 0 H THR A 30 11.784 -8.154 3.711 1.00 0.00 H new ATOM 0 HA THR A 30 10.733 -9.516 6.038 1.00 0.00 H new ATOM 0 HB THR A 30 12.779 -8.496 7.127 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.322 -7.550 5.639 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.393 -9.923 5.927 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.839 -10.753 6.175 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.244 -10.081 4.578 1.00 0.00 H new ATOM 420 N SER A 31 9.846 -7.646 7.445 1.00 0.00 N ATOM 421 CA SER A 31 9.160 -6.583 8.171 1.00 0.00 C ATOM 422 C SER A 31 10.009 -5.316 8.210 1.00 0.00 C ATOM 423 O SER A 31 9.493 -4.206 8.085 1.00 0.00 O ATOM 424 CB SER A 31 8.835 -7.038 9.595 1.00 0.00 C ATOM 425 OG SER A 31 9.980 -7.575 10.233 1.00 0.00 O ATOM 0 H SER A 31 9.749 -8.572 7.861 1.00 0.00 H new ATOM 0 HA SER A 31 8.230 -6.360 7.647 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.456 -6.195 10.172 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.044 -7.788 9.569 1.00 0.00 H new ATOM 0 HG SER A 31 9.746 -7.857 11.142 1.00 0.00 H new ATOM 431 N ASP A 32 11.314 -5.492 8.385 1.00 0.00 N ATOM 432 CA ASP A 32 12.236 -4.363 8.441 1.00 0.00 C ATOM 433 C ASP A 32 12.236 -3.596 7.122 1.00 0.00 C ATOM 434 O ASP A 32 12.286 -2.366 7.108 1.00 0.00 O ATOM 435 CB ASP A 32 13.651 -4.849 8.763 1.00 0.00 C ATOM 436 CG ASP A 32 13.923 -4.891 10.254 1.00 0.00 C ATOM 437 OD1 ASP A 32 13.550 -3.925 10.952 1.00 0.00 O ATOM 438 OD2 ASP A 32 14.509 -5.890 10.722 1.00 0.00 O ATOM 0 H ASP A 32 11.757 -6.405 8.490 1.00 0.00 H new ATOM 0 HA ASP A 32 11.902 -3.691 9.231 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.795 -5.844 8.342 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.376 -4.192 8.283 1.00 0.00 H new ATOM 443 N ASP A 33 12.182 -4.331 6.016 1.00 0.00 N ATOM 444 CA ASP A 33 12.176 -3.720 4.692 1.00 0.00 C ATOM 445 C ASP A 33 10.900 -2.912 4.472 1.00 0.00 C ATOM 446 O ASP A 33 10.930 -1.838 3.872 1.00 0.00 O ATOM 447 CB ASP A 33 12.307 -4.794 3.611 1.00 0.00 C ATOM 448 CG ASP A 33 13.724 -5.317 3.484 1.00 0.00 C ATOM 449 OD1 ASP A 33 14.416 -5.416 4.520 1.00 0.00 O ATOM 450 OD2 ASP A 33 14.142 -5.628 2.349 1.00 0.00 O ATOM 0 H ASP A 33 12.142 -5.350 6.010 1.00 0.00 H new ATOM 0 HA ASP A 33 13.029 -3.044 4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.637 -5.622 3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.987 -4.383 2.654 1.00 0.00 H new ATOM 455 N ILE A 34 9.782 -3.438 4.961 1.00 0.00 N ATOM 456 CA ILE A 34 8.496 -2.766 4.818 1.00 0.00 C ATOM 457 C ILE A 34 8.502 -1.413 5.521 1.00 0.00 C ATOM 458 O ILE A 34 8.090 -0.402 4.951 1.00 0.00 O ATOM 459 CB ILE A 34 7.348 -3.621 5.384 1.00 0.00 C ATOM 460 CG1 ILE A 34 7.050 -4.797 4.451 1.00 0.00 C ATOM 461 CG2 ILE A 34 6.103 -2.770 5.586 1.00 0.00 C ATOM 462 CD1 ILE A 34 6.261 -5.906 5.110 1.00 0.00 C ATOM 0 H ILE A 34 9.741 -4.327 5.459 1.00 0.00 H new ATOM 0 HA ILE A 34 8.335 -2.617 3.750 1.00 0.00 H new ATOM 0 HB ILE A 34 7.654 -4.018 6.352 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.496 -4.433 3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.991 -5.203 4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.300 -3.389 5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.323 -1.964 6.286 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.793 -2.347 4.631 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.086 -6.706 4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.822 -6.297 5.958 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.304 -5.515 5.457 1.00 0.00 H new ATOM 474 N LYS A 35 8.973 -1.399 6.763 1.00 0.00 N ATOM 475 CA LYS A 35 9.037 -0.170 7.545 1.00 0.00 C ATOM 476 C LYS A 35 10.109 0.767 6.999 1.00 0.00 C ATOM 477 O LYS A 35 9.934 1.986 6.985 1.00 0.00 O ATOM 478 CB LYS A 35 9.324 -0.490 9.014 1.00 0.00 C ATOM 479 CG LYS A 35 8.181 -1.202 9.716 1.00 0.00 C ATOM 480 CD LYS A 35 8.603 -1.725 11.079 1.00 0.00 C ATOM 481 CE LYS A 35 7.518 -2.587 11.705 1.00 0.00 C ATOM 482 NZ LYS A 35 7.979 -3.230 12.967 1.00 0.00 N ATOM 0 H LYS A 35 9.317 -2.226 7.251 1.00 0.00 H new ATOM 0 HA LYS A 35 8.071 0.329 7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.219 -1.110 9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.543 0.437 9.543 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.341 -0.517 9.832 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.834 -2.031 9.099 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.519 -2.307 10.979 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.828 -0.886 11.738 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.640 -1.974 11.909 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.212 -3.356 10.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.211 -3.809 13.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.801 -3.835 12.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.247 -2.496 13.653 1.00 0.00 H new ATOM 496 N LYS A 36 11.218 0.192 6.548 1.00 0.00 N ATOM 497 CA LYS A 36 12.318 0.975 5.998 1.00 0.00 C ATOM 498 C LYS A 36 11.905 1.653 4.696 1.00 0.00 C ATOM 499 O LYS A 36 12.308 2.783 4.419 1.00 0.00 O ATOM 500 CB LYS A 36 13.537 0.081 5.756 1.00 0.00 C ATOM 501 CG LYS A 36 14.398 -0.121 6.990 1.00 0.00 C ATOM 502 CD LYS A 36 15.427 -1.219 6.779 1.00 0.00 C ATOM 503 CE LYS A 36 16.596 -0.733 5.937 1.00 0.00 C ATOM 504 NZ LYS A 36 17.785 -1.619 6.074 1.00 0.00 N ATOM 0 H LYS A 36 11.379 -0.815 6.553 1.00 0.00 H new ATOM 0 HA LYS A 36 12.579 1.747 6.722 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.199 -0.891 5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.147 0.519 4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.905 0.812 7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.764 -0.374 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.793 -1.567 7.745 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.956 -2.072 6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.295 -0.688 4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.862 0.281 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.560 -1.254 5.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.088 -1.642 7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.539 -2.581 5.764 1.00 0.00 H new ATOM 518 N SER A 37 11.099 0.957 3.901 1.00 0.00 N ATOM 519 CA SER A 37 10.633 1.491 2.627 1.00 0.00 C ATOM 520 C SER A 37 9.678 2.661 2.845 1.00 0.00 C ATOM 521 O SER A 37 9.834 3.724 2.244 1.00 0.00 O ATOM 522 CB SER A 37 9.939 0.397 1.814 1.00 0.00 C ATOM 523 OG SER A 37 9.993 0.681 0.426 1.00 0.00 O ATOM 0 H SER A 37 10.755 0.021 4.117 1.00 0.00 H new ATOM 0 HA SER A 37 11.500 1.850 2.073 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.415 -0.564 2.011 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.900 0.309 2.130 1.00 0.00 H new ATOM 0 HG SER A 37 9.544 -0.034 -0.072 1.00 0.00 H new ATOM 529 N TYR A 38 8.690 2.457 3.708 1.00 0.00 N ATOM 530 CA TYR A 38 7.707 3.492 4.005 1.00 0.00 C ATOM 531 C TYR A 38 8.387 4.841 4.224 1.00 0.00 C ATOM 532 O TYR A 38 8.015 5.842 3.612 1.00 0.00 O ATOM 533 CB TYR A 38 6.893 3.113 5.243 1.00 0.00 C ATOM 534 CG TYR A 38 6.162 4.279 5.868 1.00 0.00 C ATOM 535 CD1 TYR A 38 5.094 4.884 5.217 1.00 0.00 C ATOM 536 CD2 TYR A 38 6.541 4.777 7.108 1.00 0.00 C ATOM 537 CE1 TYR A 38 4.423 5.951 5.784 1.00 0.00 C ATOM 538 CE2 TYR A 38 5.875 5.843 7.684 1.00 0.00 C ATOM 539 CZ TYR A 38 4.818 6.426 7.018 1.00 0.00 C ATOM 540 OH TYR A 38 4.153 7.488 7.587 1.00 0.00 O ATOM 0 H TYR A 38 8.548 1.583 4.215 1.00 0.00 H new ATOM 0 HA TYR A 38 7.036 3.576 3.150 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.169 2.345 4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.560 2.673 5.985 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.783 4.514 4.251 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.370 4.324 7.631 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.595 6.410 5.265 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.181 6.217 8.650 1.00 0.00 H new ATOM 0 HH TYR A 38 4.555 7.698 8.456 1.00 0.00 H new ATOM 550 N ARG A 39 9.386 4.858 5.100 1.00 0.00 N ATOM 551 CA ARG A 39 10.118 6.082 5.401 1.00 0.00 C ATOM 552 C ARG A 39 10.462 6.838 4.121 1.00 0.00 C ATOM 553 O ARG A 39 9.931 7.919 3.864 1.00 0.00 O ATOM 554 CB ARG A 39 11.397 5.759 6.175 1.00 0.00 C ATOM 555 CG ARG A 39 11.146 5.080 7.512 1.00 0.00 C ATOM 556 CD ARG A 39 12.341 5.220 8.441 1.00 0.00 C ATOM 557 NE ARG A 39 12.373 6.524 9.098 1.00 0.00 N ATOM 558 CZ ARG A 39 13.337 6.904 9.929 1.00 0.00 C ATOM 559 NH1 ARG A 39 14.343 6.085 10.203 1.00 0.00 N ATOM 560 NH2 ARG A 39 13.297 8.107 10.488 1.00 0.00 N ATOM 0 H ARG A 39 9.707 4.038 5.614 1.00 0.00 H new ATOM 0 HA ARG A 39 9.480 6.716 6.016 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.029 5.115 5.563 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.952 6.682 6.344 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.265 5.516 7.983 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.931 4.024 7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.307 4.434 9.196 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.260 5.077 7.873 1.00 0.00 H new ATOM 0 HE ARG A 39 11.614 7.178 8.908 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.378 5.160 9.775 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.082 6.380 10.842 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.525 8.741 10.280 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.038 8.398 11.126 1.00 0.00 H new ATOM 574 N LYS A 40 11.354 6.263 3.322 1.00 0.00 N ATOM 575 CA LYS A 40 11.770 6.881 2.069 1.00 0.00 C ATOM 576 C LYS A 40 10.560 7.239 1.212 1.00 0.00 C ATOM 577 O LYS A 40 10.513 8.309 0.603 1.00 0.00 O ATOM 578 CB LYS A 40 12.696 5.940 1.295 1.00 0.00 C ATOM 579 CG LYS A 40 12.105 4.560 1.064 1.00 0.00 C ATOM 580 CD LYS A 40 12.978 3.727 0.140 1.00 0.00 C ATOM 581 CE LYS A 40 12.164 2.674 -0.597 1.00 0.00 C ATOM 582 NZ LYS A 40 12.954 2.015 -1.673 1.00 0.00 N ATOM 0 H LYS A 40 11.803 5.369 3.520 1.00 0.00 H new ATOM 0 HA LYS A 40 12.310 7.798 2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.935 6.390 0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.634 5.838 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.992 4.047 2.019 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.108 4.657 0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.471 4.378 -0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.763 3.242 0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.817 1.922 0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.277 3.137 -1.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.364 1.304 -2.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.264 2.729 -2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.787 1.551 -1.258 1.00 0.00 H new ATOM 596 N LEU A 41 9.584 6.340 1.169 1.00 0.00 N ATOM 597 CA LEU A 41 8.372 6.562 0.387 1.00 0.00 C ATOM 598 C LEU A 41 7.527 7.676 0.997 1.00 0.00 C ATOM 599 O LEU A 41 6.698 8.281 0.319 1.00 0.00 O ATOM 600 CB LEU A 41 7.553 5.273 0.302 1.00 0.00 C ATOM 601 CG LEU A 41 8.278 4.054 -0.270 1.00 0.00 C ATOM 602 CD1 LEU A 41 7.562 2.772 0.128 1.00 0.00 C ATOM 603 CD2 LEU A 41 8.385 4.159 -1.784 1.00 0.00 C ATOM 0 H LEU A 41 9.607 5.450 1.666 1.00 0.00 H new ATOM 0 HA LEU A 41 8.668 6.864 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.199 5.024 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.671 5.466 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 41 9.286 4.027 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.092 1.915 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.538 2.691 1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.543 2.790 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.904 3.283 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.386 4.211 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.942 5.058 -2.048 1.00 0.00 H new ATOM 615 N ALA A 42 7.746 7.941 2.281 1.00 0.00 N ATOM 616 CA ALA A 42 7.007 8.985 2.982 1.00 0.00 C ATOM 617 C ALA A 42 7.720 10.329 2.874 1.00 0.00 C ATOM 618 O ALA A 42 7.084 11.383 2.886 1.00 0.00 O ATOM 619 CB ALA A 42 6.813 8.604 4.442 1.00 0.00 C ATOM 0 H ALA A 42 8.428 7.448 2.857 1.00 0.00 H new ATOM 0 HA ALA A 42 6.029 9.083 2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.260 9.392 4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.254 7.670 4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.786 8.476 4.917 1.00 0.00 H new ATOM 625 N LEU A 43 9.044 10.284 2.768 1.00 0.00 N ATOM 626 CA LEU A 43 9.844 11.499 2.658 1.00 0.00 C ATOM 627 C LEU A 43 9.756 12.083 1.252 1.00 0.00 C ATOM 628 O LEU A 43 9.893 13.292 1.061 1.00 0.00 O ATOM 629 CB LEU A 43 11.303 11.205 3.011 1.00 0.00 C ATOM 630 CG LEU A 43 11.593 10.916 4.484 1.00 0.00 C ATOM 631 CD1 LEU A 43 13.034 11.262 4.823 1.00 0.00 C ATOM 632 CD2 LEU A 43 10.633 11.689 5.378 1.00 0.00 C ATOM 0 H LEU A 43 9.586 9.420 2.756 1.00 0.00 H new ATOM 0 HA LEU A 43 9.447 12.232 3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.633 10.349 2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.909 12.057 2.703 1.00 0.00 H new ATOM 0 HG LEU A 43 11.446 9.851 4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.221 11.050 5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.706 10.665 4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.209 12.320 4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.854 11.471 6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.749 12.758 5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.608 11.392 5.154 1.00 0.00 H new ATOM 644 N LYS A 44 9.526 11.218 0.271 1.00 0.00 N ATOM 645 CA LYS A 44 9.416 11.648 -1.118 1.00 0.00 C ATOM 646 C LYS A 44 7.991 12.085 -1.442 1.00 0.00 C ATOM 647 O LYS A 44 7.779 13.092 -2.118 1.00 0.00 O ATOM 648 CB LYS A 44 9.840 10.517 -2.058 1.00 0.00 C ATOM 649 CG LYS A 44 8.841 9.374 -2.124 1.00 0.00 C ATOM 650 CD LYS A 44 9.342 8.247 -3.012 1.00 0.00 C ATOM 651 CE LYS A 44 9.138 8.565 -4.485 1.00 0.00 C ATOM 652 NZ LYS A 44 10.279 9.339 -5.048 1.00 0.00 N ATOM 0 H LYS A 44 9.412 10.214 0.412 1.00 0.00 H new ATOM 0 HA LYS A 44 10.080 12.501 -1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.982 10.922 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.804 10.127 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.656 8.993 -1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.889 9.743 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.401 8.074 -2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.818 7.325 -2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.018 7.637 -5.044 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.217 9.134 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.941 10.267 -5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.003 9.473 -4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.690 8.818 -5.849 1.00 0.00 H new ATOM 666 N TYR A 45 7.019 11.322 -0.954 1.00 0.00 N ATOM 667 CA TYR A 45 5.614 11.631 -1.192 1.00 0.00 C ATOM 668 C TYR A 45 5.021 12.411 -0.022 1.00 0.00 C ATOM 669 O TYR A 45 3.803 12.544 0.097 1.00 0.00 O ATOM 670 CB TYR A 45 4.818 10.344 -1.417 1.00 0.00 C ATOM 671 CG TYR A 45 5.186 9.620 -2.692 1.00 0.00 C ATOM 672 CD1 TYR A 45 4.992 10.214 -3.933 1.00 0.00 C ATOM 673 CD2 TYR A 45 5.729 8.341 -2.656 1.00 0.00 C ATOM 674 CE1 TYR A 45 5.326 9.555 -5.101 1.00 0.00 C ATOM 675 CE2 TYR A 45 6.068 7.676 -3.819 1.00 0.00 C ATOM 676 CZ TYR A 45 5.864 8.287 -5.038 1.00 0.00 C ATOM 677 OH TYR A 45 6.199 7.628 -6.199 1.00 0.00 O ATOM 0 H TYR A 45 7.178 10.486 -0.392 1.00 0.00 H new ATOM 0 HA TYR A 45 5.551 12.250 -2.087 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.977 9.676 -0.571 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.755 10.583 -1.439 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.573 11.208 -3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.889 7.859 -1.703 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.167 10.030 -6.058 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.490 6.683 -3.773 1.00 0.00 H new ATOM 0 HH TYR A 45 6.566 6.746 -5.980 1.00 0.00 H new ATOM 687 N HIS A 46 5.893 12.925 0.840 1.00 0.00 N ATOM 688 CA HIS A 46 5.457 13.693 2.001 1.00 0.00 C ATOM 689 C HIS A 46 4.380 14.700 1.612 1.00 0.00 C ATOM 690 O HIS A 46 4.434 15.327 0.554 1.00 0.00 O ATOM 691 CB HIS A 46 6.645 14.418 2.634 1.00 0.00 C ATOM 692 CG HIS A 46 6.510 14.612 4.113 1.00 0.00 C ATOM 693 ND1 HIS A 46 5.937 15.733 4.675 1.00 0.00 N ATOM 694 CD2 HIS A 46 6.875 13.819 5.147 1.00 0.00 C ATOM 695 CE1 HIS A 46 5.957 15.622 5.991 1.00 0.00 C ATOM 696 NE2 HIS A 46 6.521 14.469 6.303 1.00 0.00 N ATOM 0 H HIS A 46 6.905 12.824 0.757 1.00 0.00 H new ATOM 0 HA HIS A 46 5.035 12.999 2.728 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.555 13.853 2.432 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.762 15.391 2.157 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.355 12.854 5.076 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.577 16.350 6.692 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.669 14.119 7.249 1.00 0.00 H new ATOM 704 N PRO A 47 3.376 14.861 2.487 1.00 0.00 N ATOM 705 CA PRO A 47 2.266 15.790 2.257 1.00 0.00 C ATOM 706 C PRO A 47 2.704 17.248 2.344 1.00 0.00 C ATOM 707 O PRO A 47 2.143 18.116 1.675 1.00 0.00 O ATOM 708 CB PRO A 47 1.286 15.459 3.385 1.00 0.00 C ATOM 709 CG PRO A 47 2.132 14.878 4.465 1.00 0.00 C ATOM 710 CD PRO A 47 3.246 14.146 3.768 1.00 0.00 C ATOM 0 HA PRO A 47 1.842 15.679 1.259 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.763 16.351 3.729 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.526 14.751 3.054 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.525 15.659 5.116 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.553 14.201 5.093 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.171 14.181 4.343 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.003 13.094 3.618 1.00 0.00 H new ATOM 718 N ASP A 48 3.710 17.511 3.171 1.00 0.00 N ATOM 719 CA ASP A 48 4.225 18.864 3.344 1.00 0.00 C ATOM 720 C ASP A 48 5.080 19.277 2.150 1.00 0.00 C ATOM 721 O ASP A 48 5.061 20.434 1.729 1.00 0.00 O ATOM 722 CB ASP A 48 5.044 18.960 4.632 1.00 0.00 C ATOM 723 CG ASP A 48 5.414 20.390 4.977 1.00 0.00 C ATOM 724 OD1 ASP A 48 4.549 21.278 4.833 1.00 0.00 O ATOM 725 OD2 ASP A 48 6.569 20.619 5.393 1.00 0.00 O ATOM 0 H ASP A 48 4.185 16.804 3.732 1.00 0.00 H new ATOM 0 HA ASP A 48 3.376 19.544 3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.475 18.526 5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.953 18.368 4.526 1.00 0.00 H new ATOM 730 N LYS A 49 5.830 18.324 1.609 1.00 0.00 N ATOM 731 CA LYS A 49 6.693 18.587 0.463 1.00 0.00 C ATOM 732 C LYS A 49 5.866 18.890 -0.782 1.00 0.00 C ATOM 733 O LYS A 49 6.261 19.701 -1.619 1.00 0.00 O ATOM 734 CB LYS A 49 7.607 17.388 0.201 1.00 0.00 C ATOM 735 CG LYS A 49 8.516 17.049 1.370 1.00 0.00 C ATOM 736 CD LYS A 49 9.830 17.807 1.293 1.00 0.00 C ATOM 737 CE LYS A 49 9.665 19.255 1.729 1.00 0.00 C ATOM 738 NZ LYS A 49 10.940 19.829 2.240 1.00 0.00 N ATOM 0 H LYS A 49 5.858 17.362 1.946 1.00 0.00 H new ATOM 0 HA LYS A 49 7.305 19.459 0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.993 16.519 -0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.219 17.594 -0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.011 17.289 2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.713 15.977 1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.571 17.318 1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.211 17.774 0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.311 19.850 0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.902 19.316 2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.786 20.817 2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.265 19.277 3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.661 19.795 1.491 1.00 0.00 H new ATOM 752 N ASN A 50 4.716 18.235 -0.898 1.00 0.00 N ATOM 753 CA ASN A 50 3.833 18.436 -2.041 1.00 0.00 C ATOM 754 C ASN A 50 2.558 19.162 -1.622 1.00 0.00 C ATOM 755 O ASN A 50 1.507 18.555 -1.416 1.00 0.00 O ATOM 756 CB ASN A 50 3.480 17.092 -2.682 1.00 0.00 C ATOM 757 CG ASN A 50 4.710 16.276 -3.028 1.00 0.00 C ATOM 758 OD1 ASN A 50 4.976 15.998 -4.198 1.00 0.00 O ATOM 759 ND2 ASN A 50 5.469 15.888 -2.009 1.00 0.00 N ATOM 0 H ASN A 50 4.373 17.560 -0.214 1.00 0.00 H new ATOM 0 HA ASN A 50 4.359 19.052 -2.770 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.849 16.522 -2.000 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.896 17.266 -3.586 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.310 15.337 -2.180 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.211 16.141 -1.055 1.00 0.00 H new ATOM 766 N PRO A 51 2.651 20.494 -1.494 1.00 0.00 N ATOM 767 CA PRO A 51 1.515 21.333 -1.100 1.00 0.00 C ATOM 768 C PRO A 51 0.450 21.414 -2.189 1.00 0.00 C ATOM 769 O PRO A 51 0.743 21.758 -3.333 1.00 0.00 O ATOM 770 CB PRO A 51 2.151 22.706 -0.871 1.00 0.00 C ATOM 771 CG PRO A 51 3.375 22.703 -1.720 1.00 0.00 C ATOM 772 CD PRO A 51 3.872 21.284 -1.724 1.00 0.00 C ATOM 0 HA PRO A 51 0.999 20.936 -0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.472 23.509 -1.158 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.398 22.857 0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.149 23.040 -2.732 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.130 23.380 -1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.345 21.026 -2.672 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.613 21.116 -0.942 1.00 0.00 H new ATOM 780 N ASP A 52 -0.787 21.095 -1.824 1.00 0.00 N ATOM 781 CA ASP A 52 -1.897 21.133 -2.769 1.00 0.00 C ATOM 782 C ASP A 52 -1.547 20.380 -4.048 1.00 0.00 C ATOM 783 O ASP A 52 -1.752 20.883 -5.152 1.00 0.00 O ATOM 784 CB ASP A 52 -2.265 22.581 -3.099 1.00 0.00 C ATOM 785 CG ASP A 52 -2.799 23.331 -1.895 1.00 0.00 C ATOM 786 OD1 ASP A 52 -3.760 22.839 -1.268 1.00 0.00 O ATOM 787 OD2 ASP A 52 -2.256 24.411 -1.579 1.00 0.00 O ATOM 0 H ASP A 52 -1.046 20.807 -0.880 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.754 20.646 -2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.386 23.097 -3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.014 22.591 -3.891 1.00 0.00 H new ATOM 792 N ASN A 53 -1.018 19.171 -3.891 1.00 0.00 N ATOM 793 CA ASN A 53 -0.638 18.349 -5.034 1.00 0.00 C ATOM 794 C ASN A 53 -1.386 17.019 -5.021 1.00 0.00 C ATOM 795 O ASN A 53 -1.259 16.216 -4.096 1.00 0.00 O ATOM 796 CB ASN A 53 0.871 18.098 -5.029 1.00 0.00 C ATOM 797 CG ASN A 53 1.426 17.878 -6.424 1.00 0.00 C ATOM 798 OD1 ASN A 53 0.801 18.250 -7.418 1.00 0.00 O ATOM 799 ND2 ASN A 53 2.604 17.271 -6.503 1.00 0.00 N ATOM 0 H ASN A 53 -0.843 18.739 -2.984 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.907 18.888 -5.942 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.376 18.948 -4.570 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.089 17.226 -4.412 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.027 17.096 -7.414 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.086 16.980 -5.652 1.00 0.00 H new ATOM 806 N PRO A 54 -2.185 16.779 -6.071 1.00 0.00 N ATOM 807 CA PRO A 54 -2.968 15.547 -6.204 1.00 0.00 C ATOM 808 C PRO A 54 -2.091 14.328 -6.468 1.00 0.00 C ATOM 809 O PRO A 54 -2.344 13.245 -5.941 1.00 0.00 O ATOM 810 CB PRO A 54 -3.869 15.828 -7.409 1.00 0.00 C ATOM 811 CG PRO A 54 -3.129 16.846 -8.206 1.00 0.00 C ATOM 812 CD PRO A 54 -2.384 17.691 -7.210 1.00 0.00 C ATOM 0 HA PRO A 54 -3.515 15.311 -5.291 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.047 14.923 -7.990 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.844 16.202 -7.096 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.442 16.370 -8.905 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.815 17.453 -8.797 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.435 18.044 -7.613 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.956 18.573 -6.923 1.00 0.00 H new ATOM 820 N GLU A 55 -1.059 14.512 -7.285 1.00 0.00 N ATOM 821 CA GLU A 55 -0.145 13.426 -7.618 1.00 0.00 C ATOM 822 C GLU A 55 0.501 12.853 -6.359 1.00 0.00 C ATOM 823 O GLU A 55 0.750 11.652 -6.268 1.00 0.00 O ATOM 824 CB GLU A 55 0.937 13.917 -8.582 1.00 0.00 C ATOM 825 CG GLU A 55 1.902 14.911 -7.957 1.00 0.00 C ATOM 826 CD GLU A 55 2.848 15.523 -8.973 1.00 0.00 C ATOM 827 OE1 GLU A 55 2.492 16.566 -9.561 1.00 0.00 O ATOM 828 OE2 GLU A 55 3.943 14.959 -9.179 1.00 0.00 O ATOM 0 H GLU A 55 -0.835 15.403 -7.728 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.720 12.637 -8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.500 13.059 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.460 14.380 -9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.335 15.704 -7.469 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.482 14.410 -7.181 1.00 0.00 H new ATOM 835 N ALA A 56 0.770 13.724 -5.391 1.00 0.00 N ATOM 836 CA ALA A 56 1.385 13.306 -4.138 1.00 0.00 C ATOM 837 C ALA A 56 0.389 12.555 -3.261 1.00 0.00 C ATOM 838 O ALA A 56 0.731 11.553 -2.634 1.00 0.00 O ATOM 839 CB ALA A 56 1.942 14.511 -3.395 1.00 0.00 C ATOM 0 H ALA A 56 0.571 14.723 -5.451 1.00 0.00 H new ATOM 0 HA ALA A 56 2.205 12.628 -4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.398 14.183 -2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.693 15.004 -4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.134 15.210 -3.179 1.00 0.00 H new ATOM 845 N ALA A 57 -0.845 13.048 -3.220 1.00 0.00 N ATOM 846 CA ALA A 57 -1.891 12.423 -2.420 1.00 0.00 C ATOM 847 C ALA A 57 -2.278 11.062 -2.989 1.00 0.00 C ATOM 848 O ALA A 57 -2.382 10.079 -2.256 1.00 0.00 O ATOM 849 CB ALA A 57 -3.110 13.331 -2.344 1.00 0.00 C ATOM 0 H ALA A 57 -1.144 13.878 -3.731 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.502 12.270 -1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.884 12.852 -1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.829 14.279 -1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.491 13.513 -3.349 1.00 0.00 H new ATOM 855 N ASP A 58 -2.491 11.013 -4.299 1.00 0.00 N ATOM 856 CA ASP A 58 -2.866 9.772 -4.967 1.00 0.00 C ATOM 857 C ASP A 58 -2.001 8.612 -4.483 1.00 0.00 C ATOM 858 O ASP A 58 -2.508 7.537 -4.162 1.00 0.00 O ATOM 859 CB ASP A 58 -2.736 9.923 -6.483 1.00 0.00 C ATOM 860 CG ASP A 58 -3.106 8.655 -7.226 1.00 0.00 C ATOM 861 OD1 ASP A 58 -2.411 7.634 -7.040 1.00 0.00 O ATOM 862 OD2 ASP A 58 -4.090 8.682 -7.994 1.00 0.00 O ATOM 0 H ASP A 58 -2.410 11.818 -4.920 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.905 9.555 -4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.377 10.738 -6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.711 10.200 -6.731 1.00 0.00 H new ATOM 867 N LYS A 59 -0.693 8.836 -4.435 1.00 0.00 N ATOM 868 CA LYS A 59 0.244 7.811 -3.990 1.00 0.00 C ATOM 869 C LYS A 59 0.299 7.747 -2.467 1.00 0.00 C ATOM 870 O LYS A 59 0.066 6.696 -1.871 1.00 0.00 O ATOM 871 CB LYS A 59 1.641 8.090 -4.550 1.00 0.00 C ATOM 872 CG LYS A 59 1.827 7.618 -5.982 1.00 0.00 C ATOM 873 CD LYS A 59 2.009 6.112 -6.054 1.00 0.00 C ATOM 874 CE LYS A 59 2.060 5.624 -7.494 1.00 0.00 C ATOM 875 NZ LYS A 59 0.750 5.791 -8.182 1.00 0.00 N ATOM 0 H LYS A 59 -0.257 9.719 -4.699 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.105 6.849 -4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.836 9.161 -4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.382 7.602 -3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.962 7.910 -6.577 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.695 8.111 -6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.929 5.831 -5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.189 5.620 -5.531 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.828 6.174 -8.037 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.348 4.573 -7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.755 5.255 -9.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.012 5.436 -7.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.590 6.798 -8.385 1.00 0.00 H new ATOM 889 N PHE A 60 0.607 8.879 -1.843 1.00 0.00 N ATOM 890 CA PHE A 60 0.692 8.952 -0.389 1.00 0.00 C ATOM 891 C PHE A 60 -0.431 8.150 0.262 1.00 0.00 C ATOM 892 O PHE A 60 -0.185 7.278 1.096 1.00 0.00 O ATOM 893 CB PHE A 60 0.629 10.409 0.075 1.00 0.00 C ATOM 894 CG PHE A 60 1.096 10.609 1.488 1.00 0.00 C ATOM 895 CD1 PHE A 60 2.348 10.170 1.886 1.00 0.00 C ATOM 896 CD2 PHE A 60 0.283 11.236 2.418 1.00 0.00 C ATOM 897 CE1 PHE A 60 2.780 10.352 3.187 1.00 0.00 C ATOM 898 CE2 PHE A 60 0.709 11.422 3.720 1.00 0.00 C ATOM 899 CZ PHE A 60 1.960 10.980 4.104 1.00 0.00 C ATOM 0 H PHE A 60 0.802 9.758 -2.321 1.00 0.00 H new ATOM 0 HA PHE A 60 1.646 8.522 -0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.238 11.020 -0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.397 10.766 -0.014 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.994 9.680 1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.696 11.584 2.122 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.758 10.003 3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.065 11.912 4.435 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.297 11.125 5.120 1.00 0.00 H new ATOM 909 N LYS A 61 -1.666 8.452 -0.124 1.00 0.00 N ATOM 910 CA LYS A 61 -2.829 7.760 0.419 1.00 0.00 C ATOM 911 C LYS A 61 -2.684 6.250 0.267 1.00 0.00 C ATOM 912 O LYS A 61 -3.159 5.484 1.105 1.00 0.00 O ATOM 913 CB LYS A 61 -4.104 8.235 -0.281 1.00 0.00 C ATOM 914 CG LYS A 61 -4.410 7.480 -1.564 1.00 0.00 C ATOM 915 CD LYS A 61 -5.791 7.823 -2.097 1.00 0.00 C ATOM 916 CE LYS A 61 -5.844 7.722 -3.613 1.00 0.00 C ATOM 917 NZ LYS A 61 -6.852 8.651 -4.196 1.00 0.00 N ATOM 0 H LYS A 61 -1.887 9.172 -0.812 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.897 7.995 1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.946 8.128 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.010 9.297 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.659 7.720 -2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.346 6.408 -1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.528 7.149 -1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.060 8.833 -1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.861 7.947 -4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.084 6.698 -3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.858 8.552 -5.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.794 8.420 -3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.609 9.630 -3.943 1.00 0.00 H new ATOM 931 N GLU A 62 -2.024 5.828 -0.808 1.00 0.00 N ATOM 932 CA GLU A 62 -1.817 4.409 -1.068 1.00 0.00 C ATOM 933 C GLU A 62 -0.712 3.848 -0.178 1.00 0.00 C ATOM 934 O GLU A 62 -0.799 2.715 0.298 1.00 0.00 O ATOM 935 CB GLU A 62 -1.465 4.184 -2.540 1.00 0.00 C ATOM 936 CG GLU A 62 -2.674 3.915 -3.421 1.00 0.00 C ATOM 937 CD GLU A 62 -3.876 4.754 -3.033 1.00 0.00 C ATOM 938 OE1 GLU A 62 -4.599 4.358 -2.095 1.00 0.00 O ATOM 939 OE2 GLU A 62 -4.093 5.807 -3.668 1.00 0.00 O ATOM 0 H GLU A 62 -1.624 6.449 -1.512 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.745 3.885 -0.839 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.939 5.061 -2.917 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.776 3.342 -2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.414 4.118 -4.460 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.937 2.859 -3.358 1.00 0.00 H new ATOM 946 N ILE A 63 0.326 4.648 0.041 1.00 0.00 N ATOM 947 CA ILE A 63 1.448 4.232 0.874 1.00 0.00 C ATOM 948 C ILE A 63 1.011 4.020 2.319 1.00 0.00 C ATOM 949 O ILE A 63 1.083 2.910 2.844 1.00 0.00 O ATOM 950 CB ILE A 63 2.588 5.267 0.841 1.00 0.00 C ATOM 951 CG1 ILE A 63 2.900 5.668 -0.603 1.00 0.00 C ATOM 952 CG2 ILE A 63 3.829 4.710 1.521 1.00 0.00 C ATOM 953 CD1 ILE A 63 4.023 6.674 -0.721 1.00 0.00 C ATOM 0 H ILE A 63 0.414 5.587 -0.347 1.00 0.00 H new ATOM 0 HA ILE A 63 1.812 3.289 0.465 1.00 0.00 H new ATOM 0 HB ILE A 63 2.268 6.156 1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.162 4.775 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.001 6.084 -1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.626 5.453 1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.598 4.469 2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.154 3.808 1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.189 6.912 -1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.756 7.582 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.934 6.254 -0.295 1.00 0.00 H new ATOM 965 N ASN A 64 0.556 5.093 2.957 1.00 0.00 N ATOM 966 CA ASN A 64 0.105 5.025 4.343 1.00 0.00 C ATOM 967 C ASN A 64 -0.632 3.717 4.611 1.00 0.00 C ATOM 968 O ASN A 64 -0.290 2.977 5.533 1.00 0.00 O ATOM 969 CB ASN A 64 -0.806 6.212 4.664 1.00 0.00 C ATOM 970 CG ASN A 64 -0.038 7.514 4.786 1.00 0.00 C ATOM 971 OD1 ASN A 64 0.482 7.843 5.853 1.00 0.00 O ATOM 972 ND2 ASN A 64 0.037 8.262 3.691 1.00 0.00 N ATOM 0 H ASN A 64 0.490 6.020 2.537 1.00 0.00 H new ATOM 0 HA ASN A 64 0.983 5.065 4.987 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.560 6.310 3.883 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.337 6.018 5.596 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.541 9.149 3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.409 7.950 2.829 1.00 0.00 H new ATOM 979 N ASN A 65 -1.647 3.438 3.798 1.00 0.00 N ATOM 980 CA ASN A 65 -2.433 2.219 3.948 1.00 0.00 C ATOM 981 C ASN A 65 -1.581 0.984 3.666 1.00 0.00 C ATOM 982 O ASN A 65 -1.678 -0.022 4.367 1.00 0.00 O ATOM 983 CB ASN A 65 -3.639 2.246 3.006 1.00 0.00 C ATOM 984 CG ASN A 65 -3.330 1.635 1.653 1.00 0.00 C ATOM 985 OD1 ASN A 65 -3.140 2.347 0.667 1.00 0.00 O ATOM 986 ND2 ASN A 65 -3.277 0.309 1.601 1.00 0.00 N ATOM 0 H ASN A 65 -1.944 4.039 3.029 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.786 2.168 4.978 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.467 1.706 3.465 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.967 3.276 2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.072 -0.159 0.718 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.441 -0.241 2.444 1.00 0.00 H new ATOM 993 N ALA A 66 -0.747 1.071 2.635 1.00 0.00 N ATOM 994 CA ALA A 66 0.124 -0.037 2.262 1.00 0.00 C ATOM 995 C ALA A 66 1.174 -0.296 3.337 1.00 0.00 C ATOM 996 O ALA A 66 1.746 -1.385 3.411 1.00 0.00 O ATOM 997 CB ALA A 66 0.793 0.244 0.925 1.00 0.00 C ATOM 0 H ALA A 66 -0.656 1.897 2.043 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.490 -0.933 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.440 -0.592 0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.031 0.371 0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.388 1.154 1.000 1.00 0.00 H new ATOM 1003 N HIS A 67 1.424 0.710 4.169 1.00 0.00 N ATOM 1004 CA HIS A 67 2.406 0.590 5.241 1.00 0.00 C ATOM 1005 C HIS A 67 1.796 -0.091 6.462 1.00 0.00 C ATOM 1006 O HIS A 67 2.390 -1.003 7.037 1.00 0.00 O ATOM 1007 CB HIS A 67 2.942 1.969 5.626 1.00 0.00 C ATOM 1008 CG HIS A 67 3.594 2.004 6.973 1.00 0.00 C ATOM 1009 ND1 HIS A 67 3.055 2.670 8.053 1.00 0.00 N ATOM 1010 CD2 HIS A 67 4.747 1.447 7.414 1.00 0.00 C ATOM 1011 CE1 HIS A 67 3.849 2.524 9.099 1.00 0.00 C ATOM 1012 NE2 HIS A 67 4.882 1.785 8.738 1.00 0.00 N ATOM 0 H HIS A 67 0.960 1.617 4.122 1.00 0.00 H new ATOM 0 HA HIS A 67 3.231 -0.024 4.879 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.662 2.292 4.874 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.121 2.686 5.610 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.433 0.848 6.833 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.682 2.939 10.082 1.00 0.00 H new ATOM 0 HE2 HIS A 67 5.655 1.510 9.344 1.00 0.00 H new ATOM 1020 N ALA A 68 0.609 0.360 6.855 1.00 0.00 N ATOM 1021 CA ALA A 68 -0.080 -0.206 8.007 1.00 0.00 C ATOM 1022 C ALA A 68 -0.475 -1.657 7.752 1.00 0.00 C ATOM 1023 O ALA A 68 -0.027 -2.564 8.454 1.00 0.00 O ATOM 1024 CB ALA A 68 -1.308 0.625 8.348 1.00 0.00 C ATOM 0 H ALA A 68 0.105 1.116 6.392 1.00 0.00 H new ATOM 0 HA ALA A 68 0.605 -0.187 8.855 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.813 0.191 9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.004 1.645 8.582 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.988 0.635 7.496 1.00 0.00 H new ATOM 1030 N ILE A 69 -1.316 -1.868 6.745 1.00 0.00 N ATOM 1031 CA ILE A 69 -1.770 -3.209 6.399 1.00 0.00 C ATOM 1032 C ILE A 69 -0.598 -4.180 6.309 1.00 0.00 C ATOM 1033 O ILE A 69 -0.667 -5.302 6.813 1.00 0.00 O ATOM 1034 CB ILE A 69 -2.532 -3.217 5.060 1.00 0.00 C ATOM 1035 CG1 ILE A 69 -3.742 -2.284 5.132 1.00 0.00 C ATOM 1036 CG2 ILE A 69 -2.966 -4.631 4.706 1.00 0.00 C ATOM 1037 CD1 ILE A 69 -4.504 -2.180 3.829 1.00 0.00 C ATOM 0 H ILE A 69 -1.696 -1.128 6.155 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.444 -3.529 7.194 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.865 -2.856 4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.417 -2.638 5.911 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.407 -1.290 5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.503 -4.620 3.758 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.087 -5.270 4.618 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.619 -5.018 5.488 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.348 -1.502 3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.844 -1.797 3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.870 -3.166 3.542 1.00 0.00 H new ATOM 1049 N LEU A 70 0.479 -3.742 5.666 1.00 0.00 N ATOM 1050 CA LEU A 70 1.669 -4.572 5.512 1.00 0.00 C ATOM 1051 C LEU A 70 2.343 -4.813 6.859 1.00 0.00 C ATOM 1052 O LEU A 70 2.482 -5.954 7.301 1.00 0.00 O ATOM 1053 CB LEU A 70 2.654 -3.910 4.547 1.00 0.00 C ATOM 1054 CG LEU A 70 2.315 -4.022 3.060 1.00 0.00 C ATOM 1055 CD1 LEU A 70 3.410 -3.391 2.214 1.00 0.00 C ATOM 1056 CD2 LEU A 70 2.108 -5.478 2.668 1.00 0.00 C ATOM 0 H LEU A 70 0.553 -2.817 5.243 1.00 0.00 H new ATOM 0 HA LEU A 70 1.361 -5.535 5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.728 -2.853 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.639 -4.347 4.708 1.00 0.00 H new ATOM 0 HG LEU A 70 1.386 -3.482 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.152 -3.480 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.510 -2.338 2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.354 -3.902 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.868 -5.538 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.020 -6.041 2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.288 -5.899 3.250 1.00 0.00 H new ATOM 1068 N THR A 71 2.759 -3.731 7.509 1.00 0.00 N ATOM 1069 CA THR A 71 3.417 -3.824 8.806 1.00 0.00 C ATOM 1070 C THR A 71 2.665 -4.767 9.738 1.00 0.00 C ATOM 1071 O THR A 71 3.273 -5.525 10.493 1.00 0.00 O ATOM 1072 CB THR A 71 3.535 -2.442 9.477 1.00 0.00 C ATOM 1073 OG1 THR A 71 2.284 -1.751 9.397 1.00 0.00 O ATOM 1074 CG2 THR A 71 4.623 -1.611 8.816 1.00 0.00 C ATOM 0 H THR A 71 2.652 -2.779 7.158 1.00 0.00 H new ATOM 0 HA THR A 71 4.417 -4.218 8.625 1.00 0.00 H new ATOM 0 HB THR A 71 3.800 -2.592 10.524 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.284 -1.164 8.612 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.688 -0.640 9.307 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.579 -2.127 8.905 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.383 -1.470 7.762 1.00 0.00 H new ATOM 1082 N ASP A 72 1.339 -4.714 9.680 1.00 0.00 N ATOM 1083 CA ASP A 72 0.502 -5.566 10.518 1.00 0.00 C ATOM 1084 C ASP A 72 0.475 -6.995 9.985 1.00 0.00 C ATOM 1085 O ASP A 72 0.016 -7.243 8.870 1.00 0.00 O ATOM 1086 CB ASP A 72 -0.920 -5.008 10.590 1.00 0.00 C ATOM 1087 CG ASP A 72 -1.095 -4.013 11.721 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -0.794 -2.819 11.512 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -1.532 -4.428 12.815 1.00 0.00 O ATOM 0 H ASP A 72 0.820 -4.090 9.062 1.00 0.00 H new ATOM 0 HA ASP A 72 0.930 -5.580 11.521 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.166 -4.525 9.644 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.624 -5.830 10.721 1.00 0.00 H new ATOM 1094 N ALA A 73 0.970 -7.930 10.788 1.00 0.00 N ATOM 1095 CA ALA A 73 1.002 -9.334 10.397 1.00 0.00 C ATOM 1096 C ALA A 73 -0.403 -9.857 10.116 1.00 0.00 C ATOM 1097 O ALA A 73 -0.680 -10.372 9.032 1.00 0.00 O ATOM 1098 CB ALA A 73 1.671 -10.168 11.480 1.00 0.00 C ATOM 0 H ALA A 73 1.355 -7.741 11.714 1.00 0.00 H new ATOM 0 HA ALA A 73 1.583 -9.417 9.479 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.688 -11.214 11.175 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.692 -9.817 11.631 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.113 -10.071 12.411 1.00 0.00 H new ATOM 1104 N THR A 74 -1.287 -9.722 11.099 1.00 0.00 N ATOM 1105 CA THR A 74 -2.663 -10.183 10.958 1.00 0.00 C ATOM 1106 C THR A 74 -3.305 -9.620 9.695 1.00 0.00 C ATOM 1107 O THR A 74 -4.179 -10.248 9.097 1.00 0.00 O ATOM 1108 CB THR A 74 -3.517 -9.784 12.176 1.00 0.00 C ATOM 1109 OG1 THR A 74 -2.856 -10.172 13.386 1.00 0.00 O ATOM 1110 CG2 THR A 74 -4.890 -10.435 12.111 1.00 0.00 C ATOM 0 H THR A 74 -1.075 -9.297 12.002 1.00 0.00 H new ATOM 0 HA THR A 74 -2.626 -11.270 10.890 1.00 0.00 H new ATOM 0 HB THR A 74 -3.645 -8.702 12.163 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.404 -9.913 14.156 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.475 -10.138 12.982 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.402 -10.115 11.204 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.778 -11.519 12.101 1.00 0.00 H new ATOM 1118 N LYS A 75 -2.865 -8.432 9.293 1.00 0.00 N ATOM 1119 CA LYS A 75 -3.395 -7.784 8.099 1.00 0.00 C ATOM 1120 C LYS A 75 -2.893 -8.477 6.836 1.00 0.00 C ATOM 1121 O LYS A 75 -3.684 -8.884 5.985 1.00 0.00 O ATOM 1122 CB LYS A 75 -2.995 -6.307 8.076 1.00 0.00 C ATOM 1123 CG LYS A 75 -3.834 -5.436 8.995 1.00 0.00 C ATOM 1124 CD LYS A 75 -5.249 -5.270 8.468 1.00 0.00 C ATOM 1125 CE LYS A 75 -5.904 -4.011 9.015 1.00 0.00 C ATOM 1126 NZ LYS A 75 -7.210 -3.733 8.355 1.00 0.00 N ATOM 0 H LYS A 75 -2.143 -7.899 9.777 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.482 -7.860 8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.947 -6.218 8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.080 -5.932 7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.865 -5.880 9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.366 -4.457 9.097 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.230 -5.228 7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.845 -6.140 8.743 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.055 -4.118 10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.236 -3.162 8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.632 -2.877 8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.060 -3.589 7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.851 -4.539 8.500 1.00 0.00 H new ATOM 1140 N ARG A 76 -1.576 -8.608 6.722 1.00 0.00 N ATOM 1141 CA ARG A 76 -0.970 -9.252 5.563 1.00 0.00 C ATOM 1142 C ARG A 76 -1.584 -10.629 5.323 1.00 0.00 C ATOM 1143 O ARG A 76 -1.587 -11.130 4.199 1.00 0.00 O ATOM 1144 CB ARG A 76 0.542 -9.384 5.758 1.00 0.00 C ATOM 1145 CG ARG A 76 1.325 -8.171 5.283 1.00 0.00 C ATOM 1146 CD ARG A 76 2.724 -8.554 4.827 1.00 0.00 C ATOM 1147 NE ARG A 76 3.487 -9.204 5.889 1.00 0.00 N ATOM 1148 CZ ARG A 76 4.715 -9.682 5.725 1.00 0.00 C ATOM 1149 NH1 ARG A 76 5.317 -9.582 4.547 1.00 0.00 N ATOM 1150 NH2 ARG A 76 5.345 -10.260 6.739 1.00 0.00 N ATOM 0 H ARG A 76 -0.908 -8.277 7.418 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.164 -8.629 4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.750 -9.549 6.815 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.893 -10.266 5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.792 -7.691 4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.391 -7.441 6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.655 -9.223 3.969 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.254 -7.661 4.494 1.00 0.00 H new ATOM 0 HE ARG A 76 3.053 -9.296 6.807 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.837 -9.137 3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.260 -9.950 4.423 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.886 -10.338 7.647 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.288 -10.627 6.611 1.00 0.00 H new ATOM 1164 N ASN A 77 -2.102 -11.233 6.387 1.00 0.00 N ATOM 1165 CA ASN A 77 -2.718 -12.552 6.292 1.00 0.00 C ATOM 1166 C ASN A 77 -4.128 -12.454 5.716 1.00 0.00 C ATOM 1167 O ASN A 77 -4.545 -13.297 4.921 1.00 0.00 O ATOM 1168 CB ASN A 77 -2.762 -13.217 7.669 1.00 0.00 C ATOM 1169 CG ASN A 77 -1.571 -14.123 7.911 1.00 0.00 C ATOM 1170 OD1 ASN A 77 -0.714 -14.287 7.043 1.00 0.00 O ATOM 1171 ND2 ASN A 77 -1.511 -14.717 9.098 1.00 0.00 N ATOM 0 H ASN A 77 -2.108 -10.831 7.324 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.113 -13.161 5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.792 -12.447 8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.681 -13.797 7.760 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.732 -15.337 9.319 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -2.244 -14.553 9.788 1.00 0.00 H new ATOM 1178 N ILE A 78 -4.856 -11.420 6.124 1.00 0.00 N ATOM 1179 CA ILE A 78 -6.218 -11.211 5.647 1.00 0.00 C ATOM 1180 C ILE A 78 -6.229 -10.773 4.187 1.00 0.00 C ATOM 1181 O ILE A 78 -7.085 -11.193 3.408 1.00 0.00 O ATOM 1182 CB ILE A 78 -6.954 -10.155 6.493 1.00 0.00 C ATOM 1183 CG1 ILE A 78 -7.071 -10.624 7.945 1.00 0.00 C ATOM 1184 CG2 ILE A 78 -8.331 -9.874 5.909 1.00 0.00 C ATOM 1185 CD1 ILE A 78 -7.493 -9.531 8.901 1.00 0.00 C ATOM 0 H ILE A 78 -4.526 -10.715 6.783 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.735 -12.166 5.741 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.377 -9.230 6.475 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.792 -11.440 7.998 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.110 -11.026 8.267 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.839 -9.126 6.518 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.225 -9.502 4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.917 -10.793 5.900 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.555 -9.935 9.911 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.760 -8.724 8.878 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.468 -9.144 8.604 1.00 0.00 H new ATOM 1197 N TYR A 79 -5.271 -9.928 3.821 1.00 0.00 N ATOM 1198 CA TYR A 79 -5.170 -9.432 2.454 1.00 0.00 C ATOM 1199 C TYR A 79 -4.725 -10.540 1.504 1.00 0.00 C ATOM 1200 O TYR A 79 -5.180 -10.616 0.363 1.00 0.00 O ATOM 1201 CB TYR A 79 -4.188 -8.261 2.385 1.00 0.00 C ATOM 1202 CG TYR A 79 -4.205 -7.535 1.059 1.00 0.00 C ATOM 1203 CD1 TYR A 79 -5.377 -6.974 0.566 1.00 0.00 C ATOM 1204 CD2 TYR A 79 -3.049 -7.409 0.299 1.00 0.00 C ATOM 1205 CE1 TYR A 79 -5.397 -6.310 -0.645 1.00 0.00 C ATOM 1206 CE2 TYR A 79 -3.059 -6.746 -0.913 1.00 0.00 C ATOM 1207 CZ TYR A 79 -4.235 -6.198 -1.381 1.00 0.00 C ATOM 1208 OH TYR A 79 -4.250 -5.538 -2.588 1.00 0.00 O ATOM 0 H TYR A 79 -4.553 -9.572 4.453 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.157 -9.088 2.145 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.423 -7.553 3.180 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.180 -8.631 2.574 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.288 -7.059 1.140 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.126 -7.837 0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.317 -5.881 -1.014 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.151 -6.657 -1.491 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.351 -5.548 -2.977 1.00 0.00 H new ATOM 1218 N ASP A 80 -3.831 -11.398 1.985 1.00 0.00 N ATOM 1219 CA ASP A 80 -3.324 -12.504 1.181 1.00 0.00 C ATOM 1220 C ASP A 80 -4.362 -13.617 1.071 1.00 0.00 C ATOM 1221 O ASP A 80 -4.516 -14.236 0.018 1.00 0.00 O ATOM 1222 CB ASP A 80 -2.032 -13.053 1.788 1.00 0.00 C ATOM 1223 CG ASP A 80 -1.126 -13.682 0.748 1.00 0.00 C ATOM 1224 OD1 ASP A 80 -0.792 -12.997 -0.241 1.00 0.00 O ATOM 1225 OD2 ASP A 80 -0.752 -14.861 0.922 1.00 0.00 O ATOM 0 H ASP A 80 -3.443 -11.349 2.927 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.115 -12.127 0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.498 -12.246 2.290 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.277 -13.795 2.548 1.00 0.00 H new ATOM 1230 N LYS A 81 -5.072 -13.867 2.166 1.00 0.00 N ATOM 1231 CA LYS A 81 -6.096 -14.904 2.195 1.00 0.00 C ATOM 1232 C LYS A 81 -7.385 -14.414 1.544 1.00 0.00 C ATOM 1233 O LYS A 81 -7.868 -15.005 0.577 1.00 0.00 O ATOM 1234 CB LYS A 81 -6.372 -15.338 3.636 1.00 0.00 C ATOM 1235 CG LYS A 81 -6.849 -16.775 3.758 1.00 0.00 C ATOM 1236 CD LYS A 81 -7.410 -17.060 5.141 1.00 0.00 C ATOM 1237 CE LYS A 81 -8.087 -18.421 5.198 1.00 0.00 C ATOM 1238 NZ LYS A 81 -8.100 -18.977 6.579 1.00 0.00 N ATOM 0 H LYS A 81 -4.957 -13.365 3.046 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.727 -15.760 1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.463 -15.215 4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.123 -14.677 4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.614 -16.971 3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.020 -17.453 3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.606 -17.021 5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.127 -16.284 5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.110 -18.333 4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.569 -19.112 4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.570 -19.905 6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.123 -19.085 6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.616 -18.330 7.209 1.00 0.00 H new ATOM 1252 N TYR A 82 -7.938 -13.331 2.079 1.00 0.00 N ATOM 1253 CA TYR A 82 -9.172 -12.763 1.550 1.00 0.00 C ATOM 1254 C TYR A 82 -8.875 -11.697 0.500 1.00 0.00 C ATOM 1255 O TYR A 82 -9.142 -11.887 -0.686 1.00 0.00 O ATOM 1256 CB TYR A 82 -10.006 -12.160 2.682 1.00 0.00 C ATOM 1257 CG TYR A 82 -10.115 -13.054 3.897 1.00 0.00 C ATOM 1258 CD1 TYR A 82 -10.127 -14.437 3.766 1.00 0.00 C ATOM 1259 CD2 TYR A 82 -10.207 -12.516 5.174 1.00 0.00 C ATOM 1260 CE1 TYR A 82 -10.227 -15.258 4.872 1.00 0.00 C ATOM 1261 CE2 TYR A 82 -10.305 -13.329 6.286 1.00 0.00 C ATOM 1262 CZ TYR A 82 -10.315 -14.700 6.130 1.00 0.00 C ATOM 1263 OH TYR A 82 -10.415 -15.513 7.236 1.00 0.00 O ATOM 0 H TYR A 82 -7.551 -12.829 2.878 1.00 0.00 H new ATOM 0 HA TYR A 82 -9.738 -13.566 1.077 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.565 -11.209 2.980 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.007 -11.944 2.309 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.057 -14.878 2.782 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.202 -11.443 5.300 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.236 -16.331 4.752 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.373 -12.894 7.272 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.467 -14.961 8.044 1.00 0.00 H new ATOM 1273 N GLY A 83 -8.318 -10.575 0.945 1.00 0.00 N ATOM 1274 CA GLY A 83 -7.993 -9.495 0.032 1.00 0.00 C ATOM 1275 C GLY A 83 -8.879 -8.281 0.230 1.00 0.00 C ATOM 1276 O GLY A 83 -9.407 -8.061 1.320 1.00 0.00 O ATOM 0 H GLY A 83 -8.086 -10.395 1.922 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.951 -9.207 0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.091 -9.849 -0.994 1.00 0.00 H new ATOM 1280 N SER A 84 -9.041 -7.490 -0.826 1.00 0.00 N ATOM 1281 CA SER A 84 -9.864 -6.288 -0.761 1.00 0.00 C ATOM 1282 C SER A 84 -11.146 -6.549 0.024 1.00 0.00 C ATOM 1283 O SER A 84 -11.644 -5.672 0.732 1.00 0.00 O ATOM 1284 CB SER A 84 -10.207 -5.803 -2.171 1.00 0.00 C ATOM 1285 OG SER A 84 -10.882 -6.808 -2.906 1.00 0.00 O ATOM 0 H SER A 84 -8.613 -7.660 -1.736 1.00 0.00 H new ATOM 0 HA SER A 84 -9.294 -5.515 -0.246 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.831 -4.911 -2.110 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.294 -5.518 -2.693 1.00 0.00 H new ATOM 0 HG SER A 84 -11.091 -6.473 -3.803 1.00 0.00 H new ATOM 1291 N LEU A 85 -11.674 -7.761 -0.105 1.00 0.00 N ATOM 1292 CA LEU A 85 -12.899 -8.140 0.592 1.00 0.00 C ATOM 1293 C LEU A 85 -12.672 -8.192 2.100 1.00 0.00 C ATOM 1294 O LEU A 85 -13.278 -7.433 2.856 1.00 0.00 O ATOM 1295 CB LEU A 85 -13.395 -9.497 0.092 1.00 0.00 C ATOM 1296 CG LEU A 85 -14.900 -9.742 0.196 1.00 0.00 C ATOM 1297 CD1 LEU A 85 -15.323 -9.861 1.652 1.00 0.00 C ATOM 1298 CD2 LEU A 85 -15.671 -8.626 -0.495 1.00 0.00 C ATOM 0 H LEU A 85 -11.274 -8.498 -0.685 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.656 -7.385 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -13.101 -9.607 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.881 -10.278 0.652 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.131 -10.682 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -16.398 -10.035 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -14.797 -10.695 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -15.078 -8.939 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -16.741 -8.817 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -15.434 -7.673 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -15.391 -8.588 -1.548 1.00 0.00 H new ATOM 1310 N GLY A 86 -11.794 -9.093 2.531 1.00 0.00 N ATOM 1311 CA GLY A 86 -11.502 -9.226 3.946 1.00 0.00 C ATOM 1312 C GLY A 86 -11.354 -7.885 4.636 1.00 0.00 C ATOM 1313 O GLY A 86 -12.035 -7.609 5.625 1.00 0.00 O ATOM 0 H GLY A 86 -11.280 -9.733 1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.300 -9.792 4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.584 -9.799 4.072 1.00 0.00 H new ATOM 1317 N LEU A 87 -10.461 -7.050 4.117 1.00 0.00 N ATOM 1318 CA LEU A 87 -10.224 -5.729 4.691 1.00 0.00 C ATOM 1319 C LEU A 87 -11.513 -4.915 4.734 1.00 0.00 C ATOM 1320 O LEU A 87 -11.825 -4.280 5.742 1.00 0.00 O ATOM 1321 CB LEU A 87 -9.163 -4.983 3.881 1.00 0.00 C ATOM 1322 CG LEU A 87 -7.796 -5.661 3.780 1.00 0.00 C ATOM 1323 CD1 LEU A 87 -6.826 -4.791 2.996 1.00 0.00 C ATOM 1324 CD2 LEU A 87 -7.246 -5.962 5.166 1.00 0.00 C ATOM 0 H LEU A 87 -9.889 -7.263 3.300 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.866 -5.862 5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.546 -4.830 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.025 -3.996 4.322 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.918 -6.604 3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.859 -5.289 2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.215 -4.627 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.709 -3.832 3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.273 -6.444 5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.139 -5.032 5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.932 -6.625 5.693 1.00 0.00 H new ATOM 1336 N TYR A 88 -12.259 -4.940 3.635 1.00 0.00 N ATOM 1337 CA TYR A 88 -13.515 -4.204 3.547 1.00 0.00 C ATOM 1338 C TYR A 88 -14.445 -4.573 4.699 1.00 0.00 C ATOM 1339 O TYR A 88 -14.941 -3.703 5.416 1.00 0.00 O ATOM 1340 CB TYR A 88 -14.203 -4.486 2.211 1.00 0.00 C ATOM 1341 CG TYR A 88 -15.697 -4.253 2.238 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -16.223 -3.037 2.654 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -16.582 -5.251 1.847 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -17.588 -2.821 2.681 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -17.948 -5.043 1.869 1.00 0.00 C ATOM 1346 CZ TYR A 88 -18.446 -3.826 2.288 1.00 0.00 C ATOM 1347 OH TYR A 88 -19.805 -3.614 2.312 1.00 0.00 O ATOM 0 H TYR A 88 -12.016 -5.462 2.793 1.00 0.00 H new ATOM 0 HA TYR A 88 -13.288 -3.140 3.614 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -13.759 -3.853 1.443 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -14.010 -5.520 1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -15.554 -2.247 2.962 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -16.196 -6.205 1.520 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.980 -1.870 3.008 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -18.622 -5.828 1.560 1.00 0.00 H new ATOM 0 HH TYR A 88 -20.267 -4.421 2.004 1.00 0.00 H new ATOM 1357 N VAL A 89 -14.677 -5.871 4.871 1.00 0.00 N ATOM 1358 CA VAL A 89 -15.545 -6.357 5.937 1.00 0.00 C ATOM 1359 C VAL A 89 -14.949 -6.063 7.309 1.00 0.00 C ATOM 1360 O VAL A 89 -15.546 -5.352 8.116 1.00 0.00 O ATOM 1361 CB VAL A 89 -15.793 -7.872 5.810 1.00 0.00 C ATOM 1362 CG1 VAL A 89 -16.892 -8.315 6.765 1.00 0.00 C ATOM 1363 CG2 VAL A 89 -16.142 -8.237 4.376 1.00 0.00 C ATOM 0 H VAL A 89 -14.276 -6.604 4.286 1.00 0.00 H new ATOM 0 HA VAL A 89 -16.494 -5.831 5.838 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.876 -8.396 6.080 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -17.053 -9.388 6.661 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -16.596 -8.090 7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.815 -7.785 6.529 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -16.314 -9.311 4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -17.044 -7.705 4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -15.319 -7.957 3.719 1.00 0.00 H new ATOM 1373 N ALA A 90 -13.768 -6.616 7.566 1.00 0.00 N ATOM 1374 CA ALA A 90 -13.090 -6.411 8.839 1.00 0.00 C ATOM 1375 C ALA A 90 -13.154 -4.949 9.266 1.00 0.00 C ATOM 1376 O ALA A 90 -13.580 -4.636 10.378 1.00 0.00 O ATOM 1377 CB ALA A 90 -11.643 -6.873 8.747 1.00 0.00 C ATOM 0 H ALA A 90 -13.261 -7.209 6.909 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.603 -7.006 9.595 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.149 -6.714 9.705 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.615 -7.933 8.496 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.128 -6.303 7.974 1.00 0.00 H new ATOM 1383 N GLU A 91 -12.727 -4.058 8.377 1.00 0.00 N ATOM 1384 CA GLU A 91 -12.735 -2.628 8.664 1.00 0.00 C ATOM 1385 C GLU A 91 -14.088 -2.193 9.221 1.00 0.00 C ATOM 1386 O GLU A 91 -14.170 -1.256 10.014 1.00 0.00 O ATOM 1387 CB GLU A 91 -12.410 -1.830 7.400 1.00 0.00 C ATOM 1388 CG GLU A 91 -11.939 -0.412 7.680 1.00 0.00 C ATOM 1389 CD GLU A 91 -11.919 0.452 6.434 1.00 0.00 C ATOM 1390 OE1 GLU A 91 -13.009 0.835 5.961 1.00 0.00 O ATOM 1391 OE2 GLU A 91 -10.814 0.745 5.933 1.00 0.00 O ATOM 0 H GLU A 91 -12.371 -4.301 7.452 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.971 -2.429 9.416 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.639 -2.356 6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.296 -1.791 6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.593 0.044 8.423 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.939 -0.444 8.112 1.00 0.00 H new ATOM 1398 N GLN A 92 -15.144 -2.879 8.797 1.00 0.00 N ATOM 1399 CA GLN A 92 -16.492 -2.563 9.252 1.00 0.00 C ATOM 1400 C GLN A 92 -16.808 -3.279 10.561 1.00 0.00 C ATOM 1401 O GLN A 92 -17.165 -2.647 11.555 1.00 0.00 O ATOM 1402 CB GLN A 92 -17.517 -2.951 8.185 1.00 0.00 C ATOM 1403 CG GLN A 92 -17.416 -2.123 6.914 1.00 0.00 C ATOM 1404 CD GLN A 92 -18.732 -2.037 6.166 1.00 0.00 C ATOM 1405 OE1 GLN A 92 -19.734 -2.620 6.581 1.00 0.00 O ATOM 1406 NE2 GLN A 92 -18.736 -1.307 5.057 1.00 0.00 N ATOM 0 H GLN A 92 -15.092 -3.657 8.139 1.00 0.00 H new ATOM 0 HA GLN A 92 -16.546 -1.488 9.425 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -17.387 -4.004 7.934 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -18.519 -2.844 8.600 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -17.080 -1.117 7.166 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -16.659 -2.558 6.261 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -17.882 -0.841 4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -19.593 -1.212 4.512 1.00 0.00 H new ATOM 1415 N PHE A 93 -16.674 -4.601 10.553 1.00 0.00 N ATOM 1416 CA PHE A 93 -16.945 -5.404 11.740 1.00 0.00 C ATOM 1417 C PHE A 93 -15.654 -5.731 12.483 1.00 0.00 C ATOM 1418 O PHE A 93 -15.479 -5.356 13.642 1.00 0.00 O ATOM 1419 CB PHE A 93 -17.666 -6.697 11.353 1.00 0.00 C ATOM 1420 CG PHE A 93 -18.860 -6.476 10.470 1.00 0.00 C ATOM 1421 CD1 PHE A 93 -18.700 -6.216 9.118 1.00 0.00 C ATOM 1422 CD2 PHE A 93 -20.143 -6.530 10.991 1.00 0.00 C ATOM 1423 CE1 PHE A 93 -19.798 -6.013 8.303 1.00 0.00 C ATOM 1424 CE2 PHE A 93 -21.244 -6.328 10.180 1.00 0.00 C ATOM 1425 CZ PHE A 93 -21.071 -6.068 8.834 1.00 0.00 C ATOM 0 H PHE A 93 -16.379 -5.139 9.738 1.00 0.00 H new ATOM 0 HA PHE A 93 -17.586 -4.822 12.402 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -16.964 -7.356 10.843 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -17.985 -7.211 12.260 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -17.707 -6.172 8.697 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -20.284 -6.732 12.042 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -19.660 -5.811 7.251 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -22.239 -6.373 10.598 1.00 0.00 H new ATOM 0 HZ PHE A 93 -21.930 -5.908 8.199 1.00 0.00 H new ATOM 1435 N GLY A 94 -14.750 -6.433 11.807 1.00 0.00 N ATOM 1436 CA GLY A 94 -13.486 -6.800 12.418 1.00 0.00 C ATOM 1437 C GLY A 94 -12.996 -8.161 11.965 1.00 0.00 C ATOM 1438 O GLY A 94 -13.795 -9.055 11.690 1.00 0.00 O ATOM 0 H GLY A 94 -14.871 -6.754 10.846 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.736 -6.048 12.174 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.597 -6.800 13.502 1.00 0.00 H new ATOM 1442 N GLU A 95 -11.678 -8.317 11.884 1.00 0.00 N ATOM 1443 CA GLU A 95 -11.083 -9.578 11.458 1.00 0.00 C ATOM 1444 C GLU A 95 -11.662 -10.748 12.250 1.00 0.00 C ATOM 1445 O GLU A 95 -11.997 -11.788 11.684 1.00 0.00 O ATOM 1446 CB GLU A 95 -9.564 -9.535 11.629 1.00 0.00 C ATOM 1447 CG GLU A 95 -9.119 -9.045 12.997 1.00 0.00 C ATOM 1448 CD GLU A 95 -8.972 -10.172 14.001 1.00 0.00 C ATOM 1449 OE1 GLU A 95 -8.497 -11.258 13.607 1.00 0.00 O ATOM 1450 OE2 GLU A 95 -9.332 -9.968 15.179 1.00 0.00 O ATOM 0 H GLU A 95 -11.003 -7.586 12.108 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.318 -9.723 10.404 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.159 -10.533 11.461 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.139 -8.886 10.864 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.167 -8.523 12.900 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.842 -8.321 13.372 1.00 0.00 H new ATOM 1457 N GLU A 96 -11.776 -10.568 13.562 1.00 0.00 N ATOM 1458 CA GLU A 96 -12.313 -11.608 14.431 1.00 0.00 C ATOM 1459 C GLU A 96 -13.672 -12.088 13.930 1.00 0.00 C ATOM 1460 O GLU A 96 -14.035 -13.250 14.106 1.00 0.00 O ATOM 1461 CB GLU A 96 -12.439 -11.090 15.866 1.00 0.00 C ATOM 1462 CG GLU A 96 -12.850 -12.159 16.864 1.00 0.00 C ATOM 1463 CD GLU A 96 -12.332 -11.881 18.262 1.00 0.00 C ATOM 1464 OE1 GLU A 96 -11.180 -12.266 18.555 1.00 0.00 O ATOM 1465 OE2 GLU A 96 -13.077 -11.279 19.063 1.00 0.00 O ATOM 0 H GLU A 96 -11.504 -9.712 14.046 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.622 -12.451 14.416 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.484 -10.664 16.175 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.171 -10.282 15.889 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -13.938 -12.227 16.890 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.478 -13.127 16.528 1.00 0.00 H new ATOM 1472 N ASN A 97 -14.419 -11.183 13.306 1.00 0.00 N ATOM 1473 CA ASN A 97 -15.739 -11.512 12.781 1.00 0.00 C ATOM 1474 C ASN A 97 -15.641 -12.032 11.350 1.00 0.00 C ATOM 1475 O ASN A 97 -16.495 -12.792 10.893 1.00 0.00 O ATOM 1476 CB ASN A 97 -16.651 -10.284 12.828 1.00 0.00 C ATOM 1477 CG ASN A 97 -16.658 -9.621 14.191 1.00 0.00 C ATOM 1478 OD1 ASN A 97 -16.162 -8.506 14.354 1.00 0.00 O ATOM 1479 ND2 ASN A 97 -17.222 -10.306 15.179 1.00 0.00 N ATOM 0 H ASN A 97 -14.133 -10.216 13.152 1.00 0.00 H new ATOM 0 HA ASN A 97 -16.166 -12.297 13.406 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.324 -9.563 12.078 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.667 -10.579 12.565 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -17.256 -9.911 16.119 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.621 -11.227 14.998 1.00 0.00 H new ATOM 1486 N VAL A 98 -14.592 -11.618 10.646 1.00 0.00 N ATOM 1487 CA VAL A 98 -14.380 -12.042 9.268 1.00 0.00 C ATOM 1488 C VAL A 98 -13.984 -13.513 9.200 1.00 0.00 C ATOM 1489 O VAL A 98 -14.081 -14.145 8.149 1.00 0.00 O ATOM 1490 CB VAL A 98 -13.290 -11.197 8.581 1.00 0.00 C ATOM 1491 CG1 VAL A 98 -13.064 -11.674 7.155 1.00 0.00 C ATOM 1492 CG2 VAL A 98 -13.666 -9.723 8.606 1.00 0.00 C ATOM 0 H VAL A 98 -13.876 -10.989 11.008 1.00 0.00 H new ATOM 0 HA VAL A 98 -15.325 -11.898 8.744 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.357 -11.321 9.131 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.291 -11.065 6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -12.748 -12.717 7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.991 -11.582 6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -12.886 -9.140 8.117 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -14.610 -9.579 8.080 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -13.772 -9.392 9.639 1.00 0.00 H new ATOM 1502 N ASN A 99 -13.538 -14.053 10.330 1.00 0.00 N ATOM 1503 CA ASN A 99 -13.127 -15.450 10.400 1.00 0.00 C ATOM 1504 C ASN A 99 -14.338 -16.377 10.346 1.00 0.00 C ATOM 1505 O ASN A 99 -14.344 -17.367 9.614 1.00 0.00 O ATOM 1506 CB ASN A 99 -12.331 -15.706 11.681 1.00 0.00 C ATOM 1507 CG ASN A 99 -10.957 -15.067 11.647 1.00 0.00 C ATOM 1508 OD1 ASN A 99 -10.624 -14.334 10.715 1.00 0.00 O ATOM 1509 ND2 ASN A 99 -10.150 -15.342 12.665 1.00 0.00 N ATOM 0 H ASN A 99 -13.452 -13.544 11.210 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.493 -15.660 9.539 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.887 -15.319 12.534 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.225 -16.780 11.831 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.213 -14.940 12.696 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.467 -15.955 13.416 1.00 0.00 H new ATOM 1516 N THR A 100 -15.363 -16.047 11.125 1.00 0.00 N ATOM 1517 CA THR A 100 -16.579 -16.849 11.167 1.00 0.00 C ATOM 1518 C THR A 100 -17.541 -16.448 10.054 1.00 0.00 C ATOM 1519 O THR A 100 -18.507 -17.156 9.770 1.00 0.00 O ATOM 1520 CB THR A 100 -17.297 -16.711 12.524 1.00 0.00 C ATOM 1521 OG1 THR A 100 -18.494 -17.496 12.526 1.00 0.00 O ATOM 1522 CG2 THR A 100 -17.637 -15.257 12.811 1.00 0.00 C ATOM 0 H THR A 100 -15.375 -15.230 11.735 1.00 0.00 H new ATOM 0 HA THR A 100 -16.277 -17.887 11.027 1.00 0.00 H new ATOM 0 HB THR A 100 -16.626 -17.071 13.304 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.734 -17.728 11.605 1.00 0.00 H new ATOM 0 HG21 THR A 100 -18.143 -15.185 13.774 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.721 -14.667 12.838 1.00 0.00 H new ATOM 0 HG23 THR A 100 -18.292 -14.875 12.028 1.00 0.00 H new ATOM 1530 N TYR A 101 -17.269 -15.310 9.426 1.00 0.00 N ATOM 1531 CA TYR A 101 -18.112 -14.814 8.344 1.00 0.00 C ATOM 1532 C TYR A 101 -17.906 -15.633 7.074 1.00 0.00 C ATOM 1533 O TYR A 101 -18.861 -15.953 6.366 1.00 0.00 O ATOM 1534 CB TYR A 101 -17.809 -13.340 8.069 1.00 0.00 C ATOM 1535 CG TYR A 101 -18.881 -12.643 7.261 1.00 0.00 C ATOM 1536 CD1 TYR A 101 -18.958 -12.807 5.884 1.00 0.00 C ATOM 1537 CD2 TYR A 101 -19.816 -11.819 7.876 1.00 0.00 C ATOM 1538 CE1 TYR A 101 -19.935 -12.171 5.142 1.00 0.00 C ATOM 1539 CE2 TYR A 101 -20.797 -11.180 7.142 1.00 0.00 C ATOM 1540 CZ TYR A 101 -20.852 -11.359 5.776 1.00 0.00 C ATOM 1541 OH TYR A 101 -21.827 -10.724 5.041 1.00 0.00 O ATOM 0 H TYR A 101 -16.472 -14.713 9.647 1.00 0.00 H new ATOM 0 HA TYR A 101 -19.153 -14.913 8.653 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -17.685 -12.820 9.019 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -16.860 -13.265 7.539 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -18.242 -13.443 5.384 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -19.775 -11.676 8.946 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -19.980 -12.309 4.072 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -21.517 -10.544 7.636 1.00 0.00 H new ATOM 0 HH TYR A 101 -22.392 -10.191 5.639 1.00 0.00 H new ATOM 1551 N PHE A 102 -16.652 -15.970 6.792 1.00 0.00 N ATOM 1552 CA PHE A 102 -16.318 -16.752 5.607 1.00 0.00 C ATOM 1553 C PHE A 102 -16.724 -18.212 5.787 1.00 0.00 C ATOM 1554 O PHE A 102 -16.947 -18.930 4.813 1.00 0.00 O ATOM 1555 CB PHE A 102 -14.819 -16.659 5.315 1.00 0.00 C ATOM 1556 CG PHE A 102 -14.423 -15.396 4.606 1.00 0.00 C ATOM 1557 CD1 PHE A 102 -15.131 -14.222 4.808 1.00 0.00 C ATOM 1558 CD2 PHE A 102 -13.343 -15.382 3.738 1.00 0.00 C ATOM 1559 CE1 PHE A 102 -14.769 -13.057 4.158 1.00 0.00 C ATOM 1560 CE2 PHE A 102 -12.976 -14.220 3.086 1.00 0.00 C ATOM 1561 CZ PHE A 102 -13.691 -13.056 3.295 1.00 0.00 C ATOM 0 H PHE A 102 -15.850 -15.714 7.368 1.00 0.00 H new ATOM 0 HA PHE A 102 -16.871 -16.341 4.763 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -14.269 -16.727 6.254 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -14.521 -17.515 4.709 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -15.976 -14.217 5.481 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.782 -16.289 3.569 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -15.329 -12.149 4.325 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -12.131 -14.222 2.414 1.00 0.00 H new ATOM 0 HZ PHE A 102 -13.407 -12.148 2.784 1.00 0.00 H new