USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 616 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 74 ASN :FLIP amide:sc= -0.0954 F(o=-1.8!,f=-0.11) USER MOD Set 1.2: A 93 SER OG : rot 131:sc= -0.0155 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.646 K(o=0.65,f=-5!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.666 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.384 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 142:sc= 0.47 USER MOD Single : A 62 SER OG : rot 125:sc= -2.15! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.084) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.0458 X(o=0.046,f=-0.0053) USER MOD Single : A 83 HIS : no HE2:sc= -0.292 X(o=-0.29,f=-0.63) USER MOD Single : A 91 LYS NZ :NH3+ -132:sc= -0.0327 (180deg=-0.311) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.71) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 271 N GLU A 21 -6.435 11.792 5.590 1.00 0.00 N ATOM 272 CA GLU A 21 -6.111 10.409 5.263 1.00 0.00 C ATOM 273 C GLU A 21 -7.330 9.683 4.702 1.00 0.00 C ATOM 274 O GLU A 21 -8.466 9.986 5.063 1.00 0.00 O ATOM 275 CB GLU A 21 -5.592 9.677 6.503 1.00 0.00 C ATOM 276 CG GLU A 21 -4.080 9.728 6.650 1.00 0.00 C ATOM 277 CD GLU A 21 -3.634 10.615 7.797 1.00 0.00 C ATOM 278 OE1 GLU A 21 -3.845 11.843 7.715 1.00 0.00 O ATOM 279 OE2 GLU A 21 -3.074 10.081 8.778 1.00 0.00 O ATOM 0 HA GLU A 21 -5.332 10.415 4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.050 10.113 7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.910 8.635 6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.700 8.719 6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.641 10.093 5.722 1.00 0.00 H new ATOM 286 N LYS A 22 -7.084 8.722 3.816 1.00 0.00 N ATOM 287 CA LYS A 22 -8.162 7.952 3.206 1.00 0.00 C ATOM 288 C LYS A 22 -7.762 6.489 3.045 1.00 0.00 C ATOM 289 O LYS A 22 -6.825 6.167 2.314 1.00 0.00 O ATOM 290 CB LYS A 22 -8.530 8.544 1.845 1.00 0.00 C ATOM 291 CG LYS A 22 -9.807 7.966 1.254 1.00 0.00 C ATOM 292 CD LYS A 22 -10.203 8.682 -0.028 1.00 0.00 C ATOM 293 CE LYS A 22 -9.835 7.868 -1.259 1.00 0.00 C ATOM 294 NZ LYS A 22 -11.034 7.277 -1.914 1.00 0.00 N ATOM 0 H LYS A 22 -6.149 8.459 3.505 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.029 8.002 3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.643 9.623 1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.708 8.373 1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.667 6.904 1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.615 8.047 1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.276 8.871 -0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.709 9.652 -0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.309 8.504 -1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.147 7.072 -0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.740 6.730 -2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.522 6.649 -1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.679 8.038 -2.208 1.00 0.00 H new ATOM 308 N LYS A 23 -8.479 5.606 3.733 1.00 0.00 N ATOM 309 CA LYS A 23 -8.200 4.176 3.665 1.00 0.00 C ATOM 310 C LYS A 23 -8.980 3.523 2.530 1.00 0.00 C ATOM 311 O LYS A 23 -10.206 3.429 2.579 1.00 0.00 O ATOM 312 CB LYS A 23 -8.550 3.504 4.994 1.00 0.00 C ATOM 313 CG LYS A 23 -7.847 2.174 5.207 1.00 0.00 C ATOM 314 CD LYS A 23 -7.940 1.720 6.654 1.00 0.00 C ATOM 315 CE LYS A 23 -6.688 2.086 7.435 1.00 0.00 C ATOM 316 NZ LYS A 23 -6.966 2.248 8.888 1.00 0.00 N ATOM 0 H LYS A 23 -9.257 5.855 4.344 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.135 4.047 3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.291 4.177 5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.628 3.347 5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.291 1.419 4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.799 2.265 4.920 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.810 2.177 7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.089 0.641 6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.933 1.312 7.294 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.272 3.013 7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.087 2.497 9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.667 3.004 9.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.339 1.356 9.272 1.00 0.00 H new ATOM 330 N VAL A 24 -8.261 3.073 1.506 1.00 0.00 N ATOM 331 CA VAL A 24 -8.886 2.429 0.359 1.00 0.00 C ATOM 332 C VAL A 24 -8.765 0.912 0.447 1.00 0.00 C ATOM 333 O VAL A 24 -7.731 0.340 0.102 1.00 0.00 O ATOM 334 CB VAL A 24 -8.257 2.905 -0.965 1.00 0.00 C ATOM 335 CG1 VAL A 24 -9.048 2.380 -2.153 1.00 0.00 C ATOM 336 CG2 VAL A 24 -8.174 4.423 -1.000 1.00 0.00 C ATOM 0 H VAL A 24 -7.245 3.143 1.449 1.00 0.00 H new ATOM 0 HA VAL A 24 -9.939 2.709 0.375 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.245 2.506 -1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.588 2.727 -3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.051 1.290 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.073 2.746 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.727 4.741 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.175 4.844 -0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.560 4.773 -0.171 1.00 0.00 H new ATOM 346 N ASN A 25 -9.829 0.264 0.912 1.00 0.00 N ATOM 347 CA ASN A 25 -9.843 -1.188 1.046 1.00 0.00 C ATOM 348 C ASN A 25 -10.428 -1.843 -0.200 1.00 0.00 C ATOM 349 O ASN A 25 -11.568 -1.570 -0.579 1.00 0.00 O ATOM 350 CB ASN A 25 -10.647 -1.600 2.280 1.00 0.00 C ATOM 351 CG ASN A 25 -12.039 -0.999 2.289 1.00 0.00 C ATOM 352 OD1 ASN A 25 -12.208 0.207 2.104 1.00 0.00 O ATOM 353 ND2 ASN A 25 -13.045 -1.838 2.507 1.00 0.00 N ATOM 0 H ASN A 25 -10.693 0.722 1.202 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.814 -1.527 1.163 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.723 -2.687 2.315 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.114 -1.289 3.178 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.004 -1.491 2.526 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.859 -2.830 2.655 1.00 0.00 H new ATOM 360 N LEU A 26 -9.643 -2.708 -0.833 1.00 0.00 N ATOM 361 CA LEU A 26 -10.083 -3.403 -2.037 1.00 0.00 C ATOM 362 C LEU A 26 -9.973 -4.914 -1.865 1.00 0.00 C ATOM 363 O LEU A 26 -9.048 -5.409 -1.220 1.00 0.00 O ATOM 364 CB LEU A 26 -9.256 -2.953 -3.242 1.00 0.00 C ATOM 365 CG LEU A 26 -9.302 -1.452 -3.536 1.00 0.00 C ATOM 366 CD1 LEU A 26 -8.129 -1.044 -4.413 1.00 0.00 C ATOM 367 CD2 LEU A 26 -10.620 -1.081 -4.197 1.00 0.00 C ATOM 0 H LEU A 26 -8.698 -2.945 -0.532 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.129 -3.151 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.218 -3.244 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.604 -3.491 -4.124 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.227 -0.912 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.178 0.027 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.195 -1.276 -3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.172 -1.590 -5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.637 -0.010 -4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.724 -1.629 -5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.445 -1.338 -3.533 1.00 0.00 H new ATOM 379 N VAL A 27 -10.921 -5.641 -2.445 1.00 0.00 N ATOM 380 CA VAL A 27 -10.929 -7.097 -2.358 1.00 0.00 C ATOM 381 C VAL A 27 -10.694 -7.731 -3.724 1.00 0.00 C ATOM 382 O VAL A 27 -11.496 -7.563 -4.643 1.00 0.00 O ATOM 383 CB VAL A 27 -12.262 -7.618 -1.785 1.00 0.00 C ATOM 384 CG1 VAL A 27 -12.179 -9.112 -1.515 1.00 0.00 C ATOM 385 CG2 VAL A 27 -12.633 -6.858 -0.520 1.00 0.00 C ATOM 0 H VAL A 27 -11.694 -5.246 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.118 -7.378 -1.686 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.045 -7.450 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.129 -9.462 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.964 -9.638 -2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.384 -9.308 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.577 -7.239 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.851 -6.992 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.738 -5.798 -0.750 1.00 0.00 H new ATOM 395 N LEU A 28 -9.591 -8.460 -3.851 1.00 0.00 N ATOM 396 CA LEU A 28 -9.250 -9.120 -5.106 1.00 0.00 C ATOM 397 C LEU A 28 -9.699 -10.578 -5.094 1.00 0.00 C ATOM 398 O LEU A 28 -9.984 -11.141 -4.037 1.00 0.00 O ATOM 399 CB LEU A 28 -7.743 -9.039 -5.355 1.00 0.00 C ATOM 400 CG LEU A 28 -7.139 -7.640 -5.223 1.00 0.00 C ATOM 401 CD1 LEU A 28 -5.620 -7.711 -5.229 1.00 0.00 C ATOM 402 CD2 LEU A 28 -7.637 -6.737 -6.343 1.00 0.00 C ATOM 0 H LEU A 28 -8.917 -8.609 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.772 -8.605 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.238 -9.704 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.535 -9.415 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.458 -7.216 -4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.208 -6.706 -5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.281 -8.322 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.280 -8.155 -6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.197 -5.746 -6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.348 -7.158 -7.306 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.723 -6.660 -6.292 1.00 0.00 H new ATOM 464 N SER A 33 -6.071 -7.215 -9.830 1.00 0.00 N ATOM 465 CA SER A 33 -5.012 -6.241 -9.592 1.00 0.00 C ATOM 466 C SER A 33 -5.588 -4.837 -9.443 1.00 0.00 C ATOM 467 O SER A 33 -6.786 -4.623 -9.633 1.00 0.00 O ATOM 468 CB SER A 33 -3.997 -6.270 -10.737 1.00 0.00 C ATOM 469 OG SER A 33 -3.072 -7.331 -10.572 1.00 0.00 O ATOM 0 HA SER A 33 -4.509 -6.508 -8.663 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.519 -6.383 -11.687 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.463 -5.321 -10.778 1.00 0.00 H new ATOM 0 HG SER A 33 -2.435 -7.329 -11.317 1.00 0.00 H new ATOM 475 N LEU A 34 -4.728 -3.882 -9.104 1.00 0.00 N ATOM 476 CA LEU A 34 -5.151 -2.499 -8.930 1.00 0.00 C ATOM 477 C LEU A 34 -5.023 -1.722 -10.236 1.00 0.00 C ATOM 478 O LEU A 34 -5.809 -0.815 -10.511 1.00 0.00 O ATOM 479 CB LEU A 34 -4.320 -1.822 -7.838 1.00 0.00 C ATOM 480 CG LEU A 34 -4.356 -2.515 -6.475 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.019 -2.367 -5.765 1.00 0.00 C ATOM 482 CD2 LEU A 34 -5.481 -1.950 -5.620 1.00 0.00 C ATOM 0 H LEU A 34 -3.733 -4.042 -8.944 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.199 -2.502 -8.631 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.284 -1.766 -8.173 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.672 -0.797 -7.717 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.544 -3.577 -6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.064 -2.866 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.233 -2.819 -6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.800 -1.309 -5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.492 -2.454 -4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.323 -0.882 -5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.435 -2.108 -6.123 1.00 0.00 H new ATOM 494 N GLY A 35 -4.027 -2.084 -11.039 1.00 0.00 N ATOM 495 CA GLY A 35 -3.814 -1.411 -12.306 1.00 0.00 C ATOM 496 C GLY A 35 -3.353 0.023 -12.130 1.00 0.00 C ATOM 497 O GLY A 35 -3.674 0.889 -12.944 1.00 0.00 O ATOM 0 H GLY A 35 -3.364 -2.832 -10.834 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.071 -1.960 -12.885 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.740 -1.424 -12.881 1.00 0.00 H new ATOM 501 N LEU A 36 -2.599 0.273 -11.065 1.00 0.00 N ATOM 502 CA LEU A 36 -2.093 1.611 -10.783 1.00 0.00 C ATOM 503 C LEU A 36 -0.589 1.686 -11.028 1.00 0.00 C ATOM 504 O LEU A 36 0.179 0.894 -10.482 1.00 0.00 O ATOM 505 CB LEU A 36 -2.406 2.004 -9.338 1.00 0.00 C ATOM 506 CG LEU A 36 -3.895 2.127 -9.009 1.00 0.00 C ATOM 507 CD1 LEU A 36 -4.089 2.518 -7.552 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.560 3.140 -9.928 1.00 0.00 C ATOM 0 H LEU A 36 -2.325 -0.434 -10.383 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.589 2.309 -11.457 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.962 1.264 -8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.922 2.957 -9.124 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.365 1.157 -9.169 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.154 2.601 -7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.647 1.757 -6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.605 3.477 -7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.619 3.215 -9.681 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.087 4.114 -9.799 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.451 2.818 -10.964 1.00 0.00 H new ATOM 520 N THR A 37 -0.175 2.642 -11.852 1.00 0.00 N ATOM 521 CA THR A 37 1.236 2.821 -12.169 1.00 0.00 C ATOM 522 C THR A 37 1.929 3.670 -11.108 1.00 0.00 C ATOM 523 O THR A 37 2.060 4.885 -11.260 1.00 0.00 O ATOM 524 CB THR A 37 1.394 3.473 -13.544 1.00 0.00 C ATOM 525 OG1 THR A 37 0.512 2.883 -14.482 1.00 0.00 O ATOM 526 CG2 THR A 37 2.797 3.364 -14.100 1.00 0.00 C ATOM 0 H THR A 37 -0.798 3.305 -12.313 1.00 0.00 H new ATOM 0 HA THR A 37 1.706 1.838 -12.185 1.00 0.00 H new ATOM 0 HB THR A 37 1.162 4.527 -13.393 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.626 3.314 -15.355 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.840 3.846 -15.077 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.496 3.854 -13.422 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.067 2.313 -14.202 1.00 0.00 H new ATOM 534 N ILE A 38 2.370 3.023 -10.035 1.00 0.00 N ATOM 535 CA ILE A 38 3.050 3.720 -8.949 1.00 0.00 C ATOM 536 C ILE A 38 4.486 4.060 -9.327 1.00 0.00 C ATOM 537 O ILE A 38 5.099 3.383 -10.153 1.00 0.00 O ATOM 538 CB ILE A 38 3.056 2.879 -7.658 1.00 0.00 C ATOM 539 CG1 ILE A 38 3.714 1.521 -7.911 1.00 0.00 C ATOM 540 CG2 ILE A 38 1.639 2.697 -7.137 1.00 0.00 C ATOM 541 CD1 ILE A 38 4.339 0.913 -6.675 1.00 0.00 C ATOM 0 H ILE A 38 2.269 2.018 -9.894 1.00 0.00 H new ATOM 0 HA ILE A 38 2.497 4.642 -8.771 1.00 0.00 H new ATOM 0 HB ILE A 38 3.635 3.408 -6.901 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.967 0.833 -8.307 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.481 1.635 -8.677 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.661 2.101 -6.225 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.202 3.672 -6.923 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.037 2.187 -7.889 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.786 -0.048 -6.929 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.109 1.582 -6.290 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.572 0.767 -5.914 1.00 0.00 H new ATOM 553 N ARG A 39 5.020 5.113 -8.717 1.00 0.00 N ATOM 554 CA ARG A 39 6.386 5.544 -8.989 1.00 0.00 C ATOM 555 C ARG A 39 7.141 5.811 -7.690 1.00 0.00 C ATOM 556 O ARG A 39 6.544 5.865 -6.614 1.00 0.00 O ATOM 557 CB ARG A 39 6.383 6.803 -9.858 1.00 0.00 C ATOM 558 CG ARG A 39 5.513 7.921 -9.306 1.00 0.00 C ATOM 559 CD ARG A 39 6.265 8.756 -8.283 1.00 0.00 C ATOM 560 NE ARG A 39 5.949 10.178 -8.397 1.00 0.00 N ATOM 561 CZ ARG A 39 6.476 10.982 -9.317 1.00 0.00 C ATOM 562 NH1 ARG A 39 7.343 10.510 -10.203 1.00 0.00 N ATOM 563 NH2 ARG A 39 6.134 12.263 -9.351 1.00 0.00 N ATOM 0 H ARG A 39 4.527 5.684 -8.030 1.00 0.00 H new ATOM 0 HA ARG A 39 6.893 4.742 -9.525 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.406 7.166 -9.960 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.036 6.543 -10.858 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.177 8.560 -10.123 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.621 7.496 -8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.018 8.409 -7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.337 8.611 -8.415 1.00 0.00 H new ATOM 0 HE ARG A 39 5.286 10.578 -7.733 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.609 9.526 -10.182 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.743 11.131 -10.906 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.468 12.631 -8.672 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.537 12.880 -10.056 1.00 0.00 H new ATOM 577 N GLY A 40 8.454 5.978 -7.799 1.00 0.00 N ATOM 578 CA GLY A 40 9.268 6.238 -6.625 1.00 0.00 C ATOM 579 C GLY A 40 9.607 4.972 -5.862 1.00 0.00 C ATOM 580 O GLY A 40 8.993 3.927 -6.078 1.00 0.00 O ATOM 0 H GLY A 40 8.970 5.938 -8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.190 6.733 -6.929 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.739 6.926 -5.965 1.00 0.00 H new ATOM 584 N GLY A 41 10.586 5.066 -4.968 1.00 0.00 N ATOM 585 CA GLY A 41 10.987 3.912 -4.185 1.00 0.00 C ATOM 586 C GLY A 41 12.168 4.209 -3.280 1.00 0.00 C ATOM 587 O GLY A 41 12.763 5.283 -3.357 1.00 0.00 O ATOM 0 H GLY A 41 11.108 5.920 -4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.145 3.576 -3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.244 3.093 -4.856 1.00 0.00 H new ATOM 591 N ALA A 42 12.507 3.253 -2.421 1.00 0.00 N ATOM 592 CA ALA A 42 13.624 3.416 -1.498 1.00 0.00 C ATOM 593 C ALA A 42 14.954 3.420 -2.243 1.00 0.00 C ATOM 594 O ALA A 42 15.898 4.103 -1.844 1.00 0.00 O ATOM 595 CB ALA A 42 13.607 2.314 -0.451 1.00 0.00 C ATOM 0 H ALA A 42 12.024 2.358 -2.345 1.00 0.00 H new ATOM 0 HA ALA A 42 13.514 4.379 -0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.446 2.448 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.673 2.359 0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.690 1.344 -0.942 1.00 0.00 H new ATOM 601 N GLU A 43 15.023 2.652 -3.326 1.00 0.00 N ATOM 602 CA GLU A 43 16.239 2.568 -4.127 1.00 0.00 C ATOM 603 C GLU A 43 16.619 3.936 -4.684 1.00 0.00 C ATOM 604 O GLU A 43 17.800 4.269 -4.786 1.00 0.00 O ATOM 605 CB GLU A 43 16.051 1.572 -5.272 1.00 0.00 C ATOM 606 CG GLU A 43 17.352 1.173 -5.950 1.00 0.00 C ATOM 607 CD GLU A 43 17.147 0.718 -7.382 1.00 0.00 C ATOM 608 OE1 GLU A 43 16.054 0.196 -7.688 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.079 0.883 -8.197 1.00 0.00 O ATOM 0 H GLU A 43 14.252 2.079 -3.669 1.00 0.00 H new ATOM 0 HA GLU A 43 17.047 2.222 -3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.562 0.677 -4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.382 2.007 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.039 2.019 -5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.823 0.371 -5.382 1.00 0.00 H new ATOM 616 N TYR A 44 15.611 4.724 -5.043 1.00 0.00 N ATOM 617 CA TYR A 44 15.840 6.056 -5.589 1.00 0.00 C ATOM 618 C TYR A 44 15.741 7.116 -4.497 1.00 0.00 C ATOM 619 O TYR A 44 16.409 8.148 -4.558 1.00 0.00 O ATOM 620 CB TYR A 44 14.829 6.354 -6.699 1.00 0.00 C ATOM 621 CG TYR A 44 14.924 5.409 -7.876 1.00 0.00 C ATOM 622 CD1 TYR A 44 15.953 5.524 -8.803 1.00 0.00 C ATOM 623 CD2 TYR A 44 13.985 4.402 -8.059 1.00 0.00 C ATOM 624 CE1 TYR A 44 16.041 4.662 -9.880 1.00 0.00 C ATOM 625 CE2 TYR A 44 14.068 3.535 -9.132 1.00 0.00 C ATOM 626 CZ TYR A 44 15.098 3.670 -10.039 1.00 0.00 C ATOM 627 OH TYR A 44 15.183 2.809 -11.110 1.00 0.00 O ATOM 0 H TYR A 44 14.628 4.463 -4.966 1.00 0.00 H new ATOM 0 HA TYR A 44 16.847 6.083 -6.006 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.822 6.304 -6.284 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.979 7.375 -7.051 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.695 6.299 -8.680 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.177 4.295 -7.351 1.00 0.00 H new ATOM 0 HE1 TYR A 44 16.845 4.766 -10.594 1.00 0.00 H new ATOM 0 HE2 TYR A 44 13.331 2.756 -9.259 1.00 0.00 H new ATOM 0 HH TYR A 44 14.442 2.168 -11.074 1.00 0.00 H new ATOM 637 N GLY A 45 14.903 6.854 -3.500 1.00 0.00 N ATOM 638 CA GLY A 45 14.733 7.795 -2.409 1.00 0.00 C ATOM 639 C GLY A 45 13.492 8.651 -2.569 1.00 0.00 C ATOM 640 O GLY A 45 13.444 9.782 -2.087 1.00 0.00 O ATOM 0 H GLY A 45 14.339 6.007 -3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.675 7.248 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.610 8.440 -2.349 1.00 0.00 H new ATOM 644 N LEU A 46 12.486 8.109 -3.248 1.00 0.00 N ATOM 645 CA LEU A 46 11.238 8.830 -3.470 1.00 0.00 C ATOM 646 C LEU A 46 10.058 8.075 -2.866 1.00 0.00 C ATOM 647 O LEU A 46 10.088 6.851 -2.746 1.00 0.00 O ATOM 648 CB LEU A 46 11.008 9.042 -4.968 1.00 0.00 C ATOM 649 CG LEU A 46 9.700 9.748 -5.328 1.00 0.00 C ATOM 650 CD1 LEU A 46 9.746 11.208 -4.907 1.00 0.00 C ATOM 651 CD2 LEU A 46 9.426 9.630 -6.820 1.00 0.00 C ATOM 0 H LEU A 46 12.511 7.173 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 46 11.316 9.800 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.839 9.622 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.028 8.072 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 46 8.887 9.263 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.806 11.693 -5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.896 11.271 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.569 11.708 -5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.492 10.138 -7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.242 10.090 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.348 8.578 -7.093 1.00 0.00 H new ATOM 663 N GLY A 47 9.021 8.815 -2.486 1.00 0.00 N ATOM 664 CA GLY A 47 7.847 8.199 -1.898 1.00 0.00 C ATOM 665 C GLY A 47 7.087 7.336 -2.887 1.00 0.00 C ATOM 666 O GLY A 47 7.518 7.161 -4.027 1.00 0.00 O ATOM 0 H GLY A 47 8.973 9.830 -2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.149 7.590 -1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.186 8.977 -1.516 1.00 0.00 H new ATOM 670 N ILE A 48 5.953 6.798 -2.451 1.00 0.00 N ATOM 671 CA ILE A 48 5.131 5.950 -3.306 1.00 0.00 C ATOM 672 C ILE A 48 3.916 6.709 -3.826 1.00 0.00 C ATOM 673 O ILE A 48 2.895 6.807 -3.144 1.00 0.00 O ATOM 674 CB ILE A 48 4.656 4.690 -2.558 1.00 0.00 C ATOM 675 CG1 ILE A 48 5.834 4.007 -1.863 1.00 0.00 C ATOM 676 CG2 ILE A 48 3.971 3.730 -3.519 1.00 0.00 C ATOM 677 CD1 ILE A 48 6.874 3.470 -2.822 1.00 0.00 C ATOM 0 H ILE A 48 5.582 6.934 -1.511 1.00 0.00 H new ATOM 0 HA ILE A 48 5.755 5.649 -4.147 1.00 0.00 H new ATOM 0 HB ILE A 48 3.934 4.988 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.308 4.718 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.458 3.187 -1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.641 2.845 -2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.109 4.221 -3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.672 3.436 -4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.680 2.999 -2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.415 2.734 -3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.278 4.289 -3.417 1.00 0.00 H new ATOM 689 N TYR A 49 4.032 7.244 -5.037 1.00 0.00 N ATOM 690 CA TYR A 49 2.941 7.993 -5.649 1.00 0.00 C ATOM 691 C TYR A 49 2.292 7.192 -6.771 1.00 0.00 C ATOM 692 O TYR A 49 2.660 6.044 -7.020 1.00 0.00 O ATOM 693 CB TYR A 49 3.454 9.328 -6.191 1.00 0.00 C ATOM 694 CG TYR A 49 4.264 10.120 -5.189 1.00 0.00 C ATOM 695 CD1 TYR A 49 5.531 9.700 -4.804 1.00 0.00 C ATOM 696 CD2 TYR A 49 3.762 11.288 -4.628 1.00 0.00 C ATOM 697 CE1 TYR A 49 6.275 10.420 -3.888 1.00 0.00 C ATOM 698 CE2 TYR A 49 4.499 12.013 -3.712 1.00 0.00 C ATOM 699 CZ TYR A 49 5.754 11.576 -3.345 1.00 0.00 C ATOM 700 OH TYR A 49 6.491 12.296 -2.433 1.00 0.00 O ATOM 0 H TYR A 49 4.870 7.173 -5.614 1.00 0.00 H new ATOM 0 HA TYR A 49 2.190 8.183 -4.883 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.066 9.141 -7.073 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.604 9.929 -6.515 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.942 8.795 -5.228 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.780 11.635 -4.913 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.258 10.079 -3.599 1.00 0.00 H new ATOM 0 HE2 TYR A 49 4.094 12.918 -3.285 1.00 0.00 H new ATOM 0 HH TYR A 49 5.981 13.083 -2.149 1.00 0.00 H new ATOM 710 N ILE A 50 1.323 7.803 -7.445 1.00 0.00 N ATOM 711 CA ILE A 50 0.623 7.146 -8.541 1.00 0.00 C ATOM 712 C ILE A 50 0.604 8.025 -9.787 1.00 0.00 C ATOM 713 O ILE A 50 0.327 9.223 -9.709 1.00 0.00 O ATOM 714 CB ILE A 50 -0.827 6.795 -8.154 1.00 0.00 C ATOM 715 CG1 ILE A 50 -0.859 6.072 -6.803 1.00 0.00 C ATOM 716 CG2 ILE A 50 -1.473 5.941 -9.235 1.00 0.00 C ATOM 717 CD1 ILE A 50 -1.632 6.820 -5.738 1.00 0.00 C ATOM 0 H ILE A 50 1.005 8.753 -7.251 1.00 0.00 H new ATOM 0 HA ILE A 50 1.167 6.226 -8.755 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.396 7.720 -8.062 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.303 5.086 -6.938 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.163 5.917 -6.458 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.497 5.702 -8.946 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.480 6.490 -10.177 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.906 5.018 -9.357 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.614 6.251 -4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.176 7.796 -5.575 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.664 6.952 -6.063 1.00 0.00 H new ATOM 729 N THR A 51 0.900 7.424 -10.934 1.00 0.00 N ATOM 730 CA THR A 51 0.918 8.154 -12.197 1.00 0.00 C ATOM 731 C THR A 51 0.329 7.310 -13.322 1.00 0.00 C ATOM 732 O THR A 51 0.780 7.379 -14.465 1.00 0.00 O ATOM 733 CB THR A 51 2.347 8.569 -12.549 1.00 0.00 C ATOM 734 OG1 THR A 51 3.266 7.551 -12.197 1.00 0.00 O ATOM 735 CG2 THR A 51 2.787 9.844 -11.861 1.00 0.00 C ATOM 0 H THR A 51 1.131 6.434 -11.016 1.00 0.00 H new ATOM 0 HA THR A 51 0.306 9.048 -12.080 1.00 0.00 H new ATOM 0 HB THR A 51 2.341 8.740 -13.625 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.174 7.835 -12.432 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.810 10.081 -12.154 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.127 10.661 -12.152 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.742 9.709 -10.780 1.00 0.00 H new ATOM 743 N GLY A 52 -0.682 6.513 -12.990 1.00 0.00 N ATOM 744 CA GLY A 52 -1.315 5.667 -13.984 1.00 0.00 C ATOM 745 C GLY A 52 -2.509 4.914 -13.429 1.00 0.00 C ATOM 746 O GLY A 52 -2.447 4.359 -12.333 1.00 0.00 O ATOM 0 H GLY A 52 -1.073 6.438 -12.051 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.635 6.279 -14.827 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.585 4.954 -14.367 1.00 0.00 H new ATOM 750 N VAL A 53 -3.599 4.896 -14.189 1.00 0.00 N ATOM 751 CA VAL A 53 -4.813 4.206 -13.768 1.00 0.00 C ATOM 752 C VAL A 53 -5.406 3.391 -14.913 1.00 0.00 C ATOM 753 O VAL A 53 -5.671 3.921 -15.992 1.00 0.00 O ATOM 754 CB VAL A 53 -5.874 5.197 -13.255 1.00 0.00 C ATOM 755 CG1 VAL A 53 -7.043 4.451 -12.629 1.00 0.00 C ATOM 756 CG2 VAL A 53 -5.260 6.170 -12.260 1.00 0.00 C ATOM 0 H VAL A 53 -3.667 5.351 -15.099 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.531 3.536 -12.956 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.250 5.769 -14.103 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.783 5.168 -12.272 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.499 3.799 -13.374 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.686 3.851 -11.792 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.025 6.862 -11.909 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.855 5.617 -11.413 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.460 6.729 -12.745 1.00 0.00 H new ATOM 766 N ASP A 54 -5.612 2.101 -14.671 1.00 0.00 N ATOM 767 CA ASP A 54 -6.173 1.214 -15.682 1.00 0.00 C ATOM 768 C ASP A 54 -7.650 1.524 -15.919 1.00 0.00 C ATOM 769 O ASP A 54 -8.385 1.829 -14.979 1.00 0.00 O ATOM 770 CB ASP A 54 -6.009 -0.247 -15.258 1.00 0.00 C ATOM 771 CG ASP A 54 -4.718 -0.855 -15.770 1.00 0.00 C ATOM 772 OD1 ASP A 54 -3.669 -0.657 -15.120 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.754 -1.530 -16.820 1.00 0.00 O ATOM 0 H ASP A 54 -5.399 1.647 -13.783 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.631 1.378 -16.613 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.032 -0.312 -14.170 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.853 -0.827 -15.630 1.00 0.00 H new ATOM 778 N PRO A 55 -8.107 1.449 -17.181 1.00 0.00 N ATOM 779 CA PRO A 55 -9.504 1.724 -17.532 1.00 0.00 C ATOM 780 C PRO A 55 -10.437 0.586 -17.129 1.00 0.00 C ATOM 781 O PRO A 55 -10.793 -0.259 -17.950 1.00 0.00 O ATOM 782 CB PRO A 55 -9.460 1.867 -19.052 1.00 0.00 C ATOM 783 CG PRO A 55 -8.316 1.014 -19.476 1.00 0.00 C ATOM 784 CD PRO A 55 -7.301 1.092 -18.366 1.00 0.00 C ATOM 0 HA PRO A 55 -9.891 2.603 -17.017 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.393 1.535 -19.509 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.312 2.905 -19.348 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.637 -0.015 -19.639 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.893 1.369 -20.416 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.784 0.142 -18.228 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.538 1.843 -18.573 1.00 0.00 H new ATOM 792 N GLY A 56 -10.829 0.571 -15.859 1.00 0.00 N ATOM 793 CA GLY A 56 -11.717 -0.468 -15.370 1.00 0.00 C ATOM 794 C GLY A 56 -11.053 -1.364 -14.344 1.00 0.00 C ATOM 795 O GLY A 56 -11.241 -2.580 -14.357 1.00 0.00 O ATOM 0 H GLY A 56 -10.548 1.259 -15.160 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.601 -0.008 -14.928 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.059 -1.074 -16.209 1.00 0.00 H new ATOM 799 N SER A 57 -10.272 -0.762 -13.451 1.00 0.00 N ATOM 800 CA SER A 57 -9.578 -1.515 -12.413 1.00 0.00 C ATOM 801 C SER A 57 -10.291 -1.375 -11.072 1.00 0.00 C ATOM 802 O SER A 57 -11.309 -0.693 -10.967 1.00 0.00 O ATOM 803 CB SER A 57 -8.131 -1.033 -12.287 1.00 0.00 C ATOM 804 OG SER A 57 -8.076 0.290 -11.785 1.00 0.00 O ATOM 0 H SER A 57 -10.105 0.244 -13.426 1.00 0.00 H new ATOM 0 HA SER A 57 -9.580 -2.567 -12.698 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.579 -1.700 -11.625 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.644 -1.076 -13.261 1.00 0.00 H new ATOM 0 HG SER A 57 -7.315 0.377 -11.174 1.00 0.00 H new ATOM 810 N GLU A 58 -9.748 -2.027 -10.049 1.00 0.00 N ATOM 811 CA GLU A 58 -10.333 -1.976 -8.714 1.00 0.00 C ATOM 812 C GLU A 58 -10.023 -0.646 -8.033 1.00 0.00 C ATOM 813 O GLU A 58 -10.800 -0.163 -7.211 1.00 0.00 O ATOM 814 CB GLU A 58 -9.809 -3.134 -7.860 1.00 0.00 C ATOM 815 CG GLU A 58 -10.678 -4.379 -7.927 1.00 0.00 C ATOM 816 CD GLU A 58 -11.888 -4.296 -7.017 1.00 0.00 C ATOM 817 OE1 GLU A 58 -12.834 -3.554 -7.354 1.00 0.00 O ATOM 818 OE2 GLU A 58 -11.888 -4.971 -5.966 1.00 0.00 O ATOM 0 H GLU A 58 -8.905 -2.596 -10.119 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.414 -2.068 -8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.800 -3.387 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.737 -2.806 -6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.010 -4.531 -8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.081 -5.249 -7.653 1.00 0.00 H new ATOM 825 N ALA A 59 -8.882 -0.060 -8.382 1.00 0.00 N ATOM 826 CA ALA A 59 -8.470 1.214 -7.805 1.00 0.00 C ATOM 827 C ALA A 59 -9.258 2.370 -8.411 1.00 0.00 C ATOM 828 O ALA A 59 -9.525 3.370 -7.743 1.00 0.00 O ATOM 829 CB ALA A 59 -6.977 1.426 -8.007 1.00 0.00 C ATOM 0 H ALA A 59 -8.227 -0.447 -9.061 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.680 1.187 -6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.683 2.381 -7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.426 0.621 -7.521 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.751 1.429 -9.073 1.00 0.00 H new ATOM 835 N GLU A 60 -9.626 2.228 -9.680 1.00 0.00 N ATOM 836 CA GLU A 60 -10.384 3.260 -10.376 1.00 0.00 C ATOM 837 C GLU A 60 -11.788 3.389 -9.797 1.00 0.00 C ATOM 838 O GLU A 60 -12.271 4.495 -9.552 1.00 0.00 O ATOM 839 CB GLU A 60 -10.463 2.943 -11.871 1.00 0.00 C ATOM 840 CG GLU A 60 -11.221 3.986 -12.676 1.00 0.00 C ATOM 841 CD GLU A 60 -10.439 5.274 -12.843 1.00 0.00 C ATOM 842 OE1 GLU A 60 -9.921 5.791 -11.830 1.00 0.00 O ATOM 843 OE2 GLU A 60 -10.345 5.768 -13.987 1.00 0.00 O ATOM 0 H GLU A 60 -9.411 1.408 -10.247 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.867 4.210 -10.239 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.452 2.854 -12.269 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.944 1.974 -12.003 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.458 3.579 -13.659 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.169 4.202 -12.183 1.00 0.00 H new ATOM 850 N GLY A 61 -12.440 2.251 -9.580 1.00 0.00 N ATOM 851 CA GLY A 61 -13.783 2.259 -9.032 1.00 0.00 C ATOM 852 C GLY A 61 -13.841 2.867 -7.643 1.00 0.00 C ATOM 853 O GLY A 61 -14.733 3.659 -7.342 1.00 0.00 O ATOM 0 H GLY A 61 -12.062 1.324 -9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.440 2.819 -9.698 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.162 1.238 -8.994 1.00 0.00 H new ATOM 857 N SER A 62 -12.886 2.495 -6.797 1.00 0.00 N ATOM 858 CA SER A 62 -12.832 3.010 -5.434 1.00 0.00 C ATOM 859 C SER A 62 -12.688 4.527 -5.430 1.00 0.00 C ATOM 860 O SER A 62 -13.308 5.218 -4.621 1.00 0.00 O ATOM 861 CB SER A 62 -11.666 2.374 -4.673 1.00 0.00 C ATOM 862 OG SER A 62 -11.757 2.640 -3.284 1.00 0.00 O ATOM 0 H SER A 62 -12.140 1.840 -7.031 1.00 0.00 H new ATOM 0 HA SER A 62 -13.767 2.751 -4.937 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.663 1.297 -4.841 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.722 2.760 -5.059 1.00 0.00 H new ATOM 0 HG SER A 62 -11.740 1.795 -2.787 1.00 0.00 H new ATOM 868 N GLY A 63 -11.866 5.041 -6.339 1.00 0.00 N ATOM 869 CA GLY A 63 -11.656 6.475 -6.423 1.00 0.00 C ATOM 870 C GLY A 63 -10.189 6.853 -6.330 1.00 0.00 C ATOM 871 O GLY A 63 -9.834 7.831 -5.673 1.00 0.00 O ATOM 0 H GLY A 63 -11.342 4.491 -7.019 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.064 6.844 -7.364 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.206 6.967 -5.621 1.00 0.00 H new ATOM 875 N LEU A 64 -9.338 6.077 -6.992 1.00 0.00 N ATOM 876 CA LEU A 64 -7.902 6.334 -6.981 1.00 0.00 C ATOM 877 C LEU A 64 -7.446 6.926 -8.312 1.00 0.00 C ATOM 878 O LEU A 64 -7.802 6.426 -9.379 1.00 0.00 O ATOM 879 CB LEU A 64 -7.133 5.043 -6.693 1.00 0.00 C ATOM 880 CG LEU A 64 -7.233 4.538 -5.253 1.00 0.00 C ATOM 881 CD1 LEU A 64 -6.893 3.058 -5.184 1.00 0.00 C ATOM 882 CD2 LEU A 64 -6.315 5.341 -4.343 1.00 0.00 C ATOM 0 H LEU A 64 -9.617 5.265 -7.543 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.693 7.056 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.498 4.264 -7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.082 5.203 -6.934 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.259 4.671 -4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.969 2.715 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.589 2.495 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.876 2.901 -5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.398 4.969 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.285 5.239 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.604 6.392 -4.371 1.00 0.00 H new ATOM 894 N LYS A 65 -6.657 7.993 -8.240 1.00 0.00 N ATOM 895 CA LYS A 65 -6.152 8.653 -9.438 1.00 0.00 C ATOM 896 C LYS A 65 -4.678 9.012 -9.282 1.00 0.00 C ATOM 897 O LYS A 65 -4.083 8.786 -8.229 1.00 0.00 O ATOM 898 CB LYS A 65 -6.968 9.912 -9.734 1.00 0.00 C ATOM 899 CG LYS A 65 -8.318 9.626 -10.374 1.00 0.00 C ATOM 900 CD LYS A 65 -9.456 10.260 -9.590 1.00 0.00 C ATOM 901 CE LYS A 65 -10.517 10.838 -10.513 1.00 0.00 C ATOM 902 NZ LYS A 65 -11.894 10.558 -10.020 1.00 0.00 N ATOM 0 H LYS A 65 -6.354 8.419 -7.364 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.251 7.960 -10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.125 10.460 -8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.393 10.561 -10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.324 10.005 -11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.472 8.549 -10.433 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.908 9.514 -8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.062 11.048 -8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.375 11.915 -10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.397 10.419 -11.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.588 10.968 -10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.039 9.530 -9.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.018 10.980 -9.078 1.00 0.00 H new ATOM 916 N VAL A 66 -4.096 9.571 -10.338 1.00 0.00 N ATOM 917 CA VAL A 66 -2.692 9.961 -10.318 1.00 0.00 C ATOM 918 C VAL A 66 -2.460 11.134 -9.370 1.00 0.00 C ATOM 919 O VAL A 66 -3.367 11.924 -9.111 1.00 0.00 O ATOM 920 CB VAL A 66 -2.195 10.347 -11.724 1.00 0.00 C ATOM 921 CG1 VAL A 66 -2.229 9.143 -12.652 1.00 0.00 C ATOM 922 CG2 VAL A 66 -3.027 11.489 -12.289 1.00 0.00 C ATOM 0 H VAL A 66 -4.575 9.764 -11.218 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.130 9.096 -9.967 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.162 10.685 -11.644 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.874 9.435 -13.640 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.586 8.358 -12.253 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.251 8.771 -12.728 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.662 11.748 -13.283 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.070 11.181 -12.355 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.946 12.357 -11.635 1.00 0.00 H new ATOM 932 N GLY A 67 -1.240 11.239 -8.855 1.00 0.00 N ATOM 933 CA GLY A 67 -0.911 12.317 -7.942 1.00 0.00 C ATOM 934 C GLY A 67 -1.016 11.899 -6.489 1.00 0.00 C ATOM 935 O GLY A 67 -0.322 12.440 -5.627 1.00 0.00 O ATOM 0 H GLY A 67 -0.473 10.597 -9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.102 12.664 -8.145 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.579 13.159 -8.124 1.00 0.00 H new ATOM 939 N ASP A 68 -1.886 10.932 -6.214 1.00 0.00 N ATOM 940 CA ASP A 68 -2.079 10.442 -4.855 1.00 0.00 C ATOM 941 C ASP A 68 -0.787 9.851 -4.300 1.00 0.00 C ATOM 942 O ASP A 68 0.031 9.311 -5.046 1.00 0.00 O ATOM 943 CB ASP A 68 -3.193 9.391 -4.824 1.00 0.00 C ATOM 944 CG ASP A 68 -4.465 9.918 -4.188 1.00 0.00 C ATOM 945 OD1 ASP A 68 -4.368 10.796 -3.305 1.00 0.00 O ATOM 946 OD2 ASP A 68 -5.558 9.450 -4.572 1.00 0.00 O ATOM 0 H ASP A 68 -2.468 10.473 -6.915 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.368 11.285 -4.228 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.407 9.062 -5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.849 8.516 -4.272 1.00 0.00 H new ATOM 951 N GLN A 69 -0.609 9.957 -2.988 1.00 0.00 N ATOM 952 CA GLN A 69 0.583 9.433 -2.332 1.00 0.00 C ATOM 953 C GLN A 69 0.225 8.297 -1.380 1.00 0.00 C ATOM 954 O GLN A 69 -0.411 8.514 -0.349 1.00 0.00 O ATOM 955 CB GLN A 69 1.301 10.548 -1.568 1.00 0.00 C ATOM 956 CG GLN A 69 2.815 10.417 -1.582 1.00 0.00 C ATOM 957 CD GLN A 69 3.348 9.688 -0.363 1.00 0.00 C ATOM 958 OE1 GLN A 69 3.172 10.136 0.769 1.00 0.00 O ATOM 959 NE2 GLN A 69 4.005 8.556 -0.592 1.00 0.00 N ATOM 0 H GLN A 69 -1.276 10.402 -2.357 1.00 0.00 H new ATOM 0 HA GLN A 69 1.249 9.042 -3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.024 11.510 -2.000 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.954 10.551 -0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.122 9.885 -2.482 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.262 11.410 -1.631 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.127 8.222 -1.548 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.387 8.021 0.188 1.00 0.00 H new ATOM 968 N ILE A 70 0.639 7.084 -1.732 1.00 0.00 N ATOM 969 CA ILE A 70 0.362 5.913 -0.908 1.00 0.00 C ATOM 970 C ILE A 70 1.228 5.909 0.347 1.00 0.00 C ATOM 971 O ILE A 70 2.450 5.779 0.270 1.00 0.00 O ATOM 972 CB ILE A 70 0.604 4.607 -1.689 1.00 0.00 C ATOM 973 CG1 ILE A 70 -0.112 4.654 -3.041 1.00 0.00 C ATOM 974 CG2 ILE A 70 0.135 3.409 -0.877 1.00 0.00 C ATOM 975 CD1 ILE A 70 0.174 3.455 -3.918 1.00 0.00 C ATOM 0 H ILE A 70 1.167 6.886 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.688 5.967 -0.622 1.00 0.00 H new ATOM 0 HB ILE A 70 1.674 4.503 -1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.187 4.722 -2.872 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.186 5.560 -3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.313 2.494 -1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.686 3.368 0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.931 3.505 -0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.366 3.556 -4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.244 3.397 -4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.150 2.547 -3.409 1.00 0.00 H new ATOM 987 N LEU A 71 0.587 6.052 1.502 1.00 0.00 N ATOM 988 CA LEU A 71 1.299 6.065 2.774 1.00 0.00 C ATOM 989 C LEU A 71 1.681 4.651 3.198 1.00 0.00 C ATOM 990 O LEU A 71 2.862 4.329 3.327 1.00 0.00 O ATOM 991 CB LEU A 71 0.438 6.719 3.857 1.00 0.00 C ATOM 992 CG LEU A 71 -0.020 8.145 3.546 1.00 0.00 C ATOM 993 CD1 LEU A 71 -0.906 8.676 4.662 1.00 0.00 C ATOM 994 CD2 LEU A 71 1.181 9.055 3.337 1.00 0.00 C ATOM 0 H LEU A 71 -0.424 6.160 1.583 1.00 0.00 H new ATOM 0 HA LEU A 71 2.212 6.646 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.443 6.099 4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.001 6.730 4.790 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.603 8.128 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.222 9.691 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.783 8.037 4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.348 8.680 5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.838 10.066 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.790 9.068 4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.777 8.685 2.503 1.00 0.00 H new ATOM 1006 N GLU A 72 0.675 3.810 3.415 1.00 0.00 N ATOM 1007 CA GLU A 72 0.907 2.430 3.825 1.00 0.00 C ATOM 1008 C GLU A 72 -0.130 1.497 3.209 1.00 0.00 C ATOM 1009 O GLU A 72 -1.214 1.929 2.818 1.00 0.00 O ATOM 1010 CB GLU A 72 0.871 2.316 5.351 1.00 0.00 C ATOM 1011 CG GLU A 72 -0.469 2.699 5.957 1.00 0.00 C ATOM 1012 CD GLU A 72 -0.386 3.940 6.824 1.00 0.00 C ATOM 1013 OE1 GLU A 72 0.196 3.858 7.926 1.00 0.00 O ATOM 1014 OE2 GLU A 72 -0.903 4.996 6.401 1.00 0.00 O ATOM 0 H GLU A 72 -0.309 4.060 3.314 1.00 0.00 H new ATOM 0 HA GLU A 72 1.893 2.133 3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.110 1.292 5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.647 2.954 5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.190 2.867 5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.844 1.868 6.554 1.00 0.00 H new ATOM 1021 N VAL A 73 0.210 0.215 3.126 1.00 0.00 N ATOM 1022 CA VAL A 73 -0.692 -0.780 2.559 1.00 0.00 C ATOM 1023 C VAL A 73 -0.627 -2.088 3.339 1.00 0.00 C ATOM 1024 O VAL A 73 0.455 -2.616 3.598 1.00 0.00 O ATOM 1025 CB VAL A 73 -0.360 -1.060 1.081 1.00 0.00 C ATOM 1026 CG1 VAL A 73 -1.426 -1.945 0.453 1.00 0.00 C ATOM 1027 CG2 VAL A 73 -0.215 0.243 0.310 1.00 0.00 C ATOM 0 H VAL A 73 1.104 -0.159 3.444 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.699 -0.369 2.627 1.00 0.00 H new ATOM 0 HB VAL A 73 0.592 -1.589 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.175 -2.132 -0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.475 -2.892 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.393 -1.446 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.019 0.025 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.149 0.803 0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.589 0.836 0.746 1.00 0.00 H new ATOM 1037 N ASN A 74 -1.792 -2.608 3.711 1.00 0.00 N ATOM 1038 CA ASN A 74 -1.867 -3.856 4.463 1.00 0.00 C ATOM 1039 C ASN A 74 -1.145 -3.727 5.801 1.00 0.00 C ATOM 1040 O ASN A 74 -0.601 -4.702 6.320 1.00 0.00 O ATOM 1041 CB ASN A 74 -1.264 -5.002 3.650 1.00 0.00 C ATOM 1042 CG ASN A 74 -2.311 -5.772 2.870 1.00 0.00 C ATOM 1043 OD1 ASN A 74 -2.625 -5.294 1.672 1.00 0.00 O flip ATOM 1044 ND2 ASN A 74 -2.832 -6.784 3.339 1.00 0.00 N flip ATOM 0 H ASN A 74 -2.697 -2.185 3.504 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.917 -4.074 4.658 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.522 -4.602 2.959 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.741 -5.683 4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.560 -7.116 4.264 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.536 -7.291 2.802 1.00 0.00 H new ATOM 1051 N GLY A 75 -1.144 -2.519 6.355 1.00 0.00 N ATOM 1052 CA GLY A 75 -0.486 -2.287 7.627 1.00 0.00 C ATOM 1053 C GLY A 75 1.025 -2.285 7.506 1.00 0.00 C ATOM 1054 O GLY A 75 1.731 -2.618 8.458 1.00 0.00 O ATOM 0 H GLY A 75 -1.587 -1.697 5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.816 -1.331 8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.790 -3.058 8.336 1.00 0.00 H new ATOM 1058 N ARG A 76 1.522 -1.908 6.332 1.00 0.00 N ATOM 1059 CA ARG A 76 2.960 -1.864 6.089 1.00 0.00 C ATOM 1060 C ARG A 76 3.393 -0.473 5.639 1.00 0.00 C ATOM 1061 O ARG A 76 2.786 0.119 4.745 1.00 0.00 O ATOM 1062 CB ARG A 76 3.350 -2.899 5.032 1.00 0.00 C ATOM 1063 CG ARG A 76 4.852 -3.091 4.894 1.00 0.00 C ATOM 1064 CD ARG A 76 5.200 -4.512 4.480 1.00 0.00 C ATOM 1065 NE ARG A 76 6.125 -5.144 5.417 1.00 0.00 N ATOM 1066 CZ ARG A 76 7.436 -4.914 5.433 1.00 0.00 C ATOM 1067 NH1 ARG A 76 7.979 -4.069 4.565 1.00 0.00 N ATOM 1068 NH2 ARG A 76 8.206 -5.531 6.319 1.00 0.00 N ATOM 0 H ARG A 76 0.951 -1.629 5.534 1.00 0.00 H new ATOM 0 HA ARG A 76 3.469 -2.099 7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.892 -3.855 5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.941 -2.594 4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.242 -2.391 4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.338 -2.859 5.842 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.287 -5.105 4.416 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.644 -4.501 3.484 1.00 0.00 H new ATOM 0 HE ARG A 76 5.744 -5.800 6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.391 -3.592 3.881 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.984 -3.896 4.582 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.794 -6.181 6.988 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.211 -5.355 6.332 1.00 0.00 H new ATOM 1082 N SER A 77 4.445 0.045 6.263 1.00 0.00 N ATOM 1083 CA SER A 77 4.960 1.367 5.926 1.00 0.00 C ATOM 1084 C SER A 77 5.474 1.401 4.491 1.00 0.00 C ATOM 1085 O SER A 77 6.461 0.745 4.159 1.00 0.00 O ATOM 1086 CB SER A 77 6.079 1.763 6.891 1.00 0.00 C ATOM 1087 OG SER A 77 5.573 1.987 8.195 1.00 0.00 O ATOM 0 H SER A 77 4.958 -0.431 7.005 1.00 0.00 H new ATOM 0 HA SER A 77 4.142 2.082 6.017 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.833 0.977 6.920 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.573 2.665 6.529 1.00 0.00 H new ATOM 0 HG SER A 77 6.308 2.237 8.793 1.00 0.00 H new ATOM 1093 N PHE A 78 4.798 2.169 3.644 1.00 0.00 N ATOM 1094 CA PHE A 78 5.186 2.288 2.242 1.00 0.00 C ATOM 1095 C PHE A 78 5.999 3.558 2.009 1.00 0.00 C ATOM 1096 O PHE A 78 5.958 4.144 0.927 1.00 0.00 O ATOM 1097 CB PHE A 78 3.944 2.288 1.348 1.00 0.00 C ATOM 1098 CG PHE A 78 3.647 0.950 0.733 1.00 0.00 C ATOM 1099 CD1 PHE A 78 3.413 -0.157 1.533 1.00 0.00 C ATOM 1100 CD2 PHE A 78 3.602 0.800 -0.644 1.00 0.00 C ATOM 1101 CE1 PHE A 78 3.139 -1.390 0.971 1.00 0.00 C ATOM 1102 CE2 PHE A 78 3.329 -0.430 -1.212 1.00 0.00 C ATOM 1103 CZ PHE A 78 3.098 -1.526 -0.403 1.00 0.00 C ATOM 0 H PHE A 78 3.979 2.719 3.903 1.00 0.00 H new ATOM 0 HA PHE A 78 5.808 1.430 1.986 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.083 2.608 1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.078 3.022 0.554 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.445 -0.055 2.608 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.782 1.654 -1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.957 -2.245 1.605 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.296 -0.534 -2.286 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.886 -2.488 -0.845 1.00 0.00 H new ATOM 1113 N LEU A 79 6.738 3.978 3.031 1.00 0.00 N ATOM 1114 CA LEU A 79 7.561 5.179 2.936 1.00 0.00 C ATOM 1115 C LEU A 79 8.978 4.832 2.490 1.00 0.00 C ATOM 1116 O LEU A 79 9.638 5.621 1.815 1.00 0.00 O ATOM 1117 CB LEU A 79 7.600 5.904 4.283 1.00 0.00 C ATOM 1118 CG LEU A 79 6.423 6.844 4.546 1.00 0.00 C ATOM 1119 CD1 LEU A 79 6.435 7.322 5.990 1.00 0.00 C ATOM 1120 CD2 LEU A 79 6.464 8.028 3.590 1.00 0.00 C ATOM 0 H LEU A 79 6.784 3.505 3.934 1.00 0.00 H new ATOM 0 HA LEU A 79 7.115 5.838 2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.635 5.159 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.524 6.478 4.343 1.00 0.00 H new ATOM 0 HG LEU A 79 5.497 6.295 4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.590 7.990 6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.359 6.464 6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.365 7.855 6.189 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.619 8.687 3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.395 8.578 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.407 7.668 2.563 1.00 0.00 H new ATOM 1132 N ASN A 80 9.439 3.646 2.873 1.00 0.00 N ATOM 1133 CA ASN A 80 10.779 3.194 2.513 1.00 0.00 C ATOM 1134 C ASN A 80 10.727 1.833 1.827 1.00 0.00 C ATOM 1135 O ASN A 80 11.597 0.988 2.035 1.00 0.00 O ATOM 1136 CB ASN A 80 11.667 3.118 3.756 1.00 0.00 C ATOM 1137 CG ASN A 80 10.990 2.401 4.909 1.00 0.00 C ATOM 1138 OD1 ASN A 80 10.305 3.019 5.723 1.00 0.00 O ATOM 1139 ND2 ASN A 80 11.180 1.089 4.981 1.00 0.00 N ATOM 0 H ASN A 80 8.905 2.981 3.432 1.00 0.00 H new ATOM 0 HA ASN A 80 11.204 3.917 1.816 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.594 2.602 3.506 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.937 4.127 4.068 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.750 0.552 5.734 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.756 0.618 4.283 1.00 0.00 H new ATOM 1146 N ILE A 81 9.700 1.628 1.008 1.00 0.00 N ATOM 1147 CA ILE A 81 9.533 0.370 0.291 1.00 0.00 C ATOM 1148 C ILE A 81 10.127 0.457 -1.113 1.00 0.00 C ATOM 1149 O ILE A 81 9.960 1.459 -1.807 1.00 0.00 O ATOM 1150 CB ILE A 81 8.046 -0.026 0.192 1.00 0.00 C ATOM 1151 CG1 ILE A 81 7.901 -1.412 -0.444 1.00 0.00 C ATOM 1152 CG2 ILE A 81 7.267 1.014 -0.602 1.00 0.00 C ATOM 1153 CD1 ILE A 81 7.653 -2.515 0.561 1.00 0.00 C ATOM 0 H ILE A 81 8.971 2.318 0.825 1.00 0.00 H new ATOM 0 HA ILE A 81 10.064 -0.395 0.858 1.00 0.00 H new ATOM 0 HB ILE A 81 7.632 -0.066 1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 81 7.078 -1.391 -1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.806 -1.641 -1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.220 0.717 -0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.342 1.982 -0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.680 1.088 -1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.561 -3.468 0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 81 8.487 -2.564 1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.732 -2.309 1.107 1.00 0.00 H new ATOM 1165 N LEU A 82 10.820 -0.601 -1.523 1.00 0.00 N ATOM 1166 CA LEU A 82 11.439 -0.645 -2.844 1.00 0.00 C ATOM 1167 C LEU A 82 10.394 -0.468 -3.940 1.00 0.00 C ATOM 1168 O LEU A 82 9.199 -0.655 -3.710 1.00 0.00 O ATOM 1169 CB LEU A 82 12.180 -1.969 -3.039 1.00 0.00 C ATOM 1170 CG LEU A 82 13.623 -1.982 -2.532 1.00 0.00 C ATOM 1171 CD1 LEU A 82 14.072 -3.406 -2.238 1.00 0.00 C ATOM 1172 CD2 LEU A 82 14.549 -1.329 -3.547 1.00 0.00 C ATOM 0 H LEU A 82 10.967 -1.439 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 82 12.153 0.176 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.625 -2.757 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.182 -2.214 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 82 13.669 -1.409 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.101 -3.396 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.425 -3.841 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.012 -4.002 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.572 -1.347 -3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.500 -1.875 -4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.240 -0.296 -3.710 1.00 0.00 H new ATOM 1184 N HIS A 83 10.852 -0.105 -5.135 1.00 0.00 N ATOM 1185 CA HIS A 83 9.957 0.098 -6.267 1.00 0.00 C ATOM 1186 C HIS A 83 9.373 -1.229 -6.745 1.00 0.00 C ATOM 1187 O HIS A 83 8.158 -1.370 -6.884 1.00 0.00 O ATOM 1188 CB HIS A 83 10.700 0.784 -7.415 1.00 0.00 C ATOM 1189 CG HIS A 83 9.806 1.202 -8.541 1.00 0.00 C ATOM 1190 ND1 HIS A 83 8.695 1.999 -8.364 1.00 0.00 N ATOM 1191 CD2 HIS A 83 9.865 0.930 -9.867 1.00 0.00 C ATOM 1192 CE1 HIS A 83 8.108 2.198 -9.532 1.00 0.00 C ATOM 1193 NE2 HIS A 83 8.799 1.560 -10.459 1.00 0.00 N ATOM 0 H HIS A 83 11.838 0.054 -5.343 1.00 0.00 H new ATOM 0 HA HIS A 83 9.138 0.738 -5.939 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.218 1.661 -7.029 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.463 0.107 -7.800 1.00 0.00 H new ATOM 0 HD1 HIS A 83 8.376 2.376 -7.472 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.612 0.329 -10.365 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.216 2.783 -9.699 1.00 0.00 H new ATOM 1202 N ASP A 84 10.248 -2.198 -6.996 1.00 0.00 N ATOM 1203 CA ASP A 84 9.819 -3.513 -7.459 1.00 0.00 C ATOM 1204 C ASP A 84 9.011 -4.232 -6.383 1.00 0.00 C ATOM 1205 O ASP A 84 8.107 -5.011 -6.689 1.00 0.00 O ATOM 1206 CB ASP A 84 11.031 -4.358 -7.853 1.00 0.00 C ATOM 1207 CG ASP A 84 12.095 -4.383 -6.773 1.00 0.00 C ATOM 1208 OD1 ASP A 84 12.725 -3.331 -6.536 1.00 0.00 O ATOM 1209 OD2 ASP A 84 12.297 -5.454 -6.162 1.00 0.00 O ATOM 0 H ASP A 84 11.257 -2.097 -6.887 1.00 0.00 H new ATOM 0 HA ASP A 84 9.183 -3.373 -8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.707 -5.377 -8.063 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.461 -3.964 -8.774 1.00 0.00 H new ATOM 1214 N GLU A 85 9.342 -3.966 -5.124 1.00 0.00 N ATOM 1215 CA GLU A 85 8.647 -4.588 -4.003 1.00 0.00 C ATOM 1216 C GLU A 85 7.257 -3.986 -3.824 1.00 0.00 C ATOM 1217 O GLU A 85 6.316 -4.678 -3.436 1.00 0.00 O ATOM 1218 CB GLU A 85 9.459 -4.421 -2.717 1.00 0.00 C ATOM 1219 CG GLU A 85 9.199 -5.510 -1.689 1.00 0.00 C ATOM 1220 CD GLU A 85 9.878 -5.231 -0.362 1.00 0.00 C ATOM 1221 OE1 GLU A 85 11.074 -4.874 -0.370 1.00 0.00 O ATOM 1222 OE2 GLU A 85 9.212 -5.370 0.686 1.00 0.00 O ATOM 0 H GLU A 85 10.087 -3.324 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 85 8.537 -5.651 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.520 -4.413 -2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.228 -3.452 -2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.125 -5.606 -1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.551 -6.465 -2.079 1.00 0.00 H new ATOM 1229 N ALA A 86 7.137 -2.694 -4.107 1.00 0.00 N ATOM 1230 CA ALA A 86 5.863 -1.998 -3.977 1.00 0.00 C ATOM 1231 C ALA A 86 4.906 -2.389 -5.098 1.00 0.00 C ATOM 1232 O ALA A 86 3.690 -2.408 -4.912 1.00 0.00 O ATOM 1233 CB ALA A 86 6.082 -0.493 -3.969 1.00 0.00 C ATOM 0 H ALA A 86 7.907 -2.107 -4.428 1.00 0.00 H new ATOM 0 HA ALA A 86 5.411 -2.294 -3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.122 0.014 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.722 -0.223 -3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.559 -0.190 -4.901 1.00 0.00 H new ATOM 1239 N VAL A 87 5.465 -2.701 -6.264 1.00 0.00 N ATOM 1240 CA VAL A 87 4.662 -3.092 -7.415 1.00 0.00 C ATOM 1241 C VAL A 87 4.229 -4.551 -7.314 1.00 0.00 C ATOM 1242 O VAL A 87 3.164 -4.929 -7.800 1.00 0.00 O ATOM 1243 CB VAL A 87 5.431 -2.887 -8.735 1.00 0.00 C ATOM 1244 CG1 VAL A 87 4.528 -3.153 -9.929 1.00 0.00 C ATOM 1245 CG2 VAL A 87 6.014 -1.482 -8.803 1.00 0.00 C ATOM 0 H VAL A 87 6.470 -2.690 -6.435 1.00 0.00 H new ATOM 0 HA VAL A 87 3.779 -2.452 -7.415 1.00 0.00 H new ATOM 0 HB VAL A 87 6.255 -3.600 -8.766 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.090 -3.003 -10.851 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.165 -4.180 -9.889 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.681 -2.467 -9.905 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.553 -1.357 -9.742 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.208 -0.750 -8.747 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.699 -1.332 -7.969 1.00 0.00 H new ATOM 1255 N ARG A 88 5.065 -5.368 -6.679 1.00 0.00 N ATOM 1256 CA ARG A 88 4.768 -6.786 -6.515 1.00 0.00 C ATOM 1257 C ARG A 88 3.940 -7.027 -5.258 1.00 0.00 C ATOM 1258 O ARG A 88 3.002 -7.826 -5.264 1.00 0.00 O ATOM 1259 CB ARG A 88 6.066 -7.594 -6.447 1.00 0.00 C ATOM 1260 CG ARG A 88 6.575 -8.043 -7.807 1.00 0.00 C ATOM 1261 CD ARG A 88 8.014 -8.528 -7.730 1.00 0.00 C ATOM 1262 NE ARG A 88 8.281 -9.603 -8.681 1.00 0.00 N ATOM 1263 CZ ARG A 88 9.467 -10.193 -8.819 1.00 0.00 C ATOM 1264 NH1 ARG A 88 10.495 -9.814 -8.071 1.00 0.00 N ATOM 1265 NH2 ARG A 88 9.623 -11.165 -9.709 1.00 0.00 N ATOM 0 H ARG A 88 5.952 -5.072 -6.271 1.00 0.00 H new ATOM 0 HA ARG A 88 4.188 -7.113 -7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.834 -6.992 -5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.906 -8.471 -5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.940 -8.843 -8.189 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.506 -7.216 -8.514 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.688 -7.695 -7.926 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.225 -8.877 -6.719 1.00 0.00 H new ATOM 0 HE ARG A 88 7.515 -9.921 -9.274 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.379 -9.067 -7.386 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.401 -10.269 -8.181 1.00 0.00 H new ATOM 0 HH21 ARG A 88 8.835 -11.459 -10.286 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.531 -11.618 -9.816 1.00 0.00 H new ATOM 1279 N LEU A 89 4.290 -6.333 -4.181 1.00 0.00 N ATOM 1280 CA LEU A 89 3.578 -6.471 -2.916 1.00 0.00 C ATOM 1281 C LEU A 89 2.107 -6.102 -3.075 1.00 0.00 C ATOM 1282 O LEU A 89 1.243 -6.643 -2.385 1.00 0.00 O ATOM 1283 CB LEU A 89 4.224 -5.592 -1.843 1.00 0.00 C ATOM 1284 CG LEU A 89 3.624 -5.732 -0.444 1.00 0.00 C ATOM 1285 CD1 LEU A 89 3.810 -7.148 0.078 1.00 0.00 C ATOM 1286 CD2 LEU A 89 4.251 -4.724 0.506 1.00 0.00 C ATOM 0 H LEU A 89 5.063 -5.668 -4.159 1.00 0.00 H new ATOM 0 HA LEU A 89 3.640 -7.514 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.286 -5.830 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.145 -4.550 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 89 2.555 -5.528 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.377 -7.228 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.313 -7.851 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.874 -7.382 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.813 -4.837 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.326 -4.897 0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.065 -3.714 0.140 1.00 0.00 H new ATOM 1298 N LEU A 90 1.828 -5.177 -3.988 1.00 0.00 N ATOM 1299 CA LEU A 90 0.462 -4.736 -4.237 1.00 0.00 C ATOM 1300 C LEU A 90 -0.305 -5.774 -5.050 1.00 0.00 C ATOM 1301 O LEU A 90 -1.507 -5.963 -4.859 1.00 0.00 O ATOM 1302 CB LEU A 90 0.462 -3.393 -4.972 1.00 0.00 C ATOM 1303 CG LEU A 90 0.568 -2.162 -4.071 1.00 0.00 C ATOM 1304 CD1 LEU A 90 0.864 -0.921 -4.896 1.00 0.00 C ATOM 1305 CD2 LEU A 90 -0.711 -1.980 -3.268 1.00 0.00 C ATOM 0 H LEU A 90 2.531 -4.719 -4.568 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.035 -4.615 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.294 -3.382 -5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.453 -3.317 -5.559 1.00 0.00 H new ATOM 0 HG LEU A 90 1.393 -2.314 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.936 -0.055 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.807 -1.053 -5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.062 -0.763 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.619 -1.100 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.552 -1.850 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.879 -2.860 -2.647 1.00 0.00 H new ATOM 1317 N LYS A 91 0.397 -6.444 -5.959 1.00 0.00 N ATOM 1318 CA LYS A 91 -0.217 -7.463 -6.800 1.00 0.00 C ATOM 1319 C LYS A 91 0.045 -8.858 -6.243 1.00 0.00 C ATOM 1320 O LYS A 91 0.250 -9.810 -6.996 1.00 0.00 O ATOM 1321 CB LYS A 91 0.315 -7.363 -8.231 1.00 0.00 C ATOM 1322 CG LYS A 91 0.382 -5.938 -8.757 1.00 0.00 C ATOM 1323 CD LYS A 91 -1.002 -5.320 -8.866 1.00 0.00 C ATOM 1324 CE LYS A 91 -1.006 -4.126 -9.806 1.00 0.00 C ATOM 1325 NZ LYS A 91 -0.799 -2.843 -9.078 1.00 0.00 N ATOM 0 H LYS A 91 1.392 -6.299 -6.131 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.293 -7.291 -6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.311 -7.803 -8.271 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.322 -7.955 -8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.001 -5.333 -8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.863 -5.932 -9.735 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.709 -6.069 -9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.341 -5.008 -7.878 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.222 -4.250 -10.553 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.954 -4.090 -10.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.510 -2.150 -9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.896 -3.005 -8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.153 -2.478 -9.282 1.00 0.00 H new ATOM 1339 N SER A 92 0.037 -8.971 -4.919 1.00 0.00 N ATOM 1340 CA SER A 92 0.274 -10.249 -4.259 1.00 0.00 C ATOM 1341 C SER A 92 -0.759 -10.498 -3.165 1.00 0.00 C ATOM 1342 O SER A 92 -1.335 -11.582 -3.076 1.00 0.00 O ATOM 1343 CB SER A 92 1.683 -10.287 -3.664 1.00 0.00 C ATOM 1344 OG SER A 92 2.139 -11.620 -3.516 1.00 0.00 O ATOM 0 H SER A 92 -0.131 -8.192 -4.282 1.00 0.00 H new ATOM 0 HA SER A 92 0.181 -11.037 -5.007 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.368 -9.735 -4.308 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.685 -9.789 -2.694 1.00 0.00 H new ATOM 0 HG SER A 92 3.042 -11.616 -3.136 1.00 0.00 H new ATOM 1350 N SER A 93 -0.989 -9.485 -2.335 1.00 0.00 N ATOM 1351 CA SER A 93 -1.954 -9.594 -1.247 1.00 0.00 C ATOM 1352 C SER A 93 -3.383 -9.512 -1.775 1.00 0.00 C ATOM 1353 O SER A 93 -3.653 -8.817 -2.755 1.00 0.00 O ATOM 1354 CB SER A 93 -1.716 -8.490 -0.214 1.00 0.00 C ATOM 1355 OG SER A 93 -2.614 -8.610 0.876 1.00 0.00 O ATOM 0 H SER A 93 -0.521 -8.581 -2.395 1.00 0.00 H new ATOM 0 HA SER A 93 -1.818 -10.565 -0.770 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.689 -8.542 0.149 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.839 -7.515 -0.685 1.00 0.00 H new ATOM 0 HG SER A 93 -2.115 -8.560 1.718 1.00 0.00 H new ATOM 1361 N ARG A 94 -4.292 -10.226 -1.121 1.00 0.00 N ATOM 1362 CA ARG A 94 -5.693 -10.235 -1.526 1.00 0.00 C ATOM 1363 C ARG A 94 -6.372 -8.919 -1.161 1.00 0.00 C ATOM 1364 O ARG A 94 -6.829 -8.181 -2.034 1.00 0.00 O ATOM 1365 CB ARG A 94 -6.429 -11.403 -0.867 1.00 0.00 C ATOM 1366 CG ARG A 94 -5.987 -12.765 -1.377 1.00 0.00 C ATOM 1367 CD ARG A 94 -4.820 -13.310 -0.569 1.00 0.00 C ATOM 1368 NE ARG A 94 -4.941 -14.747 -0.335 1.00 0.00 N ATOM 1369 CZ ARG A 94 -4.250 -15.409 0.591 1.00 0.00 C ATOM 1370 NH1 ARG A 94 -3.388 -14.766 1.370 1.00 0.00 N ATOM 1371 NH2 ARG A 94 -4.419 -16.715 0.738 1.00 0.00 N ATOM 0 H ARG A 94 -4.084 -10.806 -0.308 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.732 -10.356 -2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.272 -11.359 0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.500 -11.290 -1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.823 -13.463 -1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.700 -12.687 -2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.888 -13.105 -1.095 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.767 -12.790 0.387 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.593 -15.274 -0.915 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.253 -13.761 1.260 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.861 -15.277 2.078 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.079 -17.214 0.142 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -3.889 -17.221 1.448 1.00 0.00 H new ATOM 1385 N HIS A 95 -6.436 -8.631 0.135 1.00 0.00 N ATOM 1386 CA HIS A 95 -7.060 -7.404 0.615 1.00 0.00 C ATOM 1387 C HIS A 95 -6.062 -6.250 0.621 1.00 0.00 C ATOM 1388 O HIS A 95 -5.235 -6.136 1.525 1.00 0.00 O ATOM 1389 CB HIS A 95 -7.627 -7.613 2.022 1.00 0.00 C ATOM 1390 CG HIS A 95 -8.987 -7.016 2.213 1.00 0.00 C ATOM 1391 ND1 HIS A 95 -10.012 -7.671 2.863 1.00 0.00 N ATOM 1392 CD2 HIS A 95 -9.489 -5.815 1.838 1.00 0.00 C ATOM 1393 CE1 HIS A 95 -11.085 -6.900 2.878 1.00 0.00 C ATOM 1394 NE2 HIS A 95 -10.794 -5.769 2.262 1.00 0.00 N ATOM 0 H HIS A 95 -6.063 -9.231 0.871 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.874 -7.150 -0.064 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.676 -8.682 2.230 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.942 -7.177 2.749 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.961 -5.038 1.305 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.038 -7.152 3.319 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -11.435 -4.988 2.124 1.00 0.00 H new ATOM 1403 N LEU A 96 -6.146 -5.397 -0.395 1.00 0.00 N ATOM 1404 CA LEU A 96 -5.249 -4.253 -0.507 1.00 0.00 C ATOM 1405 C LEU A 96 -5.882 -3.003 0.098 1.00 0.00 C ATOM 1406 O LEU A 96 -6.825 -2.442 -0.458 1.00 0.00 O ATOM 1407 CB LEU A 96 -4.894 -3.998 -1.973 1.00 0.00 C ATOM 1408 CG LEU A 96 -4.295 -5.196 -2.712 1.00 0.00 C ATOM 1409 CD1 LEU A 96 -3.893 -4.806 -4.125 1.00 0.00 C ATOM 1410 CD2 LEU A 96 -3.099 -5.748 -1.950 1.00 0.00 C ATOM 0 H LEU A 96 -6.825 -5.476 -1.152 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.338 -4.482 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.794 -3.679 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.187 -3.170 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.054 -5.976 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.469 -5.671 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.770 -4.458 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.151 -4.009 -4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.685 -6.600 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.338 -4.973 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.416 -6.067 -0.957 1.00 0.00 H new ATOM 1422 N ILE A 97 -5.355 -2.574 1.240 1.00 0.00 N ATOM 1423 CA ILE A 97 -5.867 -1.391 1.921 1.00 0.00 C ATOM 1424 C ILE A 97 -4.948 -0.193 1.702 1.00 0.00 C ATOM 1425 O ILE A 97 -4.210 0.210 2.602 1.00 0.00 O ATOM 1426 CB ILE A 97 -6.025 -1.636 3.434 1.00 0.00 C ATOM 1427 CG1 ILE A 97 -6.767 -2.950 3.686 1.00 0.00 C ATOM 1428 CG2 ILE A 97 -6.760 -0.473 4.084 1.00 0.00 C ATOM 1429 CD1 ILE A 97 -5.848 -4.140 3.858 1.00 0.00 C ATOM 0 H ILE A 97 -4.574 -3.028 1.713 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.847 -1.178 1.494 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.034 -1.710 3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.383 -2.845 4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.444 -3.141 2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.864 -0.660 5.153 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.195 0.446 3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.748 -0.371 3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.443 -5.037 4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.250 -4.271 2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.188 -3.970 4.709 1.00 0.00 H new ATOM 1441 N LEU A 98 -4.997 0.371 0.500 1.00 0.00 N ATOM 1442 CA LEU A 98 -4.168 1.523 0.163 1.00 0.00 C ATOM 1443 C LEU A 98 -4.638 2.769 0.906 1.00 0.00 C ATOM 1444 O LEU A 98 -5.748 3.254 0.685 1.00 0.00 O ATOM 1445 CB LEU A 98 -4.198 1.774 -1.347 1.00 0.00 C ATOM 1446 CG LEU A 98 -3.140 1.013 -2.150 1.00 0.00 C ATOM 1447 CD1 LEU A 98 -3.707 -0.301 -2.666 1.00 0.00 C ATOM 1448 CD2 LEU A 98 -2.632 1.865 -3.304 1.00 0.00 C ATOM 0 H LEU A 98 -5.601 0.050 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.145 1.305 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.184 1.504 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.070 2.842 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.301 0.791 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.942 -0.829 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.023 -0.917 -1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.563 -0.100 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.881 1.308 -3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.463 2.117 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.188 2.780 -2.913 1.00 0.00 H new ATOM 1460 N THR A 99 -3.786 3.282 1.788 1.00 0.00 N ATOM 1461 CA THR A 99 -4.114 4.471 2.564 1.00 0.00 C ATOM 1462 C THR A 99 -3.404 5.700 2.003 1.00 0.00 C ATOM 1463 O THR A 99 -2.290 6.026 2.413 1.00 0.00 O ATOM 1464 CB THR A 99 -3.727 4.271 4.030 1.00 0.00 C ATOM 1465 OG1 THR A 99 -4.168 3.008 4.498 1.00 0.00 O ATOM 1466 CG2 THR A 99 -4.302 5.327 4.950 1.00 0.00 C ATOM 0 H THR A 99 -2.864 2.892 1.983 1.00 0.00 H new ATOM 0 HA THR A 99 -5.190 4.632 2.497 1.00 0.00 H new ATOM 0 HB THR A 99 -2.640 4.343 4.054 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.909 2.899 5.437 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.989 5.126 5.975 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.941 6.310 4.646 1.00 0.00 H new ATOM 0 HG23 THR A 99 -5.390 5.306 4.892 1.00 0.00 H new ATOM 1474 N VAL A 100 -4.056 6.376 1.063 1.00 0.00 N ATOM 1475 CA VAL A 100 -3.488 7.568 0.445 1.00 0.00 C ATOM 1476 C VAL A 100 -4.119 8.835 1.012 1.00 0.00 C ATOM 1477 O VAL A 100 -5.169 8.785 1.653 1.00 0.00 O ATOM 1478 CB VAL A 100 -3.675 7.553 -1.084 1.00 0.00 C ATOM 1479 CG1 VAL A 100 -2.917 6.387 -1.702 1.00 0.00 C ATOM 1480 CG2 VAL A 100 -5.153 7.493 -1.445 1.00 0.00 C ATOM 0 H VAL A 100 -4.979 6.118 0.713 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.422 7.564 0.672 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.267 8.478 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.060 6.392 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.855 6.483 -1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.292 5.450 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.263 7.483 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.593 6.587 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.663 8.365 -1.037 1.00 0.00 H new ATOM 1490 N LYS A 101 -3.472 9.971 0.771 1.00 0.00 N ATOM 1491 CA LYS A 101 -3.970 11.252 1.258 1.00 0.00 C ATOM 1492 C LYS A 101 -4.397 12.146 0.098 1.00 0.00 C ATOM 1493 O LYS A 101 -3.943 11.971 -1.033 1.00 0.00 O ATOM 1494 CB LYS A 101 -2.898 11.957 2.092 1.00 0.00 C ATOM 1495 CG LYS A 101 -1.631 12.271 1.313 1.00 0.00 C ATOM 1496 CD LYS A 101 -0.529 12.784 2.226 1.00 0.00 C ATOM 1497 CE LYS A 101 0.273 13.892 1.562 1.00 0.00 C ATOM 1498 NZ LYS A 101 1.531 14.186 2.302 1.00 0.00 N ATOM 0 H LYS A 101 -2.602 10.030 0.242 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.840 11.060 1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.310 12.885 2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.643 11.330 2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.289 11.375 0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.848 13.017 0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.966 13.155 3.153 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.135 11.962 2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.513 13.603 0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.334 14.795 1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.049 14.947 1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.302 14.486 3.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.122 13.331 2.335 1.00 0.00 H new ATOM 1512 N ASP A 102 -5.272 13.104 0.387 1.00 0.00 N ATOM 1513 CA ASP A 102 -5.759 14.026 -0.633 1.00 0.00 C ATOM 1514 C ASP A 102 -4.669 15.010 -1.044 1.00 0.00 C ATOM 1515 O ASP A 102 -4.526 16.077 -0.449 1.00 0.00 O ATOM 1516 CB ASP A 102 -6.983 14.787 -0.118 1.00 0.00 C ATOM 1517 CG ASP A 102 -8.286 14.130 -0.528 1.00 0.00 C ATOM 1518 OD1 ASP A 102 -8.372 13.651 -1.678 1.00 0.00 O ATOM 1519 OD2 ASP A 102 -9.220 14.096 0.300 1.00 0.00 O ATOM 0 H ASP A 102 -5.658 13.262 1.318 1.00 0.00 H new ATOM 0 HA ASP A 102 -6.044 13.443 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.937 14.850 0.969 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.959 15.808 -0.498 1.00 0.00 H new