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 33 SER OG : rot 32:sc= 0.202 USER MOD Set 1.2: A 91 LYS NZ :NH3+ -123:sc= -0.284 (180deg=-1.25) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -144:sc= -0.0145 (180deg=-0.717) USER MOD Single : A 25 ASN : amide:sc= -0.664 K(o=-0.66,f=-6.5!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.861 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 -57:sc= 1.11 USER MOD Single : A 57 SER OG : rot 127:sc= 0.808 USER MOD Single : A 62 SER OG : rot -100:sc=-0.00179 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.308 K(o=-0.31,f=-2.4!) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.44 F(o=-1.4,f=-0.44) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.779 K(o=-0.78,f=-4.5!) USER MOD Single : A 83 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.31) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc=-0.00546 X(o=-0.0055,f=0) USER MOD Single : A 99 THR OG1 : rot 76:sc= -1.71 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 271 N GLU A 21 -6.063 11.164 6.640 1.00 0.00 N ATOM 272 CA GLU A 21 -5.643 9.959 5.935 1.00 0.00 C ATOM 273 C GLU A 21 -6.839 9.249 5.309 1.00 0.00 C ATOM 274 O GLU A 21 -7.815 8.937 5.991 1.00 0.00 O ATOM 275 CB GLU A 21 -4.915 9.011 6.892 1.00 0.00 C ATOM 276 CG GLU A 21 -3.507 9.464 7.241 1.00 0.00 C ATOM 277 CD GLU A 21 -3.492 10.734 8.069 1.00 0.00 C ATOM 278 OE1 GLU A 21 -4.406 10.911 8.901 1.00 0.00 O ATOM 279 OE2 GLU A 21 -2.567 11.552 7.883 1.00 0.00 O ATOM 0 HA GLU A 21 -4.961 10.254 5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.496 8.918 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.868 8.019 6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.000 8.671 7.790 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.943 9.627 6.322 1.00 0.00 H new ATOM 286 N LYS A 22 -6.755 8.995 4.007 1.00 0.00 N ATOM 287 CA LYS A 22 -7.831 8.321 3.290 1.00 0.00 C ATOM 288 C LYS A 22 -7.471 6.866 3.008 1.00 0.00 C ATOM 289 O LYS A 22 -6.364 6.566 2.560 1.00 0.00 O ATOM 290 CB LYS A 22 -8.129 9.048 1.977 1.00 0.00 C ATOM 291 CG LYS A 22 -9.410 8.585 1.302 1.00 0.00 C ATOM 292 CD LYS A 22 -9.663 9.342 0.008 1.00 0.00 C ATOM 293 CE LYS A 22 -9.262 8.523 -1.207 1.00 0.00 C ATOM 294 NZ LYS A 22 -10.372 7.654 -1.683 1.00 0.00 N ATOM 0 H LYS A 22 -5.954 9.246 3.428 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.721 8.340 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.197 10.118 2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.294 8.901 1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.347 7.517 1.094 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.252 8.729 1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.719 9.603 -0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.103 10.277 0.018 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.955 9.192 -2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.399 7.906 -0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.057 7.112 -2.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.648 6.997 -0.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.188 8.244 -1.944 1.00 0.00 H new ATOM 308 N LYS A 23 -8.412 5.966 3.273 1.00 0.00 N ATOM 309 CA LYS A 23 -8.194 4.542 3.048 1.00 0.00 C ATOM 310 C LYS A 23 -9.139 4.010 1.976 1.00 0.00 C ATOM 311 O LYS A 23 -10.245 4.522 1.799 1.00 0.00 O ATOM 312 CB LYS A 23 -8.391 3.763 4.350 1.00 0.00 C ATOM 313 CG LYS A 23 -7.520 2.522 4.454 1.00 0.00 C ATOM 314 CD LYS A 23 -7.155 2.216 5.897 1.00 0.00 C ATOM 315 CE LYS A 23 -5.707 1.770 6.026 1.00 0.00 C ATOM 316 NZ LYS A 23 -5.577 0.528 6.836 1.00 0.00 N ATOM 0 H LYS A 23 -9.333 6.198 3.644 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.169 4.407 2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.175 4.420 5.193 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.438 3.470 4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.046 1.670 4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.611 2.665 3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.319 3.102 6.510 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.812 1.436 6.282 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.290 1.601 5.033 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.122 2.566 6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.705 0.572 7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.397 0.440 7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.538 -0.297 6.203 1.00 0.00 H new ATOM 330 N VAL A 24 -8.696 2.980 1.263 1.00 0.00 N ATOM 331 CA VAL A 24 -9.502 2.378 0.208 1.00 0.00 C ATOM 332 C VAL A 24 -9.413 0.857 0.248 1.00 0.00 C ATOM 333 O VAL A 24 -8.464 0.267 -0.270 1.00 0.00 O ATOM 334 CB VAL A 24 -9.064 2.870 -1.184 1.00 0.00 C ATOM 335 CG1 VAL A 24 -10.037 2.392 -2.252 1.00 0.00 C ATOM 336 CG2 VAL A 24 -8.945 4.387 -1.200 1.00 0.00 C ATOM 0 H VAL A 24 -7.783 2.545 1.397 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.533 2.684 0.385 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.084 2.449 -1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.710 2.750 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.066 1.302 -2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.032 2.781 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.635 4.717 -2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.910 4.830 -0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.205 4.702 -0.464 1.00 0.00 H new ATOM 346 N ASN A 25 -10.407 0.227 0.866 1.00 0.00 N ATOM 347 CA ASN A 25 -10.440 -1.227 0.974 1.00 0.00 C ATOM 348 C ASN A 25 -10.842 -1.862 -0.353 1.00 0.00 C ATOM 349 O ASN A 25 -11.978 -1.717 -0.803 1.00 0.00 O ATOM 350 CB ASN A 25 -11.414 -1.656 2.073 1.00 0.00 C ATOM 351 CG ASN A 25 -12.813 -1.119 1.848 1.00 0.00 C ATOM 352 OD1 ASN A 25 -13.015 -0.183 1.076 1.00 0.00 O ATOM 353 ND2 ASN A 25 -13.791 -1.713 2.524 1.00 0.00 N ATOM 0 H ASN A 25 -11.200 0.700 1.299 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.438 -1.570 1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.449 -2.744 2.119 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.045 -1.308 3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.754 -1.396 2.413 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.579 -2.486 3.154 1.00 0.00 H new ATOM 360 N LEU A 26 -9.901 -2.566 -0.974 1.00 0.00 N ATOM 361 CA LEU A 26 -10.157 -3.226 -2.249 1.00 0.00 C ATOM 362 C LEU A 26 -9.995 -4.736 -2.123 1.00 0.00 C ATOM 363 O LEU A 26 -8.910 -5.231 -1.818 1.00 0.00 O ATOM 364 CB LEU A 26 -9.209 -2.688 -3.324 1.00 0.00 C ATOM 365 CG LEU A 26 -9.501 -1.260 -3.789 1.00 0.00 C ATOM 366 CD1 LEU A 26 -8.409 -0.772 -4.729 1.00 0.00 C ATOM 367 CD2 LEU A 26 -10.861 -1.188 -4.466 1.00 0.00 C ATOM 0 H LEU A 26 -8.955 -2.694 -0.615 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.186 -3.013 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.189 -2.728 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.251 -3.351 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.518 -0.609 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.633 0.245 -5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.450 -0.786 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.361 -1.425 -5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.052 -0.165 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.872 -1.851 -5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.634 -1.496 -3.762 1.00 0.00 H new ATOM 379 N VAL A 27 -11.081 -5.465 -2.361 1.00 0.00 N ATOM 380 CA VAL A 27 -11.060 -6.920 -2.273 1.00 0.00 C ATOM 381 C VAL A 27 -10.850 -7.549 -3.647 1.00 0.00 C ATOM 382 O VAL A 27 -11.574 -7.249 -4.595 1.00 0.00 O ATOM 383 CB VAL A 27 -12.365 -7.467 -1.666 1.00 0.00 C ATOM 384 CG1 VAL A 27 -12.242 -8.959 -1.392 1.00 0.00 C ATOM 385 CG2 VAL A 27 -12.721 -6.710 -0.395 1.00 0.00 C ATOM 0 H VAL A 27 -11.987 -5.071 -2.616 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.227 -7.185 -1.621 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.170 -7.319 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.174 -9.328 -0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.038 -9.485 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.426 -9.134 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.646 -7.110 0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.918 -6.823 0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.855 -5.653 -0.626 1.00 0.00 H new ATOM 395 N LEU A 28 -9.854 -8.423 -3.745 1.00 0.00 N ATOM 396 CA LEU A 28 -9.550 -9.095 -5.003 1.00 0.00 C ATOM 397 C LEU A 28 -10.060 -10.532 -4.989 1.00 0.00 C ATOM 398 O LEU A 28 -10.675 -10.974 -4.019 1.00 0.00 O ATOM 399 CB LEU A 28 -8.042 -9.077 -5.262 1.00 0.00 C ATOM 400 CG LEU A 28 -7.431 -7.685 -5.429 1.00 0.00 C ATOM 401 CD1 LEU A 28 -5.939 -7.785 -5.704 1.00 0.00 C ATOM 402 CD2 LEU A 28 -8.132 -6.927 -6.546 1.00 0.00 C ATOM 0 H LEU A 28 -9.244 -8.682 -2.970 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.056 -8.558 -5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.541 -9.580 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.836 -9.658 -6.161 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.571 -7.134 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.523 -6.784 -5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.448 -8.288 -4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.775 -8.354 -6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.685 -5.939 -6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.024 -7.476 -7.482 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.190 -6.823 -6.307 1.00 0.00 H new ATOM 464 N SER A 33 -5.983 -7.400 -9.879 1.00 0.00 N ATOM 465 CA SER A 33 -5.027 -6.329 -9.620 1.00 0.00 C ATOM 466 C SER A 33 -5.745 -5.004 -9.388 1.00 0.00 C ATOM 467 O SER A 33 -6.970 -4.923 -9.487 1.00 0.00 O ATOM 468 CB SER A 33 -4.050 -6.195 -10.789 1.00 0.00 C ATOM 469 OG SER A 33 -3.498 -7.453 -11.140 1.00 0.00 O ATOM 0 HA SER A 33 -4.470 -6.583 -8.718 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.564 -5.767 -11.650 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.250 -5.505 -10.521 1.00 0.00 H new ATOM 0 HG SER A 33 -4.157 -8.158 -10.971 1.00 0.00 H new ATOM 475 N LEU A 34 -4.975 -3.965 -9.078 1.00 0.00 N ATOM 476 CA LEU A 34 -5.538 -2.642 -8.832 1.00 0.00 C ATOM 477 C LEU A 34 -5.471 -1.780 -10.087 1.00 0.00 C ATOM 478 O LEU A 34 -6.472 -1.202 -10.509 1.00 0.00 O ATOM 479 CB LEU A 34 -4.795 -1.954 -7.685 1.00 0.00 C ATOM 480 CG LEU A 34 -4.726 -2.756 -6.384 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.404 -2.511 -5.674 1.00 0.00 C ATOM 482 CD2 LEU A 34 -5.894 -2.400 -5.477 1.00 0.00 C ATOM 0 H LEU A 34 -3.960 -4.014 -8.991 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.585 -2.766 -8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.779 -1.733 -8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.279 -0.999 -7.480 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.791 -3.816 -6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.374 -3.090 -4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.582 -2.816 -6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.307 -1.451 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.829 -2.980 -4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.859 -1.337 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.831 -2.628 -5.984 1.00 0.00 H new ATOM 494 N GLY A 35 -4.286 -1.698 -10.681 1.00 0.00 N ATOM 495 CA GLY A 35 -4.111 -0.904 -11.884 1.00 0.00 C ATOM 496 C GLY A 35 -3.526 0.464 -11.595 1.00 0.00 C ATOM 497 O GLY A 35 -3.801 1.427 -12.311 1.00 0.00 O ATOM 0 H GLY A 35 -3.443 -2.167 -10.351 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.458 -1.436 -12.575 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.074 -0.786 -12.381 1.00 0.00 H new ATOM 501 N LEU A 36 -2.718 0.551 -10.544 1.00 0.00 N ATOM 502 CA LEU A 36 -2.093 1.813 -10.163 1.00 0.00 C ATOM 503 C LEU A 36 -0.621 1.833 -10.561 1.00 0.00 C ATOM 504 O LEU A 36 0.149 0.953 -10.178 1.00 0.00 O ATOM 505 CB LEU A 36 -2.230 2.037 -8.655 1.00 0.00 C ATOM 506 CG LEU A 36 -3.667 2.119 -8.140 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.712 1.879 -6.640 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.281 3.468 -8.485 1.00 0.00 C ATOM 0 H LEU A 36 -2.480 -0.237 -9.941 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.603 2.618 -10.691 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.720 1.226 -8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.713 2.960 -8.392 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.252 1.340 -8.629 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.743 1.941 -6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.313 0.889 -6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.112 2.634 -6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.304 3.509 -8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.694 4.263 -8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.285 3.600 -9.567 1.00 0.00 H new ATOM 520 N THR A 37 -0.237 2.845 -11.333 1.00 0.00 N ATOM 521 CA THR A 37 1.143 2.982 -11.784 1.00 0.00 C ATOM 522 C THR A 37 1.936 3.884 -10.844 1.00 0.00 C ATOM 523 O THR A 37 2.168 5.056 -11.141 1.00 0.00 O ATOM 524 CB THR A 37 1.183 3.544 -13.206 1.00 0.00 C ATOM 525 OG1 THR A 37 0.145 2.990 -13.994 1.00 0.00 O ATOM 526 CG2 THR A 37 2.492 3.278 -13.918 1.00 0.00 C ATOM 0 H THR A 37 -0.862 3.582 -11.659 1.00 0.00 H new ATOM 0 HA THR A 37 1.601 1.993 -11.779 1.00 0.00 H new ATOM 0 HB THR A 37 1.061 4.621 -13.094 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.187 3.363 -14.899 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.453 3.703 -14.921 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.309 3.737 -13.361 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.658 2.203 -13.985 1.00 0.00 H new ATOM 534 N ILE A 38 2.347 3.330 -9.708 1.00 0.00 N ATOM 535 CA ILE A 38 3.113 4.085 -8.723 1.00 0.00 C ATOM 536 C ILE A 38 4.519 4.387 -9.233 1.00 0.00 C ATOM 537 O ILE A 38 4.985 3.778 -10.195 1.00 0.00 O ATOM 538 CB ILE A 38 3.215 3.323 -7.389 1.00 0.00 C ATOM 539 CG1 ILE A 38 3.860 1.953 -7.606 1.00 0.00 C ATOM 540 CG2 ILE A 38 1.840 3.174 -6.756 1.00 0.00 C ATOM 541 CD1 ILE A 38 4.712 1.494 -6.443 1.00 0.00 C ATOM 0 H ILE A 38 2.163 2.361 -9.447 1.00 0.00 H new ATOM 0 HA ILE A 38 2.581 5.022 -8.558 1.00 0.00 H new ATOM 0 HB ILE A 38 3.845 3.896 -6.709 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.077 1.216 -7.785 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.476 1.989 -8.505 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.930 2.633 -5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.417 4.161 -6.569 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.187 2.621 -7.431 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.137 0.516 -6.667 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.517 2.210 -6.277 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.097 1.425 -5.546 1.00 0.00 H new ATOM 553 N ARG A 39 5.188 5.331 -8.580 1.00 0.00 N ATOM 554 CA ARG A 39 6.540 5.715 -8.966 1.00 0.00 C ATOM 555 C ARG A 39 7.428 5.888 -7.738 1.00 0.00 C ATOM 556 O ARG A 39 6.964 5.776 -6.603 1.00 0.00 O ATOM 557 CB ARG A 39 6.513 7.013 -9.777 1.00 0.00 C ATOM 558 CG ARG A 39 5.622 8.087 -9.173 1.00 0.00 C ATOM 559 CD ARG A 39 5.714 9.389 -9.952 1.00 0.00 C ATOM 560 NE ARG A 39 5.385 10.547 -9.124 1.00 0.00 N ATOM 561 CZ ARG A 39 5.051 11.739 -9.613 1.00 0.00 C ATOM 562 NH1 ARG A 39 4.999 11.933 -10.925 1.00 0.00 N ATOM 563 NH2 ARG A 39 4.767 12.738 -8.790 1.00 0.00 N ATOM 0 H ARG A 39 4.816 5.844 -7.781 1.00 0.00 H new ATOM 0 HA ARG A 39 6.955 4.918 -9.583 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.528 7.400 -9.862 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.170 6.793 -10.788 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.589 7.740 -9.162 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.911 8.261 -8.136 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.722 9.503 -10.350 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.037 9.349 -10.805 1.00 0.00 H new ATOM 0 HE ARG A 39 5.413 10.435 -8.111 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.215 11.167 -11.563 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.743 12.848 -11.295 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.804 12.594 -7.781 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.511 13.651 -9.166 1.00 0.00 H new ATOM 577 N GLY A 40 8.707 6.164 -7.973 1.00 0.00 N ATOM 578 CA GLY A 40 9.639 6.348 -6.876 1.00 0.00 C ATOM 579 C GLY A 40 9.780 5.107 -6.017 1.00 0.00 C ATOM 580 O GLY A 40 9.016 4.152 -6.164 1.00 0.00 O ATOM 0 H GLY A 40 9.114 6.263 -8.903 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.615 6.622 -7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.304 7.179 -6.255 1.00 0.00 H new ATOM 584 N GLY A 41 10.759 5.120 -5.117 1.00 0.00 N ATOM 585 CA GLY A 41 10.979 3.983 -4.244 1.00 0.00 C ATOM 586 C GLY A 41 12.134 4.204 -3.287 1.00 0.00 C ATOM 587 O GLY A 41 12.635 5.321 -3.157 1.00 0.00 O ATOM 0 H GLY A 41 11.403 5.898 -4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.071 3.785 -3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.176 3.097 -4.848 1.00 0.00 H new ATOM 591 N ALA A 42 12.557 3.138 -2.617 1.00 0.00 N ATOM 592 CA ALA A 42 13.660 3.221 -1.667 1.00 0.00 C ATOM 593 C ALA A 42 14.989 3.423 -2.386 1.00 0.00 C ATOM 594 O ALA A 42 15.718 4.375 -2.107 1.00 0.00 O ATOM 595 CB ALA A 42 13.709 1.967 -0.806 1.00 0.00 C ATOM 0 H ALA A 42 12.153 2.206 -2.714 1.00 0.00 H new ATOM 0 HA ALA A 42 13.490 4.084 -1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.537 2.042 -0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.773 1.866 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.852 1.094 -1.443 1.00 0.00 H new ATOM 601 N GLU A 43 15.298 2.521 -3.313 1.00 0.00 N ATOM 602 CA GLU A 43 16.539 2.601 -4.073 1.00 0.00 C ATOM 603 C GLU A 43 16.614 3.906 -4.860 1.00 0.00 C ATOM 604 O GLU A 43 17.680 4.509 -4.982 1.00 0.00 O ATOM 605 CB GLU A 43 16.657 1.410 -5.026 1.00 0.00 C ATOM 606 CG GLU A 43 18.071 1.168 -5.527 1.00 0.00 C ATOM 607 CD GLU A 43 18.265 -0.235 -6.069 1.00 0.00 C ATOM 608 OE1 GLU A 43 17.710 -0.536 -7.146 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.971 -1.031 -5.416 1.00 0.00 O ATOM 0 H GLU A 43 14.706 1.727 -3.555 1.00 0.00 H new ATOM 0 HA GLU A 43 17.369 2.576 -3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 43 16.302 0.513 -4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.001 1.573 -5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.304 1.891 -6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 43 18.775 1.340 -4.713 1.00 0.00 H new ATOM 616 N TYR A 44 15.475 4.335 -5.393 1.00 0.00 N ATOM 617 CA TYR A 44 15.411 5.568 -6.168 1.00 0.00 C ATOM 618 C TYR A 44 15.567 6.788 -5.265 1.00 0.00 C ATOM 619 O TYR A 44 16.078 7.825 -5.690 1.00 0.00 O ATOM 620 CB TYR A 44 14.085 5.649 -6.928 1.00 0.00 C ATOM 621 CG TYR A 44 13.916 4.565 -7.970 1.00 0.00 C ATOM 622 CD1 TYR A 44 13.526 3.281 -7.606 1.00 0.00 C ATOM 623 CD2 TYR A 44 14.147 4.825 -9.315 1.00 0.00 C ATOM 624 CE1 TYR A 44 13.371 2.288 -8.555 1.00 0.00 C ATOM 625 CE2 TYR A 44 13.993 3.837 -10.268 1.00 0.00 C ATOM 626 CZ TYR A 44 13.605 2.571 -9.884 1.00 0.00 C ATOM 627 OH TYR A 44 13.451 1.585 -10.830 1.00 0.00 O ATOM 0 H TYR A 44 14.584 3.847 -5.302 1.00 0.00 H new ATOM 0 HA TYR A 44 16.233 5.560 -6.884 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.263 5.587 -6.215 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.013 6.622 -7.414 1.00 0.00 H new ATOM 0 HD1 TYR A 44 13.341 3.056 -6.566 1.00 0.00 H new ATOM 0 HD2 TYR A 44 14.452 5.815 -9.620 1.00 0.00 H new ATOM 0 HE1 TYR A 44 13.068 1.295 -8.257 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.176 4.055 -11.310 1.00 0.00 H new ATOM 0 HH TYR A 44 13.653 1.949 -11.717 1.00 0.00 H new ATOM 637 N GLY A 45 15.124 6.658 -4.019 1.00 0.00 N ATOM 638 CA GLY A 45 15.224 7.758 -3.078 1.00 0.00 C ATOM 639 C GLY A 45 14.011 8.665 -3.119 1.00 0.00 C ATOM 640 O GLY A 45 14.115 9.864 -2.859 1.00 0.00 O ATOM 0 H GLY A 45 14.698 5.811 -3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.343 7.361 -2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.118 8.341 -3.299 1.00 0.00 H new ATOM 644 N LEU A 46 12.857 8.093 -3.447 1.00 0.00 N ATOM 645 CA LEU A 46 11.618 8.858 -3.523 1.00 0.00 C ATOM 646 C LEU A 46 10.457 8.071 -2.922 1.00 0.00 C ATOM 647 O LEU A 46 10.457 6.840 -2.933 1.00 0.00 O ATOM 648 CB LEU A 46 11.307 9.221 -4.976 1.00 0.00 C ATOM 649 CG LEU A 46 9.989 9.967 -5.190 1.00 0.00 C ATOM 650 CD1 LEU A 46 10.094 11.394 -4.677 1.00 0.00 C ATOM 651 CD2 LEU A 46 9.602 9.953 -6.661 1.00 0.00 C ATOM 0 H LEU A 46 12.754 7.102 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 46 11.749 9.775 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.121 9.834 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.289 8.305 -5.567 1.00 0.00 H new ATOM 0 HG LEU A 46 9.209 9.457 -4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.147 11.909 -4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.324 11.382 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.886 11.916 -5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.662 10.488 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.382 10.438 -7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.484 8.923 -6.996 1.00 0.00 H new ATOM 663 N GLY A 47 9.469 8.791 -2.400 1.00 0.00 N ATOM 664 CA GLY A 47 8.316 8.143 -1.804 1.00 0.00 C ATOM 665 C GLY A 47 7.519 7.336 -2.809 1.00 0.00 C ATOM 666 O GLY A 47 7.890 7.251 -3.980 1.00 0.00 O ATOM 0 H GLY A 47 9.447 9.811 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.648 7.488 -0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.670 8.898 -1.356 1.00 0.00 H new ATOM 670 N ILE A 48 6.422 6.741 -2.352 1.00 0.00 N ATOM 671 CA ILE A 48 5.571 5.937 -3.221 1.00 0.00 C ATOM 672 C ILE A 48 4.326 6.711 -3.640 1.00 0.00 C ATOM 673 O ILE A 48 3.328 6.740 -2.919 1.00 0.00 O ATOM 674 CB ILE A 48 5.140 4.629 -2.530 1.00 0.00 C ATOM 675 CG1 ILE A 48 6.353 3.923 -1.921 1.00 0.00 C ATOM 676 CG2 ILE A 48 4.431 3.717 -3.520 1.00 0.00 C ATOM 677 CD1 ILE A 48 7.400 3.532 -2.941 1.00 0.00 C ATOM 0 H ILE A 48 6.102 6.800 -1.385 1.00 0.00 H new ATOM 0 HA ILE A 48 6.160 5.695 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 48 4.445 4.872 -1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.808 4.577 -1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.017 3.029 -1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.132 2.797 -3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.547 4.221 -3.910 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.105 3.479 -4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.231 3.037 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.961 2.853 -3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.764 4.425 -3.449 1.00 0.00 H new ATOM 689 N TYR A 49 4.391 7.339 -4.809 1.00 0.00 N ATOM 690 CA TYR A 49 3.270 8.115 -5.325 1.00 0.00 C ATOM 691 C TYR A 49 2.508 7.329 -6.387 1.00 0.00 C ATOM 692 O TYR A 49 2.804 6.162 -6.643 1.00 0.00 O ATOM 693 CB TYR A 49 3.765 9.439 -5.910 1.00 0.00 C ATOM 694 CG TYR A 49 4.547 10.281 -4.928 1.00 0.00 C ATOM 695 CD1 TYR A 49 5.861 9.968 -4.606 1.00 0.00 C ATOM 696 CD2 TYR A 49 3.969 11.390 -4.321 1.00 0.00 C ATOM 697 CE1 TYR A 49 6.578 10.735 -3.708 1.00 0.00 C ATOM 698 CE2 TYR A 49 4.680 12.163 -3.422 1.00 0.00 C ATOM 699 CZ TYR A 49 5.984 11.832 -3.120 1.00 0.00 C ATOM 700 OH TYR A 49 6.696 12.599 -2.225 1.00 0.00 O ATOM 0 H TYR A 49 5.209 7.326 -5.418 1.00 0.00 H new ATOM 0 HA TYR A 49 2.592 8.323 -4.497 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.392 9.231 -6.777 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.909 10.012 -6.266 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.330 9.111 -5.065 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.948 11.652 -4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.599 10.477 -3.468 1.00 0.00 H new ATOM 0 HE2 TYR A 49 4.217 13.021 -2.959 1.00 0.00 H new ATOM 0 HH TYR A 49 6.133 13.334 -1.903 1.00 0.00 H new ATOM 710 N ILE A 50 1.524 7.978 -7.004 1.00 0.00 N ATOM 711 CA ILE A 50 0.719 7.342 -8.039 1.00 0.00 C ATOM 712 C ILE A 50 0.693 8.186 -9.308 1.00 0.00 C ATOM 713 O ILE A 50 0.680 9.416 -9.247 1.00 0.00 O ATOM 714 CB ILE A 50 -0.728 7.108 -7.563 1.00 0.00 C ATOM 715 CG1 ILE A 50 -0.734 6.428 -6.193 1.00 0.00 C ATOM 716 CG2 ILE A 50 -1.492 6.271 -8.578 1.00 0.00 C ATOM 717 CD1 ILE A 50 -2.052 6.558 -5.459 1.00 0.00 C ATOM 0 H ILE A 50 1.266 8.944 -6.804 1.00 0.00 H new ATOM 0 HA ILE A 50 1.183 6.379 -8.253 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.224 8.074 -7.471 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.501 5.371 -6.320 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.058 6.858 -5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.512 6.115 -8.227 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.514 6.791 -9.536 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.999 5.307 -8.700 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.983 6.052 -4.496 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.278 7.613 -5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.845 6.103 -6.052 1.00 0.00 H new ATOM 729 N THR A 51 0.686 7.521 -10.460 1.00 0.00 N ATOM 730 CA THR A 51 0.662 8.213 -11.743 1.00 0.00 C ATOM 731 C THR A 51 0.149 7.298 -12.849 1.00 0.00 C ATOM 732 O THR A 51 0.746 7.209 -13.923 1.00 0.00 O ATOM 733 CB THR A 51 2.059 8.728 -12.093 1.00 0.00 C ATOM 734 OG1 THR A 51 2.063 9.337 -13.372 1.00 0.00 O ATOM 735 CG2 THR A 51 3.113 7.641 -12.097 1.00 0.00 C ATOM 0 H THR A 51 0.697 6.503 -10.530 1.00 0.00 H new ATOM 0 HA THR A 51 -0.019 9.060 -11.658 1.00 0.00 H new ATOM 0 HB THR A 51 2.306 9.448 -11.313 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.743 8.696 -14.041 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.080 8.073 -12.353 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.169 7.185 -11.109 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.849 6.881 -12.833 1.00 0.00 H new ATOM 743 N GLY A 52 -0.962 6.619 -12.583 1.00 0.00 N ATOM 744 CA GLY A 52 -1.535 5.721 -13.567 1.00 0.00 C ATOM 745 C GLY A 52 -2.735 4.963 -13.034 1.00 0.00 C ATOM 746 O GLY A 52 -2.731 4.504 -11.892 1.00 0.00 O ATOM 0 H GLY A 52 -1.475 6.675 -11.703 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.832 6.293 -14.446 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.775 5.010 -13.891 1.00 0.00 H new ATOM 750 N VAL A 53 -3.765 4.830 -13.864 1.00 0.00 N ATOM 751 CA VAL A 53 -4.978 4.123 -13.473 1.00 0.00 C ATOM 752 C VAL A 53 -5.550 3.329 -14.641 1.00 0.00 C ATOM 753 O VAL A 53 -6.133 3.896 -15.565 1.00 0.00 O ATOM 754 CB VAL A 53 -6.053 5.094 -12.952 1.00 0.00 C ATOM 755 CG1 VAL A 53 -7.228 4.327 -12.365 1.00 0.00 C ATOM 756 CG2 VAL A 53 -5.461 6.046 -11.924 1.00 0.00 C ATOM 0 H VAL A 53 -3.783 5.204 -14.813 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.700 3.438 -12.672 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.419 5.685 -13.792 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.977 5.031 -12.002 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.669 3.692 -13.134 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.881 3.708 -11.538 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.236 6.724 -11.568 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.065 5.475 -11.085 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.657 6.622 -12.382 1.00 0.00 H new ATOM 766 N ASP A 54 -5.379 2.012 -14.595 1.00 0.00 N ATOM 767 CA ASP A 54 -5.878 1.137 -15.650 1.00 0.00 C ATOM 768 C ASP A 54 -7.396 1.262 -15.788 1.00 0.00 C ATOM 769 O ASP A 54 -8.141 0.837 -14.904 1.00 0.00 O ATOM 770 CB ASP A 54 -5.498 -0.316 -15.356 1.00 0.00 C ATOM 771 CG ASP A 54 -4.334 -0.791 -16.203 1.00 0.00 C ATOM 772 OD1 ASP A 54 -4.522 -0.964 -17.425 1.00 0.00 O ATOM 773 OD2 ASP A 54 -3.235 -0.992 -15.644 1.00 0.00 O ATOM 0 H ASP A 54 -4.898 1.527 -13.838 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.420 1.442 -16.591 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.241 -0.415 -14.301 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.360 -0.958 -15.536 1.00 0.00 H new ATOM 778 N PRO A 55 -7.879 1.848 -16.899 1.00 0.00 N ATOM 779 CA PRO A 55 -9.316 2.020 -17.137 1.00 0.00 C ATOM 780 C PRO A 55 -10.092 0.719 -16.964 1.00 0.00 C ATOM 781 O PRO A 55 -9.803 -0.280 -17.622 1.00 0.00 O ATOM 782 CB PRO A 55 -9.382 2.492 -18.590 1.00 0.00 C ATOM 783 CG PRO A 55 -8.068 3.146 -18.836 1.00 0.00 C ATOM 784 CD PRO A 55 -7.067 2.386 -18.009 1.00 0.00 C ATOM 0 HA PRO A 55 -9.765 2.716 -16.428 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.542 1.656 -19.271 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.206 3.189 -18.743 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.807 3.112 -19.894 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.095 4.197 -18.548 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.593 1.590 -18.583 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.270 3.035 -17.646 1.00 0.00 H new ATOM 792 N GLY A 56 -11.078 0.738 -16.073 1.00 0.00 N ATOM 793 CA GLY A 56 -11.880 -0.446 -15.830 1.00 0.00 C ATOM 794 C GLY A 56 -11.209 -1.416 -14.877 1.00 0.00 C ATOM 795 O GLY A 56 -11.384 -2.629 -14.991 1.00 0.00 O ATOM 0 H GLY A 56 -11.336 1.552 -15.515 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.846 -0.149 -15.421 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.076 -0.949 -16.777 1.00 0.00 H new ATOM 799 N SER A 57 -10.440 -0.880 -13.935 1.00 0.00 N ATOM 800 CA SER A 57 -9.740 -1.707 -12.959 1.00 0.00 C ATOM 801 C SER A 57 -10.426 -1.640 -11.598 1.00 0.00 C ATOM 802 O SER A 57 -11.483 -1.026 -11.453 1.00 0.00 O ATOM 803 CB SER A 57 -8.283 -1.260 -12.831 1.00 0.00 C ATOM 804 OG SER A 57 -8.194 0.030 -12.252 1.00 0.00 O ATOM 0 H SER A 57 -10.286 0.122 -13.827 1.00 0.00 H new ATOM 0 HA SER A 57 -9.766 -2.739 -13.309 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.732 -1.975 -12.220 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.814 -1.254 -13.815 1.00 0.00 H new ATOM 0 HG SER A 57 -7.585 0.003 -11.485 1.00 0.00 H new ATOM 810 N GLU A 58 -9.816 -2.274 -10.602 1.00 0.00 N ATOM 811 CA GLU A 58 -10.368 -2.287 -9.252 1.00 0.00 C ATOM 812 C GLU A 58 -10.088 -0.968 -8.538 1.00 0.00 C ATOM 813 O GLU A 58 -10.875 -0.523 -7.703 1.00 0.00 O ATOM 814 CB GLU A 58 -9.780 -3.449 -8.449 1.00 0.00 C ATOM 815 CG GLU A 58 -10.580 -4.735 -8.567 1.00 0.00 C ATOM 816 CD GLU A 58 -11.996 -4.591 -8.042 1.00 0.00 C ATOM 817 OE1 GLU A 58 -12.155 -4.328 -6.831 1.00 0.00 O ATOM 818 OE2 GLU A 58 -12.944 -4.743 -8.841 1.00 0.00 O ATOM 0 H GLU A 58 -8.939 -2.785 -10.704 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.448 -2.417 -9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.760 -3.633 -8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.722 -3.162 -7.399 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.613 -5.043 -9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.071 -5.527 -8.017 1.00 0.00 H new ATOM 825 N ALA A 59 -8.962 -0.347 -8.871 1.00 0.00 N ATOM 826 CA ALA A 59 -8.578 0.920 -8.262 1.00 0.00 C ATOM 827 C ALA A 59 -9.380 2.077 -8.849 1.00 0.00 C ATOM 828 O ALA A 59 -9.686 3.048 -8.157 1.00 0.00 O ATOM 829 CB ALA A 59 -7.087 1.163 -8.446 1.00 0.00 C ATOM 0 H ALA A 59 -8.299 -0.701 -9.560 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.798 0.864 -7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.814 2.113 -7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.526 0.357 -7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.852 1.194 -9.510 1.00 0.00 H new ATOM 835 N GLU A 60 -9.718 1.966 -10.130 1.00 0.00 N ATOM 836 CA GLU A 60 -10.486 3.003 -10.811 1.00 0.00 C ATOM 837 C GLU A 60 -11.954 2.948 -10.404 1.00 0.00 C ATOM 838 O GLU A 60 -12.622 3.978 -10.310 1.00 0.00 O ATOM 839 CB GLU A 60 -10.358 2.848 -12.328 1.00 0.00 C ATOM 840 CG GLU A 60 -11.036 3.961 -13.111 1.00 0.00 C ATOM 841 CD GLU A 60 -12.040 3.438 -14.119 1.00 0.00 C ATOM 842 OE1 GLU A 60 -12.605 2.349 -13.883 1.00 0.00 O ATOM 843 OE2 GLU A 60 -12.262 4.117 -15.143 1.00 0.00 O ATOM 0 H GLU A 60 -9.472 1.169 -10.717 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.083 3.972 -10.517 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.301 2.819 -12.594 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.788 1.892 -12.625 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.540 4.633 -12.417 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.278 4.548 -13.630 1.00 0.00 H new ATOM 850 N GLY A 61 -12.452 1.740 -10.164 1.00 0.00 N ATOM 851 CA GLY A 61 -13.838 1.574 -9.770 1.00 0.00 C ATOM 852 C GLY A 61 -14.131 2.173 -8.410 1.00 0.00 C ATOM 853 O GLY A 61 -15.256 2.590 -8.137 1.00 0.00 O ATOM 0 H GLY A 61 -11.920 0.873 -10.235 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.482 2.040 -10.515 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.084 0.512 -9.756 1.00 0.00 H new ATOM 857 N SER A 62 -13.116 2.214 -7.552 1.00 0.00 N ATOM 858 CA SER A 62 -13.270 2.766 -6.212 1.00 0.00 C ATOM 859 C SER A 62 -13.188 4.290 -6.238 1.00 0.00 C ATOM 860 O SER A 62 -14.166 4.979 -5.945 1.00 0.00 O ATOM 861 CB SER A 62 -12.198 2.198 -5.278 1.00 0.00 C ATOM 862 OG SER A 62 -12.781 1.601 -4.133 1.00 0.00 O ATOM 0 H SER A 62 -12.178 1.871 -7.762 1.00 0.00 H new ATOM 0 HA SER A 62 -14.254 2.481 -5.838 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.601 1.459 -5.812 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.520 2.994 -4.971 1.00 0.00 H new ATOM 0 HG SER A 62 -12.726 2.222 -3.377 1.00 0.00 H new ATOM 868 N GLY A 63 -12.016 4.808 -6.589 1.00 0.00 N ATOM 869 CA GLY A 63 -11.828 6.245 -6.646 1.00 0.00 C ATOM 870 C GLY A 63 -10.378 6.648 -6.463 1.00 0.00 C ATOM 871 O GLY A 63 -10.055 7.447 -5.584 1.00 0.00 O ATOM 0 H GLY A 63 -11.193 4.258 -6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.187 6.617 -7.605 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.434 6.718 -5.873 1.00 0.00 H new ATOM 875 N LEU A 64 -9.502 6.095 -7.295 1.00 0.00 N ATOM 876 CA LEU A 64 -8.078 6.400 -7.221 1.00 0.00 C ATOM 877 C LEU A 64 -7.633 7.214 -8.432 1.00 0.00 C ATOM 878 O LEU A 64 -7.777 6.777 -9.574 1.00 0.00 O ATOM 879 CB LEU A 64 -7.262 5.109 -7.131 1.00 0.00 C ATOM 880 CG LEU A 64 -6.986 4.616 -5.709 1.00 0.00 C ATOM 881 CD1 LEU A 64 -7.046 3.097 -5.647 1.00 0.00 C ATOM 882 CD2 LEU A 64 -5.634 5.117 -5.225 1.00 0.00 C ATOM 0 H LEU A 64 -9.753 5.433 -8.029 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.905 6.993 -6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.789 4.325 -7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.309 5.263 -7.637 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.758 5.016 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.847 2.766 -4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.037 2.759 -5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.297 2.676 -6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.454 4.757 -4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.851 4.747 -5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.627 6.207 -5.229 1.00 0.00 H new ATOM 894 N LYS A 65 -7.091 8.399 -8.174 1.00 0.00 N ATOM 895 CA LYS A 65 -6.623 9.275 -9.243 1.00 0.00 C ATOM 896 C LYS A 65 -5.100 9.281 -9.314 1.00 0.00 C ATOM 897 O LYS A 65 -4.430 8.585 -8.551 1.00 0.00 O ATOM 898 CB LYS A 65 -7.141 10.698 -9.027 1.00 0.00 C ATOM 899 CG LYS A 65 -8.595 10.885 -9.430 1.00 0.00 C ATOM 900 CD LYS A 65 -9.541 10.306 -8.390 1.00 0.00 C ATOM 901 CE LYS A 65 -10.750 11.201 -8.175 1.00 0.00 C ATOM 902 NZ LYS A 65 -11.377 10.981 -6.843 1.00 0.00 N ATOM 0 H LYS A 65 -6.965 8.775 -7.234 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.011 8.894 -10.188 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.028 10.961 -7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.523 11.391 -9.597 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.803 11.947 -9.562 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.772 10.404 -10.392 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.871 9.317 -8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.011 10.177 -7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.449 12.245 -8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.485 11.012 -8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.198 11.611 -6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.688 9.992 -6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.684 11.186 -6.095 1.00 0.00 H new ATOM 916 N VAL A 66 -4.559 10.071 -10.235 1.00 0.00 N ATOM 917 CA VAL A 66 -3.115 10.168 -10.406 1.00 0.00 C ATOM 918 C VAL A 66 -2.550 11.361 -9.643 1.00 0.00 C ATOM 919 O VAL A 66 -3.039 12.484 -9.776 1.00 0.00 O ATOM 920 CB VAL A 66 -2.731 10.296 -11.892 1.00 0.00 C ATOM 921 CG1 VAL A 66 -2.916 8.967 -12.609 1.00 0.00 C ATOM 922 CG2 VAL A 66 -3.550 11.390 -12.563 1.00 0.00 C ATOM 0 H VAL A 66 -5.099 10.653 -10.875 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.688 9.248 -10.006 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.678 10.572 -11.953 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.640 9.078 -13.658 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.282 8.212 -12.144 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.959 8.658 -12.539 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.265 11.466 -13.612 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.610 11.147 -12.492 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.362 12.342 -12.066 1.00 0.00 H new ATOM 932 N GLY A 67 -1.518 11.112 -8.843 1.00 0.00 N ATOM 933 CA GLY A 67 -0.903 12.176 -8.072 1.00 0.00 C ATOM 934 C GLY A 67 -0.898 11.883 -6.583 1.00 0.00 C ATOM 935 O GLY A 67 -0.029 12.360 -5.854 1.00 0.00 O ATOM 0 H GLY A 67 -1.097 10.192 -8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.121 12.323 -8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.437 13.109 -8.254 1.00 0.00 H new ATOM 939 N ASP A 68 -1.869 11.096 -6.133 1.00 0.00 N ATOM 940 CA ASP A 68 -1.973 10.740 -4.722 1.00 0.00 C ATOM 941 C ASP A 68 -0.717 10.016 -4.250 1.00 0.00 C ATOM 942 O ASP A 68 0.030 9.456 -5.053 1.00 0.00 O ATOM 943 CB ASP A 68 -3.203 9.860 -4.487 1.00 0.00 C ATOM 944 CG ASP A 68 -4.436 10.671 -4.142 1.00 0.00 C ATOM 945 OD1 ASP A 68 -4.899 11.444 -5.007 1.00 0.00 O ATOM 946 OD2 ASP A 68 -4.938 10.533 -3.007 1.00 0.00 O ATOM 0 H ASP A 68 -2.595 10.692 -6.724 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.077 11.660 -4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.399 9.268 -5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.995 9.158 -3.679 1.00 0.00 H new ATOM 951 N GLN A 69 -0.490 10.030 -2.940 1.00 0.00 N ATOM 952 CA GLN A 69 0.677 9.375 -2.359 1.00 0.00 C ATOM 953 C GLN A 69 0.258 8.231 -1.442 1.00 0.00 C ATOM 954 O GLN A 69 -0.467 8.435 -0.468 1.00 0.00 O ATOM 955 CB GLN A 69 1.519 10.386 -1.579 1.00 0.00 C ATOM 956 CG GLN A 69 2.886 9.856 -1.177 1.00 0.00 C ATOM 957 CD GLN A 69 3.234 10.174 0.265 1.00 0.00 C ATOM 958 OE1 GLN A 69 2.358 10.469 1.077 1.00 0.00 O ATOM 959 NE2 GLN A 69 4.521 10.116 0.589 1.00 0.00 N ATOM 0 H GLN A 69 -1.098 10.487 -2.261 1.00 0.00 H new ATOM 0 HA GLN A 69 1.275 8.965 -3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.650 11.282 -2.185 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.976 10.684 -0.682 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.910 8.776 -1.323 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.645 10.283 -1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.214 9.867 -0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.816 10.321 1.544 1.00 0.00 H new ATOM 968 N ILE A 70 0.720 7.026 -1.758 1.00 0.00 N ATOM 969 CA ILE A 70 0.394 5.849 -0.963 1.00 0.00 C ATOM 970 C ILE A 70 1.211 5.812 0.324 1.00 0.00 C ATOM 971 O ILE A 70 2.396 5.479 0.309 1.00 0.00 O ATOM 972 CB ILE A 70 0.642 4.549 -1.752 1.00 0.00 C ATOM 973 CG1 ILE A 70 -0.002 4.636 -3.137 1.00 0.00 C ATOM 974 CG2 ILE A 70 0.102 3.351 -0.985 1.00 0.00 C ATOM 975 CD1 ILE A 70 0.238 3.412 -3.994 1.00 0.00 C ATOM 0 H ILE A 70 1.322 6.839 -2.560 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.666 5.918 -0.717 1.00 0.00 H new ATOM 0 HB ILE A 70 1.717 4.419 -1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.076 4.783 -3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.386 5.513 -3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.285 2.441 -1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.603 3.281 -0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.970 3.472 -0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.247 3.544 -4.961 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.309 3.275 -4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.175 2.534 -3.498 1.00 0.00 H new ATOM 987 N LEU A 71 0.569 6.157 1.436 1.00 0.00 N ATOM 988 CA LEU A 71 1.238 6.164 2.733 1.00 0.00 C ATOM 989 C LEU A 71 1.589 4.746 3.172 1.00 0.00 C ATOM 990 O LEU A 71 2.738 4.454 3.502 1.00 0.00 O ATOM 991 CB LEU A 71 0.349 6.830 3.784 1.00 0.00 C ATOM 992 CG LEU A 71 -0.063 8.269 3.466 1.00 0.00 C ATOM 993 CD1 LEU A 71 -1.351 8.626 4.191 1.00 0.00 C ATOM 994 CD2 LEU A 71 1.050 9.235 3.842 1.00 0.00 C ATOM 0 H LEU A 71 -0.412 6.435 1.465 1.00 0.00 H new ATOM 0 HA LEU A 71 2.162 6.733 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.552 6.229 3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.873 6.821 4.740 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.240 8.350 2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.630 9.653 3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.146 7.952 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.202 8.530 5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.741 10.254 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.258 9.153 4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.950 8.991 3.277 1.00 0.00 H new ATOM 1006 N GLU A 72 0.591 3.867 3.172 1.00 0.00 N ATOM 1007 CA GLU A 72 0.795 2.480 3.570 1.00 0.00 C ATOM 1008 C GLU A 72 -0.309 1.585 3.015 1.00 0.00 C ATOM 1009 O GLU A 72 -1.389 2.060 2.664 1.00 0.00 O ATOM 1010 CB GLU A 72 0.841 2.367 5.095 1.00 0.00 C ATOM 1011 CG GLU A 72 -0.368 2.977 5.786 1.00 0.00 C ATOM 1012 CD GLU A 72 -0.112 4.391 6.270 1.00 0.00 C ATOM 1013 OE1 GLU A 72 0.874 4.595 7.009 1.00 0.00 O ATOM 1014 OE2 GLU A 72 -0.896 5.294 5.908 1.00 0.00 O ATOM 0 H GLU A 72 -0.366 4.092 2.901 1.00 0.00 H new ATOM 0 HA GLU A 72 1.748 2.147 3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.915 1.315 5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.744 2.857 5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.212 2.980 5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.651 2.353 6.633 1.00 0.00 H new ATOM 1021 N VAL A 73 -0.030 0.288 2.940 1.00 0.00 N ATOM 1022 CA VAL A 73 -0.999 -0.674 2.430 1.00 0.00 C ATOM 1023 C VAL A 73 -0.990 -1.954 3.258 1.00 0.00 C ATOM 1024 O VAL A 73 0.068 -2.520 3.533 1.00 0.00 O ATOM 1025 CB VAL A 73 -0.718 -1.026 0.957 1.00 0.00 C ATOM 1026 CG1 VAL A 73 -1.851 -1.864 0.384 1.00 0.00 C ATOM 1027 CG2 VAL A 73 -0.509 0.236 0.136 1.00 0.00 C ATOM 0 H VAL A 73 0.860 -0.121 3.226 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.980 -0.205 2.503 1.00 0.00 H new ATOM 0 HB VAL A 73 0.198 -1.615 0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.636 -2.103 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.946 -2.787 0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.784 -1.303 0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.312 -0.033 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.405 0.855 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.340 0.793 0.534 1.00 0.00 H new ATOM 1037 N ASN A 74 -2.176 -2.407 3.652 1.00 0.00 N ATOM 1038 CA ASN A 74 -2.304 -3.621 4.449 1.00 0.00 C ATOM 1039 C ASN A 74 -1.562 -3.483 5.774 1.00 0.00 C ATOM 1040 O ASN A 74 -1.055 -4.464 6.319 1.00 0.00 O ATOM 1041 CB ASN A 74 -1.766 -4.825 3.671 1.00 0.00 C ATOM 1042 CG ASN A 74 -2.858 -5.559 2.917 1.00 0.00 C ATOM 1043 OD1 ASN A 74 -2.720 -5.632 1.599 1.00 0.00 O flip ATOM 1044 ND2 ASN A 74 -3.813 -6.055 3.513 1.00 0.00 N flip ATOM 0 H ASN A 74 -3.062 -1.951 3.432 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.362 -3.777 4.661 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -1.005 -4.489 2.967 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.279 -5.513 4.362 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.878 -5.975 4.528 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.539 -6.547 2.992 1.00 0.00 H new ATOM 1051 N GLY A 75 -1.501 -2.259 6.287 1.00 0.00 N ATOM 1052 CA GLY A 75 -0.819 -2.014 7.545 1.00 0.00 C ATOM 1053 C GLY A 75 0.684 -2.182 7.432 1.00 0.00 C ATOM 1054 O GLY A 75 1.352 -2.522 8.408 1.00 0.00 O ATOM 0 H GLY A 75 -1.912 -1.432 5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.044 -1.003 7.886 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.202 -2.698 8.302 1.00 0.00 H new ATOM 1058 N ARG A 76 1.216 -1.942 6.237 1.00 0.00 N ATOM 1059 CA ARG A 76 2.650 -2.068 5.999 1.00 0.00 C ATOM 1060 C ARG A 76 3.254 -0.728 5.594 1.00 0.00 C ATOM 1061 O ARG A 76 2.652 0.031 4.833 1.00 0.00 O ATOM 1062 CB ARG A 76 2.918 -3.112 4.914 1.00 0.00 C ATOM 1063 CG ARG A 76 4.397 -3.350 4.652 1.00 0.00 C ATOM 1064 CD ARG A 76 4.816 -4.757 5.046 1.00 0.00 C ATOM 1065 NE ARG A 76 5.935 -5.241 4.240 1.00 0.00 N ATOM 1066 CZ ARG A 76 6.301 -6.520 4.171 1.00 0.00 C ATOM 1067 NH1 ARG A 76 5.640 -7.444 4.857 1.00 0.00 N ATOM 1068 NH2 ARG A 76 7.330 -6.874 3.413 1.00 0.00 N ATOM 0 H ARG A 76 0.676 -1.659 5.419 1.00 0.00 H new ATOM 0 HA ARG A 76 3.121 -2.391 6.928 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.453 -4.054 5.205 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.440 -2.793 3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.610 -3.189 3.595 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.987 -2.624 5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.096 -4.770 6.099 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.968 -5.433 4.932 1.00 0.00 H new ATOM 0 HE ARG A 76 6.467 -4.560 3.699 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.847 -7.176 5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.924 -8.422 4.801 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.840 -6.167 2.884 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.611 -7.853 3.360 1.00 0.00 H new ATOM 1082 N SER A 77 4.447 -0.443 6.106 1.00 0.00 N ATOM 1083 CA SER A 77 5.133 0.807 5.796 1.00 0.00 C ATOM 1084 C SER A 77 5.532 0.858 4.324 1.00 0.00 C ATOM 1085 O SER A 77 6.151 -0.071 3.806 1.00 0.00 O ATOM 1086 CB SER A 77 6.372 0.964 6.678 1.00 0.00 C ATOM 1087 OG SER A 77 6.720 2.329 6.830 1.00 0.00 O ATOM 0 H SER A 77 4.959 -1.060 6.737 1.00 0.00 H new ATOM 0 HA SER A 77 4.446 1.629 5.996 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.184 0.522 7.657 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.207 0.419 6.238 1.00 0.00 H new ATOM 0 HG SER A 77 7.514 2.403 7.399 1.00 0.00 H new ATOM 1093 N PHE A 78 5.173 1.950 3.657 1.00 0.00 N ATOM 1094 CA PHE A 78 5.494 2.124 2.245 1.00 0.00 C ATOM 1095 C PHE A 78 6.301 3.399 2.023 1.00 0.00 C ATOM 1096 O PHE A 78 6.204 4.031 0.971 1.00 0.00 O ATOM 1097 CB PHE A 78 4.212 2.163 1.411 1.00 0.00 C ATOM 1098 CG PHE A 78 3.824 0.827 0.845 1.00 0.00 C ATOM 1099 CD1 PHE A 78 3.481 -0.222 1.684 1.00 0.00 C ATOM 1100 CD2 PHE A 78 3.801 0.620 -0.525 1.00 0.00 C ATOM 1101 CE1 PHE A 78 3.123 -1.452 1.166 1.00 0.00 C ATOM 1102 CE2 PHE A 78 3.444 -0.609 -1.048 1.00 0.00 C ATOM 1103 CZ PHE A 78 3.104 -1.646 -0.201 1.00 0.00 C ATOM 0 H PHE A 78 4.660 2.728 4.072 1.00 0.00 H new ATOM 0 HA PHE A 78 6.099 1.275 1.928 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.397 2.537 2.030 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.342 2.871 0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.494 -0.076 2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.065 1.428 -1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.858 -2.261 1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.431 -0.758 -2.118 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.824 -2.607 -0.607 1.00 0.00 H new ATOM 1113 N LEU A 79 7.096 3.772 3.020 1.00 0.00 N ATOM 1114 CA LEU A 79 7.920 4.972 2.933 1.00 0.00 C ATOM 1115 C LEU A 79 9.315 4.637 2.416 1.00 0.00 C ATOM 1116 O LEU A 79 9.793 5.239 1.455 1.00 0.00 O ATOM 1117 CB LEU A 79 8.018 5.650 4.301 1.00 0.00 C ATOM 1118 CG LEU A 79 6.813 6.510 4.684 1.00 0.00 C ATOM 1119 CD1 LEU A 79 6.898 6.927 6.144 1.00 0.00 C ATOM 1120 CD2 LEU A 79 6.725 7.733 3.784 1.00 0.00 C ATOM 0 H LEU A 79 7.187 3.261 3.898 1.00 0.00 H new ATOM 0 HA LEU A 79 7.447 5.657 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.153 4.881 5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.911 6.275 4.317 1.00 0.00 H new ATOM 0 HG LEU A 79 5.909 5.917 4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.032 7.538 6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.914 6.039 6.776 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.809 7.503 6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.862 8.334 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.632 8.328 3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.618 7.415 2.747 1.00 0.00 H new ATOM 1132 N ASN A 80 9.965 3.673 3.062 1.00 0.00 N ATOM 1133 CA ASN A 80 11.305 3.259 2.668 1.00 0.00 C ATOM 1134 C ASN A 80 11.268 1.919 1.939 1.00 0.00 C ATOM 1135 O ASN A 80 12.209 1.130 2.021 1.00 0.00 O ATOM 1136 CB ASN A 80 12.212 3.158 3.895 1.00 0.00 C ATOM 1137 CG ASN A 80 11.717 2.136 4.899 1.00 0.00 C ATOM 1138 OD1 ASN A 80 10.808 1.357 4.612 1.00 0.00 O ATOM 1139 ND2 ASN A 80 12.315 2.133 6.085 1.00 0.00 N ATOM 0 H ASN A 80 9.584 3.165 3.860 1.00 0.00 H new ATOM 0 HA ASN A 80 11.705 4.012 1.989 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.220 2.892 3.577 1.00 0.00 H new ATOM 0 HB3 ASN A 80 12.277 4.134 4.376 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.025 1.467 6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.064 2.797 6.280 1.00 0.00 H new ATOM 1146 N ILE A 81 10.175 1.669 1.225 1.00 0.00 N ATOM 1147 CA ILE A 81 10.014 0.426 0.482 1.00 0.00 C ATOM 1148 C ILE A 81 10.556 0.562 -0.939 1.00 0.00 C ATOM 1149 O ILE A 81 10.512 1.641 -1.530 1.00 0.00 O ATOM 1150 CB ILE A 81 8.535 -0.007 0.423 1.00 0.00 C ATOM 1151 CG1 ILE A 81 8.402 -1.364 -0.269 1.00 0.00 C ATOM 1152 CG2 ILE A 81 7.700 1.045 -0.292 1.00 0.00 C ATOM 1153 CD1 ILE A 81 7.252 -2.199 0.253 1.00 0.00 C ATOM 0 H ILE A 81 9.387 2.312 1.146 1.00 0.00 H new ATOM 0 HA ILE A 81 10.584 -0.337 1.012 1.00 0.00 H new ATOM 0 HB ILE A 81 8.162 -0.105 1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.269 -1.206 -1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.331 -1.920 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.659 0.723 -0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.771 1.991 0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 81 8.071 1.175 -1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.218 -3.147 -0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.394 -2.389 1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.315 -1.663 0.101 1.00 0.00 H new ATOM 1165 N LEU A 82 11.065 -0.539 -1.481 1.00 0.00 N ATOM 1166 CA LEU A 82 11.613 -0.544 -2.832 1.00 0.00 C ATOM 1167 C LEU A 82 10.507 -0.380 -3.869 1.00 0.00 C ATOM 1168 O LEU A 82 9.369 -0.794 -3.648 1.00 0.00 O ATOM 1169 CB LEU A 82 12.381 -1.841 -3.090 1.00 0.00 C ATOM 1170 CG LEU A 82 13.665 -2.007 -2.274 1.00 0.00 C ATOM 1171 CD1 LEU A 82 13.971 -3.480 -2.055 1.00 0.00 C ATOM 1172 CD2 LEU A 82 14.828 -1.316 -2.968 1.00 0.00 C ATOM 0 H LEU A 82 11.109 -1.440 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 82 12.298 0.299 -2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.723 -2.683 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.633 -1.892 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 82 13.519 -1.540 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.887 -3.579 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.147 -3.947 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.099 -3.972 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.733 -1.444 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.976 -1.755 -3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.610 -0.253 -3.073 1.00 0.00 H new ATOM 1184 N HIS A 83 10.848 0.228 -5.001 1.00 0.00 N ATOM 1185 CA HIS A 83 9.884 0.447 -6.072 1.00 0.00 C ATOM 1186 C HIS A 83 9.367 -0.880 -6.618 1.00 0.00 C ATOM 1187 O HIS A 83 8.175 -1.028 -6.888 1.00 0.00 O ATOM 1188 CB HIS A 83 10.519 1.263 -7.199 1.00 0.00 C ATOM 1189 CG HIS A 83 9.534 1.740 -8.220 1.00 0.00 C ATOM 1190 ND1 HIS A 83 8.177 1.806 -7.985 1.00 0.00 N ATOM 1191 CD2 HIS A 83 9.715 2.177 -9.490 1.00 0.00 C ATOM 1192 CE1 HIS A 83 7.565 2.261 -9.064 1.00 0.00 C ATOM 1193 NE2 HIS A 83 8.476 2.495 -9.991 1.00 0.00 N ATOM 0 H HIS A 83 11.785 0.578 -5.200 1.00 0.00 H new ATOM 0 HA HIS A 83 9.041 1.003 -5.661 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.030 2.124 -6.769 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.277 0.656 -7.693 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.657 2.260 -10.011 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.501 2.415 -9.170 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.290 2.854 -10.927 1.00 0.00 H new ATOM 1202 N ASP A 84 10.271 -1.840 -6.779 1.00 0.00 N ATOM 1203 CA ASP A 84 9.905 -3.155 -7.294 1.00 0.00 C ATOM 1204 C ASP A 84 9.042 -3.912 -6.289 1.00 0.00 C ATOM 1205 O ASP A 84 8.067 -4.565 -6.660 1.00 0.00 O ATOM 1206 CB ASP A 84 11.161 -3.966 -7.617 1.00 0.00 C ATOM 1207 CG ASP A 84 12.157 -3.971 -6.475 1.00 0.00 C ATOM 1208 OD1 ASP A 84 11.940 -4.723 -5.502 1.00 0.00 O ATOM 1209 OD2 ASP A 84 13.154 -3.223 -6.552 1.00 0.00 O ATOM 0 H ASP A 84 11.262 -1.733 -6.561 1.00 0.00 H new ATOM 0 HA ASP A 84 9.327 -3.012 -8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.877 -4.992 -7.852 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.636 -3.555 -8.508 1.00 0.00 H new ATOM 1214 N GLU A 85 9.409 -3.820 -5.015 1.00 0.00 N ATOM 1215 CA GLU A 85 8.668 -4.495 -3.956 1.00 0.00 C ATOM 1216 C GLU A 85 7.263 -3.918 -3.820 1.00 0.00 C ATOM 1217 O GLU A 85 6.316 -4.633 -3.492 1.00 0.00 O ATOM 1218 CB GLU A 85 9.413 -4.372 -2.625 1.00 0.00 C ATOM 1219 CG GLU A 85 9.004 -5.417 -1.600 1.00 0.00 C ATOM 1220 CD GLU A 85 9.767 -5.284 -0.297 1.00 0.00 C ATOM 1221 OE1 GLU A 85 10.900 -5.803 -0.215 1.00 0.00 O ATOM 1222 OE2 GLU A 85 9.231 -4.659 0.644 1.00 0.00 O ATOM 0 H GLU A 85 10.215 -3.285 -4.691 1.00 0.00 H new ATOM 0 HA GLU A 85 8.584 -5.549 -4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.484 -4.455 -2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.237 -3.380 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.936 -5.328 -1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.170 -6.412 -2.014 1.00 0.00 H new ATOM 1229 N ALA A 86 7.135 -2.620 -4.075 1.00 0.00 N ATOM 1230 CA ALA A 86 5.846 -1.946 -3.980 1.00 0.00 C ATOM 1231 C ALA A 86 4.918 -2.375 -5.113 1.00 0.00 C ATOM 1232 O ALA A 86 3.698 -2.411 -4.949 1.00 0.00 O ATOM 1233 CB ALA A 86 6.037 -0.438 -3.996 1.00 0.00 C ATOM 0 H ALA A 86 7.908 -2.014 -4.349 1.00 0.00 H new ATOM 0 HA ALA A 86 5.382 -2.233 -3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.066 0.052 -3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.657 -0.141 -3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.525 -0.143 -4.925 1.00 0.00 H new ATOM 1239 N VAL A 87 5.504 -2.699 -6.260 1.00 0.00 N ATOM 1240 CA VAL A 87 4.729 -3.125 -7.419 1.00 0.00 C ATOM 1241 C VAL A 87 4.275 -4.574 -7.275 1.00 0.00 C ATOM 1242 O VAL A 87 3.173 -4.934 -7.690 1.00 0.00 O ATOM 1243 CB VAL A 87 5.540 -2.981 -8.722 1.00 0.00 C ATOM 1244 CG1 VAL A 87 4.668 -3.277 -9.933 1.00 0.00 C ATOM 1245 CG2 VAL A 87 6.148 -1.589 -8.823 1.00 0.00 C ATOM 0 H VAL A 87 6.512 -2.675 -6.412 1.00 0.00 H new ATOM 0 HA VAL A 87 3.855 -2.476 -7.470 1.00 0.00 H new ATOM 0 HB VAL A 87 6.352 -3.708 -8.702 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.260 -3.170 -10.842 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.287 -4.296 -9.866 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.832 -2.578 -9.959 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.717 -1.507 -9.749 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.353 -0.843 -8.818 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.810 -1.419 -7.974 1.00 0.00 H new ATOM 1255 N ARG A 88 5.131 -5.401 -6.685 1.00 0.00 N ATOM 1256 CA ARG A 88 4.817 -6.811 -6.485 1.00 0.00 C ATOM 1257 C ARG A 88 3.909 -7.002 -5.274 1.00 0.00 C ATOM 1258 O ARG A 88 2.975 -7.803 -5.305 1.00 0.00 O ATOM 1259 CB ARG A 88 6.102 -7.621 -6.308 1.00 0.00 C ATOM 1260 CG ARG A 88 6.591 -8.275 -7.591 1.00 0.00 C ATOM 1261 CD ARG A 88 7.483 -7.339 -8.393 1.00 0.00 C ATOM 1262 NE ARG A 88 8.774 -7.948 -8.705 1.00 0.00 N ATOM 1263 CZ ARG A 88 8.956 -8.845 -9.671 1.00 0.00 C ATOM 1264 NH1 ARG A 88 7.935 -9.240 -10.421 1.00 0.00 N ATOM 1265 NH2 ARG A 88 10.164 -9.348 -9.888 1.00 0.00 N ATOM 0 H ARG A 88 6.048 -5.119 -6.337 1.00 0.00 H new ATOM 0 HA ARG A 88 4.290 -7.168 -7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.884 -6.967 -5.923 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.934 -8.393 -5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.141 -9.184 -7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.735 -8.572 -8.198 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.979 -7.063 -9.319 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.642 -6.419 -7.830 1.00 0.00 H new ATOM 0 HE ARG A 88 9.583 -7.669 -8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.004 -8.856 -10.259 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.081 -9.928 -11.160 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.952 -9.047 -9.315 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.305 -10.036 -10.628 1.00 0.00 H new ATOM 1279 N LEU A 89 4.190 -6.259 -4.207 1.00 0.00 N ATOM 1280 CA LEU A 89 3.398 -6.347 -2.985 1.00 0.00 C ATOM 1281 C LEU A 89 1.941 -5.983 -3.254 1.00 0.00 C ATOM 1282 O LEU A 89 1.026 -6.612 -2.722 1.00 0.00 O ATOM 1283 CB LEU A 89 3.976 -5.425 -1.911 1.00 0.00 C ATOM 1284 CG LEU A 89 3.342 -5.566 -0.526 1.00 0.00 C ATOM 1285 CD1 LEU A 89 3.426 -7.006 -0.045 1.00 0.00 C ATOM 1286 CD2 LEU A 89 4.014 -4.630 0.466 1.00 0.00 C ATOM 0 H LEU A 89 4.959 -5.590 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 89 3.437 -7.377 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.045 -5.618 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.864 -4.392 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 89 2.290 -5.290 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.970 -7.087 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.897 -7.654 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.471 -7.310 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.550 -4.744 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.074 -4.874 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.900 -3.600 0.129 1.00 0.00 H new ATOM 1298 N LEU A 90 1.734 -4.964 -4.081 1.00 0.00 N ATOM 1299 CA LEU A 90 0.388 -4.517 -4.419 1.00 0.00 C ATOM 1300 C LEU A 90 -0.304 -5.519 -5.337 1.00 0.00 C ATOM 1301 O LEU A 90 -1.524 -5.675 -5.295 1.00 0.00 O ATOM 1302 CB LEU A 90 0.438 -3.143 -5.091 1.00 0.00 C ATOM 1303 CG LEU A 90 0.473 -1.953 -4.130 1.00 0.00 C ATOM 1304 CD1 LEU A 90 1.080 -0.736 -4.810 1.00 0.00 C ATOM 1305 CD2 LEU A 90 -0.926 -1.640 -3.621 1.00 0.00 C ATOM 0 H LEU A 90 2.480 -4.433 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.185 -4.442 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.320 -3.100 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.432 -3.041 -5.740 1.00 0.00 H new ATOM 0 HG LEU A 90 1.099 -2.216 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.097 0.101 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.098 -0.965 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.481 -0.469 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.883 -0.791 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.574 -1.396 -4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.325 -2.508 -3.096 1.00 0.00 H new ATOM 1317 N LYS A 91 0.483 -6.195 -6.168 1.00 0.00 N ATOM 1318 CA LYS A 91 -0.054 -7.182 -7.097 1.00 0.00 C ATOM 1319 C LYS A 91 0.322 -8.597 -6.666 1.00 0.00 C ATOM 1320 O LYS A 91 1.233 -9.206 -7.226 1.00 0.00 O ATOM 1321 CB LYS A 91 0.461 -6.914 -8.513 1.00 0.00 C ATOM 1322 CG LYS A 91 0.416 -5.447 -8.910 1.00 0.00 C ATOM 1323 CD LYS A 91 -1.014 -4.959 -9.078 1.00 0.00 C ATOM 1324 CE LYS A 91 -1.164 -4.087 -10.314 1.00 0.00 C ATOM 1325 NZ LYS A 91 -1.042 -4.876 -11.570 1.00 0.00 N ATOM 0 H LYS A 91 1.495 -6.077 -6.217 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.141 -7.096 -7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.488 -7.271 -8.591 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.132 -7.492 -9.222 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.919 -4.848 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.962 -5.304 -9.842 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.685 -5.815 -9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.313 -4.394 -8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.133 -3.589 -10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.404 -3.306 -10.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.277 -4.483 -12.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.827 -5.867 -11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.938 -4.831 -12.097 1.00 0.00 H new ATOM 1339 N SER A 92 -0.387 -9.112 -5.667 1.00 0.00 N ATOM 1340 CA SER A 92 -0.129 -10.455 -5.160 1.00 0.00 C ATOM 1341 C SER A 92 -1.130 -10.827 -4.072 1.00 0.00 C ATOM 1342 O SER A 92 -1.678 -11.930 -4.068 1.00 0.00 O ATOM 1343 CB SER A 92 1.296 -10.552 -4.613 1.00 0.00 C ATOM 1344 OG SER A 92 1.632 -11.891 -4.296 1.00 0.00 O ATOM 0 H SER A 92 -1.144 -8.620 -5.193 1.00 0.00 H new ATOM 0 HA SER A 92 -0.241 -11.156 -5.987 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.999 -10.162 -5.350 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.390 -9.930 -3.723 1.00 0.00 H new ATOM 0 HG SER A 92 2.548 -11.925 -3.950 1.00 0.00 H new ATOM 1350 N SER A 93 -1.365 -9.900 -3.149 1.00 0.00 N ATOM 1351 CA SER A 93 -2.299 -10.131 -2.054 1.00 0.00 C ATOM 1352 C SER A 93 -3.738 -9.915 -2.514 1.00 0.00 C ATOM 1353 O SER A 93 -3.982 -9.344 -3.577 1.00 0.00 O ATOM 1354 CB SER A 93 -1.982 -9.201 -0.880 1.00 0.00 C ATOM 1355 OG SER A 93 -2.105 -9.883 0.357 1.00 0.00 O ATOM 0 H SER A 93 -0.921 -8.982 -3.138 1.00 0.00 H new ATOM 0 HA SER A 93 -2.191 -11.166 -1.728 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.970 -8.810 -0.984 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.658 -8.346 -0.896 1.00 0.00 H new ATOM 0 HG SER A 93 -1.896 -9.269 1.091 1.00 0.00 H new ATOM 1361 N ARG A 94 -4.688 -10.377 -1.706 1.00 0.00 N ATOM 1362 CA ARG A 94 -6.102 -10.235 -2.031 1.00 0.00 C ATOM 1363 C ARG A 94 -6.661 -8.934 -1.465 1.00 0.00 C ATOM 1364 O ARG A 94 -7.044 -8.034 -2.213 1.00 0.00 O ATOM 1365 CB ARG A 94 -6.895 -11.425 -1.486 1.00 0.00 C ATOM 1366 CG ARG A 94 -6.237 -12.768 -1.758 1.00 0.00 C ATOM 1367 CD ARG A 94 -6.056 -13.008 -3.248 1.00 0.00 C ATOM 1368 NE ARG A 94 -6.020 -14.432 -3.572 1.00 0.00 N ATOM 1369 CZ ARG A 94 -4.981 -15.224 -3.318 1.00 0.00 C ATOM 1370 NH1 ARG A 94 -3.892 -14.736 -2.737 1.00 0.00 N ATOM 1371 NH2 ARG A 94 -5.031 -16.509 -3.644 1.00 0.00 N ATOM 0 H ARG A 94 -4.504 -10.852 -0.823 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.199 -10.210 -3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.024 -11.304 -0.410 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.891 -11.421 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.267 -12.806 -1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.845 -13.565 -1.331 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.871 -12.532 -3.794 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.131 -12.537 -3.582 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.839 -14.843 -4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.848 -13.749 -2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.099 -15.348 -2.545 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.866 -16.890 -4.089 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.235 -17.116 -3.449 1.00 0.00 H new ATOM 1385 N HIS A 95 -6.704 -8.839 -0.140 1.00 0.00 N ATOM 1386 CA HIS A 95 -7.216 -7.647 0.526 1.00 0.00 C ATOM 1387 C HIS A 95 -6.160 -6.547 0.554 1.00 0.00 C ATOM 1388 O HIS A 95 -5.221 -6.594 1.349 1.00 0.00 O ATOM 1389 CB HIS A 95 -7.658 -7.981 1.951 1.00 0.00 C ATOM 1390 CG HIS A 95 -8.798 -7.140 2.436 1.00 0.00 C ATOM 1391 ND1 HIS A 95 -9.831 -7.641 3.200 1.00 0.00 N ATOM 1392 CD2 HIS A 95 -9.066 -5.824 2.261 1.00 0.00 C ATOM 1393 CE1 HIS A 95 -10.684 -6.670 3.474 1.00 0.00 C ATOM 1394 NE2 HIS A 95 -10.242 -5.557 2.916 1.00 0.00 N ATOM 0 H HIS A 95 -6.390 -9.574 0.494 1.00 0.00 H new ATOM 0 HA HIS A 95 -8.077 -7.288 -0.038 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.947 -9.031 1.997 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.811 -7.854 2.625 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.466 -5.116 1.709 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -11.589 -6.769 4.055 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -10.700 -4.647 2.964 1.00 0.00 H new ATOM 1403 N LEU A 96 -6.320 -5.558 -0.319 1.00 0.00 N ATOM 1404 CA LEU A 96 -5.380 -4.446 -0.394 1.00 0.00 C ATOM 1405 C LEU A 96 -5.999 -3.170 0.167 1.00 0.00 C ATOM 1406 O LEU A 96 -6.859 -2.555 -0.465 1.00 0.00 O ATOM 1407 CB LEU A 96 -4.940 -4.220 -1.842 1.00 0.00 C ATOM 1408 CG LEU A 96 -4.406 -5.463 -2.555 1.00 0.00 C ATOM 1409 CD1 LEU A 96 -4.222 -5.189 -4.040 1.00 0.00 C ATOM 1410 CD2 LEU A 96 -3.096 -5.915 -1.928 1.00 0.00 C ATOM 0 H LEU A 96 -7.091 -5.504 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.508 -4.699 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.787 -3.831 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.167 -3.451 -1.856 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.136 -6.265 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.841 -6.085 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.180 -4.913 -4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.512 -4.373 -4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.730 -6.801 -2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.359 -5.116 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.259 -6.153 -0.877 1.00 0.00 H new ATOM 1422 N ILE A 97 -5.557 -2.777 1.356 1.00 0.00 N ATOM 1423 CA ILE A 97 -6.066 -1.575 2.004 1.00 0.00 C ATOM 1424 C ILE A 97 -5.063 -0.430 1.908 1.00 0.00 C ATOM 1425 O ILE A 97 -4.257 -0.223 2.815 1.00 0.00 O ATOM 1426 CB ILE A 97 -6.396 -1.830 3.487 1.00 0.00 C ATOM 1427 CG1 ILE A 97 -7.220 -3.112 3.637 1.00 0.00 C ATOM 1428 CG2 ILE A 97 -7.141 -0.641 4.076 1.00 0.00 C ATOM 1429 CD1 ILE A 97 -6.423 -4.281 4.178 1.00 0.00 C ATOM 0 H ILE A 97 -4.846 -3.275 1.892 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.980 -1.299 1.479 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.462 -1.956 4.035 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.062 -2.918 4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.635 -3.383 2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.367 -0.836 5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.520 0.252 3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -8.070 -0.486 3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.069 -5.155 4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.596 -4.501 3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.030 -4.029 5.163 1.00 0.00 H new ATOM 1441 N LEU A 98 -5.117 0.307 0.805 1.00 0.00 N ATOM 1442 CA LEU A 98 -4.211 1.430 0.592 1.00 0.00 C ATOM 1443 C LEU A 98 -4.648 2.644 1.406 1.00 0.00 C ATOM 1444 O LEU A 98 -5.840 2.863 1.622 1.00 0.00 O ATOM 1445 CB LEU A 98 -4.154 1.793 -0.893 1.00 0.00 C ATOM 1446 CG LEU A 98 -3.559 0.714 -1.801 1.00 0.00 C ATOM 1447 CD1 LEU A 98 -4.620 -0.305 -2.182 1.00 0.00 C ATOM 1448 CD2 LEU A 98 -2.949 1.343 -3.044 1.00 0.00 C ATOM 0 H LEU A 98 -5.778 0.148 0.045 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.217 1.130 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.164 2.018 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.568 2.705 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.769 0.198 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.180 -1.065 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.011 -0.777 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.431 0.195 -2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.530 0.562 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.720 1.883 -3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.159 2.035 -2.751 1.00 0.00 H new ATOM 1460 N THR A 99 -3.675 3.430 1.855 1.00 0.00 N ATOM 1461 CA THR A 99 -3.958 4.623 2.645 1.00 0.00 C ATOM 1462 C THR A 99 -3.310 5.854 2.020 1.00 0.00 C ATOM 1463 O THR A 99 -2.182 6.212 2.356 1.00 0.00 O ATOM 1464 CB THR A 99 -3.458 4.441 4.079 1.00 0.00 C ATOM 1465 OG1 THR A 99 -3.758 3.141 4.553 1.00 0.00 O ATOM 1466 CG2 THR A 99 -4.056 5.434 5.051 1.00 0.00 C ATOM 0 H THR A 99 -2.683 3.262 1.685 1.00 0.00 H new ATOM 0 HA THR A 99 -5.038 4.771 2.661 1.00 0.00 H new ATOM 0 HB THR A 99 -2.381 4.606 4.033 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.135 2.496 4.156 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.660 5.250 6.049 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.800 6.447 4.740 1.00 0.00 H new ATOM 0 HG23 THR A 99 -5.140 5.322 5.065 1.00 0.00 H new ATOM 1474 N VAL A 100 -4.032 6.497 1.108 1.00 0.00 N ATOM 1475 CA VAL A 100 -3.528 7.687 0.434 1.00 0.00 C ATOM 1476 C VAL A 100 -3.973 8.956 1.152 1.00 0.00 C ATOM 1477 O VAL A 100 -5.048 8.997 1.751 1.00 0.00 O ATOM 1478 CB VAL A 100 -4.000 7.746 -1.029 1.00 0.00 C ATOM 1479 CG1 VAL A 100 -3.407 6.597 -1.830 1.00 0.00 C ATOM 1480 CG2 VAL A 100 -5.519 7.730 -1.103 1.00 0.00 C ATOM 0 H VAL A 100 -4.968 6.213 0.819 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.440 7.624 0.454 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.649 8.681 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.753 6.656 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.319 6.661 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.724 5.649 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.833 7.772 -2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.896 6.814 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.918 8.592 -0.569 1.00 0.00 H new ATOM 1490 N LYS A 101 -3.141 9.991 1.087 1.00 0.00 N ATOM 1491 CA LYS A 101 -3.449 11.262 1.730 1.00 0.00 C ATOM 1492 C LYS A 101 -3.922 12.289 0.706 1.00 0.00 C ATOM 1493 O LYS A 101 -3.800 12.078 -0.501 1.00 0.00 O ATOM 1494 CB LYS A 101 -2.222 11.793 2.472 1.00 0.00 C ATOM 1495 CG LYS A 101 -0.970 11.854 1.611 1.00 0.00 C ATOM 1496 CD LYS A 101 -0.306 13.220 1.683 1.00 0.00 C ATOM 1497 CE LYS A 101 0.877 13.315 0.733 1.00 0.00 C ATOM 1498 NZ LYS A 101 1.008 14.675 0.144 1.00 0.00 N ATOM 0 H LYS A 101 -2.248 9.973 0.595 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.253 11.093 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.441 12.791 2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.028 11.159 3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.266 11.089 1.938 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.228 11.629 0.576 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.034 13.993 1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.029 13.410 2.703 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.793 13.061 1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.760 12.583 -0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.826 14.698 -0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.145 14.908 -0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.145 15.371 0.905 1.00 0.00 H new ATOM 1512 N ASP A 102 -4.460 13.402 1.194 1.00 0.00 N ATOM 1513 CA ASP A 102 -4.950 14.462 0.321 1.00 0.00 C ATOM 1514 C ASP A 102 -3.797 15.136 -0.416 1.00 0.00 C ATOM 1515 O ASP A 102 -3.034 15.901 0.173 1.00 0.00 O ATOM 1516 CB ASP A 102 -5.730 15.499 1.132 1.00 0.00 C ATOM 1517 CG ASP A 102 -7.210 15.182 1.203 1.00 0.00 C ATOM 1518 OD1 ASP A 102 -7.768 14.719 0.186 1.00 0.00 O ATOM 1519 OD2 ASP A 102 -7.812 15.395 2.277 1.00 0.00 O ATOM 0 H ASP A 102 -4.568 13.593 2.190 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.615 14.013 -0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -5.323 15.548 2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -5.593 16.484 0.685 1.00 0.00 H new