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 49 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 GLN : amide:sc= -0.593 K(o=-0.59,f=-2.6) USER MOD Set 2.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 91 LYS NZ :NH3+ 150:sc= -0.0813 (180deg=-0.541) USER MOD Single : A 22 LYS NZ :NH3+ -139:sc= 0.91 (180deg=-0.239) USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= -0.0117 (180deg=-0.136) USER MOD Single : A 25 ASN : amide:sc= -1.24 X(o=-1.2,f=-0.99) USER MOD Single : A 37 THR OG1 : rot -160:sc= -0.822 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 160:sc= 0 USER MOD Single : A 57 SER OG : rot -139:sc= -1.69 USER MOD Single : A 62 SER OG : rot -110:sc= -3.8! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.2 X(o=0.2,f=-0.2) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 80 ASN : amide:sc= -0.284 K(o=-0.28,f=-2.2!) USER MOD Single : A 83 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.0053) USER MOD Single : A 92 SER OG : rot 50:sc= 1.22 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.811 X(o=-0.81,f=-0.59) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.833 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 271 N GLU A 21 -6.706 10.552 6.820 1.00 0.00 N ATOM 272 CA GLU A 21 -6.126 9.720 5.773 1.00 0.00 C ATOM 273 C GLU A 21 -7.217 8.996 4.988 1.00 0.00 C ATOM 274 O GLU A 21 -8.231 8.584 5.551 1.00 0.00 O ATOM 275 CB GLU A 21 -5.157 8.704 6.378 1.00 0.00 C ATOM 276 CG GLU A 21 -3.715 9.186 6.412 1.00 0.00 C ATOM 277 CD GLU A 21 -3.050 8.943 7.753 1.00 0.00 C ATOM 278 OE1 GLU A 21 -2.766 7.770 8.071 1.00 0.00 O ATOM 279 OE2 GLU A 21 -2.814 9.928 8.486 1.00 0.00 O ATOM 0 HA GLU A 21 -5.580 10.368 5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.477 8.469 7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.209 7.778 5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.148 8.678 5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.687 10.252 6.184 1.00 0.00 H new ATOM 286 N LYS A 22 -7.000 8.846 3.685 1.00 0.00 N ATOM 287 CA LYS A 22 -7.963 8.173 2.823 1.00 0.00 C ATOM 288 C LYS A 22 -7.599 6.704 2.641 1.00 0.00 C ATOM 289 O LYS A 22 -6.606 6.376 1.991 1.00 0.00 O ATOM 290 CB LYS A 22 -8.033 8.866 1.461 1.00 0.00 C ATOM 291 CG LYS A 22 -9.166 8.367 0.580 1.00 0.00 C ATOM 292 CD LYS A 22 -9.006 8.838 -0.857 1.00 0.00 C ATOM 293 CE LYS A 22 -8.592 7.701 -1.778 1.00 0.00 C ATOM 294 NZ LYS A 22 -9.674 7.338 -2.734 1.00 0.00 N ATOM 0 H LYS A 22 -6.166 9.182 3.204 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.941 8.229 3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.149 9.939 1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.087 8.719 0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.195 7.278 0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.118 8.720 0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.946 9.266 -1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.259 9.631 -0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.699 7.990 -2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.327 6.828 -1.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.723 6.303 -2.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.584 7.698 -2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.472 7.759 -3.663 1.00 0.00 H new ATOM 308 N LYS A 23 -8.407 5.822 3.220 1.00 0.00 N ATOM 309 CA LYS A 23 -8.169 4.387 3.123 1.00 0.00 C ATOM 310 C LYS A 23 -9.064 3.759 2.059 1.00 0.00 C ATOM 311 O LYS A 23 -10.259 4.045 1.991 1.00 0.00 O ATOM 312 CB LYS A 23 -8.414 3.716 4.476 1.00 0.00 C ATOM 313 CG LYS A 23 -7.347 2.698 4.853 1.00 0.00 C ATOM 314 CD LYS A 23 -6.703 3.026 6.193 1.00 0.00 C ATOM 315 CE LYS A 23 -6.669 1.811 7.107 1.00 0.00 C ATOM 316 NZ LYS A 23 -8.035 1.391 7.524 1.00 0.00 N ATOM 0 H LYS A 23 -9.233 6.076 3.762 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.129 4.234 2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.462 4.483 5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.385 3.222 4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.792 1.704 4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.581 2.670 4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.688 3.389 6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.256 3.831 6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.176 0.985 6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.073 2.038 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.972 0.806 8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.612 2.233 7.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.477 0.840 6.761 1.00 0.00 H new ATOM 330 N VAL A 24 -8.477 2.900 1.231 1.00 0.00 N ATOM 331 CA VAL A 24 -9.222 2.232 0.171 1.00 0.00 C ATOM 332 C VAL A 24 -9.068 0.717 0.264 1.00 0.00 C ATOM 333 O VAL A 24 -8.059 0.158 -0.166 1.00 0.00 O ATOM 334 CB VAL A 24 -8.758 2.698 -1.222 1.00 0.00 C ATOM 335 CG1 VAL A 24 -9.674 2.145 -2.304 1.00 0.00 C ATOM 336 CG2 VAL A 24 -8.703 4.217 -1.284 1.00 0.00 C ATOM 0 H VAL A 24 -7.489 2.651 1.274 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.270 2.499 0.304 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.754 2.313 -1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.330 2.485 -3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.658 1.056 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.691 2.498 -2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.373 4.529 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.694 4.625 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.002 4.587 -0.535 1.00 0.00 H new ATOM 346 N ASN A 25 -10.073 0.059 0.831 1.00 0.00 N ATOM 347 CA ASN A 25 -10.050 -1.391 0.982 1.00 0.00 C ATOM 348 C ASN A 25 -10.539 -2.081 -0.288 1.00 0.00 C ATOM 349 O ASN A 25 -11.702 -1.949 -0.669 1.00 0.00 O ATOM 350 CB ASN A 25 -10.915 -1.815 2.170 1.00 0.00 C ATOM 351 CG ASN A 25 -12.317 -1.241 2.099 1.00 0.00 C ATOM 352 OD1 ASN A 25 -12.580 -0.150 2.602 1.00 0.00 O ATOM 353 ND2 ASN A 25 -13.226 -1.979 1.472 1.00 0.00 N ATOM 0 H ASN A 25 -10.914 0.507 1.194 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.019 -1.694 1.164 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.972 -2.903 2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.439 -1.492 3.096 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.187 -1.646 1.393 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.963 -2.879 1.069 1.00 0.00 H new ATOM 360 N LEU A 26 -9.643 -2.815 -0.938 1.00 0.00 N ATOM 361 CA LEU A 26 -9.981 -3.527 -2.166 1.00 0.00 C ATOM 362 C LEU A 26 -9.896 -5.036 -1.961 1.00 0.00 C ATOM 363 O LEU A 26 -8.807 -5.592 -1.819 1.00 0.00 O ATOM 364 CB LEU A 26 -9.048 -3.102 -3.301 1.00 0.00 C ATOM 365 CG LEU A 26 -9.183 -1.644 -3.739 1.00 0.00 C ATOM 366 CD1 LEU A 26 -8.089 -1.281 -4.732 1.00 0.00 C ATOM 367 CD2 LEU A 26 -10.558 -1.395 -4.345 1.00 0.00 C ATOM 0 H LEU A 26 -8.676 -2.933 -0.635 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.006 -3.272 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.018 -3.278 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.234 -3.743 -4.163 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.073 -1.009 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.201 -0.239 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.114 -1.421 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.167 -1.922 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.637 -0.352 -4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.695 -2.040 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.327 -1.615 -3.605 1.00 0.00 H new ATOM 379 N VAL A 27 -11.051 -5.693 -1.945 1.00 0.00 N ATOM 380 CA VAL A 27 -11.105 -7.138 -1.757 1.00 0.00 C ATOM 381 C VAL A 27 -11.060 -7.867 -3.096 1.00 0.00 C ATOM 382 O VAL A 27 -12.055 -7.922 -3.818 1.00 0.00 O ATOM 383 CB VAL A 27 -12.378 -7.559 -0.998 1.00 0.00 C ATOM 384 CG1 VAL A 27 -12.321 -9.036 -0.639 1.00 0.00 C ATOM 385 CG2 VAL A 27 -12.562 -6.706 0.248 1.00 0.00 C ATOM 0 H VAL A 27 -11.962 -5.248 -2.060 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.232 -7.414 -1.166 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.238 -7.400 -1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.228 -9.316 -0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.240 -9.629 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.454 -9.223 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.466 -7.017 0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.701 -6.831 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.651 -5.658 -0.038 1.00 0.00 H new ATOM 395 N LEU A 28 -9.899 -8.427 -3.419 1.00 0.00 N ATOM 396 CA LEU A 28 -9.724 -9.154 -4.672 1.00 0.00 C ATOM 397 C LEU A 28 -10.207 -10.594 -4.538 1.00 0.00 C ATOM 398 O LEU A 28 -10.760 -10.982 -3.509 1.00 0.00 O ATOM 399 CB LEU A 28 -8.253 -9.134 -5.095 1.00 0.00 C ATOM 400 CG LEU A 28 -7.620 -7.744 -5.170 1.00 0.00 C ATOM 401 CD1 LEU A 28 -6.103 -7.848 -5.164 1.00 0.00 C ATOM 402 CD2 LEU A 28 -8.101 -7.007 -6.410 1.00 0.00 C ATOM 0 H LEU A 28 -9.066 -8.392 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.322 -8.660 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.681 -9.740 -4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.165 -9.610 -6.072 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.928 -7.177 -4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.670 -6.849 -5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.775 -8.337 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.775 -8.433 -6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.641 -6.020 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.822 -7.572 -7.300 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.185 -6.901 -6.373 1.00 0.00 H new ATOM 464 N SER A 33 -5.715 -7.947 -9.565 1.00 0.00 N ATOM 465 CA SER A 33 -4.773 -6.843 -9.710 1.00 0.00 C ATOM 466 C SER A 33 -5.450 -5.507 -9.420 1.00 0.00 C ATOM 467 O SER A 33 -6.677 -5.415 -9.388 1.00 0.00 O ATOM 468 CB SER A 33 -4.180 -6.832 -11.121 1.00 0.00 C ATOM 469 OG SER A 33 -3.209 -7.852 -11.274 1.00 0.00 O ATOM 0 HA SER A 33 -3.970 -6.987 -8.987 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.975 -6.969 -11.854 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.727 -5.861 -11.321 1.00 0.00 H new ATOM 0 HG SER A 33 -2.847 -7.825 -12.184 1.00 0.00 H new ATOM 475 N LEU A 34 -4.642 -4.474 -9.212 1.00 0.00 N ATOM 476 CA LEU A 34 -5.163 -3.141 -8.926 1.00 0.00 C ATOM 477 C LEU A 34 -5.281 -2.319 -10.204 1.00 0.00 C ATOM 478 O LEU A 34 -6.364 -1.847 -10.553 1.00 0.00 O ATOM 479 CB LEU A 34 -4.259 -2.423 -7.924 1.00 0.00 C ATOM 480 CG LEU A 34 -4.258 -3.015 -6.512 1.00 0.00 C ATOM 481 CD1 LEU A 34 -2.871 -2.930 -5.897 1.00 0.00 C ATOM 482 CD2 LEU A 34 -5.277 -2.302 -5.636 1.00 0.00 C ATOM 0 H LEU A 34 -3.624 -4.533 -9.236 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.157 -3.250 -8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.238 -2.433 -8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.566 -1.379 -7.864 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.537 -4.066 -6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.891 -3.356 -4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.165 -3.487 -6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.561 -1.887 -5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.263 -2.735 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.027 -1.243 -5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.271 -2.417 -6.067 1.00 0.00 H new ATOM 494 N GLY A 35 -4.160 -2.151 -10.900 1.00 0.00 N ATOM 495 CA GLY A 35 -4.160 -1.386 -12.132 1.00 0.00 C ATOM 496 C GLY A 35 -3.675 0.036 -11.932 1.00 0.00 C ATOM 497 O GLY A 35 -4.104 0.951 -12.636 1.00 0.00 O ATOM 0 H GLY A 35 -3.252 -2.531 -10.632 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.525 -1.883 -12.865 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.169 -1.368 -12.545 1.00 0.00 H new ATOM 501 N LEU A 36 -2.782 0.224 -10.966 1.00 0.00 N ATOM 502 CA LEU A 36 -2.238 1.546 -10.674 1.00 0.00 C ATOM 503 C LEU A 36 -0.797 1.662 -11.161 1.00 0.00 C ATOM 504 O LEU A 36 -0.097 0.659 -11.304 1.00 0.00 O ATOM 505 CB LEU A 36 -2.306 1.826 -9.172 1.00 0.00 C ATOM 506 CG LEU A 36 -3.703 2.140 -8.633 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.694 2.172 -7.113 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.205 3.462 -9.193 1.00 0.00 C ATOM 0 H LEU A 36 -2.420 -0.522 -10.372 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.840 2.285 -11.203 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.914 0.960 -8.639 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.649 2.665 -8.944 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.382 1.350 -8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.696 2.397 -6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.378 1.202 -6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.002 2.941 -6.769 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.200 3.670 -8.799 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.525 4.262 -8.901 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.250 3.403 -10.280 1.00 0.00 H new ATOM 520 N THR A 37 -0.361 2.891 -11.413 1.00 0.00 N ATOM 521 CA THR A 37 0.998 3.139 -11.883 1.00 0.00 C ATOM 522 C THR A 37 1.775 3.983 -10.880 1.00 0.00 C ATOM 523 O THR A 37 1.847 5.206 -11.004 1.00 0.00 O ATOM 524 CB THR A 37 0.969 3.842 -13.242 1.00 0.00 C ATOM 525 OG1 THR A 37 -0.125 3.388 -14.018 1.00 0.00 O ATOM 526 CG2 THR A 37 2.229 3.629 -14.054 1.00 0.00 C ATOM 0 H THR A 37 -0.928 3.731 -11.300 1.00 0.00 H new ATOM 0 HA THR A 37 1.500 2.177 -11.988 1.00 0.00 H new ATOM 0 HB THR A 37 0.878 4.904 -13.016 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.039 3.588 -14.963 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.142 4.154 -15.005 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.086 4.016 -13.503 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.367 2.564 -14.239 1.00 0.00 H new ATOM 534 N ILE A 38 2.356 3.322 -9.885 1.00 0.00 N ATOM 535 CA ILE A 38 3.128 4.010 -8.859 1.00 0.00 C ATOM 536 C ILE A 38 4.555 4.272 -9.326 1.00 0.00 C ATOM 537 O ILE A 38 5.144 3.460 -10.039 1.00 0.00 O ATOM 538 CB ILE A 38 3.169 3.202 -7.548 1.00 0.00 C ATOM 539 CG1 ILE A 38 3.709 1.795 -7.810 1.00 0.00 C ATOM 540 CG2 ILE A 38 1.785 3.137 -6.921 1.00 0.00 C ATOM 541 CD1 ILE A 38 4.560 1.254 -6.681 1.00 0.00 C ATOM 0 H ILE A 38 2.307 2.310 -9.768 1.00 0.00 H new ATOM 0 HA ILE A 38 2.629 4.961 -8.675 1.00 0.00 H new ATOM 0 HB ILE A 38 3.838 3.704 -6.849 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.871 1.119 -7.979 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.299 1.806 -8.726 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.831 2.563 -5.996 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.436 4.147 -6.704 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.094 2.655 -7.613 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.909 0.253 -6.935 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.418 1.908 -6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.967 1.210 -5.767 1.00 0.00 H new ATOM 553 N ARG A 39 5.106 5.412 -8.920 1.00 0.00 N ATOM 554 CA ARG A 39 6.464 5.781 -9.298 1.00 0.00 C ATOM 555 C ARG A 39 7.229 6.339 -8.102 1.00 0.00 C ATOM 556 O ARG A 39 6.651 6.994 -7.235 1.00 0.00 O ATOM 557 CB ARG A 39 6.440 6.812 -10.428 1.00 0.00 C ATOM 558 CG ARG A 39 5.781 8.126 -10.038 1.00 0.00 C ATOM 559 CD ARG A 39 6.243 9.267 -10.930 1.00 0.00 C ATOM 560 NE ARG A 39 6.219 10.550 -10.233 1.00 0.00 N ATOM 561 CZ ARG A 39 6.593 11.702 -10.785 1.00 0.00 C ATOM 562 NH1 ARG A 39 7.021 11.734 -12.041 1.00 0.00 N ATOM 563 NH2 ARG A 39 6.540 12.824 -10.081 1.00 0.00 N ATOM 0 H ARG A 39 4.632 6.095 -8.329 1.00 0.00 H new ATOM 0 HA ARG A 39 6.974 4.883 -9.646 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.462 7.009 -10.751 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.912 6.390 -11.283 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.698 8.025 -10.106 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.015 8.357 -8.999 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.254 9.065 -11.283 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.603 9.321 -11.811 1.00 0.00 H new ATOM 0 HE ARG A 39 5.896 10.564 -9.265 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.064 10.874 -12.587 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.307 12.619 -12.460 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.212 12.805 -9.115 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.827 13.706 -10.505 1.00 0.00 H new ATOM 577 N GLY A 40 8.530 6.074 -8.062 1.00 0.00 N ATOM 578 CA GLY A 40 9.352 6.557 -6.967 1.00 0.00 C ATOM 579 C GLY A 40 9.326 5.628 -5.769 1.00 0.00 C ATOM 580 O GLY A 40 8.301 5.014 -5.474 1.00 0.00 O ATOM 0 H GLY A 40 9.030 5.534 -8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.380 6.672 -7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.005 7.545 -6.664 1.00 0.00 H new ATOM 584 N GLY A 41 10.457 5.526 -5.078 1.00 0.00 N ATOM 585 CA GLY A 41 10.539 4.665 -3.913 1.00 0.00 C ATOM 586 C GLY A 41 11.928 4.644 -3.306 1.00 0.00 C ATOM 587 O GLY A 41 12.693 5.597 -3.454 1.00 0.00 O ATOM 0 H GLY A 41 11.318 6.024 -5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.823 5.003 -3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.253 3.651 -4.193 1.00 0.00 H new ATOM 591 N ALA A 42 12.254 3.553 -2.620 1.00 0.00 N ATOM 592 CA ALA A 42 13.560 3.411 -1.988 1.00 0.00 C ATOM 593 C ALA A 42 14.679 3.462 -3.022 1.00 0.00 C ATOM 594 O ALA A 42 15.785 3.921 -2.733 1.00 0.00 O ATOM 595 CB ALA A 42 13.626 2.110 -1.201 1.00 0.00 C ATOM 0 H ALA A 42 11.632 2.755 -2.488 1.00 0.00 H new ATOM 0 HA ALA A 42 13.697 4.247 -1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.607 2.016 -0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.856 2.112 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.463 1.269 -1.875 1.00 0.00 H new ATOM 601 N GLU A 43 14.385 2.989 -4.229 1.00 0.00 N ATOM 602 CA GLU A 43 15.366 2.982 -5.307 1.00 0.00 C ATOM 603 C GLU A 43 15.736 4.403 -5.717 1.00 0.00 C ATOM 604 O GLU A 43 16.864 4.666 -6.136 1.00 0.00 O ATOM 605 CB GLU A 43 14.824 2.215 -6.514 1.00 0.00 C ATOM 606 CG GLU A 43 15.881 1.897 -7.559 1.00 0.00 C ATOM 607 CD GLU A 43 15.356 1.003 -8.665 1.00 0.00 C ATOM 608 OE1 GLU A 43 14.757 -0.046 -8.347 1.00 0.00 O ATOM 609 OE2 GLU A 43 15.545 1.351 -9.850 1.00 0.00 O ATOM 0 H GLU A 43 13.475 2.606 -4.485 1.00 0.00 H new ATOM 0 HA GLU A 43 16.264 2.484 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.374 1.284 -6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 43 14.030 2.800 -6.979 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.250 2.827 -7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 43 16.729 1.412 -7.076 1.00 0.00 H new ATOM 616 N TYR A 44 14.778 5.317 -5.597 1.00 0.00 N ATOM 617 CA TYR A 44 15.004 6.712 -5.955 1.00 0.00 C ATOM 618 C TYR A 44 15.014 7.609 -4.717 1.00 0.00 C ATOM 619 O TYR A 44 14.888 8.828 -4.825 1.00 0.00 O ATOM 620 CB TYR A 44 13.926 7.188 -6.930 1.00 0.00 C ATOM 621 CG TYR A 44 13.730 6.267 -8.114 1.00 0.00 C ATOM 622 CD1 TYR A 44 13.098 5.039 -7.966 1.00 0.00 C ATOM 623 CD2 TYR A 44 14.179 6.626 -9.379 1.00 0.00 C ATOM 624 CE1 TYR A 44 12.919 4.195 -9.044 1.00 0.00 C ATOM 625 CE2 TYR A 44 14.003 5.787 -10.463 1.00 0.00 C ATOM 626 CZ TYR A 44 13.371 4.573 -10.291 1.00 0.00 C ATOM 627 OH TYR A 44 13.194 3.734 -11.367 1.00 0.00 O ATOM 0 H TYR A 44 13.838 5.116 -5.255 1.00 0.00 H new ATOM 0 HA TYR A 44 15.981 6.780 -6.433 1.00 0.00 H new ATOM 0 HB2 TYR A 44 12.981 7.284 -6.395 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.189 8.181 -7.293 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.741 4.739 -6.992 1.00 0.00 H new ATOM 0 HD2 TYR A 44 14.674 7.576 -9.517 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.427 3.243 -8.911 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.358 6.080 -11.440 1.00 0.00 H new ATOM 0 HH TYR A 44 13.568 4.150 -12.171 1.00 0.00 H new ATOM 637 N GLY A 45 15.165 7.000 -3.543 1.00 0.00 N ATOM 638 CA GLY A 45 15.188 7.764 -2.308 1.00 0.00 C ATOM 639 C GLY A 45 14.000 8.696 -2.174 1.00 0.00 C ATOM 640 O GLY A 45 14.076 9.712 -1.481 1.00 0.00 O ATOM 0 H GLY A 45 15.272 5.992 -3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.203 7.078 -1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.108 8.346 -2.263 1.00 0.00 H new ATOM 644 N LEU A 46 12.901 8.354 -2.839 1.00 0.00 N ATOM 645 CA LEU A 46 11.693 9.170 -2.792 1.00 0.00 C ATOM 646 C LEU A 46 10.494 8.342 -2.342 1.00 0.00 C ATOM 647 O LEU A 46 10.491 7.118 -2.465 1.00 0.00 O ATOM 648 CB LEU A 46 11.415 9.787 -4.164 1.00 0.00 C ATOM 649 CG LEU A 46 10.362 10.896 -4.172 1.00 0.00 C ATOM 650 CD1 LEU A 46 10.874 12.124 -3.436 1.00 0.00 C ATOM 651 CD2 LEU A 46 9.975 11.250 -5.600 1.00 0.00 C ATOM 0 H LEU A 46 12.822 7.517 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 46 11.853 9.969 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.347 10.189 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.094 8.997 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 46 9.474 10.533 -3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.111 12.902 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.102 11.861 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.777 12.491 -3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.225 12.041 -5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.856 11.594 -6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.566 10.369 -6.095 1.00 0.00 H new ATOM 663 N GLY A 47 9.477 9.019 -1.818 1.00 0.00 N ATOM 664 CA GLY A 47 8.285 8.329 -1.359 1.00 0.00 C ATOM 665 C GLY A 47 7.528 7.665 -2.490 1.00 0.00 C ATOM 666 O GLY A 47 7.868 7.837 -3.661 1.00 0.00 O ATOM 0 H GLY A 47 9.457 10.032 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.566 7.576 -0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.629 9.039 -0.855 1.00 0.00 H new ATOM 670 N ILE A 48 6.496 6.903 -2.142 1.00 0.00 N ATOM 671 CA ILE A 48 5.688 6.210 -3.138 1.00 0.00 C ATOM 672 C ILE A 48 4.521 7.077 -3.598 1.00 0.00 C ATOM 673 O ILE A 48 3.698 7.507 -2.789 1.00 0.00 O ATOM 674 CB ILE A 48 5.138 4.879 -2.589 1.00 0.00 C ATOM 675 CG1 ILE A 48 6.260 4.071 -1.933 1.00 0.00 C ATOM 676 CG2 ILE A 48 4.481 4.078 -3.702 1.00 0.00 C ATOM 677 CD1 ILE A 48 7.413 3.772 -2.866 1.00 0.00 C ATOM 0 H ILE A 48 6.200 6.750 -1.178 1.00 0.00 H new ATOM 0 HA ILE A 48 6.341 6.003 -3.986 1.00 0.00 H new ATOM 0 HB ILE A 48 4.384 5.098 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.635 4.620 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.851 3.132 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.098 3.141 -3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.659 4.653 -4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.215 3.865 -4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.171 3.197 -2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.052 3.196 -3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.848 4.707 -3.218 1.00 0.00 H new ATOM 689 N TYR A 49 4.456 7.330 -4.900 1.00 0.00 N ATOM 690 CA TYR A 49 3.390 8.146 -5.470 1.00 0.00 C ATOM 691 C TYR A 49 2.693 7.412 -6.610 1.00 0.00 C ATOM 692 O TYR A 49 3.003 6.257 -6.898 1.00 0.00 O ATOM 693 CB TYR A 49 3.953 9.477 -5.971 1.00 0.00 C ATOM 694 CG TYR A 49 4.566 10.326 -4.882 1.00 0.00 C ATOM 695 CD1 TYR A 49 5.883 10.134 -4.482 1.00 0.00 C ATOM 696 CD2 TYR A 49 3.827 11.320 -4.251 1.00 0.00 C ATOM 697 CE1 TYR A 49 6.446 10.909 -3.486 1.00 0.00 C ATOM 698 CE2 TYR A 49 4.383 12.098 -3.253 1.00 0.00 C ATOM 699 CZ TYR A 49 5.693 11.888 -2.875 1.00 0.00 C ATOM 700 OH TYR A 49 6.250 12.662 -1.882 1.00 0.00 O ATOM 0 H TYR A 49 5.130 6.981 -5.582 1.00 0.00 H new ATOM 0 HA TYR A 49 2.657 8.341 -4.688 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.707 9.279 -6.733 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.154 10.041 -6.453 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.476 9.367 -4.957 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.801 11.487 -4.545 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.471 10.748 -3.188 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.795 12.866 -2.772 1.00 0.00 H new ATOM 0 HH TYR A 49 5.586 13.305 -1.557 1.00 0.00 H new ATOM 710 N ILE A 50 1.750 8.091 -7.257 1.00 0.00 N ATOM 711 CA ILE A 50 1.009 7.505 -8.366 1.00 0.00 C ATOM 712 C ILE A 50 1.000 8.438 -9.572 1.00 0.00 C ATOM 713 O ILE A 50 1.039 9.659 -9.423 1.00 0.00 O ATOM 714 CB ILE A 50 -0.444 7.187 -7.967 1.00 0.00 C ATOM 715 CG1 ILE A 50 -0.478 6.426 -6.640 1.00 0.00 C ATOM 716 CG2 ILE A 50 -1.132 6.384 -9.061 1.00 0.00 C ATOM 717 CD1 ILE A 50 -1.876 6.100 -6.165 1.00 0.00 C ATOM 0 H ILE A 50 1.482 9.049 -7.031 1.00 0.00 H new ATOM 0 HA ILE A 50 1.516 6.577 -8.630 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.982 8.126 -7.840 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.086 5.499 -6.748 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.027 7.019 -5.877 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.158 6.168 -8.763 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.137 6.960 -9.987 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.595 5.449 -9.218 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.822 5.561 -5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.437 7.024 -6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.378 5.480 -6.908 1.00 0.00 H new ATOM 729 N THR A 51 0.951 7.857 -10.767 1.00 0.00 N ATOM 730 CA THR A 51 0.939 8.643 -11.996 1.00 0.00 C ATOM 731 C THR A 51 0.346 7.846 -13.153 1.00 0.00 C ATOM 732 O THR A 51 0.785 7.975 -14.296 1.00 0.00 O ATOM 733 CB THR A 51 2.356 9.099 -12.347 1.00 0.00 C ATOM 734 OG1 THR A 51 3.244 7.996 -12.378 1.00 0.00 O ATOM 735 CG2 THR A 51 2.917 10.114 -11.374 1.00 0.00 C ATOM 0 H THR A 51 0.919 6.848 -10.910 1.00 0.00 H new ATOM 0 HA THR A 51 0.312 9.519 -11.829 1.00 0.00 H new ATOM 0 HB THR A 51 2.274 9.568 -13.328 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.040 8.231 -12.899 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.924 10.395 -11.681 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.281 10.999 -11.364 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.950 9.680 -10.375 1.00 0.00 H new ATOM 743 N GLY A 52 -0.653 7.023 -12.852 1.00 0.00 N ATOM 744 CA GLY A 52 -1.287 6.222 -13.882 1.00 0.00 C ATOM 745 C GLY A 52 -2.443 5.398 -13.351 1.00 0.00 C ATOM 746 O GLY A 52 -2.455 5.012 -12.182 1.00 0.00 O ATOM 0 H GLY A 52 -1.034 6.897 -11.914 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.647 6.876 -14.676 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.547 5.558 -14.328 1.00 0.00 H new ATOM 750 N VAL A 53 -3.419 5.129 -14.213 1.00 0.00 N ATOM 751 CA VAL A 53 -4.586 4.345 -13.829 1.00 0.00 C ATOM 752 C VAL A 53 -5.024 3.422 -14.960 1.00 0.00 C ATOM 753 O VAL A 53 -5.083 3.829 -16.120 1.00 0.00 O ATOM 754 CB VAL A 53 -5.768 5.253 -13.437 1.00 0.00 C ATOM 755 CG1 VAL A 53 -6.904 4.428 -12.853 1.00 0.00 C ATOM 756 CG2 VAL A 53 -5.316 6.323 -12.454 1.00 0.00 C ATOM 0 H VAL A 53 -3.424 5.443 -15.183 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.295 3.746 -12.966 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.135 5.749 -14.335 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.730 5.086 -12.582 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.245 3.704 -13.593 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.553 3.902 -11.965 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.164 6.955 -12.189 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.922 5.848 -11.555 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.538 6.934 -12.913 1.00 0.00 H new ATOM 766 N ASP A 54 -5.328 2.175 -14.615 1.00 0.00 N ATOM 767 CA ASP A 54 -5.759 1.192 -15.603 1.00 0.00 C ATOM 768 C ASP A 54 -7.134 1.548 -16.164 1.00 0.00 C ATOM 769 O ASP A 54 -7.967 2.129 -15.467 1.00 0.00 O ATOM 770 CB ASP A 54 -5.794 -0.205 -14.981 1.00 0.00 C ATOM 771 CG ASP A 54 -4.533 -0.997 -15.268 1.00 0.00 C ATOM 772 OD1 ASP A 54 -3.505 -0.373 -15.605 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.573 -2.240 -15.154 1.00 0.00 O ATOM 0 H ASP A 54 -5.284 1.821 -13.659 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.041 1.199 -16.423 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.927 -0.116 -13.903 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.657 -0.749 -15.365 1.00 0.00 H new ATOM 778 N PRO A 55 -7.391 1.201 -17.438 1.00 0.00 N ATOM 779 CA PRO A 55 -8.672 1.486 -18.091 1.00 0.00 C ATOM 780 C PRO A 55 -9.801 0.606 -17.562 1.00 0.00 C ATOM 781 O PRO A 55 -10.391 -0.178 -18.304 1.00 0.00 O ATOM 782 CB PRO A 55 -8.395 1.174 -19.563 1.00 0.00 C ATOM 783 CG PRO A 55 -7.301 0.164 -19.534 1.00 0.00 C ATOM 784 CD PRO A 55 -6.453 0.505 -18.339 1.00 0.00 C ATOM 0 HA PRO A 55 -9.003 2.509 -17.913 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.283 0.782 -20.059 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.094 2.069 -20.108 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.704 -0.845 -19.451 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.714 0.198 -20.452 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.038 -0.389 -17.873 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.612 1.142 -18.612 1.00 0.00 H new ATOM 792 N GLY A 56 -10.096 0.742 -16.274 1.00 0.00 N ATOM 793 CA GLY A 56 -11.153 -0.046 -15.668 1.00 0.00 C ATOM 794 C GLY A 56 -10.616 -1.157 -14.787 1.00 0.00 C ATOM 795 O GLY A 56 -10.233 -2.219 -15.280 1.00 0.00 O ATOM 0 H GLY A 56 -9.622 1.384 -15.639 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.794 0.606 -15.075 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.776 -0.477 -16.452 1.00 0.00 H new ATOM 799 N SER A 57 -10.587 -0.912 -13.482 1.00 0.00 N ATOM 800 CA SER A 57 -10.093 -1.900 -12.529 1.00 0.00 C ATOM 801 C SER A 57 -10.610 -1.606 -11.125 1.00 0.00 C ATOM 802 O SER A 57 -11.464 -0.741 -10.935 1.00 0.00 O ATOM 803 CB SER A 57 -8.564 -1.918 -12.529 1.00 0.00 C ATOM 804 OG SER A 57 -8.051 -1.637 -13.820 1.00 0.00 O ATOM 0 H SER A 57 -10.900 -0.038 -13.059 1.00 0.00 H new ATOM 0 HA SER A 57 -10.461 -2.880 -12.834 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.188 -1.183 -11.817 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.209 -2.894 -12.197 1.00 0.00 H new ATOM 0 HG SER A 57 -7.289 -2.225 -14.004 1.00 0.00 H new ATOM 810 N GLU A 58 -10.084 -2.331 -10.142 1.00 0.00 N ATOM 811 CA GLU A 58 -10.492 -2.146 -8.755 1.00 0.00 C ATOM 812 C GLU A 58 -10.131 -0.749 -8.263 1.00 0.00 C ATOM 813 O GLU A 58 -10.824 -0.179 -7.419 1.00 0.00 O ATOM 814 CB GLU A 58 -9.831 -3.200 -7.864 1.00 0.00 C ATOM 815 CG GLU A 58 -10.614 -4.500 -7.775 1.00 0.00 C ATOM 816 CD GLU A 58 -11.877 -4.363 -6.948 1.00 0.00 C ATOM 817 OE1 GLU A 58 -12.873 -3.820 -7.470 1.00 0.00 O ATOM 818 OE2 GLU A 58 -11.871 -4.801 -5.778 1.00 0.00 O ATOM 0 H GLU A 58 -9.375 -3.051 -10.281 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.575 -2.261 -8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.833 -3.412 -8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.708 -2.791 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.876 -4.832 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.981 -5.273 -7.339 1.00 0.00 H new ATOM 825 N ALA A 59 -9.044 -0.202 -8.795 1.00 0.00 N ATOM 826 CA ALA A 59 -8.592 1.130 -8.410 1.00 0.00 C ATOM 827 C ALA A 59 -9.433 2.210 -9.080 1.00 0.00 C ATOM 828 O ALA A 59 -9.913 3.135 -8.423 1.00 0.00 O ATOM 829 CB ALA A 59 -7.122 1.309 -8.761 1.00 0.00 C ATOM 0 H ALA A 59 -8.459 -0.660 -9.494 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.712 1.231 -7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.797 2.307 -8.468 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.528 0.564 -8.231 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.987 1.184 -9.835 1.00 0.00 H new ATOM 835 N GLU A 60 -9.608 2.089 -10.392 1.00 0.00 N ATOM 836 CA GLU A 60 -10.392 3.056 -11.151 1.00 0.00 C ATOM 837 C GLU A 60 -11.829 3.110 -10.644 1.00 0.00 C ATOM 838 O GLU A 60 -12.445 4.176 -10.606 1.00 0.00 O ATOM 839 CB GLU A 60 -10.377 2.701 -12.639 1.00 0.00 C ATOM 840 CG GLU A 60 -10.719 3.872 -13.547 1.00 0.00 C ATOM 841 CD GLU A 60 -11.616 3.470 -14.702 1.00 0.00 C ATOM 842 OE1 GLU A 60 -12.827 3.267 -14.470 1.00 0.00 O ATOM 843 OE2 GLU A 60 -11.108 3.359 -15.837 1.00 0.00 O ATOM 0 H GLU A 60 -9.217 1.331 -10.951 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.941 4.039 -11.014 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.390 2.323 -12.904 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.087 1.893 -12.819 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.212 4.649 -12.962 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.798 4.304 -13.940 1.00 0.00 H new ATOM 850 N GLY A 61 -12.358 1.955 -10.256 1.00 0.00 N ATOM 851 CA GLY A 61 -13.720 1.893 -9.756 1.00 0.00 C ATOM 852 C GLY A 61 -13.849 2.450 -8.352 1.00 0.00 C ATOM 853 O GLY A 61 -14.896 2.980 -7.982 1.00 0.00 O ATOM 0 H GLY A 61 -11.869 1.060 -10.279 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.375 2.450 -10.426 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.060 0.858 -9.765 1.00 0.00 H new ATOM 857 N SER A 62 -12.781 2.330 -7.570 1.00 0.00 N ATOM 858 CA SER A 62 -12.778 2.826 -6.199 1.00 0.00 C ATOM 859 C SER A 62 -12.835 4.350 -6.171 1.00 0.00 C ATOM 860 O SER A 62 -13.833 4.936 -5.751 1.00 0.00 O ATOM 861 CB SER A 62 -11.532 2.337 -5.459 1.00 0.00 C ATOM 862 OG SER A 62 -11.787 1.123 -4.775 1.00 0.00 O ATOM 0 H SER A 62 -11.907 1.894 -7.863 1.00 0.00 H new ATOM 0 HA SER A 62 -13.665 2.438 -5.698 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.717 2.194 -6.169 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.206 3.097 -4.748 1.00 0.00 H new ATOM 0 HG SER A 62 -11.788 1.286 -3.809 1.00 0.00 H new ATOM 868 N GLY A 63 -11.757 4.985 -6.619 1.00 0.00 N ATOM 869 CA GLY A 63 -11.705 6.436 -6.637 1.00 0.00 C ATOM 870 C GLY A 63 -10.312 6.969 -6.364 1.00 0.00 C ATOM 871 O GLY A 63 -10.103 7.712 -5.405 1.00 0.00 O ATOM 0 H GLY A 63 -10.919 4.522 -6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.045 6.797 -7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.395 6.831 -5.891 1.00 0.00 H new ATOM 875 N LEU A 64 -9.359 6.590 -7.207 1.00 0.00 N ATOM 876 CA LEU A 64 -7.978 7.034 -7.052 1.00 0.00 C ATOM 877 C LEU A 64 -7.606 8.042 -8.135 1.00 0.00 C ATOM 878 O LEU A 64 -8.368 8.267 -9.076 1.00 0.00 O ATOM 879 CB LEU A 64 -7.026 5.838 -7.104 1.00 0.00 C ATOM 880 CG LEU A 64 -6.769 5.155 -5.759 1.00 0.00 C ATOM 881 CD1 LEU A 64 -6.614 3.654 -5.942 1.00 0.00 C ATOM 882 CD2 LEU A 64 -5.534 5.743 -5.093 1.00 0.00 C ATOM 0 H LEU A 64 -9.517 5.976 -8.006 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.886 7.520 -6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.431 5.101 -7.797 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.072 6.170 -7.514 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.628 5.333 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.432 3.186 -4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.526 3.244 -6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.773 3.453 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.365 5.247 -4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.668 5.595 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.684 6.810 -4.926 1.00 0.00 H new ATOM 894 N LYS A 65 -6.430 8.645 -7.997 1.00 0.00 N ATOM 895 CA LYS A 65 -5.957 9.628 -8.964 1.00 0.00 C ATOM 896 C LYS A 65 -4.526 9.324 -9.395 1.00 0.00 C ATOM 897 O LYS A 65 -3.908 8.377 -8.907 1.00 0.00 O ATOM 898 CB LYS A 65 -6.034 11.037 -8.371 1.00 0.00 C ATOM 899 CG LYS A 65 -7.360 11.339 -7.691 1.00 0.00 C ATOM 900 CD LYS A 65 -7.215 11.372 -6.177 1.00 0.00 C ATOM 901 CE LYS A 65 -8.195 12.350 -5.545 1.00 0.00 C ATOM 902 NZ LYS A 65 -9.367 11.654 -4.947 1.00 0.00 N ATOM 0 H LYS A 65 -5.787 8.470 -7.225 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.601 9.574 -9.842 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.228 11.163 -7.648 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.868 11.766 -9.164 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.740 12.298 -8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.094 10.583 -7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.383 10.374 -5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.196 11.655 -5.914 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.685 12.928 -4.775 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.539 13.057 -6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.010 12.355 -4.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.869 11.122 -5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.041 10.997 -4.209 1.00 0.00 H new ATOM 916 N VAL A 66 -4.004 10.133 -10.312 1.00 0.00 N ATOM 917 CA VAL A 66 -2.646 9.950 -10.808 1.00 0.00 C ATOM 918 C VAL A 66 -1.674 10.893 -10.108 1.00 0.00 C ATOM 919 O VAL A 66 -0.679 11.323 -10.693 1.00 0.00 O ATOM 920 CB VAL A 66 -2.566 10.185 -12.328 1.00 0.00 C ATOM 921 CG1 VAL A 66 -3.225 9.040 -13.081 1.00 0.00 C ATOM 922 CG2 VAL A 66 -3.205 11.514 -12.698 1.00 0.00 C ATOM 0 H VAL A 66 -4.502 10.921 -10.726 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.367 8.919 -10.592 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.515 10.221 -12.616 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.159 9.224 -14.153 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.717 8.106 -12.841 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.273 8.968 -12.789 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.139 11.662 -13.776 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.252 11.511 -12.396 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.683 12.323 -12.188 1.00 0.00 H new ATOM 932 N GLY A 67 -1.968 11.211 -8.852 1.00 0.00 N ATOM 933 CA GLY A 67 -1.112 12.101 -8.091 1.00 0.00 C ATOM 934 C GLY A 67 -1.245 11.893 -6.595 1.00 0.00 C ATOM 935 O GLY A 67 -1.047 12.822 -5.812 1.00 0.00 O ATOM 0 H GLY A 67 -2.785 10.868 -8.347 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.075 11.943 -8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.359 13.134 -8.335 1.00 0.00 H new ATOM 939 N ASP A 68 -1.584 10.671 -6.198 1.00 0.00 N ATOM 940 CA ASP A 68 -1.745 10.343 -4.787 1.00 0.00 C ATOM 941 C ASP A 68 -0.474 9.715 -4.225 1.00 0.00 C ATOM 942 O ASP A 68 0.386 9.253 -4.975 1.00 0.00 O ATOM 943 CB ASP A 68 -2.926 9.390 -4.595 1.00 0.00 C ATOM 944 CG ASP A 68 -4.263 10.096 -4.716 1.00 0.00 C ATOM 945 OD1 ASP A 68 -4.311 11.320 -4.477 1.00 0.00 O ATOM 946 OD2 ASP A 68 -5.261 9.423 -5.051 1.00 0.00 O ATOM 0 H ASP A 68 -1.753 9.892 -6.834 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.941 11.268 -4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.871 8.593 -5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.854 8.919 -3.615 1.00 0.00 H new ATOM 951 N GLN A 69 -0.361 9.703 -2.901 1.00 0.00 N ATOM 952 CA GLN A 69 0.806 9.133 -2.238 1.00 0.00 C ATOM 953 C GLN A 69 0.397 8.021 -1.277 1.00 0.00 C ATOM 954 O GLN A 69 -0.403 8.237 -0.367 1.00 0.00 O ATOM 955 CB GLN A 69 1.570 10.221 -1.481 1.00 0.00 C ATOM 956 CG GLN A 69 3.022 9.865 -1.206 1.00 0.00 C ATOM 957 CD GLN A 69 3.688 10.835 -0.249 1.00 0.00 C ATOM 958 OE1 GLN A 69 3.095 11.837 0.149 1.00 0.00 O ATOM 959 NE2 GLN A 69 4.928 10.541 0.124 1.00 0.00 N ATOM 0 H GLN A 69 -1.064 10.082 -2.266 1.00 0.00 H new ATOM 0 HA GLN A 69 1.455 8.707 -3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.534 11.146 -2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.066 10.415 -0.534 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.073 8.858 -0.792 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.573 9.851 -2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.381 9.699 -0.231 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.427 11.157 0.766 1.00 0.00 H new ATOM 968 N ILE A 70 0.950 6.831 -1.486 1.00 0.00 N ATOM 969 CA ILE A 70 0.644 5.686 -0.638 1.00 0.00 C ATOM 970 C ILE A 70 1.451 5.727 0.654 1.00 0.00 C ATOM 971 O ILE A 70 2.679 5.639 0.633 1.00 0.00 O ATOM 972 CB ILE A 70 0.926 4.356 -1.364 1.00 0.00 C ATOM 973 CG1 ILE A 70 0.293 4.365 -2.756 1.00 0.00 C ATOM 974 CG2 ILE A 70 0.404 3.186 -0.545 1.00 0.00 C ATOM 975 CD1 ILE A 70 0.739 3.212 -3.629 1.00 0.00 C ATOM 0 H ILE A 70 1.613 6.635 -2.236 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.419 5.744 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 70 2.004 4.242 -1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.792 4.334 -2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.540 5.303 -3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.610 2.253 -1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.898 3.172 0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.671 3.292 -0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.251 3.282 -4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.820 3.253 -3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.468 2.269 -3.153 1.00 0.00 H new ATOM 987 N LEU A 71 0.753 5.863 1.777 1.00 0.00 N ATOM 988 CA LEU A 71 1.407 5.916 3.080 1.00 0.00 C ATOM 989 C LEU A 71 1.674 4.512 3.613 1.00 0.00 C ATOM 990 O LEU A 71 2.712 4.256 4.223 1.00 0.00 O ATOM 991 CB LEU A 71 0.543 6.695 4.074 1.00 0.00 C ATOM 992 CG LEU A 71 0.292 8.159 3.706 1.00 0.00 C ATOM 993 CD1 LEU A 71 -0.768 8.762 4.615 1.00 0.00 C ATOM 994 CD2 LEU A 71 1.584 8.956 3.787 1.00 0.00 C ATOM 0 H LEU A 71 -0.264 5.938 1.811 1.00 0.00 H new ATOM 0 HA LEU A 71 2.362 6.427 2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.418 6.190 4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.021 6.659 5.053 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.073 8.200 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.934 9.803 4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.699 8.205 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.432 8.710 5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.388 9.995 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.978 8.908 4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.314 8.537 3.095 1.00 0.00 H new ATOM 1006 N GLU A 72 0.732 3.605 3.376 1.00 0.00 N ATOM 1007 CA GLU A 72 0.867 2.226 3.831 1.00 0.00 C ATOM 1008 C GLU A 72 -0.093 1.309 3.079 1.00 0.00 C ATOM 1009 O GLU A 72 -1.059 1.769 2.471 1.00 0.00 O ATOM 1010 CB GLU A 72 0.605 2.135 5.336 1.00 0.00 C ATOM 1011 CG GLU A 72 -0.766 2.650 5.746 1.00 0.00 C ATOM 1012 CD GLU A 72 -0.691 3.916 6.576 1.00 0.00 C ATOM 1013 OE1 GLU A 72 -0.434 3.814 7.795 1.00 0.00 O ATOM 1014 OE2 GLU A 72 -0.887 5.011 6.008 1.00 0.00 O ATOM 0 H GLU A 72 -0.133 3.800 2.872 1.00 0.00 H new ATOM 0 HA GLU A 72 1.887 1.900 3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.703 1.096 5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.371 2.703 5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.360 2.841 4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.285 1.878 6.314 1.00 0.00 H new ATOM 1021 N VAL A 73 0.180 0.009 3.129 1.00 0.00 N ATOM 1022 CA VAL A 73 -0.659 -0.974 2.453 1.00 0.00 C ATOM 1023 C VAL A 73 -0.761 -2.260 3.265 1.00 0.00 C ATOM 1024 O VAL A 73 0.243 -2.924 3.523 1.00 0.00 O ATOM 1025 CB VAL A 73 -0.117 -1.307 1.051 1.00 0.00 C ATOM 1026 CG1 VAL A 73 -1.106 -2.175 0.288 1.00 0.00 C ATOM 1027 CG2 VAL A 73 0.191 -0.033 0.281 1.00 0.00 C ATOM 0 H VAL A 73 0.975 -0.388 3.630 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.649 -0.530 2.355 1.00 0.00 H new ATOM 0 HB VAL A 73 0.811 -1.868 1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.706 -2.400 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.270 -3.104 0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.052 -1.643 0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.573 -0.289 -0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.719 0.558 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.940 0.546 0.821 1.00 0.00 H new ATOM 1037 N ASN A 74 -1.980 -2.606 3.666 1.00 0.00 N ATOM 1038 CA ASN A 74 -2.212 -3.814 4.449 1.00 0.00 C ATOM 1039 C ASN A 74 -1.454 -3.761 5.771 1.00 0.00 C ATOM 1040 O ASN A 74 -1.035 -4.791 6.299 1.00 0.00 O ATOM 1041 CB ASN A 74 -1.789 -5.052 3.654 1.00 0.00 C ATOM 1042 CG ASN A 74 -2.881 -5.543 2.725 1.00 0.00 C ATOM 1043 OD1 ASN A 74 -3.999 -5.828 3.157 1.00 0.00 O ATOM 1044 ND2 ASN A 74 -2.564 -5.644 1.439 1.00 0.00 N ATOM 0 H ASN A 74 -2.822 -2.067 3.462 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.278 -3.876 4.665 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.898 -4.819 3.071 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.518 -5.850 4.346 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.259 -5.968 0.766 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.626 -5.397 1.124 1.00 0.00 H new ATOM 1051 N GLY A 75 -1.281 -2.554 6.300 1.00 0.00 N ATOM 1052 CA GLY A 75 -0.573 -2.389 7.556 1.00 0.00 C ATOM 1053 C GLY A 75 0.932 -2.419 7.382 1.00 0.00 C ATOM 1054 O GLY A 75 1.661 -2.814 8.290 1.00 0.00 O ATOM 0 H GLY A 75 -1.618 -1.687 5.881 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.864 -1.443 8.012 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.872 -3.180 8.244 1.00 0.00 H new ATOM 1058 N ARG A 76 1.398 -2.000 6.209 1.00 0.00 N ATOM 1059 CA ARG A 76 2.827 -1.981 5.917 1.00 0.00 C ATOM 1060 C ARG A 76 3.298 -0.566 5.596 1.00 0.00 C ATOM 1061 O ARG A 76 2.602 0.193 4.921 1.00 0.00 O ATOM 1062 CB ARG A 76 3.143 -2.913 4.746 1.00 0.00 C ATOM 1063 CG ARG A 76 4.623 -3.227 4.601 1.00 0.00 C ATOM 1064 CD ARG A 76 4.926 -4.674 4.958 1.00 0.00 C ATOM 1065 NE ARG A 76 6.185 -4.805 5.687 1.00 0.00 N ATOM 1066 CZ ARG A 76 6.846 -5.953 5.826 1.00 0.00 C ATOM 1067 NH1 ARG A 76 6.369 -7.069 5.287 1.00 0.00 N ATOM 1068 NH2 ARG A 76 7.984 -5.985 6.504 1.00 0.00 N ATOM 0 H ARG A 76 0.807 -1.669 5.446 1.00 0.00 H new ATOM 0 HA ARG A 76 3.357 -2.330 6.803 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.593 -3.845 4.876 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.785 -2.457 3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.938 -3.031 3.576 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.201 -2.564 5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.113 -5.076 5.563 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.971 -5.271 4.047 1.00 0.00 H new ATOM 0 HE ARG A 76 6.581 -3.968 6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.493 -7.049 4.764 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.878 -7.946 5.396 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.354 -5.130 6.920 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.490 -6.864 6.610 1.00 0.00 H new ATOM 1082 N SER A 77 4.485 -0.218 6.083 1.00 0.00 N ATOM 1083 CA SER A 77 5.050 1.105 5.848 1.00 0.00 C ATOM 1084 C SER A 77 5.602 1.217 4.431 1.00 0.00 C ATOM 1085 O SER A 77 6.600 0.581 4.091 1.00 0.00 O ATOM 1086 CB SER A 77 6.154 1.399 6.864 1.00 0.00 C ATOM 1087 OG SER A 77 5.898 0.749 8.098 1.00 0.00 O ATOM 0 H SER A 77 5.074 -0.834 6.643 1.00 0.00 H new ATOM 0 HA SER A 77 4.253 1.839 5.966 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.114 1.069 6.468 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.228 2.475 7.024 1.00 0.00 H new ATOM 0 HG SER A 77 6.619 0.951 8.730 1.00 0.00 H new ATOM 1093 N PHE A 78 4.948 2.030 3.608 1.00 0.00 N ATOM 1094 CA PHE A 78 5.373 2.225 2.228 1.00 0.00 C ATOM 1095 C PHE A 78 6.079 3.568 2.060 1.00 0.00 C ATOM 1096 O PHE A 78 5.986 4.202 1.009 1.00 0.00 O ATOM 1097 CB PHE A 78 4.170 2.145 1.286 1.00 0.00 C ATOM 1098 CG PHE A 78 3.941 0.771 0.721 1.00 0.00 C ATOM 1099 CD1 PHE A 78 3.572 -0.278 1.546 1.00 0.00 C ATOM 1100 CD2 PHE A 78 4.093 0.532 -0.635 1.00 0.00 C ATOM 1101 CE1 PHE A 78 3.361 -1.543 1.029 1.00 0.00 C ATOM 1102 CE2 PHE A 78 3.884 -0.730 -1.158 1.00 0.00 C ATOM 1103 CZ PHE A 78 3.517 -1.769 -0.324 1.00 0.00 C ATOM 0 H PHE A 78 4.121 2.565 3.874 1.00 0.00 H new ATOM 0 HA PHE A 78 6.077 1.432 1.975 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.276 2.462 1.823 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.314 2.847 0.465 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.448 -0.106 2.605 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.378 1.341 -1.291 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.074 -2.353 1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.007 -0.904 -2.217 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.352 -2.756 -0.730 1.00 0.00 H new ATOM 1113 N LEU A 79 6.782 3.995 3.102 1.00 0.00 N ATOM 1114 CA LEU A 79 7.503 5.262 3.071 1.00 0.00 C ATOM 1115 C LEU A 79 8.863 5.099 2.399 1.00 0.00 C ATOM 1116 O LEU A 79 9.366 6.023 1.761 1.00 0.00 O ATOM 1117 CB LEU A 79 7.685 5.805 4.490 1.00 0.00 C ATOM 1118 CG LEU A 79 6.437 6.436 5.107 1.00 0.00 C ATOM 1119 CD1 LEU A 79 6.606 6.593 6.610 1.00 0.00 C ATOM 1120 CD2 LEU A 79 6.144 7.780 4.459 1.00 0.00 C ATOM 0 H LEU A 79 6.868 3.482 3.980 1.00 0.00 H new ATOM 0 HA LEU A 79 6.914 5.972 2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.018 4.991 5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.482 6.549 4.478 1.00 0.00 H new ATOM 0 HG LEU A 79 5.590 5.774 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.708 7.044 7.032 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.768 5.614 7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.464 7.233 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.252 8.215 4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.991 8.449 4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.979 7.641 3.391 1.00 0.00 H new ATOM 1132 N ASN A 80 9.452 3.917 2.547 1.00 0.00 N ATOM 1133 CA ASN A 80 10.754 3.633 1.954 1.00 0.00 C ATOM 1134 C ASN A 80 10.795 2.220 1.378 1.00 0.00 C ATOM 1135 O ASN A 80 11.785 1.505 1.531 1.00 0.00 O ATOM 1136 CB ASN A 80 11.860 3.804 2.996 1.00 0.00 C ATOM 1137 CG ASN A 80 13.238 3.884 2.369 1.00 0.00 C ATOM 1138 OD1 ASN A 80 13.377 4.160 1.178 1.00 0.00 O ATOM 1139 ND2 ASN A 80 14.268 3.640 3.172 1.00 0.00 N ATOM 0 H ASN A 80 9.049 3.141 3.072 1.00 0.00 H new ATOM 0 HA ASN A 80 10.917 4.341 1.141 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.674 4.709 3.574 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.830 2.968 3.694 1.00 0.00 H new ATOM 0 HD21 ASN A 80 15.220 3.678 2.807 1.00 0.00 H new ATOM 0 HD22 ASN A 80 14.107 3.415 4.154 1.00 0.00 H new ATOM 1146 N ILE A 81 9.714 1.826 0.714 1.00 0.00 N ATOM 1147 CA ILE A 81 9.628 0.499 0.115 1.00 0.00 C ATOM 1148 C ILE A 81 10.189 0.501 -1.305 1.00 0.00 C ATOM 1149 O ILE A 81 10.011 1.464 -2.052 1.00 0.00 O ATOM 1150 CB ILE A 81 8.173 -0.012 0.087 1.00 0.00 C ATOM 1151 CG1 ILE A 81 8.118 -1.445 -0.456 1.00 0.00 C ATOM 1152 CG2 ILE A 81 7.295 0.913 -0.746 1.00 0.00 C ATOM 1153 CD1 ILE A 81 7.283 -2.379 0.390 1.00 0.00 C ATOM 0 H ILE A 81 8.886 2.406 0.577 1.00 0.00 H new ATOM 0 HA ILE A 81 10.224 -0.170 0.735 1.00 0.00 H new ATOM 0 HB ILE A 81 7.790 -0.017 1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 81 7.715 -1.426 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.132 -1.838 -0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.273 0.535 -0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.309 1.914 -0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.674 0.953 -1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.289 -3.375 -0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.698 -2.428 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.259 -2.009 0.438 1.00 0.00 H new ATOM 1165 N LEU A 82 10.865 -0.583 -1.670 1.00 0.00 N ATOM 1166 CA LEU A 82 11.452 -0.706 -2.999 1.00 0.00 C ATOM 1167 C LEU A 82 10.372 -0.672 -4.076 1.00 0.00 C ATOM 1168 O LEU A 82 9.225 -1.044 -3.830 1.00 0.00 O ATOM 1169 CB LEU A 82 12.256 -2.004 -3.105 1.00 0.00 C ATOM 1170 CG LEU A 82 13.706 -1.908 -2.628 1.00 0.00 C ATOM 1171 CD1 LEU A 82 14.085 -3.136 -1.815 1.00 0.00 C ATOM 1172 CD2 LEU A 82 14.647 -1.738 -3.810 1.00 0.00 C ATOM 0 H LEU A 82 11.020 -1.389 -1.064 1.00 0.00 H new ATOM 0 HA LEU A 82 12.120 0.141 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.749 -2.776 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.252 -2.332 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 82 13.798 -1.031 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.120 -3.049 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.432 -3.212 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.975 -4.028 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.674 -1.672 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.551 -2.594 -4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.392 -0.826 -4.350 1.00 0.00 H new ATOM 1184 N HIS A 83 10.748 -0.225 -5.270 1.00 0.00 N ATOM 1185 CA HIS A 83 9.811 -0.142 -6.384 1.00 0.00 C ATOM 1186 C HIS A 83 9.241 -1.517 -6.721 1.00 0.00 C ATOM 1187 O HIS A 83 8.025 -1.693 -6.799 1.00 0.00 O ATOM 1188 CB HIS A 83 10.500 0.451 -7.615 1.00 0.00 C ATOM 1189 CG HIS A 83 9.544 0.877 -8.686 1.00 0.00 C ATOM 1190 ND1 HIS A 83 9.201 2.194 -8.909 1.00 0.00 N ATOM 1191 CD2 HIS A 83 8.857 0.151 -9.601 1.00 0.00 C ATOM 1192 CE1 HIS A 83 8.344 2.260 -9.913 1.00 0.00 C ATOM 1193 NE2 HIS A 83 8.120 1.035 -10.350 1.00 0.00 N ATOM 0 H HIS A 83 11.694 0.085 -5.491 1.00 0.00 H new ATOM 0 HA HIS A 83 8.989 0.509 -6.086 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.097 1.310 -7.309 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.189 -0.286 -8.026 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.884 -0.922 -9.719 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.902 3.163 -10.308 1.00 0.00 H new ATOM 0 HE2 HIS A 83 7.499 0.785 -11.120 1.00 0.00 H new ATOM 1202 N ASP A 84 10.127 -2.487 -6.920 1.00 0.00 N ATOM 1203 CA ASP A 84 9.712 -3.847 -7.246 1.00 0.00 C ATOM 1204 C ASP A 84 8.834 -4.428 -6.143 1.00 0.00 C ATOM 1205 O ASP A 84 7.755 -4.958 -6.409 1.00 0.00 O ATOM 1206 CB ASP A 84 10.936 -4.737 -7.464 1.00 0.00 C ATOM 1207 CG ASP A 84 11.481 -4.635 -8.875 1.00 0.00 C ATOM 1208 OD1 ASP A 84 10.855 -5.200 -9.796 1.00 0.00 O ATOM 1209 OD2 ASP A 84 12.535 -3.990 -9.059 1.00 0.00 O ATOM 0 H ASP A 84 11.137 -2.357 -6.861 1.00 0.00 H new ATOM 0 HA ASP A 84 9.129 -3.812 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.716 -4.458 -6.755 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.670 -5.773 -7.254 1.00 0.00 H new ATOM 1214 N GLU A 85 9.304 -4.325 -4.904 1.00 0.00 N ATOM 1215 CA GLU A 85 8.562 -4.841 -3.760 1.00 0.00 C ATOM 1216 C GLU A 85 7.213 -4.143 -3.628 1.00 0.00 C ATOM 1217 O GLU A 85 6.240 -4.735 -3.160 1.00 0.00 O ATOM 1218 CB GLU A 85 9.373 -4.659 -2.476 1.00 0.00 C ATOM 1219 CG GLU A 85 8.948 -5.590 -1.351 1.00 0.00 C ATOM 1220 CD GLU A 85 9.900 -5.552 -0.172 1.00 0.00 C ATOM 1221 OE1 GLU A 85 9.951 -4.510 0.515 1.00 0.00 O ATOM 1222 OE2 GLU A 85 10.592 -6.564 0.065 1.00 0.00 O ATOM 0 H GLU A 85 10.195 -3.889 -4.667 1.00 0.00 H new ATOM 0 HA GLU A 85 8.386 -5.904 -3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.428 -4.826 -2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.277 -3.627 -2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.948 -5.315 -1.015 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.887 -6.610 -1.732 1.00 0.00 H new ATOM 1229 N ALA A 86 7.161 -2.881 -4.042 1.00 0.00 N ATOM 1230 CA ALA A 86 5.931 -2.103 -3.970 1.00 0.00 C ATOM 1231 C ALA A 86 4.871 -2.665 -4.911 1.00 0.00 C ATOM 1232 O ALA A 86 3.739 -2.926 -4.503 1.00 0.00 O ATOM 1233 CB ALA A 86 6.210 -0.644 -4.298 1.00 0.00 C ATOM 0 H ALA A 86 7.957 -2.376 -4.431 1.00 0.00 H new ATOM 0 HA ALA A 86 5.547 -2.168 -2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.282 -0.074 -4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.928 -0.241 -3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.620 -0.569 -5.305 1.00 0.00 H new ATOM 1239 N VAL A 87 5.244 -2.848 -6.174 1.00 0.00 N ATOM 1240 CA VAL A 87 4.326 -3.378 -7.174 1.00 0.00 C ATOM 1241 C VAL A 87 3.986 -4.838 -6.890 1.00 0.00 C ATOM 1242 O VAL A 87 2.823 -5.237 -6.946 1.00 0.00 O ATOM 1243 CB VAL A 87 4.915 -3.267 -8.593 1.00 0.00 C ATOM 1244 CG1 VAL A 87 3.878 -3.658 -9.636 1.00 0.00 C ATOM 1245 CG2 VAL A 87 5.431 -1.859 -8.847 1.00 0.00 C ATOM 0 H VAL A 87 6.177 -2.637 -6.528 1.00 0.00 H new ATOM 0 HA VAL A 87 3.418 -2.778 -7.118 1.00 0.00 H new ATOM 0 HB VAL A 87 5.754 -3.958 -8.673 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.313 -3.573 -10.632 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.560 -4.687 -9.465 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.016 -2.995 -9.559 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.844 -1.799 -9.854 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.611 -1.148 -8.748 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.209 -1.620 -8.122 1.00 0.00 H new ATOM 1255 N ARG A 88 5.009 -5.629 -6.585 1.00 0.00 N ATOM 1256 CA ARG A 88 4.820 -7.046 -6.294 1.00 0.00 C ATOM 1257 C ARG A 88 3.874 -7.237 -5.112 1.00 0.00 C ATOM 1258 O ARG A 88 2.929 -8.025 -5.183 1.00 0.00 O ATOM 1259 CB ARG A 88 6.167 -7.710 -6.000 1.00 0.00 C ATOM 1260 CG ARG A 88 6.323 -9.077 -6.646 1.00 0.00 C ATOM 1261 CD ARG A 88 7.316 -9.041 -7.797 1.00 0.00 C ATOM 1262 NE ARG A 88 8.698 -9.132 -7.331 1.00 0.00 N ATOM 1263 CZ ARG A 88 9.722 -9.478 -8.108 1.00 0.00 C ATOM 1264 NH1 ARG A 88 9.524 -9.765 -9.389 1.00 0.00 N ATOM 1265 NH2 ARG A 88 10.947 -9.538 -7.604 1.00 0.00 N ATOM 0 H ARG A 88 5.978 -5.313 -6.533 1.00 0.00 H new ATOM 0 HA ARG A 88 4.375 -7.517 -7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.968 -7.058 -6.349 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.286 -7.811 -4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.657 -9.797 -5.899 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.355 -9.421 -7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.109 -9.865 -8.480 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.184 -8.118 -8.361 1.00 0.00 H new ATOM 0 HE ARG A 88 8.889 -8.918 -6.352 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.584 -9.721 -9.782 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.312 -10.030 -9.980 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.105 -9.319 -6.620 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.731 -9.803 -8.200 1.00 0.00 H new ATOM 1279 N LEU A 89 4.132 -6.513 -4.028 1.00 0.00 N ATOM 1280 CA LEU A 89 3.300 -6.605 -2.834 1.00 0.00 C ATOM 1281 C LEU A 89 1.862 -6.200 -3.139 1.00 0.00 C ATOM 1282 O LEU A 89 0.918 -6.738 -2.559 1.00 0.00 O ATOM 1283 CB LEU A 89 3.867 -5.720 -1.722 1.00 0.00 C ATOM 1284 CG LEU A 89 3.265 -5.957 -0.336 1.00 0.00 C ATOM 1285 CD1 LEU A 89 3.663 -7.327 0.192 1.00 0.00 C ATOM 1286 CD2 LEU A 89 3.703 -4.864 0.628 1.00 0.00 C ATOM 0 H LEU A 89 4.909 -5.857 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 89 3.302 -7.643 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.944 -5.879 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.713 -4.676 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 89 2.179 -5.925 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.226 -7.478 1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.300 -8.098 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.749 -7.388 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.266 -5.048 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.790 -4.865 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.367 -3.896 0.257 1.00 0.00 H new ATOM 1298 N LEU A 90 1.702 -5.249 -4.053 1.00 0.00 N ATOM 1299 CA LEU A 90 0.378 -4.772 -4.437 1.00 0.00 C ATOM 1300 C LEU A 90 -0.307 -5.765 -5.369 1.00 0.00 C ATOM 1301 O LEU A 90 -1.524 -5.945 -5.315 1.00 0.00 O ATOM 1302 CB LEU A 90 0.482 -3.406 -5.117 1.00 0.00 C ATOM 1303 CG LEU A 90 0.609 -2.217 -4.163 1.00 0.00 C ATOM 1304 CD1 LEU A 90 1.274 -1.042 -4.861 1.00 0.00 C ATOM 1305 CD2 LEU A 90 -0.757 -1.818 -3.626 1.00 0.00 C ATOM 0 H LEU A 90 2.473 -4.793 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.222 -4.675 -3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.346 -3.413 -5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.400 -3.259 -5.741 1.00 0.00 H new ATOM 0 HG LEU A 90 1.235 -2.514 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.356 -0.205 -4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.269 -1.334 -5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.675 -0.743 -5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.648 -0.971 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.407 -1.539 -4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.196 -2.658 -3.088 1.00 0.00 H new ATOM 1317 N LYS A 91 0.482 -6.409 -6.222 1.00 0.00 N ATOM 1318 CA LYS A 91 -0.047 -7.385 -7.167 1.00 0.00 C ATOM 1319 C LYS A 91 0.309 -8.805 -6.737 1.00 0.00 C ATOM 1320 O LYS A 91 1.136 -9.467 -7.366 1.00 0.00 O ATOM 1321 CB LYS A 91 0.494 -7.112 -8.572 1.00 0.00 C ATOM 1322 CG LYS A 91 0.410 -5.650 -8.982 1.00 0.00 C ATOM 1323 CD LYS A 91 -1.032 -5.205 -9.174 1.00 0.00 C ATOM 1324 CE LYS A 91 -1.232 -4.524 -10.520 1.00 0.00 C ATOM 1325 NZ LYS A 91 -0.878 -5.421 -11.655 1.00 0.00 N ATOM 0 H LYS A 91 1.491 -6.272 -6.278 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.133 -7.290 -7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.534 -7.436 -8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.062 -7.715 -9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.885 -5.030 -8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.965 -5.499 -9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.693 -6.069 -9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.312 -4.520 -8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.271 -4.209 -10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.620 -3.623 -10.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.459 -5.179 -12.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.128 -5.302 -11.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.056 -6.409 -11.385 1.00 0.00 H new ATOM 1339 N SER A 92 -0.321 -9.268 -5.663 1.00 0.00 N ATOM 1340 CA SER A 92 -0.072 -10.609 -5.148 1.00 0.00 C ATOM 1341 C SER A 92 -1.069 -10.964 -4.050 1.00 0.00 C ATOM 1342 O SER A 92 -1.682 -12.031 -4.075 1.00 0.00 O ATOM 1343 CB SER A 92 1.356 -10.713 -4.608 1.00 0.00 C ATOM 1344 OG SER A 92 2.256 -11.126 -5.621 1.00 0.00 O ATOM 0 H SER A 92 -1.009 -8.734 -5.132 1.00 0.00 H new ATOM 0 HA SER A 92 -0.196 -11.315 -5.969 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.669 -9.747 -4.211 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.384 -11.422 -3.781 1.00 0.00 H new ATOM 0 HG SER A 92 2.125 -10.574 -6.420 1.00 0.00 H new ATOM 1350 N SER A 93 -1.227 -10.062 -3.086 1.00 0.00 N ATOM 1351 CA SER A 93 -2.149 -10.282 -1.979 1.00 0.00 C ATOM 1352 C SER A 93 -3.587 -9.998 -2.403 1.00 0.00 C ATOM 1353 O SER A 93 -3.836 -9.144 -3.254 1.00 0.00 O ATOM 1354 CB SER A 93 -1.772 -9.395 -0.790 1.00 0.00 C ATOM 1355 OG SER A 93 -0.902 -10.075 0.097 1.00 0.00 O ATOM 0 H SER A 93 -0.729 -9.173 -3.050 1.00 0.00 H new ATOM 0 HA SER A 93 -2.077 -11.328 -1.682 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.292 -8.485 -1.149 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.674 -9.091 -0.258 1.00 0.00 H new ATOM 0 HG SER A 93 -0.674 -9.487 0.847 1.00 0.00 H new ATOM 1361 N ARG A 94 -4.528 -10.719 -1.803 1.00 0.00 N ATOM 1362 CA ARG A 94 -5.942 -10.545 -2.119 1.00 0.00 C ATOM 1363 C ARG A 94 -6.462 -9.221 -1.569 1.00 0.00 C ATOM 1364 O ARG A 94 -6.898 -8.352 -2.323 1.00 0.00 O ATOM 1365 CB ARG A 94 -6.760 -11.706 -1.550 1.00 0.00 C ATOM 1366 CG ARG A 94 -6.987 -12.832 -2.545 1.00 0.00 C ATOM 1367 CD ARG A 94 -5.786 -13.760 -2.621 1.00 0.00 C ATOM 1368 NE ARG A 94 -5.986 -14.838 -3.587 1.00 0.00 N ATOM 1369 CZ ARG A 94 -5.000 -15.575 -4.091 1.00 0.00 C ATOM 1370 NH1 ARG A 94 -3.743 -15.357 -3.721 1.00 0.00 N ATOM 1371 NH2 ARG A 94 -5.269 -16.535 -4.966 1.00 0.00 N ATOM 0 H ARG A 94 -4.338 -11.429 -1.096 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.049 -10.534 -3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.250 -12.104 -0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.726 -11.329 -1.213 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.870 -13.402 -2.256 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.187 -12.413 -3.531 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.901 -13.186 -2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.595 -14.187 -1.636 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.938 -15.037 -3.893 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.530 -14.621 -3.047 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.991 -15.925 -4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.232 -16.708 -5.253 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.512 -17.100 -5.352 1.00 0.00 H new ATOM 1385 N HIS A 95 -6.414 -9.075 -0.248 1.00 0.00 N ATOM 1386 CA HIS A 95 -6.881 -7.856 0.402 1.00 0.00 C ATOM 1387 C HIS A 95 -5.865 -6.730 0.240 1.00 0.00 C ATOM 1388 O HIS A 95 -4.672 -6.918 0.475 1.00 0.00 O ATOM 1389 CB HIS A 95 -7.143 -8.112 1.888 1.00 0.00 C ATOM 1390 CG HIS A 95 -8.226 -7.252 2.461 1.00 0.00 C ATOM 1391 ND1 HIS A 95 -9.204 -7.737 3.305 1.00 0.00 N ATOM 1392 CD2 HIS A 95 -8.483 -5.932 2.310 1.00 0.00 C ATOM 1393 CE1 HIS A 95 -10.017 -6.752 3.646 1.00 0.00 C ATOM 1394 NE2 HIS A 95 -9.600 -5.647 3.056 1.00 0.00 N ATOM 0 H HIS A 95 -6.057 -9.785 0.392 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.812 -7.553 -0.077 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.411 -9.160 2.026 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.222 -7.942 2.446 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -7.915 -5.233 1.714 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -10.875 -6.837 4.296 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -10.037 -4.729 3.141 1.00 0.00 H new ATOM 1403 N LEU A 96 -6.347 -5.558 -0.165 1.00 0.00 N ATOM 1404 CA LEU A 96 -5.481 -4.402 -0.360 1.00 0.00 C ATOM 1405 C LEU A 96 -6.103 -3.150 0.249 1.00 0.00 C ATOM 1406 O LEU A 96 -7.080 -2.612 -0.273 1.00 0.00 O ATOM 1407 CB LEU A 96 -5.217 -4.183 -1.850 1.00 0.00 C ATOM 1408 CG LEU A 96 -4.785 -5.430 -2.620 1.00 0.00 C ATOM 1409 CD1 LEU A 96 -4.830 -5.175 -4.119 1.00 0.00 C ATOM 1410 CD2 LEU A 96 -3.390 -5.864 -2.193 1.00 0.00 C ATOM 0 H LEU A 96 -7.332 -5.385 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.534 -4.597 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.122 -3.786 -2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.445 -3.422 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.482 -6.236 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.519 -6.074 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.846 -4.913 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.157 -4.355 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.099 -6.753 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.681 -5.061 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.389 -6.089 -1.126 1.00 0.00 H new ATOM 1422 N ILE A 97 -5.531 -2.690 1.357 1.00 0.00 N ATOM 1423 CA ILE A 97 -6.029 -1.501 2.038 1.00 0.00 C ATOM 1424 C ILE A 97 -4.989 -0.385 2.025 1.00 0.00 C ATOM 1425 O ILE A 97 -4.255 -0.196 2.994 1.00 0.00 O ATOM 1426 CB ILE A 97 -6.417 -1.811 3.498 1.00 0.00 C ATOM 1427 CG1 ILE A 97 -7.336 -3.033 3.558 1.00 0.00 C ATOM 1428 CG2 ILE A 97 -7.090 -0.604 4.136 1.00 0.00 C ATOM 1429 CD1 ILE A 97 -7.021 -3.970 4.704 1.00 0.00 C ATOM 0 H ILE A 97 -4.722 -3.123 1.802 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.916 -1.173 1.496 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.509 -2.035 4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.369 -2.697 3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.260 -3.582 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.358 -0.839 5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.405 0.244 4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.990 -0.351 3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.711 -4.813 4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.999 -4.335 4.605 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.126 -3.437 5.649 1.00 0.00 H new ATOM 1441 N LEU A 98 -4.934 0.352 0.920 1.00 0.00 N ATOM 1442 CA LEU A 98 -3.984 1.449 0.781 1.00 0.00 C ATOM 1443 C LEU A 98 -4.459 2.678 1.549 1.00 0.00 C ATOM 1444 O LEU A 98 -5.660 2.925 1.665 1.00 0.00 O ATOM 1445 CB LEU A 98 -3.790 1.800 -0.696 1.00 0.00 C ATOM 1446 CG LEU A 98 -2.999 0.772 -1.507 1.00 0.00 C ATOM 1447 CD1 LEU A 98 -3.940 -0.211 -2.187 1.00 0.00 C ATOM 1448 CD2 LEU A 98 -2.119 1.467 -2.536 1.00 0.00 C ATOM 0 H LEU A 98 -5.536 0.209 0.109 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.030 1.127 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.770 1.926 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.281 2.762 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.357 0.216 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.359 -0.934 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.528 -0.733 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.608 0.329 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.564 0.720 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.743 2.049 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.419 2.130 -2.028 1.00 0.00 H new ATOM 1460 N THR A 99 -3.508 3.447 2.071 1.00 0.00 N ATOM 1461 CA THR A 99 -3.829 4.652 2.829 1.00 0.00 C ATOM 1462 C THR A 99 -3.194 5.882 2.188 1.00 0.00 C ATOM 1463 O THR A 99 -2.054 6.233 2.492 1.00 0.00 O ATOM 1464 CB THR A 99 -3.351 4.512 4.275 1.00 0.00 C ATOM 1465 OG1 THR A 99 -3.739 3.260 4.811 1.00 0.00 O ATOM 1466 CG2 THR A 99 -3.890 5.591 5.189 1.00 0.00 C ATOM 0 H THR A 99 -2.510 3.257 1.983 1.00 0.00 H new ATOM 0 HA THR A 99 -4.912 4.779 2.822 1.00 0.00 H new ATOM 0 HB THR A 99 -2.266 4.604 4.232 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.423 3.188 5.736 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.513 5.434 6.200 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.567 6.568 4.829 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.979 5.550 5.198 1.00 0.00 H new ATOM 1474 N VAL A 100 -3.938 6.531 1.300 1.00 0.00 N ATOM 1475 CA VAL A 100 -3.448 7.721 0.615 1.00 0.00 C ATOM 1476 C VAL A 100 -3.965 8.991 1.283 1.00 0.00 C ATOM 1477 O VAL A 100 -4.974 8.969 1.987 1.00 0.00 O ATOM 1478 CB VAL A 100 -3.863 7.728 -0.869 1.00 0.00 C ATOM 1479 CG1 VAL A 100 -3.205 6.575 -1.611 1.00 0.00 C ATOM 1480 CG2 VAL A 100 -5.379 7.667 -1.002 1.00 0.00 C ATOM 0 H VAL A 100 -4.884 6.253 1.037 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.360 7.697 0.679 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.522 8.660 -1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.509 6.595 -2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.121 6.672 -1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.512 5.631 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.652 7.673 -2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.749 6.753 -0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.823 8.531 -0.508 1.00 0.00 H new ATOM 1490 N LYS A 101 -3.264 10.099 1.057 1.00 0.00 N ATOM 1491 CA LYS A 101 -3.651 11.380 1.638 1.00 0.00 C ATOM 1492 C LYS A 101 -3.894 12.419 0.547 1.00 0.00 C ATOM 1493 O LYS A 101 -3.508 12.227 -0.605 1.00 0.00 O ATOM 1494 CB LYS A 101 -2.567 11.876 2.597 1.00 0.00 C ATOM 1495 CG LYS A 101 -1.207 12.047 1.940 1.00 0.00 C ATOM 1496 CD LYS A 101 -0.341 13.038 2.702 1.00 0.00 C ATOM 1497 CE LYS A 101 0.803 13.553 1.844 1.00 0.00 C ATOM 1498 NZ LYS A 101 1.869 14.192 2.664 1.00 0.00 N ATOM 0 H LYS A 101 -2.426 10.135 0.476 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.579 11.235 2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.878 12.830 3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.476 11.173 3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.701 11.083 1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.338 12.390 0.914 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.953 13.876 3.036 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.060 12.560 3.596 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.229 12.727 1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.419 14.274 1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.630 14.530 2.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.469 14.996 3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.254 13.497 3.336 1.00 0.00 H new ATOM 1512 N ASP A 102 -4.537 13.520 0.921 1.00 0.00 N ATOM 1513 CA ASP A 102 -4.832 14.591 -0.026 1.00 0.00 C ATOM 1514 C ASP A 102 -3.544 15.218 -0.551 1.00 0.00 C ATOM 1515 O ASP A 102 -2.958 16.088 0.094 1.00 0.00 O ATOM 1516 CB ASP A 102 -5.702 15.660 0.636 1.00 0.00 C ATOM 1517 CG ASP A 102 -5.103 16.173 1.931 1.00 0.00 C ATOM 1518 OD1 ASP A 102 -4.752 15.341 2.793 1.00 0.00 O ATOM 1519 OD2 ASP A 102 -4.985 17.407 2.082 1.00 0.00 O ATOM 0 H ASP A 102 -4.864 13.695 1.871 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.376 14.162 -0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -5.837 16.493 -0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.691 15.248 0.835 1.00 0.00 H new