USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 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 Single : A 17 THR OG1 : rot 27:sc= 0.109 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0195 X(o=-0.02,f=-0.28) USER MOD Single : A 44 ASN : amide:sc= -0.737 X(o=-0.74,f=-0.68) USER MOD Single : A 45 THR OG1 : rot 174:sc= -0.589 USER MOD Single : A 46 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-3.6!) USER MOD Single : A 47 MET CE :methyl 169:sc= 0 (180deg=-0.109) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 49:sc= -0.216 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 77 MET CE :methyl 151:sc= -3.93! (180deg=-5.9!) USER MOD Single : A 79 MET CE :methyl -173:sc= 0 (180deg=-0.052) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.15 X(o=-1.1,f=-1.5) USER MOD Single : A 91 LYS NZ :NH3+ 154:sc= -1.95 (180deg=-3.17!) USER MOD ----------------------------------------------------------------- ATOM 202 N THR A 17 3.778 4.389 1.497 1.00 0.00 N ATOM 203 CA THR A 17 4.335 3.133 1.983 1.00 0.00 C ATOM 204 C THR A 17 3.419 2.491 3.019 1.00 0.00 C ATOM 205 O THR A 17 2.701 3.182 3.742 1.00 0.00 O ATOM 206 CB THR A 17 5.729 3.339 2.604 1.00 0.00 C ATOM 207 OG1 THR A 17 6.597 3.975 1.660 1.00 0.00 O ATOM 208 CG2 THR A 17 6.330 2.011 3.039 1.00 0.00 C ATOM 0 HA THR A 17 4.424 2.472 1.121 1.00 0.00 H new ATOM 0 HB THR A 17 5.620 3.975 3.482 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.064 4.508 1.034 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.314 2.182 3.474 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.682 1.544 3.780 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.425 1.354 2.174 1.00 0.00 H new ATOM 216 N VAL A 18 3.450 1.164 3.088 1.00 0.00 N ATOM 217 CA VAL A 18 2.624 0.428 4.037 1.00 0.00 C ATOM 218 C VAL A 18 3.472 -0.180 5.148 1.00 0.00 C ATOM 219 O VAL A 18 4.685 -0.335 5.003 1.00 0.00 O ATOM 220 CB VAL A 18 1.830 -0.693 3.340 1.00 0.00 C ATOM 221 CG1 VAL A 18 1.248 -0.198 2.026 1.00 0.00 C ATOM 222 CG2 VAL A 18 2.715 -1.910 3.116 1.00 0.00 C ATOM 0 H VAL A 18 4.039 0.577 2.497 1.00 0.00 H new ATOM 0 HA VAL A 18 1.924 1.144 4.468 1.00 0.00 H new ATOM 0 HB VAL A 18 1.003 -0.986 3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.691 -1.004 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.580 0.642 2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.056 0.124 1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.139 -2.693 2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.562 -1.633 2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.079 -2.277 4.076 1.00 0.00 H new ATOM 232 N TYR A 19 2.827 -0.523 6.258 1.00 0.00 N ATOM 233 CA TYR A 19 3.523 -1.113 7.395 1.00 0.00 C ATOM 234 C TYR A 19 3.173 -2.590 7.541 1.00 0.00 C ATOM 235 O TYR A 19 2.087 -2.941 8.003 1.00 0.00 O ATOM 236 CB TYR A 19 3.168 -0.364 8.681 1.00 0.00 C ATOM 237 CG TYR A 19 4.058 -0.715 9.852 1.00 0.00 C ATOM 238 CD1 TYR A 19 4.081 -2.003 10.370 1.00 0.00 C ATOM 239 CD2 TYR A 19 4.876 0.242 10.439 1.00 0.00 C ATOM 240 CE1 TYR A 19 4.892 -2.329 11.440 1.00 0.00 C ATOM 241 CE2 TYR A 19 5.692 -0.074 11.508 1.00 0.00 C ATOM 242 CZ TYR A 19 5.696 -1.361 12.005 1.00 0.00 C ATOM 243 OH TYR A 19 6.506 -1.680 13.071 1.00 0.00 O ATOM 0 H TYR A 19 1.823 -0.402 6.394 1.00 0.00 H new ATOM 0 HA TYR A 19 4.595 -1.028 7.217 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.231 0.708 8.496 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.133 -0.582 8.944 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.454 -2.763 9.929 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.874 1.251 10.053 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.896 -3.335 11.832 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.323 0.682 11.952 1.00 0.00 H new ATOM 0 HH TYR A 19 7.008 -0.886 13.349 1.00 0.00 H new ATOM 253 N VAL A 20 4.103 -3.454 7.145 1.00 0.00 N ATOM 254 CA VAL A 20 3.895 -4.894 7.232 1.00 0.00 C ATOM 255 C VAL A 20 4.436 -5.448 8.546 1.00 0.00 C ATOM 256 O VAL A 20 5.643 -5.445 8.783 1.00 0.00 O ATOM 257 CB VAL A 20 4.571 -5.631 6.060 1.00 0.00 C ATOM 258 CG1 VAL A 20 4.250 -7.117 6.107 1.00 0.00 C ATOM 259 CG2 VAL A 20 4.141 -5.026 4.733 1.00 0.00 C ATOM 0 H VAL A 20 5.008 -3.181 6.761 1.00 0.00 H new ATOM 0 HA VAL A 20 2.819 -5.062 7.185 1.00 0.00 H new ATOM 0 HB VAL A 20 5.651 -5.514 6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.736 -7.621 5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.612 -7.538 7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.171 -7.259 6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.628 -5.558 3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.059 -5.111 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.427 -3.975 4.703 1.00 0.00 H new ATOM 269 N GLY A 21 3.533 -5.925 9.397 1.00 0.00 N ATOM 270 CA GLY A 21 3.938 -6.477 10.677 1.00 0.00 C ATOM 271 C GLY A 21 3.383 -7.867 10.911 1.00 0.00 C ATOM 272 O GLY A 21 2.168 -8.058 10.957 1.00 0.00 O ATOM 0 H GLY A 21 2.528 -5.939 9.223 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.026 -6.511 10.726 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.603 -5.816 11.476 1.00 0.00 H new ATOM 276 N GLY A 22 4.274 -8.843 11.057 1.00 0.00 N ATOM 277 CA GLY A 22 3.847 -10.211 11.284 1.00 0.00 C ATOM 278 C GLY A 22 4.193 -11.126 10.126 1.00 0.00 C ATOM 279 O GLY A 22 3.324 -11.811 9.585 1.00 0.00 O ATOM 0 H GLY A 22 5.285 -8.710 11.022 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.315 -10.588 12.193 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.770 -10.230 11.448 1.00 0.00 H new ATOM 283 N LEU A 23 5.465 -11.137 9.742 1.00 0.00 N ATOM 284 CA LEU A 23 5.924 -11.974 8.639 1.00 0.00 C ATOM 285 C LEU A 23 6.743 -13.153 9.154 1.00 0.00 C ATOM 286 O LEU A 23 7.305 -13.100 10.249 1.00 0.00 O ATOM 287 CB LEU A 23 6.759 -11.147 7.660 1.00 0.00 C ATOM 288 CG LEU A 23 6.078 -9.909 7.075 1.00 0.00 C ATOM 289 CD1 LEU A 23 7.101 -8.999 6.413 1.00 0.00 C ATOM 290 CD2 LEU A 23 4.999 -10.314 6.081 1.00 0.00 C ATOM 0 H LEU A 23 6.197 -10.576 10.178 1.00 0.00 H new ATOM 0 HA LEU A 23 5.047 -12.364 8.121 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.670 -10.830 8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.062 -11.793 6.836 1.00 0.00 H new ATOM 0 HG LEU A 23 5.606 -9.359 7.889 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.598 -8.124 6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.837 -8.681 7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.602 -9.539 5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.525 -9.421 5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.448 -10.887 5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.250 -10.925 6.586 1.00 0.00 H new ATOM 302 N ASP A 24 6.808 -14.214 8.358 1.00 0.00 N ATOM 303 CA ASP A 24 7.562 -15.405 8.732 1.00 0.00 C ATOM 304 C ASP A 24 8.884 -15.472 7.974 1.00 0.00 C ATOM 305 O ASP A 24 9.031 -14.871 6.911 1.00 0.00 O ATOM 306 CB ASP A 24 6.737 -16.664 8.456 1.00 0.00 C ATOM 307 CG ASP A 24 7.162 -17.835 9.319 1.00 0.00 C ATOM 308 OD1 ASP A 24 7.716 -17.597 10.413 1.00 0.00 O ATOM 309 OD2 ASP A 24 6.941 -18.991 8.901 1.00 0.00 O ATOM 0 H ASP A 24 6.348 -14.274 7.450 1.00 0.00 H new ATOM 0 HA ASP A 24 7.778 -15.348 9.799 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.683 -16.450 8.632 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.835 -16.936 7.405 1.00 0.00 H new ATOM 314 N GLU A 25 9.842 -16.207 8.530 1.00 0.00 N ATOM 315 CA GLU A 25 11.153 -16.350 7.906 1.00 0.00 C ATOM 316 C GLU A 25 11.022 -16.494 6.393 1.00 0.00 C ATOM 317 O GLU A 25 11.759 -15.866 5.632 1.00 0.00 O ATOM 318 CB GLU A 25 11.887 -17.561 8.484 1.00 0.00 C ATOM 319 CG GLU A 25 11.175 -18.880 8.236 1.00 0.00 C ATOM 320 CD GLU A 25 11.801 -20.034 8.995 1.00 0.00 C ATOM 321 OE1 GLU A 25 11.944 -19.923 10.231 1.00 0.00 O ATOM 322 OE2 GLU A 25 12.148 -21.047 8.353 1.00 0.00 O ATOM 0 H GLU A 25 9.736 -16.712 9.410 1.00 0.00 H new ATOM 0 HA GLU A 25 11.729 -15.450 8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.886 -17.610 8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 25 12.011 -17.421 9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.129 -18.784 8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.190 -19.101 7.169 1.00 0.00 H new ATOM 329 N LYS A 26 10.081 -17.327 5.963 1.00 0.00 N ATOM 330 CA LYS A 26 9.851 -17.555 4.541 1.00 0.00 C ATOM 331 C LYS A 26 9.771 -16.233 3.784 1.00 0.00 C ATOM 332 O LYS A 26 10.490 -16.021 2.807 1.00 0.00 O ATOM 333 CB LYS A 26 8.562 -18.353 4.333 1.00 0.00 C ATOM 334 CG LYS A 26 8.763 -19.857 4.381 1.00 0.00 C ATOM 335 CD LYS A 26 7.645 -20.593 3.661 1.00 0.00 C ATOM 336 CE LYS A 26 7.907 -20.680 2.166 1.00 0.00 C ATOM 337 NZ LYS A 26 8.697 -21.891 1.811 1.00 0.00 N ATOM 0 H LYS A 26 9.464 -17.856 6.579 1.00 0.00 H new ATOM 0 HA LYS A 26 10.692 -18.127 4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.840 -18.067 5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.129 -18.083 3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.720 -20.112 3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.807 -20.186 5.419 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.545 -21.597 4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.699 -20.081 3.836 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.957 -20.696 1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.442 -19.789 1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.854 -21.914 0.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.614 -21.863 2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.175 -22.743 2.100 1.00 0.00 H new ATOM 351 N VAL A 27 8.894 -15.346 4.242 1.00 0.00 N ATOM 352 CA VAL A 27 8.722 -14.044 3.609 1.00 0.00 C ATOM 353 C VAL A 27 10.068 -13.433 3.235 1.00 0.00 C ATOM 354 O VAL A 27 11.053 -13.586 3.957 1.00 0.00 O ATOM 355 CB VAL A 27 7.966 -13.068 4.530 1.00 0.00 C ATOM 356 CG1 VAL A 27 7.909 -11.681 3.907 1.00 0.00 C ATOM 357 CG2 VAL A 27 6.566 -13.588 4.822 1.00 0.00 C ATOM 0 H VAL A 27 8.291 -15.505 5.049 1.00 0.00 H new ATOM 0 HA VAL A 27 8.136 -14.206 2.704 1.00 0.00 H new ATOM 0 HB VAL A 27 8.506 -12.994 5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.371 -11.005 4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.922 -11.309 3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.393 -11.734 2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.046 -12.886 5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.014 -13.692 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.634 -14.558 5.314 1.00 0.00 H new ATOM 367 N SER A 28 10.102 -12.739 2.102 1.00 0.00 N ATOM 368 CA SER A 28 11.328 -12.107 1.630 1.00 0.00 C ATOM 369 C SER A 28 11.047 -10.704 1.099 1.00 0.00 C ATOM 370 O SER A 28 9.893 -10.321 0.909 1.00 0.00 O ATOM 371 CB SER A 28 11.977 -12.957 0.536 1.00 0.00 C ATOM 372 OG SER A 28 12.169 -14.291 0.974 1.00 0.00 O ATOM 0 H SER A 28 9.295 -12.600 1.494 1.00 0.00 H new ATOM 0 HA SER A 28 12.014 -12.027 2.474 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.349 -12.950 -0.355 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.936 -12.522 0.254 1.00 0.00 H new ATOM 0 HG SER A 28 12.584 -14.814 0.257 1.00 0.00 H new ATOM 378 N GLU A 29 12.111 -9.943 0.863 1.00 0.00 N ATOM 379 CA GLU A 29 11.979 -8.583 0.355 1.00 0.00 C ATOM 380 C GLU A 29 11.351 -8.580 -1.036 1.00 0.00 C ATOM 381 O GLU A 29 10.375 -7.877 -1.302 1.00 0.00 O ATOM 382 CB GLU A 29 13.345 -7.896 0.311 1.00 0.00 C ATOM 383 CG GLU A 29 13.297 -6.420 0.669 1.00 0.00 C ATOM 384 CD GLU A 29 14.510 -5.659 0.172 1.00 0.00 C ATOM 385 OE1 GLU A 29 14.977 -5.954 -0.948 1.00 0.00 O ATOM 386 OE2 GLU A 29 14.993 -4.768 0.902 1.00 0.00 O ATOM 0 H GLU A 29 13.073 -10.245 1.015 1.00 0.00 H new ATOM 0 HA GLU A 29 11.325 -8.032 1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.021 -8.406 0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.765 -8.005 -0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.396 -5.976 0.245 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.225 -6.315 1.752 1.00 0.00 H new ATOM 393 N PRO A 30 11.923 -9.383 -1.944 1.00 0.00 N ATOM 394 CA PRO A 30 11.436 -9.492 -3.323 1.00 0.00 C ATOM 395 C PRO A 30 10.086 -10.195 -3.408 1.00 0.00 C ATOM 396 O PRO A 30 9.540 -10.383 -4.495 1.00 0.00 O ATOM 397 CB PRO A 30 12.517 -10.325 -4.016 1.00 0.00 C ATOM 398 CG PRO A 30 13.144 -11.118 -2.922 1.00 0.00 C ATOM 399 CD PRO A 30 13.088 -10.248 -1.696 1.00 0.00 C ATOM 0 HA PRO A 30 11.276 -8.514 -3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.088 -10.974 -4.779 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.249 -9.689 -4.513 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.608 -12.054 -2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.173 -11.378 -3.169 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.963 -10.840 -0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.002 -9.666 -1.574 1.00 0.00 H new ATOM 407 N LEU A 31 9.552 -10.580 -2.254 1.00 0.00 N ATOM 408 CA LEU A 31 8.264 -11.262 -2.197 1.00 0.00 C ATOM 409 C LEU A 31 7.121 -10.260 -2.071 1.00 0.00 C ATOM 410 O LEU A 31 6.151 -10.309 -2.828 1.00 0.00 O ATOM 411 CB LEU A 31 8.233 -12.239 -1.021 1.00 0.00 C ATOM 412 CG LEU A 31 6.890 -12.918 -0.747 1.00 0.00 C ATOM 413 CD1 LEU A 31 6.570 -13.926 -1.840 1.00 0.00 C ATOM 414 CD2 LEU A 31 6.902 -13.593 0.617 1.00 0.00 C ATOM 0 H LEU A 31 9.991 -10.431 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 31 8.134 -11.817 -3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.979 -13.013 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.537 -11.703 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 31 6.112 -12.155 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.611 -14.399 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.519 -13.416 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.350 -14.686 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.939 -14.071 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.691 -14.345 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.085 -12.847 1.390 1.00 0.00 H new ATOM 426 N LEU A 32 7.244 -9.349 -1.111 1.00 0.00 N ATOM 427 CA LEU A 32 6.223 -8.332 -0.886 1.00 0.00 C ATOM 428 C LEU A 32 5.956 -7.538 -2.161 1.00 0.00 C ATOM 429 O LEU A 32 4.807 -7.238 -2.488 1.00 0.00 O ATOM 430 CB LEU A 32 6.654 -7.387 0.236 1.00 0.00 C ATOM 431 CG LEU A 32 7.248 -8.050 1.480 1.00 0.00 C ATOM 432 CD1 LEU A 32 7.664 -6.999 2.498 1.00 0.00 C ATOM 433 CD2 LEU A 32 6.252 -9.024 2.093 1.00 0.00 C ATOM 0 H LEU A 32 8.041 -9.294 -0.476 1.00 0.00 H new ATOM 0 HA LEU A 32 5.302 -8.836 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.389 -6.689 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.789 -6.798 0.541 1.00 0.00 H new ATOM 0 HG LEU A 32 8.135 -8.609 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.084 -7.489 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.413 -6.341 2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.794 -6.412 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.692 -9.486 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.346 -8.488 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.004 -9.797 1.365 1.00 0.00 H new ATOM 445 N TRP A 33 7.023 -7.202 -2.876 1.00 0.00 N ATOM 446 CA TRP A 33 6.903 -6.444 -4.117 1.00 0.00 C ATOM 447 C TRP A 33 5.803 -7.019 -5.002 1.00 0.00 C ATOM 448 O TRP A 33 4.746 -6.410 -5.168 1.00 0.00 O ATOM 449 CB TRP A 33 8.234 -6.446 -4.870 1.00 0.00 C ATOM 450 CG TRP A 33 8.380 -5.297 -5.821 1.00 0.00 C ATOM 451 CD1 TRP A 33 7.458 -4.864 -6.731 1.00 0.00 C ATOM 452 CD2 TRP A 33 9.517 -4.437 -5.958 1.00 0.00 C ATOM 453 NE1 TRP A 33 7.953 -3.786 -7.424 1.00 0.00 N ATOM 454 CE2 TRP A 33 9.214 -3.504 -6.968 1.00 0.00 C ATOM 455 CE3 TRP A 33 10.760 -4.363 -5.324 1.00 0.00 C ATOM 456 CZ2 TRP A 33 10.109 -2.511 -7.358 1.00 0.00 C ATOM 457 CZ3 TRP A 33 11.648 -3.378 -5.712 1.00 0.00 C ATOM 458 CH2 TRP A 33 11.319 -2.462 -6.720 1.00 0.00 C ATOM 0 H TRP A 33 7.980 -7.442 -2.619 1.00 0.00 H new ATOM 0 HA TRP A 33 6.639 -5.417 -3.863 1.00 0.00 H new ATOM 0 HB2 TRP A 33 9.051 -6.418 -4.149 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.329 -7.380 -5.423 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.484 -5.304 -6.883 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.461 -3.278 -8.159 1.00 0.00 H new ATOM 0 HE3 TRP A 33 11.022 -5.063 -4.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.858 -1.805 -8.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.612 -3.313 -5.230 1.00 0.00 H new ATOM 0 HH2 TRP A 33 12.034 -1.702 -6.999 1.00 0.00 H new ATOM 469 N GLU A 34 6.058 -8.194 -5.568 1.00 0.00 N ATOM 470 CA GLU A 34 5.087 -8.849 -6.437 1.00 0.00 C ATOM 471 C GLU A 34 3.833 -9.235 -5.659 1.00 0.00 C ATOM 472 O GLU A 34 2.717 -9.148 -6.174 1.00 0.00 O ATOM 473 CB GLU A 34 5.704 -10.094 -7.081 1.00 0.00 C ATOM 474 CG GLU A 34 6.446 -9.805 -8.375 1.00 0.00 C ATOM 475 CD GLU A 34 7.088 -11.045 -8.967 1.00 0.00 C ATOM 476 OE1 GLU A 34 6.373 -12.051 -9.155 1.00 0.00 O ATOM 477 OE2 GLU A 34 8.306 -11.008 -9.243 1.00 0.00 O ATOM 0 H GLU A 34 6.928 -8.712 -5.441 1.00 0.00 H new ATOM 0 HA GLU A 34 4.805 -8.145 -7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.392 -10.556 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.915 -10.820 -7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.753 -9.378 -9.100 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.215 -9.055 -8.189 1.00 0.00 H new ATOM 484 N LEU A 35 4.023 -9.661 -4.415 1.00 0.00 N ATOM 485 CA LEU A 35 2.908 -10.060 -3.564 1.00 0.00 C ATOM 486 C LEU A 35 1.938 -8.901 -3.357 1.00 0.00 C ATOM 487 O LEU A 35 0.744 -9.108 -3.141 1.00 0.00 O ATOM 488 CB LEU A 35 3.424 -10.556 -2.212 1.00 0.00 C ATOM 489 CG LEU A 35 2.387 -10.656 -1.093 1.00 0.00 C ATOM 490 CD1 LEU A 35 1.420 -11.799 -1.362 1.00 0.00 C ATOM 491 CD2 LEU A 35 3.071 -10.840 0.253 1.00 0.00 C ATOM 0 H LEU A 35 4.939 -9.739 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 35 2.376 -10.870 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.871 -11.540 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.221 -9.889 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 35 1.820 -9.726 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.689 -11.855 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.905 -11.625 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.972 -12.737 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.318 -10.909 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.664 -11.754 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.722 -9.988 0.450 1.00 0.00 H new ATOM 503 N PHE A 36 2.460 -7.681 -3.427 1.00 0.00 N ATOM 504 CA PHE A 36 1.640 -6.488 -3.248 1.00 0.00 C ATOM 505 C PHE A 36 1.165 -5.949 -4.594 1.00 0.00 C ATOM 506 O PHE A 36 0.109 -5.320 -4.686 1.00 0.00 O ATOM 507 CB PHE A 36 2.429 -5.409 -2.503 1.00 0.00 C ATOM 508 CG PHE A 36 2.276 -5.478 -1.011 1.00 0.00 C ATOM 509 CD1 PHE A 36 2.824 -6.528 -0.293 1.00 0.00 C ATOM 510 CD2 PHE A 36 1.585 -4.491 -0.325 1.00 0.00 C ATOM 511 CE1 PHE A 36 2.684 -6.594 1.081 1.00 0.00 C ATOM 512 CE2 PHE A 36 1.442 -4.552 1.048 1.00 0.00 C ATOM 513 CZ PHE A 36 1.994 -5.604 1.752 1.00 0.00 C ATOM 0 H PHE A 36 3.446 -7.492 -3.606 1.00 0.00 H new ATOM 0 HA PHE A 36 0.766 -6.762 -2.657 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.485 -5.502 -2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.103 -4.428 -2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.367 -7.304 -0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.153 -3.665 -0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.114 -7.419 1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.899 -3.778 1.570 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.886 -5.652 2.826 1.00 0.00 H new ATOM 523 N LEU A 37 1.951 -6.198 -5.635 1.00 0.00 N ATOM 524 CA LEU A 37 1.611 -5.737 -6.977 1.00 0.00 C ATOM 525 C LEU A 37 0.118 -5.892 -7.245 1.00 0.00 C ATOM 526 O LEU A 37 -0.447 -5.194 -8.087 1.00 0.00 O ATOM 527 CB LEU A 37 2.412 -6.516 -8.023 1.00 0.00 C ATOM 528 CG LEU A 37 3.852 -6.055 -8.246 1.00 0.00 C ATOM 529 CD1 LEU A 37 4.542 -6.938 -9.274 1.00 0.00 C ATOM 530 CD2 LEU A 37 3.883 -4.598 -8.685 1.00 0.00 C ATOM 0 H LEU A 37 2.828 -6.716 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 37 1.865 -4.679 -7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.429 -7.566 -7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.882 -6.459 -8.974 1.00 0.00 H new ATOM 0 HG LEU A 37 4.391 -6.141 -7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.566 -6.595 -9.420 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.552 -7.969 -8.920 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.003 -6.884 -10.220 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.916 -4.286 -8.839 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.328 -4.487 -9.616 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.428 -3.976 -7.914 1.00 0.00 H new ATOM 542 N GLN A 38 -0.516 -6.809 -6.521 1.00 0.00 N ATOM 543 CA GLN A 38 -1.945 -7.053 -6.679 1.00 0.00 C ATOM 544 C GLN A 38 -2.744 -5.773 -6.459 1.00 0.00 C ATOM 545 O GLN A 38 -3.640 -5.448 -7.236 1.00 0.00 O ATOM 546 CB GLN A 38 -2.410 -8.134 -5.702 1.00 0.00 C ATOM 547 CG GLN A 38 -1.438 -9.296 -5.572 1.00 0.00 C ATOM 548 CD GLN A 38 -2.134 -10.607 -5.263 1.00 0.00 C ATOM 549 OE1 GLN A 38 -3.097 -10.985 -5.931 1.00 0.00 O ATOM 550 NE2 GLN A 38 -1.650 -11.309 -4.245 1.00 0.00 N ATOM 0 H GLN A 38 -0.063 -7.395 -5.820 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.119 -7.396 -7.699 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.559 -7.685 -4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.377 -8.515 -6.029 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.874 -9.398 -6.499 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.718 -9.076 -4.783 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.850 -10.958 -3.718 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.078 -12.199 -3.990 1.00 0.00 H new ATOM 559 N ALA A 39 -2.413 -5.051 -5.393 1.00 0.00 N ATOM 560 CA ALA A 39 -3.098 -3.806 -5.071 1.00 0.00 C ATOM 561 C ALA A 39 -2.719 -2.701 -6.051 1.00 0.00 C ATOM 562 O ALA A 39 -3.584 -2.079 -6.666 1.00 0.00 O ATOM 563 CB ALA A 39 -2.780 -3.381 -3.645 1.00 0.00 C ATOM 0 H ALA A 39 -1.674 -5.308 -4.738 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.171 -3.979 -5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.299 -2.449 -3.419 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.108 -4.156 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.705 -3.232 -3.541 1.00 0.00 H new ATOM 569 N GLY A 40 -1.419 -2.462 -6.192 1.00 0.00 N ATOM 570 CA GLY A 40 -0.948 -1.431 -7.099 1.00 0.00 C ATOM 571 C GLY A 40 0.491 -1.645 -7.523 1.00 0.00 C ATOM 572 O GLY A 40 1.144 -2.607 -7.118 1.00 0.00 O ATOM 0 H GLY A 40 -0.683 -2.964 -5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.585 -1.411 -7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.041 -0.458 -6.617 1.00 0.00 H new ATOM 576 N PRO A 41 1.007 -0.733 -8.361 1.00 0.00 N ATOM 577 CA PRO A 41 2.384 -0.805 -8.859 1.00 0.00 C ATOM 578 C PRO A 41 3.411 -0.527 -7.767 1.00 0.00 C ATOM 579 O PRO A 41 3.798 0.619 -7.542 1.00 0.00 O ATOM 580 CB PRO A 41 2.432 0.288 -9.929 1.00 0.00 C ATOM 581 CG PRO A 41 1.372 1.257 -9.529 1.00 0.00 C ATOM 582 CD PRO A 41 0.287 0.439 -8.885 1.00 0.00 C ATOM 0 HA PRO A 41 2.630 -1.799 -9.234 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.411 0.765 -9.964 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.241 -0.121 -10.921 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.764 2.001 -8.835 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.991 1.799 -10.395 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.214 0.991 -8.090 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.479 0.151 -9.605 1.00 0.00 H new ATOM 590 N VAL A 42 3.851 -1.584 -7.091 1.00 0.00 N ATOM 591 CA VAL A 42 4.835 -1.454 -6.024 1.00 0.00 C ATOM 592 C VAL A 42 6.122 -0.819 -6.537 1.00 0.00 C ATOM 593 O VAL A 42 6.714 -1.288 -7.509 1.00 0.00 O ATOM 594 CB VAL A 42 5.165 -2.821 -5.395 1.00 0.00 C ATOM 595 CG1 VAL A 42 6.226 -2.670 -4.315 1.00 0.00 C ATOM 596 CG2 VAL A 42 3.908 -3.466 -4.833 1.00 0.00 C ATOM 0 H VAL A 42 3.541 -2.540 -7.264 1.00 0.00 H new ATOM 0 HA VAL A 42 4.394 -0.810 -5.264 1.00 0.00 H new ATOM 0 HB VAL A 42 5.563 -3.473 -6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.446 -3.646 -3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.134 -2.254 -4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.859 -2.002 -3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.160 -4.431 -4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.478 -2.819 -4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.184 -3.611 -5.635 1.00 0.00 H new ATOM 606 N VAL A 43 6.551 0.253 -5.878 1.00 0.00 N ATOM 607 CA VAL A 43 7.769 0.953 -6.266 1.00 0.00 C ATOM 608 C VAL A 43 9.005 0.251 -5.715 1.00 0.00 C ATOM 609 O VAL A 43 9.913 -0.108 -6.463 1.00 0.00 O ATOM 610 CB VAL A 43 7.759 2.413 -5.775 1.00 0.00 C ATOM 611 CG1 VAL A 43 8.827 3.225 -6.490 1.00 0.00 C ATOM 612 CG2 VAL A 43 6.384 3.032 -5.975 1.00 0.00 C ATOM 0 H VAL A 43 6.072 0.655 -5.072 1.00 0.00 H new ATOM 0 HA VAL A 43 7.805 0.945 -7.355 1.00 0.00 H new ATOM 0 HB VAL A 43 7.985 2.421 -4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.804 4.253 -6.130 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.807 2.792 -6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.636 3.212 -7.563 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.395 4.063 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.127 3.013 -7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.644 2.464 -5.412 1.00 0.00 H new ATOM 622 N ASN A 44 9.033 0.060 -4.400 1.00 0.00 N ATOM 623 CA ASN A 44 10.159 -0.599 -3.747 1.00 0.00 C ATOM 624 C ASN A 44 9.733 -1.211 -2.416 1.00 0.00 C ATOM 625 O ASN A 44 8.732 -0.807 -1.825 1.00 0.00 O ATOM 626 CB ASN A 44 11.299 0.397 -3.521 1.00 0.00 C ATOM 627 CG ASN A 44 12.267 -0.066 -2.450 1.00 0.00 C ATOM 628 OD1 ASN A 44 13.177 -0.850 -2.717 1.00 0.00 O ATOM 629 ND2 ASN A 44 12.073 0.419 -1.229 1.00 0.00 N ATOM 0 H ASN A 44 8.289 0.352 -3.766 1.00 0.00 H new ATOM 0 HA ASN A 44 10.508 -1.399 -4.400 1.00 0.00 H new ATOM 0 HB2 ASN A 44 11.839 0.545 -4.456 1.00 0.00 H new ATOM 0 HB3 ASN A 44 10.883 1.364 -3.237 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.692 0.144 -0.467 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.305 1.067 -1.054 1.00 0.00 H new ATOM 636 N THR A 45 10.502 -2.191 -1.949 1.00 0.00 N ATOM 637 CA THR A 45 10.205 -2.860 -0.689 1.00 0.00 C ATOM 638 C THR A 45 11.305 -2.614 0.337 1.00 0.00 C ATOM 639 O THR A 45 12.492 -2.683 0.017 1.00 0.00 O ATOM 640 CB THR A 45 10.032 -4.378 -0.886 1.00 0.00 C ATOM 641 OG1 THR A 45 11.245 -4.948 -1.391 1.00 0.00 O ATOM 642 CG2 THR A 45 8.890 -4.673 -1.847 1.00 0.00 C ATOM 0 H THR A 45 11.335 -2.538 -2.425 1.00 0.00 H new ATOM 0 HA THR A 45 9.269 -2.440 -0.321 1.00 0.00 H new ATOM 0 HB THR A 45 9.796 -4.822 0.081 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.161 -5.924 -1.420 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.787 -5.751 -1.970 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.963 -4.264 -1.447 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.101 -4.216 -2.814 1.00 0.00 H new ATOM 650 N HIS A 46 10.904 -2.328 1.571 1.00 0.00 N ATOM 651 CA HIS A 46 11.857 -2.073 2.645 1.00 0.00 C ATOM 652 C HIS A 46 11.658 -3.058 3.794 1.00 0.00 C ATOM 653 O HIS A 46 10.559 -3.184 4.332 1.00 0.00 O ATOM 654 CB HIS A 46 11.711 -0.640 3.156 1.00 0.00 C ATOM 655 CG HIS A 46 12.778 -0.238 4.128 1.00 0.00 C ATOM 656 ND1 HIS A 46 13.180 -1.037 5.177 1.00 0.00 N ATOM 657 CD2 HIS A 46 13.528 0.886 4.203 1.00 0.00 C ATOM 658 CE1 HIS A 46 14.131 -0.422 5.857 1.00 0.00 C ATOM 659 NE2 HIS A 46 14.361 0.747 5.287 1.00 0.00 N ATOM 0 H HIS A 46 9.925 -2.267 1.852 1.00 0.00 H new ATOM 0 HA HIS A 46 12.862 -2.207 2.244 1.00 0.00 H new ATOM 0 HB2 HIS A 46 11.729 0.043 2.307 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.737 -0.531 3.633 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.481 1.734 3.536 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.635 -0.809 6.730 1.00 0.00 H new ATOM 0 HE2 HIS A 46 15.046 1.435 5.601 1.00 0.00 H new ATOM 667 N MET A 47 12.729 -3.754 4.162 1.00 0.00 N ATOM 668 CA MET A 47 12.671 -4.727 5.247 1.00 0.00 C ATOM 669 C MET A 47 13.939 -4.674 6.093 1.00 0.00 C ATOM 670 O MET A 47 15.042 -4.949 5.619 1.00 0.00 O ATOM 671 CB MET A 47 12.477 -6.137 4.686 1.00 0.00 C ATOM 672 CG MET A 47 11.028 -6.469 4.366 1.00 0.00 C ATOM 673 SD MET A 47 10.838 -8.100 3.623 1.00 0.00 S ATOM 674 CE MET A 47 11.134 -9.155 5.040 1.00 0.00 C ATOM 0 H MET A 47 13.646 -3.663 3.725 1.00 0.00 H new ATOM 0 HA MET A 47 11.821 -4.476 5.882 1.00 0.00 H new ATOM 0 HB2 MET A 47 13.074 -6.245 3.781 1.00 0.00 H new ATOM 0 HB3 MET A 47 12.857 -6.861 5.406 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.437 -6.420 5.281 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.628 -5.716 3.687 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.862 -10.181 4.793 1.00 0.00 H new ATOM 0 HE2 MET A 47 12.189 -9.114 5.310 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.531 -8.813 5.881 1.00 0.00 H new ATOM 684 N PRO A 48 13.782 -4.312 7.375 1.00 0.00 N ATOM 685 CA PRO A 48 14.904 -4.215 8.313 1.00 0.00 C ATOM 686 C PRO A 48 15.483 -5.580 8.668 1.00 0.00 C ATOM 687 O PRO A 48 14.748 -6.553 8.836 1.00 0.00 O ATOM 688 CB PRO A 48 14.278 -3.562 9.548 1.00 0.00 C ATOM 689 CG PRO A 48 12.833 -3.915 9.472 1.00 0.00 C ATOM 690 CD PRO A 48 12.497 -3.969 8.007 1.00 0.00 C ATOM 0 HA PRO A 48 15.739 -3.653 7.893 1.00 0.00 H new ATOM 0 HB2 PRO A 48 14.729 -3.938 10.466 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.422 -2.482 9.541 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.640 -4.874 9.952 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.222 -3.172 9.985 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.733 -4.718 7.797 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.114 -3.014 7.647 1.00 0.00 H new ATOM 851 N TYR A 59 8.775 -8.025 9.954 1.00 0.00 N ATOM 852 CA TYR A 59 8.025 -6.842 9.550 1.00 0.00 C ATOM 853 C TYR A 59 8.768 -6.070 8.464 1.00 0.00 C ATOM 854 O TYR A 59 9.997 -6.029 8.446 1.00 0.00 O ATOM 855 CB TYR A 59 7.776 -5.934 10.756 1.00 0.00 C ATOM 856 CG TYR A 59 9.007 -5.188 11.217 1.00 0.00 C ATOM 857 CD1 TYR A 59 9.994 -5.827 11.958 1.00 0.00 C ATOM 858 CD2 TYR A 59 9.184 -3.844 10.911 1.00 0.00 C ATOM 859 CE1 TYR A 59 11.120 -5.149 12.382 1.00 0.00 C ATOM 860 CE2 TYR A 59 10.308 -3.159 11.330 1.00 0.00 C ATOM 861 CZ TYR A 59 11.273 -3.815 12.065 1.00 0.00 C ATOM 862 OH TYR A 59 12.394 -3.136 12.484 1.00 0.00 O ATOM 0 HA TYR A 59 7.067 -7.171 9.146 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.998 -5.213 10.503 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.396 -6.536 11.581 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.878 -6.872 12.207 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.430 -3.327 10.336 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.877 -5.660 12.959 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.430 -2.115 11.083 1.00 0.00 H new ATOM 0 HH TYR A 59 12.348 -2.207 12.177 1.00 0.00 H new ATOM 872 N GLY A 60 8.010 -5.458 7.558 1.00 0.00 N ATOM 873 CA GLY A 60 8.612 -4.695 6.481 1.00 0.00 C ATOM 874 C GLY A 60 7.731 -3.553 6.016 1.00 0.00 C ATOM 875 O GLY A 60 6.851 -3.100 6.749 1.00 0.00 O ATOM 0 H GLY A 60 6.990 -5.478 7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.571 -4.298 6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.816 -5.358 5.640 1.00 0.00 H new ATOM 879 N PHE A 61 7.966 -3.085 4.795 1.00 0.00 N ATOM 880 CA PHE A 61 7.188 -1.987 4.234 1.00 0.00 C ATOM 881 C PHE A 61 7.122 -2.089 2.713 1.00 0.00 C ATOM 882 O PHE A 61 7.969 -2.723 2.084 1.00 0.00 O ATOM 883 CB PHE A 61 7.798 -0.643 4.640 1.00 0.00 C ATOM 884 CG PHE A 61 8.038 -0.516 6.117 1.00 0.00 C ATOM 885 CD1 PHE A 61 9.180 -1.046 6.694 1.00 0.00 C ATOM 886 CD2 PHE A 61 7.121 0.134 6.928 1.00 0.00 C ATOM 887 CE1 PHE A 61 9.405 -0.930 8.053 1.00 0.00 C ATOM 888 CE2 PHE A 61 7.341 0.253 8.287 1.00 0.00 C ATOM 889 CZ PHE A 61 8.483 -0.281 8.851 1.00 0.00 C ATOM 0 H PHE A 61 8.689 -3.449 4.175 1.00 0.00 H new ATOM 0 HA PHE A 61 6.174 -2.053 4.629 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.743 -0.508 4.113 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.135 0.160 4.317 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.903 -1.556 6.075 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.225 0.552 6.493 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.301 -1.346 8.490 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.620 0.764 8.908 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.655 -0.191 9.913 1.00 0.00 H new ATOM 899 N VAL A 62 6.107 -1.460 2.127 1.00 0.00 N ATOM 900 CA VAL A 62 5.929 -1.478 0.680 1.00 0.00 C ATOM 901 C VAL A 62 5.608 -0.086 0.148 1.00 0.00 C ATOM 902 O VAL A 62 4.486 0.399 0.289 1.00 0.00 O ATOM 903 CB VAL A 62 4.804 -2.446 0.266 1.00 0.00 C ATOM 904 CG1 VAL A 62 4.626 -2.443 -1.244 1.00 0.00 C ATOM 905 CG2 VAL A 62 5.096 -3.850 0.774 1.00 0.00 C ATOM 0 H VAL A 62 5.396 -0.932 2.633 1.00 0.00 H new ATOM 0 HA VAL A 62 6.870 -1.820 0.249 1.00 0.00 H new ATOM 0 HB VAL A 62 3.872 -2.107 0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.827 -3.132 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.368 -1.438 -1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.555 -2.756 -1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.291 -4.521 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.038 -4.201 0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.168 -3.836 1.862 1.00 0.00 H new ATOM 915 N GLU A 63 6.601 0.551 -0.464 1.00 0.00 N ATOM 916 CA GLU A 63 6.424 1.888 -1.018 1.00 0.00 C ATOM 917 C GLU A 63 5.753 1.826 -2.387 1.00 0.00 C ATOM 918 O GLU A 63 6.378 1.453 -3.380 1.00 0.00 O ATOM 919 CB GLU A 63 7.774 2.600 -1.131 1.00 0.00 C ATOM 920 CG GLU A 63 7.668 4.027 -1.642 1.00 0.00 C ATOM 921 CD GLU A 63 9.019 4.627 -1.982 1.00 0.00 C ATOM 922 OE1 GLU A 63 9.644 5.225 -1.081 1.00 0.00 O ATOM 923 OE2 GLU A 63 9.450 4.499 -3.146 1.00 0.00 O ATOM 0 H GLU A 63 7.536 0.163 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 63 5.780 2.451 -0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.254 2.608 -0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.421 2.031 -1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.033 4.045 -2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.180 4.644 -0.887 1.00 0.00 H new ATOM 930 N PHE A 64 4.477 2.194 -2.431 1.00 0.00 N ATOM 931 CA PHE A 64 3.720 2.179 -3.677 1.00 0.00 C ATOM 932 C PHE A 64 3.998 3.434 -4.498 1.00 0.00 C ATOM 933 O PHE A 64 4.522 4.423 -3.983 1.00 0.00 O ATOM 934 CB PHE A 64 2.222 2.067 -3.387 1.00 0.00 C ATOM 935 CG PHE A 64 1.754 0.655 -3.183 1.00 0.00 C ATOM 936 CD1 PHE A 64 1.405 -0.137 -4.265 1.00 0.00 C ATOM 937 CD2 PHE A 64 1.662 0.119 -1.908 1.00 0.00 C ATOM 938 CE1 PHE A 64 0.975 -1.438 -4.080 1.00 0.00 C ATOM 939 CE2 PHE A 64 1.233 -1.181 -1.718 1.00 0.00 C ATOM 940 CZ PHE A 64 0.888 -1.960 -2.805 1.00 0.00 C ATOM 0 H PHE A 64 3.946 2.506 -1.618 1.00 0.00 H new ATOM 0 HA PHE A 64 4.037 1.311 -4.255 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.988 2.651 -2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.666 2.509 -4.214 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.470 0.267 -5.265 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.928 0.724 -1.054 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.707 -2.045 -4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.168 -1.588 -0.720 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.551 -2.975 -2.658 1.00 0.00 H new ATOM 950 N LEU A 65 3.645 3.387 -5.778 1.00 0.00 N ATOM 951 CA LEU A 65 3.857 4.520 -6.672 1.00 0.00 C ATOM 952 C LEU A 65 3.029 5.723 -6.232 1.00 0.00 C ATOM 953 O LEU A 65 3.552 6.826 -6.076 1.00 0.00 O ATOM 954 CB LEU A 65 3.497 4.136 -8.108 1.00 0.00 C ATOM 955 CG LEU A 65 3.767 5.198 -9.175 1.00 0.00 C ATOM 956 CD1 LEU A 65 5.251 5.259 -9.504 1.00 0.00 C ATOM 957 CD2 LEU A 65 2.952 4.914 -10.428 1.00 0.00 C ATOM 0 H LEU A 65 3.211 2.577 -6.220 1.00 0.00 H new ATOM 0 HA LEU A 65 4.911 4.793 -6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.052 3.235 -8.372 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.438 3.879 -8.140 1.00 0.00 H new ATOM 0 HG LEU A 65 3.463 6.168 -8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.424 6.020 -10.265 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.813 5.511 -8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.581 4.290 -9.879 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.157 5.680 -11.176 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.224 3.936 -10.825 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.890 4.923 -10.181 1.00 0.00 H new ATOM 969 N SER A 66 1.733 5.502 -6.033 1.00 0.00 N ATOM 970 CA SER A 66 0.832 6.568 -5.612 1.00 0.00 C ATOM 971 C SER A 66 0.212 6.252 -4.255 1.00 0.00 C ATOM 972 O SER A 66 -0.054 5.093 -3.938 1.00 0.00 O ATOM 973 CB SER A 66 -0.270 6.774 -6.654 1.00 0.00 C ATOM 974 OG SER A 66 -0.554 5.567 -7.341 1.00 0.00 O ATOM 0 H SER A 66 1.284 4.594 -6.157 1.00 0.00 H new ATOM 0 HA SER A 66 1.413 7.486 -5.521 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.173 7.139 -6.165 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.038 7.538 -7.367 1.00 0.00 H new ATOM 0 HG SER A 66 -0.679 4.843 -6.692 1.00 0.00 H new ATOM 980 N GLU A 67 -0.017 7.291 -3.458 1.00 0.00 N ATOM 981 CA GLU A 67 -0.605 7.124 -2.135 1.00 0.00 C ATOM 982 C GLU A 67 -1.948 6.405 -2.223 1.00 0.00 C ATOM 983 O GLU A 67 -2.369 5.738 -1.279 1.00 0.00 O ATOM 984 CB GLU A 67 -0.785 8.484 -1.457 1.00 0.00 C ATOM 985 CG GLU A 67 -0.973 8.393 0.048 1.00 0.00 C ATOM 986 CD GLU A 67 -2.430 8.253 0.447 1.00 0.00 C ATOM 987 OE1 GLU A 67 -3.304 8.665 -0.344 1.00 0.00 O ATOM 988 OE2 GLU A 67 -2.695 7.730 1.550 1.00 0.00 O ATOM 0 H GLU A 67 0.196 8.257 -3.706 1.00 0.00 H new ATOM 0 HA GLU A 67 0.074 6.516 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.086 9.104 -1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.648 8.987 -1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.412 7.540 0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.556 9.284 0.517 1.00 0.00 H new ATOM 995 N GLU A 68 -2.615 6.548 -3.364 1.00 0.00 N ATOM 996 CA GLU A 68 -3.911 5.914 -3.575 1.00 0.00 C ATOM 997 C GLU A 68 -3.765 4.398 -3.672 1.00 0.00 C ATOM 998 O GLU A 68 -4.589 3.649 -3.146 1.00 0.00 O ATOM 999 CB GLU A 68 -4.568 6.456 -4.846 1.00 0.00 C ATOM 1000 CG GLU A 68 -4.890 7.940 -4.778 1.00 0.00 C ATOM 1001 CD GLU A 68 -5.988 8.254 -3.781 1.00 0.00 C ATOM 1002 OE1 GLU A 68 -6.853 7.382 -3.557 1.00 0.00 O ATOM 1003 OE2 GLU A 68 -5.982 9.372 -3.224 1.00 0.00 O ATOM 0 H GLU A 68 -2.280 7.097 -4.156 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.545 6.147 -2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.906 6.275 -5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.487 5.901 -5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.990 8.491 -4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.191 8.288 -5.766 1.00 0.00 H new ATOM 1010 N ASP A 69 -2.713 3.953 -4.349 1.00 0.00 N ATOM 1011 CA ASP A 69 -2.458 2.527 -4.516 1.00 0.00 C ATOM 1012 C ASP A 69 -2.197 1.860 -3.169 1.00 0.00 C ATOM 1013 O ASP A 69 -2.532 0.693 -2.968 1.00 0.00 O ATOM 1014 CB ASP A 69 -1.265 2.305 -5.448 1.00 0.00 C ATOM 1015 CG ASP A 69 -1.652 2.379 -6.912 1.00 0.00 C ATOM 1016 OD1 ASP A 69 -2.541 1.608 -7.329 1.00 0.00 O ATOM 1017 OD2 ASP A 69 -1.066 3.207 -7.640 1.00 0.00 O ATOM 0 H ASP A 69 -2.022 4.559 -4.791 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.345 2.075 -4.960 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.500 3.053 -5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.822 1.331 -5.241 1.00 0.00 H new ATOM 1022 N ALA A 70 -1.596 2.609 -2.250 1.00 0.00 N ATOM 1023 CA ALA A 70 -1.291 2.091 -0.922 1.00 0.00 C ATOM 1024 C ALA A 70 -2.560 1.649 -0.201 1.00 0.00 C ATOM 1025 O ALA A 70 -2.716 0.476 0.138 1.00 0.00 O ATOM 1026 CB ALA A 70 -0.555 3.141 -0.103 1.00 0.00 C ATOM 0 H ALA A 70 -1.311 3.577 -2.401 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.647 1.219 -1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.333 2.741 0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.376 3.406 -0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.180 4.029 -0.004 1.00 0.00 H new ATOM 1032 N ASP A 71 -3.463 2.595 0.031 1.00 0.00 N ATOM 1033 CA ASP A 71 -4.719 2.302 0.712 1.00 0.00 C ATOM 1034 C ASP A 71 -5.355 1.031 0.157 1.00 0.00 C ATOM 1035 O ASP A 71 -5.878 0.207 0.909 1.00 0.00 O ATOM 1036 CB ASP A 71 -5.688 3.477 0.568 1.00 0.00 C ATOM 1037 CG ASP A 71 -6.887 3.355 1.488 1.00 0.00 C ATOM 1038 OD1 ASP A 71 -6.724 2.823 2.606 1.00 0.00 O ATOM 1039 OD2 ASP A 71 -7.987 3.791 1.090 1.00 0.00 O ATOM 0 H ASP A 71 -3.349 3.571 -0.242 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.503 2.147 1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.162 4.407 0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.031 3.537 -0.465 1.00 0.00 H new ATOM 1044 N TYR A 72 -5.308 0.879 -1.161 1.00 0.00 N ATOM 1045 CA TYR A 72 -5.882 -0.289 -1.817 1.00 0.00 C ATOM 1046 C TYR A 72 -5.234 -1.573 -1.308 1.00 0.00 C ATOM 1047 O TYR A 72 -5.900 -2.595 -1.147 1.00 0.00 O ATOM 1048 CB TYR A 72 -5.710 -0.185 -3.334 1.00 0.00 C ATOM 1049 CG TYR A 72 -6.617 -1.112 -4.111 1.00 0.00 C ATOM 1050 CD1 TYR A 72 -6.421 -2.487 -4.089 1.00 0.00 C ATOM 1051 CD2 TYR A 72 -7.669 -0.612 -4.869 1.00 0.00 C ATOM 1052 CE1 TYR A 72 -7.247 -3.338 -4.798 1.00 0.00 C ATOM 1053 CE2 TYR A 72 -8.501 -1.455 -5.580 1.00 0.00 C ATOM 1054 CZ TYR A 72 -8.285 -2.817 -5.542 1.00 0.00 C ATOM 1055 OH TYR A 72 -9.111 -3.660 -6.250 1.00 0.00 O ATOM 0 H TYR A 72 -4.878 1.551 -1.797 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.945 -0.321 -1.580 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.903 0.842 -3.644 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.674 -0.406 -3.590 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.609 -2.898 -3.508 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.839 0.454 -4.903 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.081 -4.405 -4.770 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.316 -1.050 -6.162 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.791 -3.133 -6.719 1.00 0.00 H new ATOM 1065 N ALA A 73 -3.931 -1.511 -1.056 1.00 0.00 N ATOM 1066 CA ALA A 73 -3.193 -2.667 -0.562 1.00 0.00 C ATOM 1067 C ALA A 73 -3.458 -2.894 0.923 1.00 0.00 C ATOM 1068 O ALA A 73 -3.366 -4.020 1.414 1.00 0.00 O ATOM 1069 CB ALA A 73 -1.703 -2.487 -0.812 1.00 0.00 C ATOM 0 H ALA A 73 -3.365 -0.673 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.538 -3.547 -1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.164 -3.357 -0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.524 -2.381 -1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.353 -1.594 -0.295 1.00 0.00 H new ATOM 1075 N ILE A 74 -3.786 -1.819 1.632 1.00 0.00 N ATOM 1076 CA ILE A 74 -4.065 -1.903 3.060 1.00 0.00 C ATOM 1077 C ILE A 74 -5.461 -2.461 3.316 1.00 0.00 C ATOM 1078 O ILE A 74 -5.780 -2.879 4.429 1.00 0.00 O ATOM 1079 CB ILE A 74 -3.941 -0.526 3.739 1.00 0.00 C ATOM 1080 CG1 ILE A 74 -2.646 0.165 3.309 1.00 0.00 C ATOM 1081 CG2 ILE A 74 -3.991 -0.676 5.252 1.00 0.00 C ATOM 1082 CD1 ILE A 74 -2.664 1.664 3.513 1.00 0.00 C ATOM 0 H ILE A 74 -3.865 -0.880 1.241 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.324 -2.578 3.488 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.781 0.094 3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.814 -0.260 3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.462 -0.048 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.902 0.305 5.718 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.938 -1.131 5.541 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.168 -1.310 5.582 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.714 2.087 3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.475 2.101 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.816 1.886 4.569 1.00 0.00 H new ATOM 1094 N LYS A 75 -6.290 -2.465 2.278 1.00 0.00 N ATOM 1095 CA LYS A 75 -7.651 -2.974 2.387 1.00 0.00 C ATOM 1096 C LYS A 75 -7.709 -4.455 2.028 1.00 0.00 C ATOM 1097 O LYS A 75 -8.586 -5.183 2.495 1.00 0.00 O ATOM 1098 CB LYS A 75 -8.590 -2.180 1.476 1.00 0.00 C ATOM 1099 CG LYS A 75 -8.780 -2.806 0.105 1.00 0.00 C ATOM 1100 CD LYS A 75 -9.363 -1.812 -0.886 1.00 0.00 C ATOM 1101 CE LYS A 75 -10.878 -1.736 -0.773 1.00 0.00 C ATOM 1102 NZ LYS A 75 -11.548 -2.793 -1.579 1.00 0.00 N ATOM 0 H LYS A 75 -6.042 -2.121 1.350 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.974 -2.856 3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.561 -2.087 1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.197 -1.171 1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.822 -3.171 -0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.440 -3.670 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.934 -0.826 -0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.087 -2.102 -1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.170 -1.837 0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.218 -0.755 -1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.579 -2.707 -1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.290 -2.682 -2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.243 -3.730 -1.245 1.00 0.00 H new ATOM 1116 N ILE A 76 -6.771 -4.895 1.197 1.00 0.00 N ATOM 1117 CA ILE A 76 -6.714 -6.289 0.777 1.00 0.00 C ATOM 1118 C ILE A 76 -5.622 -7.045 1.527 1.00 0.00 C ATOM 1119 O ILE A 76 -5.800 -8.204 1.901 1.00 0.00 O ATOM 1120 CB ILE A 76 -6.461 -6.412 -0.737 1.00 0.00 C ATOM 1121 CG1 ILE A 76 -5.091 -5.834 -1.096 1.00 0.00 C ATOM 1122 CG2 ILE A 76 -7.560 -5.706 -1.517 1.00 0.00 C ATOM 1123 CD1 ILE A 76 -4.695 -6.068 -2.537 1.00 0.00 C ATOM 0 H ILE A 76 -6.039 -4.305 0.801 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.684 -6.728 1.011 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.471 -7.468 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.095 -4.762 -0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.337 -6.276 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.367 -5.802 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.523 -6.159 -1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.579 -4.651 -1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.713 -5.631 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.658 -7.139 -2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.428 -5.602 -3.196 1.00 0.00 H new ATOM 1135 N MET A 77 -4.492 -6.380 1.744 1.00 0.00 N ATOM 1136 CA MET A 77 -3.372 -6.988 2.452 1.00 0.00 C ATOM 1137 C MET A 77 -3.515 -6.801 3.959 1.00 0.00 C ATOM 1138 O MET A 77 -2.523 -6.769 4.687 1.00 0.00 O ATOM 1139 CB MET A 77 -2.050 -6.384 1.974 1.00 0.00 C ATOM 1140 CG MET A 77 -1.916 -6.335 0.461 1.00 0.00 C ATOM 1141 SD MET A 77 -2.330 -7.905 -0.324 1.00 0.00 S ATOM 1142 CE MET A 77 -0.833 -8.224 -1.254 1.00 0.00 C ATOM 0 H MET A 77 -4.328 -5.420 1.440 1.00 0.00 H new ATOM 0 HA MET A 77 -3.374 -8.056 2.235 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.957 -5.373 2.372 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.225 -6.965 2.385 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.566 -5.554 0.068 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.894 -6.061 0.199 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.694 -9.300 -1.362 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.914 -7.768 -2.241 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.021 -7.799 -0.726 1.00 0.00 H new ATOM 1152 N ASP A 78 -4.755 -6.677 4.420 1.00 0.00 N ATOM 1153 CA ASP A 78 -5.027 -6.493 5.841 1.00 0.00 C ATOM 1154 C ASP A 78 -5.315 -7.830 6.516 1.00 0.00 C ATOM 1155 O ASP A 78 -6.122 -8.621 6.030 1.00 0.00 O ATOM 1156 CB ASP A 78 -6.210 -5.544 6.037 1.00 0.00 C ATOM 1157 CG ASP A 78 -7.534 -6.278 6.122 1.00 0.00 C ATOM 1158 OD1 ASP A 78 -7.939 -6.892 5.112 1.00 0.00 O ATOM 1159 OD2 ASP A 78 -8.165 -6.239 7.199 1.00 0.00 O ATOM 0 H ASP A 78 -5.587 -6.701 3.831 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.141 -6.057 6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.060 -4.965 6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.244 -4.835 5.210 1.00 0.00 H new ATOM 1164 N MET A 79 -4.648 -8.076 7.640 1.00 0.00 N ATOM 1165 CA MET A 79 -4.833 -9.317 8.382 1.00 0.00 C ATOM 1166 C MET A 79 -4.870 -10.515 7.437 1.00 0.00 C ATOM 1167 O MET A 79 -5.712 -11.402 7.578 1.00 0.00 O ATOM 1168 CB MET A 79 -6.124 -9.260 9.201 1.00 0.00 C ATOM 1169 CG MET A 79 -5.932 -8.692 10.598 1.00 0.00 C ATOM 1170 SD MET A 79 -5.362 -9.929 11.779 1.00 0.00 S ATOM 1171 CE MET A 79 -3.960 -9.084 12.505 1.00 0.00 C ATOM 0 H MET A 79 -3.975 -7.432 8.056 1.00 0.00 H new ATOM 0 HA MET A 79 -3.987 -9.435 9.059 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.856 -8.653 8.668 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.539 -10.265 9.280 1.00 0.00 H new ATOM 0 HG2 MET A 79 -5.212 -7.875 10.558 1.00 0.00 H new ATOM 0 HG3 MET A 79 -6.874 -8.270 10.947 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.426 -9.767 13.166 1.00 0.00 H new ATOM 0 HE2 MET A 79 -3.290 -8.745 11.715 1.00 0.00 H new ATOM 0 HE3 MET A 79 -4.310 -8.225 13.077 1.00 0.00 H new ATOM 1181 N ILE A 80 -3.952 -10.533 6.476 1.00 0.00 N ATOM 1182 CA ILE A 80 -3.880 -11.622 5.510 1.00 0.00 C ATOM 1183 C ILE A 80 -3.239 -12.861 6.125 1.00 0.00 C ATOM 1184 O ILE A 80 -2.473 -12.766 7.084 1.00 0.00 O ATOM 1185 CB ILE A 80 -3.082 -11.212 4.258 1.00 0.00 C ATOM 1186 CG1 ILE A 80 -3.964 -10.401 3.307 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -2.529 -12.443 3.556 1.00 0.00 C ATOM 1188 CD1 ILE A 80 -3.461 -10.386 1.881 1.00 0.00 C ATOM 0 H ILE A 80 -3.248 -9.806 6.346 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.904 -11.853 5.218 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.244 -10.587 4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.974 -10.811 3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.030 -9.376 3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.968 -12.137 2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.870 -12.984 4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.352 -13.091 3.256 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.135 -9.793 1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.463 -9.949 1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.422 -11.406 1.498 1.00 0.00 H new ATOM 1200 N LYS A 81 -3.555 -14.024 5.566 1.00 0.00 N ATOM 1201 CA LYS A 81 -3.008 -15.283 6.056 1.00 0.00 C ATOM 1202 C LYS A 81 -1.949 -15.824 5.101 1.00 0.00 C ATOM 1203 O LYS A 81 -2.254 -16.597 4.192 1.00 0.00 O ATOM 1204 CB LYS A 81 -4.126 -16.314 6.232 1.00 0.00 C ATOM 1205 CG LYS A 81 -4.760 -16.293 7.612 1.00 0.00 C ATOM 1206 CD LYS A 81 -5.277 -17.666 8.009 1.00 0.00 C ATOM 1207 CE LYS A 81 -6.001 -17.624 9.346 1.00 0.00 C ATOM 1208 NZ LYS A 81 -6.239 -18.989 9.891 1.00 0.00 N ATOM 0 H LYS A 81 -4.188 -14.121 4.772 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.539 -15.096 7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.898 -16.132 5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.725 -17.309 6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.028 -15.953 8.345 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.581 -15.576 7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.953 -18.038 7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.444 -18.367 8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.414 -17.046 10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.954 -17.109 9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.734 -18.917 10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.821 -19.533 9.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.328 -19.471 10.029 1.00 0.00 H new ATOM 1222 N LEU A 82 -0.703 -15.415 5.314 1.00 0.00 N ATOM 1223 CA LEU A 82 0.403 -15.861 4.473 1.00 0.00 C ATOM 1224 C LEU A 82 1.232 -16.926 5.183 1.00 0.00 C ATOM 1225 O LEU A 82 1.338 -16.930 6.410 1.00 0.00 O ATOM 1226 CB LEU A 82 1.292 -14.675 4.096 1.00 0.00 C ATOM 1227 CG LEU A 82 2.399 -14.962 3.080 1.00 0.00 C ATOM 1228 CD1 LEU A 82 1.803 -15.410 1.754 1.00 0.00 C ATOM 1229 CD2 LEU A 82 3.276 -13.734 2.886 1.00 0.00 C ATOM 0 H LEU A 82 -0.433 -14.776 6.061 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.015 -16.297 3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.658 -13.883 3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.752 -14.288 5.005 1.00 0.00 H new ATOM 0 HG LEU A 82 3.021 -15.770 3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.605 -15.610 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.219 -16.317 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.158 -14.624 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.058 -13.956 2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.668 -12.906 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.732 -13.458 3.837 1.00 0.00 H new ATOM 1241 N TYR A 83 1.818 -17.828 4.404 1.00 0.00 N ATOM 1242 CA TYR A 83 2.638 -18.899 4.958 1.00 0.00 C ATOM 1243 C TYR A 83 2.279 -19.161 6.418 1.00 0.00 C ATOM 1244 O TYR A 83 3.140 -19.126 7.296 1.00 0.00 O ATOM 1245 CB TYR A 83 4.122 -18.547 4.841 1.00 0.00 C ATOM 1246 CG TYR A 83 4.540 -18.142 3.446 1.00 0.00 C ATOM 1247 CD1 TYR A 83 4.330 -18.987 2.363 1.00 0.00 C ATOM 1248 CD2 TYR A 83 5.145 -16.913 3.210 1.00 0.00 C ATOM 1249 CE1 TYR A 83 4.711 -18.621 1.087 1.00 0.00 C ATOM 1250 CE2 TYR A 83 5.528 -16.539 1.937 1.00 0.00 C ATOM 1251 CZ TYR A 83 5.310 -17.396 0.879 1.00 0.00 C ATOM 1252 OH TYR A 83 5.690 -17.027 -0.391 1.00 0.00 O ATOM 0 H TYR A 83 1.741 -17.839 3.387 1.00 0.00 H new ATOM 0 HA TYR A 83 2.441 -19.806 4.386 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.349 -17.733 5.530 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.716 -19.405 5.154 1.00 0.00 H new ATOM 0 HD1 TYR A 83 3.861 -19.947 2.522 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.318 -16.239 4.036 1.00 0.00 H new ATOM 0 HE1 TYR A 83 4.541 -19.290 0.257 1.00 0.00 H new ATOM 0 HE2 TYR A 83 5.996 -15.580 1.771 1.00 0.00 H new ATOM 0 HH TYR A 83 6.095 -16.135 -0.365 1.00 0.00 H new ATOM 1262 N GLY A 84 1.000 -19.424 6.668 1.00 0.00 N ATOM 1263 CA GLY A 84 0.548 -19.688 8.021 1.00 0.00 C ATOM 1264 C GLY A 84 0.968 -18.605 8.995 1.00 0.00 C ATOM 1265 O GLY A 84 1.739 -18.857 9.921 1.00 0.00 O ATOM 0 H GLY A 84 0.269 -19.459 5.957 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.538 -19.776 8.027 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.947 -20.646 8.354 1.00 0.00 H new ATOM 1269 N LYS A 85 0.463 -17.394 8.785 1.00 0.00 N ATOM 1270 CA LYS A 85 0.790 -16.267 9.650 1.00 0.00 C ATOM 1271 C LYS A 85 -0.077 -15.057 9.319 1.00 0.00 C ATOM 1272 O LYS A 85 -0.003 -14.491 8.228 1.00 0.00 O ATOM 1273 CB LYS A 85 2.270 -15.902 9.510 1.00 0.00 C ATOM 1274 CG LYS A 85 3.172 -16.636 10.486 1.00 0.00 C ATOM 1275 CD LYS A 85 4.389 -15.804 10.854 1.00 0.00 C ATOM 1276 CE LYS A 85 4.077 -14.825 11.975 1.00 0.00 C ATOM 1277 NZ LYS A 85 4.206 -15.459 13.317 1.00 0.00 N ATOM 0 H LYS A 85 -0.175 -17.168 8.022 1.00 0.00 H new ATOM 0 HA LYS A 85 0.591 -16.563 10.680 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.595 -16.121 8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.386 -14.828 9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.611 -16.881 11.388 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.495 -17.579 10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.202 -16.462 11.160 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.735 -15.257 9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.752 -13.972 11.910 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.065 -14.441 11.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.985 -14.759 14.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.544 -16.258 13.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.179 -15.803 13.446 1.00 0.00 H new ATOM 1291 N PRO A 86 -0.917 -14.648 10.281 1.00 0.00 N ATOM 1292 CA PRO A 86 -1.812 -13.499 10.114 1.00 0.00 C ATOM 1293 C PRO A 86 -1.056 -12.176 10.076 1.00 0.00 C ATOM 1294 O PRO A 86 -0.953 -11.480 11.087 1.00 0.00 O ATOM 1295 CB PRO A 86 -2.710 -13.567 11.352 1.00 0.00 C ATOM 1296 CG PRO A 86 -1.898 -14.290 12.370 1.00 0.00 C ATOM 1297 CD PRO A 86 -1.058 -15.275 11.606 1.00 0.00 C ATOM 0 HA PRO A 86 -2.358 -13.541 9.171 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.983 -12.570 11.698 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.639 -14.096 11.139 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.272 -13.598 12.933 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.538 -14.799 13.090 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.090 -15.431 12.082 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.542 -16.250 11.540 1.00 0.00 H new ATOM 1305 N ILE A 87 -0.530 -11.834 8.905 1.00 0.00 N ATOM 1306 CA ILE A 87 0.216 -10.593 8.737 1.00 0.00 C ATOM 1307 C ILE A 87 -0.639 -9.384 9.103 1.00 0.00 C ATOM 1308 O ILE A 87 -1.824 -9.519 9.409 1.00 0.00 O ATOM 1309 CB ILE A 87 0.720 -10.431 7.290 1.00 0.00 C ATOM 1310 CG1 ILE A 87 -0.459 -10.232 6.335 1.00 0.00 C ATOM 1311 CG2 ILE A 87 1.544 -11.642 6.878 1.00 0.00 C ATOM 1312 CD1 ILE A 87 -0.053 -9.706 4.976 1.00 0.00 C ATOM 0 H ILE A 87 -0.606 -12.398 8.059 1.00 0.00 H new ATOM 0 HA ILE A 87 1.073 -10.646 9.408 1.00 0.00 H new ATOM 0 HB ILE A 87 1.357 -9.548 7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.978 -11.182 6.208 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.169 -9.539 6.787 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.893 -11.513 5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.401 -11.742 7.544 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.929 -12.539 6.941 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.939 -9.589 4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.439 -8.740 5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.634 -10.409 4.504 1.00 0.00 H new ATOM 1324 N ARG A 88 -0.030 -8.203 9.068 1.00 0.00 N ATOM 1325 CA ARG A 88 -0.735 -6.970 9.396 1.00 0.00 C ATOM 1326 C ARG A 88 -0.242 -5.815 8.530 1.00 0.00 C ATOM 1327 O ARG A 88 0.960 -5.572 8.427 1.00 0.00 O ATOM 1328 CB ARG A 88 -0.548 -6.629 10.876 1.00 0.00 C ATOM 1329 CG ARG A 88 -1.155 -5.293 11.274 1.00 0.00 C ATOM 1330 CD ARG A 88 -2.645 -5.420 11.553 1.00 0.00 C ATOM 1331 NE ARG A 88 -3.223 -4.163 12.021 1.00 0.00 N ATOM 1332 CZ ARG A 88 -4.333 -4.089 12.746 1.00 0.00 C ATOM 1333 NH1 ARG A 88 -4.982 -5.195 13.085 1.00 0.00 N ATOM 1334 NH2 ARG A 88 -4.797 -2.908 13.135 1.00 0.00 N ATOM 0 H ARG A 88 0.950 -8.074 8.816 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.796 -7.123 9.197 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.996 -7.417 11.481 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.517 -6.617 11.106 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.649 -4.912 12.161 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.993 -4.567 10.477 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.158 -5.739 10.646 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.809 -6.195 12.301 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.748 -3.294 11.777 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.629 -6.105 12.789 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.834 -5.136 13.642 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.301 -2.055 12.877 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.650 -2.853 13.692 1.00 0.00 H new ATOM 1348 N VAL A 89 -1.179 -5.106 7.908 1.00 0.00 N ATOM 1349 CA VAL A 89 -0.840 -3.976 7.052 1.00 0.00 C ATOM 1350 C VAL A 89 -1.584 -2.717 7.482 1.00 0.00 C ATOM 1351 O VAL A 89 -2.750 -2.775 7.871 1.00 0.00 O ATOM 1352 CB VAL A 89 -1.167 -4.273 5.576 1.00 0.00 C ATOM 1353 CG1 VAL A 89 -0.937 -3.037 4.719 1.00 0.00 C ATOM 1354 CG2 VAL A 89 -0.337 -5.444 5.072 1.00 0.00 C ATOM 0 H VAL A 89 -2.179 -5.295 7.981 1.00 0.00 H new ATOM 0 HA VAL A 89 0.233 -3.813 7.154 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.220 -4.546 5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.173 -3.266 3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.579 -2.228 5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.106 -2.730 4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.581 -5.640 4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.722 -5.203 5.158 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.557 -6.329 5.668 1.00 0.00 H new ATOM 1364 N ASN A 90 -0.902 -1.579 7.410 1.00 0.00 N ATOM 1365 CA ASN A 90 -1.498 -0.304 7.793 1.00 0.00 C ATOM 1366 C ASN A 90 -0.640 0.863 7.315 1.00 0.00 C ATOM 1367 O ASN A 90 0.536 0.693 6.993 1.00 0.00 O ATOM 1368 CB ASN A 90 -1.673 -0.235 9.312 1.00 0.00 C ATOM 1369 CG ASN A 90 -2.155 1.126 9.776 1.00 0.00 C ATOM 1370 OD1 ASN A 90 -1.356 1.990 10.136 1.00 0.00 O ATOM 1371 ND2 ASN A 90 -3.469 1.321 9.771 1.00 0.00 N ATOM 0 H ASN A 90 0.064 -1.513 7.090 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.476 -0.231 7.318 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.385 -0.997 9.628 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.724 -0.466 9.795 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.853 2.216 10.074 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.094 0.576 9.464 1.00 0.00 H new ATOM 1378 N LYS A 91 -1.237 2.050 7.272 1.00 0.00 N ATOM 1379 CA LYS A 91 -0.529 3.247 6.835 1.00 0.00 C ATOM 1380 C LYS A 91 0.766 3.431 7.620 1.00 0.00 C ATOM 1381 O LYS A 91 0.744 3.605 8.838 1.00 0.00 O ATOM 1382 CB LYS A 91 -1.419 4.481 7.003 1.00 0.00 C ATOM 1383 CG LYS A 91 -2.321 4.747 5.810 1.00 0.00 C ATOM 1384 CD LYS A 91 -1.518 5.134 4.580 1.00 0.00 C ATOM 1385 CE LYS A 91 -2.421 5.614 3.453 1.00 0.00 C ATOM 1386 NZ LYS A 91 -3.386 4.562 3.030 1.00 0.00 N ATOM 0 H LYS A 91 -2.210 2.208 7.535 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.280 3.126 5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.035 4.356 7.893 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.788 5.353 7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.913 3.857 5.594 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.022 5.545 6.054 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.809 5.920 4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.935 4.278 4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.968 6.499 3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.811 5.911 2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.229 5.010 2.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.939 3.946 2.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.665 3.994 3.856 1.00 0.00 H new ATOM 1400 N ALA A 92 1.891 3.391 6.915 1.00 0.00 N ATOM 1401 CA ALA A 92 3.195 3.556 7.545 1.00 0.00 C ATOM 1402 C ALA A 92 3.210 4.775 8.461 1.00 0.00 C ATOM 1403 O ALA A 92 3.738 4.722 9.572 1.00 0.00 O ATOM 1404 CB ALA A 92 4.282 3.674 6.488 1.00 0.00 C ATOM 0 H ALA A 92 1.926 3.246 5.906 1.00 0.00 H new ATOM 0 HA ALA A 92 3.391 2.673 8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.250 3.797 6.974 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.295 2.772 5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.082 4.538 5.855 1.00 0.00 H new