USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 625 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 60 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 61 SER OG : rot 57:sc= 1.14 USER MOD Set 1.3: A 92 SER OG : rot 3:sc= 0.732 USER MOD Set 2.1: A 24 CYS SG : rot 123:sc= -1.23! USER MOD Set 2.2: A 91 TYR OH : rot -142:sc= -0.402 USER MOD Set 3.1: A 29 THR OG1 : rot 88:sc= 1.2 USER MOD Set 3.2: A 43 TYR OH : rot 180:sc= -0.734 USER MOD Single : A 20 MET CE :methyl 172:sc= -1.05 (180deg=-1.17) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 82:sc= 0.297 USER MOD Single : A 33 LYS NZ :NH3+ 136:sc= 0.166 (180deg=0) USER MOD Single : A 34 SER OG : rot 76:sc= 0.0352 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.0102 X(o=-0.01,f=-0.086) USER MOD Single : A 45 ASN : amide:sc= -0.0064 K(o=-0.0064,f=-2.1!) USER MOD Single : A 48 ASN : amide:sc= -0.105 X(o=-0.1,f=-0.4) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0831 USER MOD Single : A 51 THR OG1 : rot -15:sc= 0.928 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 134:sc= -0.377 USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= 0.926 (180deg=0.794) USER MOD Single : A 79 LYS NZ :NH3+ 136:sc= 0.0277 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc=-0.000986 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 260 N ARG A 17 -13.429 -1.962 0.136 1.00 0.00 N ATOM 261 CA ARG A 17 -12.291 -1.069 0.327 1.00 0.00 C ATOM 262 C ARG A 17 -11.946 -0.915 1.806 1.00 0.00 C ATOM 263 O ARG A 17 -10.779 -0.763 2.167 1.00 0.00 O ATOM 264 CB ARG A 17 -12.583 0.302 -0.287 1.00 0.00 C ATOM 265 CG ARG A 17 -13.892 0.914 0.185 1.00 0.00 C ATOM 266 CD ARG A 17 -13.808 2.431 0.246 1.00 0.00 C ATOM 267 NE ARG A 17 -15.127 3.048 0.332 1.00 0.00 N ATOM 268 CZ ARG A 17 -15.972 3.140 -0.693 1.00 0.00 C ATOM 269 NH1 ARG A 17 -15.637 2.655 -1.883 1.00 0.00 N ATOM 270 NH2 ARG A 17 -17.155 3.717 -0.528 1.00 0.00 N ATOM 0 HA ARG A 17 -11.432 -1.513 -0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.766 0.981 -0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.607 0.207 -1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.696 0.620 -0.489 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.143 0.523 1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.212 2.727 1.110 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.291 2.801 -0.639 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.419 3.432 1.231 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.729 2.210 -2.015 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.288 2.728 -2.665 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.418 4.090 0.384 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.802 3.787 -1.313 1.00 0.00 H new ATOM 284 N GLU A 18 -12.966 -0.951 2.657 1.00 0.00 N ATOM 285 CA GLU A 18 -12.760 -0.811 4.096 1.00 0.00 C ATOM 286 C GLU A 18 -11.860 -1.922 4.632 1.00 0.00 C ATOM 287 O GLU A 18 -10.999 -1.681 5.478 1.00 0.00 O ATOM 288 CB GLU A 18 -14.102 -0.825 4.834 1.00 0.00 C ATOM 289 CG GLU A 18 -15.069 -1.883 4.327 1.00 0.00 C ATOM 290 CD GLU A 18 -16.216 -2.132 5.288 1.00 0.00 C ATOM 291 OE1 GLU A 18 -16.066 -1.815 6.485 1.00 0.00 O ATOM 292 OE2 GLU A 18 -17.264 -2.643 4.839 1.00 0.00 O ATOM 0 H GLU A 18 -13.939 -1.075 2.378 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.268 0.146 4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.921 -0.991 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.568 0.156 4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -15.469 -1.572 3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.529 -2.815 4.162 1.00 0.00 H new ATOM 299 N GLU A 19 -12.065 -3.137 4.133 1.00 0.00 N ATOM 300 CA GLU A 19 -11.271 -4.282 4.562 1.00 0.00 C ATOM 301 C GLU A 19 -9.938 -4.330 3.821 1.00 0.00 C ATOM 302 O GLU A 19 -8.939 -4.819 4.348 1.00 0.00 O ATOM 303 CB GLU A 19 -12.044 -5.581 4.330 1.00 0.00 C ATOM 304 CG GLU A 19 -11.661 -6.698 5.289 1.00 0.00 C ATOM 305 CD GLU A 19 -11.867 -8.075 4.691 1.00 0.00 C ATOM 306 OE1 GLU A 19 -10.930 -8.587 4.043 1.00 0.00 O ATOM 307 OE2 GLU A 19 -12.965 -8.643 4.872 1.00 0.00 O ATOM 0 H GLU A 19 -12.774 -3.353 3.432 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.069 -4.173 5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.111 -5.381 4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.874 -5.917 3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.616 -6.583 5.576 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.253 -6.609 6.200 1.00 0.00 H new ATOM 314 N MET A 20 -9.932 -3.822 2.594 1.00 0.00 N ATOM 315 CA MET A 20 -8.725 -3.806 1.776 1.00 0.00 C ATOM 316 C MET A 20 -7.675 -2.875 2.372 1.00 0.00 C ATOM 317 O MET A 20 -6.495 -3.219 2.444 1.00 0.00 O ATOM 318 CB MET A 20 -9.061 -3.372 0.348 1.00 0.00 C ATOM 319 CG MET A 20 -9.883 -4.396 -0.422 1.00 0.00 C ATOM 320 SD MET A 20 -8.914 -5.278 -1.661 1.00 0.00 S ATOM 321 CE MET A 20 -7.526 -5.834 -0.674 1.00 0.00 C ATOM 0 H MET A 20 -10.751 -3.415 2.143 1.00 0.00 H new ATOM 0 HA MET A 20 -8.315 -4.816 1.755 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.609 -2.430 0.383 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.134 -3.182 -0.193 1.00 0.00 H new ATOM 0 HG2 MET A 20 -10.309 -5.114 0.278 1.00 0.00 H new ATOM 0 HG3 MET A 20 -10.718 -3.893 -0.910 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.910 -6.513 -1.263 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.929 -4.975 -0.369 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.894 -6.353 0.211 1.00 0.00 H new ATOM 331 N VAL A 21 -8.110 -1.693 2.799 1.00 0.00 N ATOM 332 CA VAL A 21 -7.202 -0.716 3.387 1.00 0.00 C ATOM 333 C VAL A 21 -6.689 -1.187 4.743 1.00 0.00 C ATOM 334 O VAL A 21 -5.500 -1.079 5.040 1.00 0.00 O ATOM 335 CB VAL A 21 -7.875 0.662 3.545 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.503 1.101 2.234 1.00 0.00 C ATOM 337 CG2 VAL A 21 -8.916 0.639 4.656 1.00 0.00 C ATOM 0 H VAL A 21 -9.083 -1.390 2.749 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.360 -0.617 2.702 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.106 1.384 3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.973 2.076 2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.732 1.170 1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.255 0.373 1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.375 1.624 4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.683 -0.099 4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.436 0.375 5.599 1.00 0.00 H new ATOM 347 N LYS A 22 -7.593 -1.708 5.564 1.00 0.00 N ATOM 348 CA LYS A 22 -7.227 -2.193 6.888 1.00 0.00 C ATOM 349 C LYS A 22 -6.197 -3.314 6.786 1.00 0.00 C ATOM 350 O LYS A 22 -5.212 -3.341 7.526 1.00 0.00 O ATOM 351 CB LYS A 22 -8.465 -2.684 7.637 1.00 0.00 C ATOM 352 CG LYS A 22 -9.538 -1.622 7.805 1.00 0.00 C ATOM 353 CD LYS A 22 -9.373 -0.864 9.112 1.00 0.00 C ATOM 354 CE LYS A 22 -8.672 0.468 8.902 1.00 0.00 C ATOM 355 NZ LYS A 22 -9.633 1.604 8.885 1.00 0.00 N ATOM 0 H LYS A 22 -8.583 -1.805 5.336 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.785 -1.366 7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.889 -3.534 7.103 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.165 -3.043 8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.493 -0.923 6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.522 -2.090 7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.352 -0.694 9.561 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.801 -1.470 9.815 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.941 0.623 9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.121 0.444 7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.116 2.494 8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.315 1.470 8.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.141 1.643 9.792 1.00 0.00 H new ATOM 369 N LYS A 23 -6.433 -4.239 5.860 1.00 0.00 N ATOM 370 CA LYS A 23 -5.528 -5.364 5.652 1.00 0.00 C ATOM 371 C LYS A 23 -4.115 -4.872 5.357 1.00 0.00 C ATOM 372 O LYS A 23 -3.133 -5.537 5.690 1.00 0.00 O ATOM 373 CB LYS A 23 -6.030 -6.244 4.505 1.00 0.00 C ATOM 374 CG LYS A 23 -6.559 -7.594 4.961 1.00 0.00 C ATOM 375 CD LYS A 23 -7.741 -7.438 5.905 1.00 0.00 C ATOM 376 CE LYS A 23 -8.021 -8.725 6.662 1.00 0.00 C ATOM 377 NZ LYS A 23 -8.889 -8.493 7.851 1.00 0.00 N ATOM 0 H LYS A 23 -7.244 -4.231 5.242 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.503 -5.957 6.566 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.820 -5.715 3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.217 -6.402 3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.860 -8.180 4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.764 -8.148 5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.539 -6.634 6.613 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.626 -7.148 5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.502 -9.441 5.995 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.079 -9.170 6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.056 -9.395 8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.419 -7.830 8.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.798 -8.092 7.544 1.00 0.00 H new ATOM 391 N CYS A 24 -4.019 -3.701 4.733 1.00 0.00 N ATOM 392 CA CYS A 24 -2.725 -3.121 4.399 1.00 0.00 C ATOM 393 C CYS A 24 -1.995 -2.670 5.659 1.00 0.00 C ATOM 394 O CYS A 24 -0.767 -2.694 5.716 1.00 0.00 O ATOM 395 CB CYS A 24 -2.900 -1.941 3.438 1.00 0.00 C ATOM 396 SG CYS A 24 -1.398 -0.966 3.170 1.00 0.00 S ATOM 0 H CYS A 24 -4.821 -3.138 4.450 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.125 -3.887 3.908 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.249 -2.319 2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.680 -1.285 3.825 1.00 0.00 H new ATOM 0 HG CYS A 24 -1.124 -0.932 1.900 1.00 0.00 H new ATOM 402 N LEU A 25 -2.756 -2.258 6.667 1.00 0.00 N ATOM 403 CA LEU A 25 -2.169 -1.808 7.921 1.00 0.00 C ATOM 404 C LEU A 25 -1.432 -2.951 8.608 1.00 0.00 C ATOM 405 O LEU A 25 -0.327 -2.773 9.119 1.00 0.00 O ATOM 406 CB LEU A 25 -3.248 -1.246 8.847 1.00 0.00 C ATOM 407 CG LEU A 25 -2.746 -0.228 9.872 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.660 0.986 9.917 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.635 -0.868 11.247 1.00 0.00 C ATOM 0 H LEU A 25 -3.775 -2.227 6.640 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.454 -1.017 7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.021 -0.777 8.238 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.719 -2.074 9.378 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.754 0.105 9.567 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.284 1.697 10.653 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.686 1.459 8.935 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.666 0.674 10.196 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.276 -0.130 11.964 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.614 -1.231 11.559 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.935 -1.702 11.205 1.00 0.00 H new ATOM 421 N GLY A 26 -2.050 -4.128 8.611 1.00 0.00 N ATOM 422 CA GLY A 26 -1.434 -5.286 9.234 1.00 0.00 C ATOM 423 C GLY A 26 -0.351 -5.902 8.368 1.00 0.00 C ATOM 424 O GLY A 26 0.721 -6.256 8.858 1.00 0.00 O ATOM 0 H GLY A 26 -2.965 -4.301 8.194 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.006 -4.994 10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.199 -6.034 9.441 1.00 0.00 H new ATOM 428 N GLU A 27 -0.632 -6.031 7.075 1.00 0.00 N ATOM 429 CA GLU A 27 0.325 -6.609 6.138 1.00 0.00 C ATOM 430 C GLU A 27 1.612 -5.791 6.103 1.00 0.00 C ATOM 431 O GLU A 27 2.712 -6.338 6.214 1.00 0.00 O ATOM 432 CB GLU A 27 -0.284 -6.687 4.738 1.00 0.00 C ATOM 433 CG GLU A 27 -1.036 -7.983 4.475 1.00 0.00 C ATOM 434 CD GLU A 27 -0.108 -9.155 4.227 1.00 0.00 C ATOM 435 OE1 GLU A 27 0.378 -9.746 5.215 1.00 0.00 O ATOM 436 OE2 GLU A 27 0.134 -9.482 3.046 1.00 0.00 O ATOM 0 H GLU A 27 -1.515 -5.743 6.652 1.00 0.00 H new ATOM 0 HA GLU A 27 0.566 -7.617 6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.964 -5.847 4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.510 -6.580 3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.677 -8.206 5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.688 -7.852 3.612 1.00 0.00 H new ATOM 443 N LEU A 28 1.473 -4.478 5.947 1.00 0.00 N ATOM 444 CA LEU A 28 2.629 -3.591 5.898 1.00 0.00 C ATOM 445 C LEU A 28 3.436 -3.687 7.187 1.00 0.00 C ATOM 446 O LEU A 28 4.654 -3.503 7.184 1.00 0.00 O ATOM 447 CB LEU A 28 2.194 -2.144 5.657 1.00 0.00 C ATOM 448 CG LEU A 28 1.989 -1.762 4.187 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.749 -0.267 4.054 1.00 0.00 C ATOM 450 CD2 LEU A 28 3.189 -2.183 3.350 1.00 0.00 C ATOM 0 H LEU A 28 0.574 -4.006 5.853 1.00 0.00 H new ATOM 0 HA LEU A 28 3.259 -3.907 5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.263 -1.967 6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.943 -1.479 6.088 1.00 0.00 H new ATOM 0 HG LEU A 28 1.110 -2.289 3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.606 -0.014 3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.859 0.010 4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.610 0.276 4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.023 -1.903 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.085 -1.685 3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.319 -3.263 3.418 1.00 0.00 H new ATOM 462 N THR A 29 2.755 -3.984 8.290 1.00 0.00 N ATOM 463 CA THR A 29 3.423 -4.113 9.580 1.00 0.00 C ATOM 464 C THR A 29 4.466 -5.221 9.521 1.00 0.00 C ATOM 465 O THR A 29 5.543 -5.106 10.107 1.00 0.00 O ATOM 466 CB THR A 29 2.407 -4.407 10.686 1.00 0.00 C ATOM 467 OG1 THR A 29 1.426 -3.388 10.749 1.00 0.00 O ATOM 468 CG2 THR A 29 3.036 -4.525 12.058 1.00 0.00 C ATOM 0 H THR A 29 1.747 -4.139 8.316 1.00 0.00 H new ATOM 0 HA THR A 29 3.919 -3.169 9.808 1.00 0.00 H new ATOM 0 HB THR A 29 1.962 -5.367 10.424 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.693 -3.602 10.135 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.262 -4.734 12.796 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.764 -5.336 12.056 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.536 -3.590 12.311 1.00 0.00 H new ATOM 476 N GLU A 30 4.143 -6.290 8.799 1.00 0.00 N ATOM 477 CA GLU A 30 5.055 -7.420 8.651 1.00 0.00 C ATOM 478 C GLU A 30 6.301 -7.005 7.875 1.00 0.00 C ATOM 479 O GLU A 30 7.418 -7.088 8.385 1.00 0.00 O ATOM 480 CB GLU A 30 4.355 -8.577 7.939 1.00 0.00 C ATOM 481 CG GLU A 30 3.037 -8.980 8.582 1.00 0.00 C ATOM 482 CD GLU A 30 3.207 -9.445 10.014 1.00 0.00 C ATOM 483 OE1 GLU A 30 4.267 -10.025 10.329 1.00 0.00 O ATOM 484 OE2 GLU A 30 2.278 -9.230 10.822 1.00 0.00 O ATOM 0 H GLU A 30 3.256 -6.398 8.307 1.00 0.00 H new ATOM 0 HA GLU A 30 5.358 -7.749 9.645 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.173 -8.297 6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.021 -9.440 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.351 -8.133 8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.580 -9.778 7.996 1.00 0.00 H new ATOM 491 N VAL A 31 6.102 -6.551 6.639 1.00 0.00 N ATOM 492 CA VAL A 31 7.212 -6.116 5.793 1.00 0.00 C ATOM 493 C VAL A 31 8.107 -5.128 6.537 1.00 0.00 C ATOM 494 O VAL A 31 9.329 -5.156 6.400 1.00 0.00 O ATOM 495 CB VAL A 31 6.707 -5.465 4.490 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.673 -4.401 4.801 1.00 0.00 C ATOM 497 CG2 VAL A 31 7.859 -4.879 3.683 1.00 0.00 C ATOM 0 H VAL A 31 5.184 -6.475 6.201 1.00 0.00 H new ATOM 0 HA VAL A 31 7.789 -7.005 5.539 1.00 0.00 H new ATOM 0 HB VAL A 31 6.239 -6.240 3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.325 -3.949 3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.830 -4.854 5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.120 -3.633 5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.471 -4.427 2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.369 -4.119 4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.562 -5.671 3.425 1.00 0.00 H new ATOM 507 N CYS A 32 7.486 -4.259 7.327 1.00 0.00 N ATOM 508 CA CYS A 32 8.223 -3.266 8.096 1.00 0.00 C ATOM 509 C CYS A 32 9.193 -3.945 9.059 1.00 0.00 C ATOM 510 O CYS A 32 10.379 -3.621 9.095 1.00 0.00 O ATOM 511 CB CYS A 32 7.256 -2.371 8.871 1.00 0.00 C ATOM 512 SG CYS A 32 6.483 -1.079 7.870 1.00 0.00 S ATOM 0 H CYS A 32 6.474 -4.223 7.451 1.00 0.00 H new ATOM 0 HA CYS A 32 8.795 -2.650 7.402 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.475 -2.992 9.309 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.793 -1.904 9.697 1.00 0.00 H new ATOM 0 HG CYS A 32 5.469 -1.577 7.227 1.00 0.00 H new ATOM 518 N LYS A 33 8.677 -4.893 9.838 1.00 0.00 N ATOM 519 CA LYS A 33 9.498 -5.622 10.800 1.00 0.00 C ATOM 520 C LYS A 33 10.612 -6.384 10.093 1.00 0.00 C ATOM 521 O LYS A 33 11.782 -6.277 10.462 1.00 0.00 O ATOM 522 CB LYS A 33 8.637 -6.595 11.608 1.00 0.00 C ATOM 523 CG LYS A 33 7.339 -5.987 12.116 1.00 0.00 C ATOM 524 CD LYS A 33 7.142 -6.250 13.600 1.00 0.00 C ATOM 525 CE LYS A 33 6.387 -5.114 14.273 1.00 0.00 C ATOM 526 NZ LYS A 33 6.925 -4.817 15.630 1.00 0.00 N ATOM 0 H LYS A 33 7.696 -5.173 9.822 1.00 0.00 H new ATOM 0 HA LYS A 33 9.947 -4.896 11.478 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.404 -7.461 10.988 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.215 -6.958 12.458 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.344 -4.912 11.934 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.499 -6.401 11.558 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.594 -7.183 13.736 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.112 -6.378 14.080 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.450 -4.219 13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.331 -5.375 14.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.005 -3.788 15.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.282 -5.203 16.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.864 -5.253 15.734 1.00 0.00 H new ATOM 540 N SER A 34 10.242 -7.154 9.073 1.00 0.00 N ATOM 541 CA SER A 34 11.210 -7.936 8.311 1.00 0.00 C ATOM 542 C SER A 34 12.348 -7.051 7.808 1.00 0.00 C ATOM 543 O SER A 34 13.475 -7.513 7.631 1.00 0.00 O ATOM 544 CB SER A 34 10.525 -8.625 7.130 1.00 0.00 C ATOM 545 OG SER A 34 9.469 -9.462 7.570 1.00 0.00 O ATOM 0 H SER A 34 9.278 -7.253 8.755 1.00 0.00 H new ATOM 0 HA SER A 34 11.628 -8.695 8.972 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.136 -7.874 6.443 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.255 -9.216 6.576 1.00 0.00 H new ATOM 0 HG SER A 34 8.695 -8.912 7.813 1.00 0.00 H new ATOM 551 N LEU A 35 12.041 -5.779 7.579 1.00 0.00 N ATOM 552 CA LEU A 35 13.033 -4.825 7.099 1.00 0.00 C ATOM 553 C LEU A 35 13.934 -4.356 8.238 1.00 0.00 C ATOM 554 O LEU A 35 15.066 -3.927 8.011 1.00 0.00 O ATOM 555 CB LEU A 35 12.342 -3.623 6.453 1.00 0.00 C ATOM 556 CG LEU A 35 11.775 -3.876 5.055 1.00 0.00 C ATOM 557 CD1 LEU A 35 10.967 -2.676 4.581 1.00 0.00 C ATOM 558 CD2 LEU A 35 12.898 -4.190 4.075 1.00 0.00 C ATOM 0 H LEU A 35 11.111 -5.384 7.719 1.00 0.00 H new ATOM 0 HA LEU A 35 13.651 -5.325 6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.531 -3.297 7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.055 -2.801 6.396 1.00 0.00 H new ATOM 0 HG LEU A 35 11.109 -4.738 5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.572 -2.874 3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.142 -2.498 5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.609 -1.795 4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.478 -4.368 3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.588 -3.348 4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.433 -5.080 4.407 1.00 0.00 H new ATOM 570 N GLY A 36 13.426 -4.438 9.465 1.00 0.00 N ATOM 571 CA GLY A 36 14.199 -4.013 10.618 1.00 0.00 C ATOM 572 C GLY A 36 15.193 -5.062 11.076 1.00 0.00 C ATOM 573 O GLY A 36 16.221 -4.733 11.668 1.00 0.00 O ATOM 0 H GLY A 36 12.494 -4.791 9.681 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.733 -3.095 10.374 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.521 -3.779 11.438 1.00 0.00 H new ATOM 577 N LYS A 37 14.887 -6.327 10.808 1.00 0.00 N ATOM 578 CA LYS A 37 15.766 -7.423 11.203 1.00 0.00 C ATOM 579 C LYS A 37 16.897 -7.611 10.196 1.00 0.00 C ATOM 580 O LYS A 37 18.004 -8.009 10.558 1.00 0.00 O ATOM 581 CB LYS A 37 14.967 -8.722 11.335 1.00 0.00 C ATOM 582 CG LYS A 37 14.155 -9.068 10.099 1.00 0.00 C ATOM 583 CD LYS A 37 14.106 -10.571 9.867 1.00 0.00 C ATOM 584 CE LYS A 37 13.123 -11.247 10.809 1.00 0.00 C ATOM 585 NZ LYS A 37 13.192 -12.732 10.711 1.00 0.00 N ATOM 0 H LYS A 37 14.040 -6.619 10.320 1.00 0.00 H new ATOM 0 HA LYS A 37 16.204 -7.170 12.169 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.654 -9.541 11.548 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.295 -8.639 12.189 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.141 -8.682 10.209 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.590 -8.578 9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.820 -10.772 8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.100 -10.995 10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.333 -10.941 11.834 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.111 -10.914 10.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.507 -13.156 11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.967 -13.027 9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.151 -13.052 10.956 1.00 0.00 H new ATOM 599 N VAL A 38 16.612 -7.321 8.930 1.00 0.00 N ATOM 600 CA VAL A 38 17.607 -7.460 7.874 1.00 0.00 C ATOM 601 C VAL A 38 18.569 -6.275 7.860 1.00 0.00 C ATOM 602 O VAL A 38 19.752 -6.428 7.556 1.00 0.00 O ATOM 603 CB VAL A 38 16.946 -7.586 6.491 1.00 0.00 C ATOM 604 CG1 VAL A 38 16.130 -8.868 6.403 1.00 0.00 C ATOM 605 CG2 VAL A 38 16.082 -6.373 6.207 1.00 0.00 C ATOM 0 H VAL A 38 15.702 -6.989 8.612 1.00 0.00 H new ATOM 0 HA VAL A 38 18.164 -8.372 8.086 1.00 0.00 H new ATOM 0 HB VAL A 38 17.729 -7.632 5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 38 15.670 -8.940 5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 38 16.783 -9.726 6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.352 -8.857 7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 38 15.621 -6.477 5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.304 -6.294 6.967 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.699 -5.475 6.225 1.00 0.00 H new ATOM 615 N PHE A 39 18.052 -5.095 8.189 1.00 0.00 N ATOM 616 CA PHE A 39 18.867 -3.885 8.213 1.00 0.00 C ATOM 617 C PHE A 39 19.376 -3.596 9.621 1.00 0.00 C ATOM 618 O PHE A 39 20.424 -2.974 9.798 1.00 0.00 O ATOM 619 CB PHE A 39 18.061 -2.692 7.696 1.00 0.00 C ATOM 620 CG PHE A 39 18.001 -2.613 6.198 1.00 0.00 C ATOM 621 CD1 PHE A 39 19.108 -2.210 5.468 1.00 0.00 C ATOM 622 CD2 PHE A 39 16.840 -2.943 5.518 1.00 0.00 C ATOM 623 CE1 PHE A 39 19.057 -2.135 4.089 1.00 0.00 C ATOM 624 CE2 PHE A 39 16.783 -2.872 4.139 1.00 0.00 C ATOM 625 CZ PHE A 39 17.893 -2.467 3.423 1.00 0.00 C ATOM 0 H PHE A 39 17.074 -4.951 8.442 1.00 0.00 H new ATOM 0 HA PHE A 39 19.727 -4.045 7.562 1.00 0.00 H new ATOM 0 HB2 PHE A 39 17.046 -2.751 8.090 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.500 -1.772 8.083 1.00 0.00 H new ATOM 0 HD1 PHE A 39 20.021 -1.951 5.983 1.00 0.00 H new ATOM 0 HD2 PHE A 39 15.969 -3.260 6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.926 -1.817 3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 39 15.872 -3.133 3.622 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.851 -2.410 2.345 1.00 0.00 H new ATOM 635 N GLY A 40 18.630 -4.052 10.624 1.00 0.00 N ATOM 636 CA GLY A 40 19.026 -3.832 12.002 1.00 0.00 C ATOM 637 C GLY A 40 18.389 -2.592 12.598 1.00 0.00 C ATOM 638 O GLY A 40 18.940 -1.985 13.516 1.00 0.00 O ATOM 0 H GLY A 40 17.759 -4.570 10.506 1.00 0.00 H new ATOM 0 HA2 GLY A 40 18.750 -4.701 12.599 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.111 -3.740 12.055 1.00 0.00 H new ATOM 642 N VAL A 41 17.226 -2.215 12.077 1.00 0.00 N ATOM 643 CA VAL A 41 16.517 -1.038 12.566 1.00 0.00 C ATOM 644 C VAL A 41 15.213 -1.430 13.255 1.00 0.00 C ATOM 645 O VAL A 41 14.673 -2.509 13.016 1.00 0.00 O ATOM 646 CB VAL A 41 16.206 -0.050 11.425 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.492 0.528 10.855 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.391 -0.729 10.336 1.00 0.00 C ATOM 0 H VAL A 41 16.755 -2.707 11.317 1.00 0.00 H new ATOM 0 HA VAL A 41 17.175 -0.551 13.286 1.00 0.00 H new ATOM 0 HB VAL A 41 15.614 0.770 11.831 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.253 1.223 10.050 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.034 1.054 11.641 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.112 -0.279 10.465 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.182 -0.015 9.540 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.954 -1.570 9.931 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.452 -1.090 10.756 1.00 0.00 H new ATOM 658 N HIS A 42 14.716 -0.544 14.113 1.00 0.00 N ATOM 659 CA HIS A 42 13.478 -0.795 14.841 1.00 0.00 C ATOM 660 C HIS A 42 12.274 -0.751 13.906 1.00 0.00 C ATOM 661 O HIS A 42 12.352 -0.221 12.799 1.00 0.00 O ATOM 662 CB HIS A 42 13.303 0.229 15.963 1.00 0.00 C ATOM 663 CG HIS A 42 12.481 -0.274 17.107 1.00 0.00 C ATOM 664 ND1 HIS A 42 11.281 0.294 17.480 1.00 0.00 N ATOM 665 CD2 HIS A 42 12.692 -1.299 17.968 1.00 0.00 C ATOM 666 CE1 HIS A 42 10.790 -0.360 18.518 1.00 0.00 C ATOM 667 NE2 HIS A 42 11.626 -1.330 18.833 1.00 0.00 N ATOM 0 H HIS A 42 15.152 0.354 14.321 1.00 0.00 H new ATOM 0 HA HIS A 42 13.541 -1.793 15.275 1.00 0.00 H new ATOM 0 HB2 HIS A 42 14.285 0.522 16.333 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.835 1.125 15.556 1.00 0.00 H new ATOM 0 HD2 HIS A 42 13.541 -1.967 17.973 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.861 -0.138 19.023 1.00 0.00 H new ATOM 0 HE2 HIS A 42 11.501 -1.996 19.596 1.00 0.00 H new ATOM 676 N TYR A 43 11.158 -1.311 14.364 1.00 0.00 N ATOM 677 CA TYR A 43 9.933 -1.335 13.573 1.00 0.00 C ATOM 678 C TYR A 43 9.450 0.084 13.280 1.00 0.00 C ATOM 679 O TYR A 43 9.114 0.413 12.142 1.00 0.00 O ATOM 680 CB TYR A 43 8.847 -2.128 14.312 1.00 0.00 C ATOM 681 CG TYR A 43 7.452 -1.932 13.754 1.00 0.00 C ATOM 682 CD1 TYR A 43 7.207 -2.029 12.391 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.383 -1.647 14.594 1.00 0.00 C ATOM 684 CE1 TYR A 43 5.935 -1.848 11.880 1.00 0.00 C ATOM 685 CE2 TYR A 43 5.108 -1.467 14.091 1.00 0.00 C ATOM 686 CZ TYR A 43 4.890 -1.567 12.734 1.00 0.00 C ATOM 687 OH TYR A 43 3.623 -1.386 12.228 1.00 0.00 O ATOM 0 H TYR A 43 11.077 -1.754 15.279 1.00 0.00 H new ATOM 0 HA TYR A 43 10.143 -1.825 12.622 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.097 -3.188 14.274 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.851 -1.837 15.363 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.023 -2.249 11.719 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.551 -1.565 15.658 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.761 -1.926 10.817 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.287 -1.249 14.758 1.00 0.00 H new ATOM 0 HH TYR A 43 3.002 -1.197 12.962 1.00 0.00 H new ATOM 697 N PHE A 44 9.415 0.917 14.314 1.00 0.00 N ATOM 698 CA PHE A 44 8.970 2.298 14.169 1.00 0.00 C ATOM 699 C PHE A 44 9.906 3.086 13.256 1.00 0.00 C ATOM 700 O PHE A 44 9.484 4.029 12.586 1.00 0.00 O ATOM 701 CB PHE A 44 8.887 2.975 15.538 1.00 0.00 C ATOM 702 CG PHE A 44 7.647 2.621 16.306 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.428 3.192 15.980 1.00 0.00 C ATOM 704 CD2 PHE A 44 7.700 1.716 17.355 1.00 0.00 C ATOM 705 CE1 PHE A 44 5.284 2.867 16.685 1.00 0.00 C ATOM 706 CE2 PHE A 44 6.561 1.387 18.063 1.00 0.00 C ATOM 707 CZ PHE A 44 5.351 1.965 17.728 1.00 0.00 C ATOM 0 H PHE A 44 9.690 0.660 15.262 1.00 0.00 H new ATOM 0 HA PHE A 44 7.979 2.285 13.714 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.761 2.696 16.126 1.00 0.00 H new ATOM 0 HB3 PHE A 44 8.925 4.056 15.403 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.370 3.899 15.166 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.643 1.263 17.622 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.339 3.318 16.420 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.616 0.679 18.877 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.459 1.711 18.282 1.00 0.00 H new ATOM 717 N ASN A 45 11.175 2.693 13.233 1.00 0.00 N ATOM 718 CA ASN A 45 12.166 3.367 12.400 1.00 0.00 C ATOM 719 C ASN A 45 11.785 3.289 10.925 1.00 0.00 C ATOM 720 O ASN A 45 12.107 4.185 10.144 1.00 0.00 O ATOM 721 CB ASN A 45 13.549 2.749 12.614 1.00 0.00 C ATOM 722 CG ASN A 45 14.331 3.446 13.711 1.00 0.00 C ATOM 723 OD1 ASN A 45 14.058 3.262 14.896 1.00 0.00 O ATOM 724 ND2 ASN A 45 15.309 4.252 13.319 1.00 0.00 N ATOM 0 H ASN A 45 11.541 1.914 13.780 1.00 0.00 H new ATOM 0 HA ASN A 45 12.194 4.416 12.693 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.438 1.694 12.865 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.113 2.797 11.683 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.869 4.749 14.012 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.501 4.375 12.325 1.00 0.00 H new ATOM 731 N ILE A 46 11.099 2.215 10.549 1.00 0.00 N ATOM 732 CA ILE A 46 10.676 2.026 9.165 1.00 0.00 C ATOM 733 C ILE A 46 9.628 3.059 8.766 1.00 0.00 C ATOM 734 O ILE A 46 9.884 3.924 7.928 1.00 0.00 O ATOM 735 CB ILE A 46 10.099 0.615 8.937 1.00 0.00 C ATOM 736 CG1 ILE A 46 11.051 -0.446 9.489 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.838 0.381 7.455 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.438 -0.384 8.887 1.00 0.00 C ATOM 0 H ILE A 46 10.824 1.463 11.181 1.00 0.00 H new ATOM 0 HA ILE A 46 11.564 2.151 8.545 1.00 0.00 H new ATOM 0 HB ILE A 46 9.151 0.537 9.470 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.127 -0.328 10.570 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.628 -1.434 9.305 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.431 -0.620 7.311 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.124 1.119 7.090 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.772 0.476 6.902 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.060 -1.165 9.325 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.374 -0.533 7.809 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.881 0.590 9.093 1.00 0.00 H new ATOM 750 N PHE A 47 8.449 2.964 9.373 1.00 0.00 N ATOM 751 CA PHE A 47 7.363 3.892 9.078 1.00 0.00 C ATOM 752 C PHE A 47 6.651 4.320 10.357 1.00 0.00 C ATOM 753 O PHE A 47 6.975 3.853 11.449 1.00 0.00 O ATOM 754 CB PHE A 47 6.359 3.250 8.116 1.00 0.00 C ATOM 755 CG PHE A 47 6.857 3.111 6.701 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.785 4.001 6.179 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.389 2.089 5.891 1.00 0.00 C ATOM 758 CE1 PHE A 47 8.234 3.870 4.878 1.00 0.00 C ATOM 759 CE2 PHE A 47 6.835 1.954 4.592 1.00 0.00 C ATOM 760 CZ PHE A 47 7.760 2.846 4.084 1.00 0.00 C ATOM 0 H PHE A 47 8.222 2.255 10.071 1.00 0.00 H new ATOM 0 HA PHE A 47 7.794 4.776 8.607 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.092 2.263 8.493 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.447 3.846 8.111 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.160 4.804 6.796 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.665 1.389 6.281 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.956 4.569 4.483 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.461 1.152 3.973 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.111 2.742 3.068 1.00 0.00 H new ATOM 770 N ASN A 48 5.677 5.214 10.211 1.00 0.00 N ATOM 771 CA ASN A 48 4.913 5.709 11.348 1.00 0.00 C ATOM 772 C ASN A 48 3.427 5.416 11.171 1.00 0.00 C ATOM 773 O ASN A 48 2.977 5.082 10.076 1.00 0.00 O ATOM 774 CB ASN A 48 5.132 7.215 11.520 1.00 0.00 C ATOM 775 CG ASN A 48 5.240 7.621 12.976 1.00 0.00 C ATOM 776 OD1 ASN A 48 5.942 6.983 13.760 1.00 0.00 O ATOM 777 ND2 ASN A 48 4.541 8.688 13.346 1.00 0.00 N ATOM 0 H ASN A 48 5.399 5.610 9.313 1.00 0.00 H new ATOM 0 HA ASN A 48 5.263 5.194 12.243 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.041 7.509 10.995 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.307 7.755 11.055 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.573 9.008 14.314 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.972 9.187 12.662 1.00 0.00 H new ATOM 784 N THR A 49 2.668 5.542 12.257 1.00 0.00 N ATOM 785 CA THR A 49 1.230 5.290 12.221 1.00 0.00 C ATOM 786 C THR A 49 0.565 6.061 11.087 1.00 0.00 C ATOM 787 O THR A 49 -0.389 5.582 10.473 1.00 0.00 O ATOM 788 CB THR A 49 0.593 5.675 13.557 1.00 0.00 C ATOM 789 OG1 THR A 49 1.513 5.506 14.621 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.642 4.865 13.887 1.00 0.00 C ATOM 0 H THR A 49 3.025 5.817 13.172 1.00 0.00 H new ATOM 0 HA THR A 49 1.079 4.225 12.045 1.00 0.00 H new ATOM 0 HB THR A 49 0.305 6.720 13.447 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.086 5.759 15.466 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.044 5.189 14.847 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.393 5.014 13.111 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.380 3.808 13.941 1.00 0.00 H new ATOM 798 N VAL A 50 1.076 7.258 10.813 1.00 0.00 N ATOM 799 CA VAL A 50 0.532 8.097 9.749 1.00 0.00 C ATOM 800 C VAL A 50 0.862 7.528 8.373 1.00 0.00 C ATOM 801 O VAL A 50 0.123 7.736 7.412 1.00 0.00 O ATOM 802 CB VAL A 50 1.071 9.534 9.837 1.00 0.00 C ATOM 803 CG1 VAL A 50 0.409 10.287 10.980 1.00 0.00 C ATOM 804 CG2 VAL A 50 2.579 9.523 9.999 1.00 0.00 C ATOM 0 H VAL A 50 1.865 7.669 11.312 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.550 8.112 9.883 1.00 0.00 H new ATOM 0 HB VAL A 50 0.830 10.052 8.909 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.805 11.302 11.025 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.668 10.324 10.816 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.615 9.776 11.920 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.946 10.548 10.060 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.843 8.988 10.911 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.033 9.025 9.142 1.00 0.00 H new ATOM 814 N THR A 51 1.979 6.813 8.287 1.00 0.00 N ATOM 815 CA THR A 51 2.410 6.217 7.026 1.00 0.00 C ATOM 816 C THR A 51 1.550 5.008 6.668 1.00 0.00 C ATOM 817 O THR A 51 0.979 4.943 5.580 1.00 0.00 O ATOM 818 CB THR A 51 3.880 5.804 7.116 1.00 0.00 C ATOM 819 OG1 THR A 51 4.704 6.932 7.358 1.00 0.00 O ATOM 820 CG2 THR A 51 4.392 5.123 5.864 1.00 0.00 C ATOM 0 H THR A 51 2.602 6.632 9.074 1.00 0.00 H new ATOM 0 HA THR A 51 2.293 6.964 6.240 1.00 0.00 H new ATOM 0 HB THR A 51 3.928 5.093 7.941 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.200 7.751 7.172 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.441 4.857 5.997 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.810 4.221 5.677 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.294 5.800 5.016 1.00 0.00 H new ATOM 828 N LEU A 52 1.465 4.052 7.588 1.00 0.00 N ATOM 829 CA LEU A 52 0.681 2.842 7.366 1.00 0.00 C ATOM 830 C LEU A 52 -0.765 3.180 7.012 1.00 0.00 C ATOM 831 O LEU A 52 -1.317 2.653 6.046 1.00 0.00 O ATOM 832 CB LEU A 52 0.718 1.950 8.608 1.00 0.00 C ATOM 833 CG LEU A 52 2.120 1.573 9.091 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.072 1.076 10.529 1.00 0.00 C ATOM 835 CD2 LEU A 52 2.730 0.517 8.181 1.00 0.00 C ATOM 0 H LEU A 52 1.930 4.092 8.495 1.00 0.00 H new ATOM 0 HA LEU A 52 1.123 2.306 6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.195 2.459 9.418 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.165 1.035 8.397 1.00 0.00 H new ATOM 0 HG LEU A 52 2.749 2.463 9.055 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.078 0.812 10.857 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.675 1.861 11.172 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.429 0.198 10.589 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.727 0.260 8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.102 -0.374 8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.798 0.907 7.166 1.00 0.00 H new ATOM 847 N LYS A 53 -1.374 4.060 7.801 1.00 0.00 N ATOM 848 CA LYS A 53 -2.756 4.464 7.569 1.00 0.00 C ATOM 849 C LYS A 53 -2.924 5.073 6.179 1.00 0.00 C ATOM 850 O LYS A 53 -3.951 4.883 5.528 1.00 0.00 O ATOM 851 CB LYS A 53 -3.204 5.465 8.635 1.00 0.00 C ATOM 852 CG LYS A 53 -2.470 6.793 8.573 1.00 0.00 C ATOM 853 CD LYS A 53 -3.020 7.782 9.589 1.00 0.00 C ATOM 854 CE LYS A 53 -2.797 7.297 11.013 1.00 0.00 C ATOM 855 NZ LYS A 53 -3.402 8.218 12.015 1.00 0.00 N ATOM 0 H LYS A 53 -0.933 4.506 8.605 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.381 3.573 7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.273 5.646 8.525 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.055 5.024 9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.408 6.632 8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.558 7.212 7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.539 8.751 9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.086 7.929 9.416 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.226 6.302 11.129 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.727 7.207 11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.228 7.852 12.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.974 9.161 11.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.427 8.285 11.851 1.00 0.00 H new ATOM 869 N LYS A 54 -1.910 5.808 5.731 1.00 0.00 N ATOM 870 CA LYS A 54 -1.951 6.445 4.420 1.00 0.00 C ATOM 871 C LYS A 54 -1.858 5.406 3.305 1.00 0.00 C ATOM 872 O LYS A 54 -2.766 5.286 2.481 1.00 0.00 O ATOM 873 CB LYS A 54 -0.821 7.470 4.290 1.00 0.00 C ATOM 874 CG LYS A 54 -1.313 8.905 4.177 1.00 0.00 C ATOM 875 CD LYS A 54 -2.181 9.292 5.364 1.00 0.00 C ATOM 876 CE LYS A 54 -3.168 10.392 5.002 1.00 0.00 C ATOM 877 NZ LYS A 54 -2.789 11.699 5.606 1.00 0.00 N ATOM 0 H LYS A 54 -1.052 5.977 6.256 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.906 6.962 4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.164 7.387 5.156 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.222 7.229 3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.459 9.580 4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.882 9.024 3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.725 8.416 5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.547 9.627 6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.217 10.494 3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.165 10.111 5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.486 12.422 5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.767 11.609 6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.848 11.980 5.263 1.00 0.00 H new ATOM 891 N LEU A 55 -0.763 4.651 3.287 1.00 0.00 N ATOM 892 CA LEU A 55 -0.567 3.618 2.272 1.00 0.00 C ATOM 893 C LEU A 55 -1.738 2.638 2.248 1.00 0.00 C ATOM 894 O LEU A 55 -1.987 1.982 1.237 1.00 0.00 O ATOM 895 CB LEU A 55 0.741 2.861 2.515 1.00 0.00 C ATOM 896 CG LEU A 55 1.983 3.482 1.863 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.885 4.129 2.900 1.00 0.00 C ATOM 898 CD2 LEU A 55 2.752 2.430 1.081 1.00 0.00 C ATOM 0 H LEU A 55 -0.001 4.734 3.960 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.513 4.115 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.909 2.793 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.627 1.842 2.146 1.00 0.00 H new ATOM 0 HG LEU A 55 1.647 4.259 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.756 4.560 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.337 4.915 3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.210 3.377 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.630 2.886 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.066 1.633 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.112 2.016 0.302 1.00 0.00 H new ATOM 910 N ALA A 56 -2.452 2.541 3.365 1.00 0.00 N ATOM 911 CA ALA A 56 -3.592 1.638 3.465 1.00 0.00 C ATOM 912 C ALA A 56 -4.867 2.297 2.948 1.00 0.00 C ATOM 913 O ALA A 56 -5.618 1.699 2.179 1.00 0.00 O ATOM 914 CB ALA A 56 -3.779 1.181 4.904 1.00 0.00 C ATOM 0 H ALA A 56 -2.261 3.076 4.212 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.387 0.768 2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.634 0.507 4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.882 0.660 5.240 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.955 2.048 5.541 1.00 0.00 H new ATOM 920 N GLU A 57 -5.107 3.532 3.376 1.00 0.00 N ATOM 921 CA GLU A 57 -6.296 4.269 2.956 1.00 0.00 C ATOM 922 C GLU A 57 -6.389 4.340 1.434 1.00 0.00 C ATOM 923 O GLU A 57 -7.483 4.406 0.872 1.00 0.00 O ATOM 924 CB GLU A 57 -6.279 5.682 3.544 1.00 0.00 C ATOM 925 CG GLU A 57 -6.517 5.719 5.045 1.00 0.00 C ATOM 926 CD GLU A 57 -7.830 6.381 5.414 1.00 0.00 C ATOM 927 OE1 GLU A 57 -8.286 7.259 4.652 1.00 0.00 O ATOM 928 OE2 GLU A 57 -8.402 6.022 6.465 1.00 0.00 O ATOM 0 H GLU A 57 -4.496 4.044 4.012 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.171 3.736 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.317 6.146 3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.042 6.282 3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.506 4.701 5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.698 6.254 5.525 1.00 0.00 H new ATOM 935 N SER A 58 -5.236 4.325 0.773 1.00 0.00 N ATOM 936 CA SER A 58 -5.189 4.387 -0.684 1.00 0.00 C ATOM 937 C SER A 58 -5.201 2.986 -1.287 1.00 0.00 C ATOM 938 O SER A 58 -5.942 2.711 -2.230 1.00 0.00 O ATOM 939 CB SER A 58 -3.943 5.144 -1.144 1.00 0.00 C ATOM 940 OG SER A 58 -4.223 5.948 -2.278 1.00 0.00 O ATOM 0 H SER A 58 -4.322 4.270 1.223 1.00 0.00 H new ATOM 0 HA SER A 58 -6.075 4.920 -1.030 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.574 5.771 -0.332 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.151 4.435 -1.384 1.00 0.00 H new ATOM 0 HG SER A 58 -3.410 6.423 -2.551 1.00 0.00 H new ATOM 946 N LEU A 59 -4.373 2.104 -0.736 1.00 0.00 N ATOM 947 CA LEU A 59 -4.285 0.730 -1.216 1.00 0.00 C ATOM 948 C LEU A 59 -3.768 0.688 -2.655 1.00 0.00 C ATOM 949 O LEU A 59 -4.379 0.081 -3.532 1.00 0.00 O ATOM 950 CB LEU A 59 -5.659 0.044 -1.117 1.00 0.00 C ATOM 951 CG LEU A 59 -5.799 -1.055 -0.045 1.00 0.00 C ATOM 952 CD1 LEU A 59 -5.853 -2.429 -0.694 1.00 0.00 C ATOM 953 CD2 LEU A 59 -4.669 -0.999 0.976 1.00 0.00 C ATOM 0 H LEU A 59 -3.752 2.317 0.045 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.577 0.190 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.410 0.809 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.894 -0.393 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.734 -0.874 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.952 -3.192 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.709 -2.480 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.937 -2.601 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.805 -1.790 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.714 -1.136 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.679 -0.031 1.477 1.00 0.00 H new ATOM 965 N SER A 60 -2.633 1.340 -2.883 1.00 0.00 N ATOM 966 CA SER A 60 -2.023 1.378 -4.208 1.00 0.00 C ATOM 967 C SER A 60 -0.509 1.224 -4.103 1.00 0.00 C ATOM 968 O SER A 60 0.125 1.829 -3.238 1.00 0.00 O ATOM 969 CB SER A 60 -2.370 2.690 -4.916 1.00 0.00 C ATOM 970 OG SER A 60 -2.398 2.518 -6.321 1.00 0.00 O ATOM 0 H SER A 60 -2.116 1.850 -2.167 1.00 0.00 H new ATOM 0 HA SER A 60 -2.419 0.548 -4.793 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.340 3.048 -4.571 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.637 3.453 -4.654 1.00 0.00 H new ATOM 0 HG SER A 60 -2.624 3.370 -6.750 1.00 0.00 H new ATOM 976 N SER A 61 0.067 0.410 -4.983 1.00 0.00 N ATOM 977 CA SER A 61 1.507 0.183 -4.973 1.00 0.00 C ATOM 978 C SER A 61 2.234 1.200 -5.845 1.00 0.00 C ATOM 979 O SER A 61 2.549 0.932 -7.005 1.00 0.00 O ATOM 980 CB SER A 61 1.822 -1.234 -5.455 1.00 0.00 C ATOM 981 OG SER A 61 1.623 -1.355 -6.852 1.00 0.00 O ATOM 0 H SER A 61 -0.438 -0.100 -5.707 1.00 0.00 H new ATOM 0 HA SER A 61 1.857 0.302 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.854 -1.484 -5.209 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.187 -1.949 -4.931 1.00 0.00 H new ATOM 0 HG SER A 61 2.172 -0.691 -7.319 1.00 0.00 H new ATOM 987 N ASP A 62 2.510 2.366 -5.272 1.00 0.00 N ATOM 988 CA ASP A 62 3.214 3.424 -5.985 1.00 0.00 C ATOM 989 C ASP A 62 4.433 3.880 -5.188 1.00 0.00 C ATOM 990 O ASP A 62 4.365 4.000 -3.967 1.00 0.00 O ATOM 991 CB ASP A 62 2.281 4.607 -6.243 1.00 0.00 C ATOM 992 CG ASP A 62 1.278 4.322 -7.344 1.00 0.00 C ATOM 993 OD1 ASP A 62 1.545 3.427 -8.173 1.00 0.00 O ATOM 994 OD2 ASP A 62 0.227 4.996 -7.379 1.00 0.00 O ATOM 0 H ASP A 62 2.256 2.602 -4.313 1.00 0.00 H new ATOM 0 HA ASP A 62 3.549 3.029 -6.944 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.748 4.853 -5.325 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.873 5.482 -6.512 1.00 0.00 H new ATOM 999 N PRO A 63 5.568 4.140 -5.862 1.00 0.00 N ATOM 1000 CA PRO A 63 6.795 4.578 -5.198 1.00 0.00 C ATOM 1001 C PRO A 63 6.745 6.048 -4.792 1.00 0.00 C ATOM 1002 O PRO A 63 7.069 6.401 -3.659 1.00 0.00 O ATOM 1003 CB PRO A 63 7.891 4.354 -6.254 1.00 0.00 C ATOM 1004 CG PRO A 63 7.219 3.714 -7.429 1.00 0.00 C ATOM 1005 CD PRO A 63 5.754 4.022 -7.309 1.00 0.00 C ATOM 0 HA PRO A 63 6.964 4.029 -4.272 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.355 5.298 -6.539 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.683 3.715 -5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.621 4.104 -8.364 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.389 2.637 -7.433 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.490 4.944 -7.828 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.137 3.230 -7.733 1.00 0.00 H new ATOM 1013 N GLU A 64 6.344 6.902 -5.730 1.00 0.00 N ATOM 1014 CA GLU A 64 6.262 8.336 -5.475 1.00 0.00 C ATOM 1015 C GLU A 64 5.133 8.665 -4.500 1.00 0.00 C ATOM 1016 O GLU A 64 5.268 9.556 -3.662 1.00 0.00 O ATOM 1017 CB GLU A 64 6.049 9.096 -6.785 1.00 0.00 C ATOM 1018 CG GLU A 64 4.971 8.493 -7.672 1.00 0.00 C ATOM 1019 CD GLU A 64 4.493 9.455 -8.743 1.00 0.00 C ATOM 1020 OE1 GLU A 64 4.624 10.681 -8.542 1.00 0.00 O ATOM 1021 OE2 GLU A 64 3.987 8.982 -9.782 1.00 0.00 O ATOM 0 H GLU A 64 6.071 6.625 -6.673 1.00 0.00 H new ATOM 0 HA GLU A 64 7.205 8.646 -5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.784 10.129 -6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.989 9.122 -7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.358 7.591 -8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.124 8.192 -7.055 1.00 0.00 H new ATOM 1028 N VAL A 65 4.021 7.947 -4.619 1.00 0.00 N ATOM 1029 CA VAL A 65 2.870 8.172 -3.753 1.00 0.00 C ATOM 1030 C VAL A 65 3.256 8.107 -2.276 1.00 0.00 C ATOM 1031 O VAL A 65 2.839 8.950 -1.482 1.00 0.00 O ATOM 1032 CB VAL A 65 1.744 7.156 -4.037 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.582 7.346 -3.073 1.00 0.00 C ATOM 1034 CG2 VAL A 65 1.271 7.280 -5.477 1.00 0.00 C ATOM 0 H VAL A 65 3.893 7.205 -5.307 1.00 0.00 H new ATOM 0 HA VAL A 65 2.504 9.175 -3.974 1.00 0.00 H new ATOM 0 HB VAL A 65 2.144 6.153 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.198 6.617 -3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.931 7.204 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.179 8.353 -3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.477 6.557 -5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.893 8.287 -5.650 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.104 7.085 -6.152 1.00 0.00 H new ATOM 1044 N LEU A 66 4.052 7.107 -1.911 1.00 0.00 N ATOM 1045 CA LEU A 66 4.482 6.954 -0.525 1.00 0.00 C ATOM 1046 C LEU A 66 5.319 8.151 -0.091 1.00 0.00 C ATOM 1047 O LEU A 66 5.266 8.574 1.064 1.00 0.00 O ATOM 1048 CB LEU A 66 5.287 5.664 -0.338 1.00 0.00 C ATOM 1049 CG LEU A 66 4.852 4.473 -1.198 1.00 0.00 C ATOM 1050 CD1 LEU A 66 5.426 3.173 -0.648 1.00 0.00 C ATOM 1051 CD2 LEU A 66 3.335 4.385 -1.280 1.00 0.00 C ATOM 0 H LEU A 66 4.410 6.396 -2.549 1.00 0.00 H new ATOM 0 HA LEU A 66 3.589 6.899 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.334 5.878 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.229 5.371 0.710 1.00 0.00 H new ATOM 0 HG LEU A 66 5.242 4.628 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.105 2.340 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.515 3.228 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.070 3.020 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.053 3.531 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.923 4.262 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.941 5.299 -1.724 1.00 0.00 H new ATOM 1063 N LEU A 67 6.094 8.693 -1.027 1.00 0.00 N ATOM 1064 CA LEU A 67 6.949 9.843 -0.750 1.00 0.00 C ATOM 1065 C LEU A 67 6.144 10.999 -0.166 1.00 0.00 C ATOM 1066 O LEU A 67 6.594 11.678 0.757 1.00 0.00 O ATOM 1067 CB LEU A 67 7.657 10.296 -2.028 1.00 0.00 C ATOM 1068 CG LEU A 67 9.032 10.930 -1.818 1.00 0.00 C ATOM 1069 CD1 LEU A 67 8.944 12.078 -0.824 1.00 0.00 C ATOM 1070 CD2 LEU A 67 10.031 9.885 -1.341 1.00 0.00 C ATOM 0 H LEU A 67 6.147 8.352 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 67 7.694 9.538 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.768 9.436 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.018 11.013 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 67 9.378 11.328 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.932 12.517 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.259 12.836 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.577 11.704 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.005 10.352 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.689 9.459 -0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.115 9.095 -2.087 1.00 0.00 H new ATOM 1082 N GLN A 68 4.951 11.219 -0.708 1.00 0.00 N ATOM 1083 CA GLN A 68 4.084 12.292 -0.238 1.00 0.00 C ATOM 1084 C GLN A 68 3.505 11.968 1.137 1.00 0.00 C ATOM 1085 O GLN A 68 3.036 12.857 1.849 1.00 0.00 O ATOM 1086 CB GLN A 68 2.950 12.535 -1.235 1.00 0.00 C ATOM 1087 CG GLN A 68 3.406 13.193 -2.528 1.00 0.00 C ATOM 1088 CD GLN A 68 3.554 14.695 -2.397 1.00 0.00 C ATOM 1089 OE1 GLN A 68 2.568 15.416 -2.239 1.00 0.00 O ATOM 1090 NE2 GLN A 68 4.790 15.177 -2.463 1.00 0.00 N ATOM 0 H GLN A 68 4.563 10.668 -1.473 1.00 0.00 H new ATOM 0 HA GLN A 68 4.686 13.197 -0.153 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.474 11.583 -1.470 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.193 13.163 -0.765 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.360 12.763 -2.833 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.688 12.970 -3.318 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.578 14.543 -2.595 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.951 16.181 -2.382 1.00 0.00 H new ATOM 1099 N ILE A 69 3.542 10.691 1.507 1.00 0.00 N ATOM 1100 CA ILE A 69 3.023 10.252 2.797 1.00 0.00 C ATOM 1101 C ILE A 69 3.891 10.763 3.941 1.00 0.00 C ATOM 1102 O ILE A 69 5.120 10.714 3.872 1.00 0.00 O ATOM 1103 CB ILE A 69 2.942 8.714 2.871 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.199 8.163 1.653 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.259 8.277 4.157 1.00 0.00 C ATOM 1106 CD1 ILE A 69 0.751 8.595 1.579 1.00 0.00 C ATOM 0 H ILE A 69 3.926 9.942 0.931 1.00 0.00 H new ATOM 0 HA ILE A 69 2.020 10.667 2.896 1.00 0.00 H new ATOM 0 HB ILE A 69 3.955 8.312 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.713 8.487 0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.244 7.074 1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.211 7.189 4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.827 8.643 5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.249 8.686 4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.288 8.166 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.222 8.248 2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.698 9.682 1.527 1.00 0.00 H new ATOM 1118 N ASP A 70 3.245 11.259 4.991 1.00 0.00 N ATOM 1119 CA ASP A 70 3.956 11.784 6.151 1.00 0.00 C ATOM 1120 C ASP A 70 4.804 10.698 6.811 1.00 0.00 C ATOM 1121 O ASP A 70 4.309 9.618 7.128 1.00 0.00 O ATOM 1122 CB ASP A 70 2.963 12.360 7.163 1.00 0.00 C ATOM 1123 CG ASP A 70 3.362 13.743 7.641 1.00 0.00 C ATOM 1124 OD1 ASP A 70 4.305 13.841 8.455 1.00 0.00 O ATOM 1125 OD2 ASP A 70 2.733 14.728 7.199 1.00 0.00 O ATOM 0 H ASP A 70 2.229 11.308 5.062 1.00 0.00 H new ATOM 0 HA ASP A 70 4.621 12.578 5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.973 12.407 6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.891 11.689 8.019 1.00 0.00 H new ATOM 1130 N GLY A 71 6.083 10.998 7.017 1.00 0.00 N ATOM 1131 CA GLY A 71 6.979 10.042 7.641 1.00 0.00 C ATOM 1132 C GLY A 71 7.855 9.321 6.635 1.00 0.00 C ATOM 1133 O GLY A 71 8.953 8.874 6.966 1.00 0.00 O ATOM 0 H GLY A 71 6.515 11.887 6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.611 10.560 8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.393 9.310 8.197 1.00 0.00 H new ATOM 1137 N VAL A 72 7.369 9.205 5.403 1.00 0.00 N ATOM 1138 CA VAL A 72 8.115 8.531 4.347 1.00 0.00 C ATOM 1139 C VAL A 72 9.006 9.511 3.593 1.00 0.00 C ATOM 1140 O VAL A 72 8.604 10.639 3.307 1.00 0.00 O ATOM 1141 CB VAL A 72 7.171 7.840 3.346 1.00 0.00 C ATOM 1142 CG1 VAL A 72 7.951 6.929 2.411 1.00 0.00 C ATOM 1143 CG2 VAL A 72 6.090 7.059 4.079 1.00 0.00 C ATOM 0 H VAL A 72 6.462 9.569 5.112 1.00 0.00 H new ATOM 0 HA VAL A 72 8.736 7.777 4.830 1.00 0.00 H new ATOM 0 HB VAL A 72 6.688 8.611 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.264 6.451 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.682 7.517 1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.466 6.165 2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.433 6.578 3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.553 6.299 4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.508 7.739 4.701 1.00 0.00 H new ATOM 1153 N THR A 73 10.219 9.073 3.270 1.00 0.00 N ATOM 1154 CA THR A 73 11.167 9.911 2.546 1.00 0.00 C ATOM 1155 C THR A 73 11.790 9.148 1.381 1.00 0.00 C ATOM 1156 O THR A 73 11.490 7.973 1.164 1.00 0.00 O ATOM 1157 CB THR A 73 12.264 10.409 3.489 1.00 0.00 C ATOM 1158 OG1 THR A 73 12.582 9.422 4.454 1.00 0.00 O ATOM 1159 CG2 THR A 73 11.886 11.673 4.231 1.00 0.00 C ATOM 0 H THR A 73 10.568 8.142 3.499 1.00 0.00 H new ATOM 0 HA THR A 73 10.624 10.768 2.147 1.00 0.00 H new ATOM 0 HB THR A 73 13.120 10.625 2.849 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.556 9.331 4.521 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.707 11.972 4.882 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.683 12.469 3.514 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.995 11.490 4.832 1.00 0.00 H new ATOM 1167 N GLU A 74 12.657 9.824 0.634 1.00 0.00 N ATOM 1168 CA GLU A 74 13.320 9.209 -0.510 1.00 0.00 C ATOM 1169 C GLU A 74 14.171 8.020 -0.075 1.00 0.00 C ATOM 1170 O GLU A 74 14.233 7.003 -0.767 1.00 0.00 O ATOM 1171 CB GLU A 74 14.193 10.237 -1.234 1.00 0.00 C ATOM 1172 CG GLU A 74 13.429 11.472 -1.684 1.00 0.00 C ATOM 1173 CD GLU A 74 13.338 11.585 -3.193 1.00 0.00 C ATOM 1174 OE1 GLU A 74 14.347 11.300 -3.871 1.00 0.00 O ATOM 1175 OE2 GLU A 74 12.258 11.958 -3.696 1.00 0.00 O ATOM 0 H GLU A 74 12.916 10.796 0.800 1.00 0.00 H new ATOM 0 HA GLU A 74 12.550 8.850 -1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.005 10.542 -0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.650 9.765 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.423 11.445 -1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.917 12.362 -1.286 1.00 0.00 H new ATOM 1182 N ASP A 75 14.825 8.153 1.074 1.00 0.00 N ATOM 1183 CA ASP A 75 15.673 7.090 1.599 1.00 0.00 C ATOM 1184 C ASP A 75 14.837 5.890 2.033 1.00 0.00 C ATOM 1185 O ASP A 75 15.143 4.749 1.685 1.00 0.00 O ATOM 1186 CB ASP A 75 16.500 7.603 2.780 1.00 0.00 C ATOM 1187 CG ASP A 75 15.646 8.285 3.831 1.00 0.00 C ATOM 1188 OD1 ASP A 75 15.103 9.372 3.541 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.522 7.732 4.943 1.00 0.00 O ATOM 0 H ASP A 75 14.784 8.987 1.660 1.00 0.00 H new ATOM 0 HA ASP A 75 16.347 6.772 0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.034 6.769 3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.252 8.303 2.416 1.00 0.00 H new ATOM 1194 N LYS A 76 13.780 6.154 2.794 1.00 0.00 N ATOM 1195 CA LYS A 76 12.899 5.096 3.275 1.00 0.00 C ATOM 1196 C LYS A 76 12.205 4.395 2.111 1.00 0.00 C ATOM 1197 O LYS A 76 11.908 3.202 2.180 1.00 0.00 O ATOM 1198 CB LYS A 76 11.854 5.669 4.234 1.00 0.00 C ATOM 1199 CG LYS A 76 12.438 6.600 5.287 1.00 0.00 C ATOM 1200 CD LYS A 76 12.459 5.952 6.664 1.00 0.00 C ATOM 1201 CE LYS A 76 11.580 6.706 7.652 1.00 0.00 C ATOM 1202 NZ LYS A 76 12.234 6.844 8.982 1.00 0.00 N ATOM 0 H LYS A 76 13.513 7.092 3.091 1.00 0.00 H new ATOM 0 HA LYS A 76 13.508 4.365 3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.103 6.211 3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.341 4.847 4.733 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.452 6.881 5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.852 7.518 5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.117 4.920 6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.483 5.921 7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.353 7.695 7.255 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.631 6.183 7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.725 7.553 9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.214 5.929 9.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.221 7.147 8.854 1.00 0.00 H new ATOM 1216 N LEU A 77 11.951 5.143 1.045 1.00 0.00 N ATOM 1217 CA LEU A 77 11.289 4.599 -0.136 1.00 0.00 C ATOM 1218 C LEU A 77 12.295 3.933 -1.073 1.00 0.00 C ATOM 1219 O LEU A 77 11.928 3.089 -1.890 1.00 0.00 O ATOM 1220 CB LEU A 77 10.540 5.709 -0.876 1.00 0.00 C ATOM 1221 CG LEU A 77 9.309 5.255 -1.666 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.713 4.338 -2.808 1.00 0.00 C ATOM 1223 CD2 LEU A 77 8.307 4.564 -0.752 1.00 0.00 C ATOM 0 H LEU A 77 12.194 6.131 0.973 1.00 0.00 H new ATOM 0 HA LEU A 77 10.577 3.842 0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.229 6.460 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.232 6.196 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 77 8.831 6.139 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.824 4.027 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.387 4.869 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.218 3.459 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.440 4.250 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.773 3.691 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.989 5.256 0.028 1.00 0.00 H new ATOM 1235 N GLU A 78 13.562 4.317 -0.957 1.00 0.00 N ATOM 1236 CA GLU A 78 14.609 3.755 -1.802 1.00 0.00 C ATOM 1237 C GLU A 78 15.148 2.450 -1.221 1.00 0.00 C ATOM 1238 O GLU A 78 15.612 1.579 -1.957 1.00 0.00 O ATOM 1239 CB GLU A 78 15.751 4.759 -1.973 1.00 0.00 C ATOM 1240 CG GLU A 78 15.627 5.611 -3.226 1.00 0.00 C ATOM 1241 CD GLU A 78 16.972 6.034 -3.779 1.00 0.00 C ATOM 1242 OE1 GLU A 78 17.777 5.144 -4.127 1.00 0.00 O ATOM 1243 OE2 GLU A 78 17.223 7.254 -3.864 1.00 0.00 O ATOM 0 H GLU A 78 13.888 5.014 -0.287 1.00 0.00 H new ATOM 0 HA GLU A 78 14.171 3.540 -2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.784 5.412 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.697 4.219 -2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.084 5.052 -3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.036 6.499 -3.000 1.00 0.00 H new ATOM 1250 N LYS A 79 15.092 2.321 0.101 1.00 0.00 N ATOM 1251 CA LYS A 79 15.580 1.123 0.772 1.00 0.00 C ATOM 1252 C LYS A 79 14.445 0.142 1.051 1.00 0.00 C ATOM 1253 O LYS A 79 14.537 -1.039 0.717 1.00 0.00 O ATOM 1254 CB LYS A 79 16.279 1.497 2.081 1.00 0.00 C ATOM 1255 CG LYS A 79 17.409 0.550 2.459 1.00 0.00 C ATOM 1256 CD LYS A 79 18.622 1.304 2.983 1.00 0.00 C ATOM 1257 CE LYS A 79 18.759 1.161 4.491 1.00 0.00 C ATOM 1258 NZ LYS A 79 20.185 1.075 4.914 1.00 0.00 N ATOM 0 H LYS A 79 14.714 3.031 0.728 1.00 0.00 H new ATOM 0 HA LYS A 79 16.295 0.636 0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.677 2.508 1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.543 1.511 2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.059 -0.150 3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.695 -0.041 1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 79 19.523 0.928 2.498 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.536 2.359 2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.286 2.012 4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.228 0.268 4.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.337 1.678 5.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.418 0.090 5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.797 1.398 4.138 1.00 0.00 H new ATOM 1272 N TYR A 80 13.378 0.637 1.669 1.00 0.00 N ATOM 1273 CA TYR A 80 12.228 -0.198 1.996 1.00 0.00 C ATOM 1274 C TYR A 80 11.280 -0.341 0.806 1.00 0.00 C ATOM 1275 O TYR A 80 10.388 -1.188 0.814 1.00 0.00 O ATOM 1276 CB TYR A 80 11.475 0.386 3.193 1.00 0.00 C ATOM 1277 CG TYR A 80 12.369 0.714 4.368 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.193 -0.254 4.928 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.389 1.990 4.916 1.00 0.00 C ATOM 1280 CE1 TYR A 80 14.012 0.040 6.001 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.206 2.293 5.989 1.00 0.00 C ATOM 1282 CZ TYR A 80 14.014 1.315 6.528 1.00 0.00 C ATOM 1283 OH TYR A 80 14.829 1.611 7.596 1.00 0.00 O ATOM 0 H TYR A 80 13.286 1.612 1.953 1.00 0.00 H new ATOM 0 HA TYR A 80 12.601 -1.190 2.250 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.955 1.291 2.879 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.713 -0.324 3.514 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.193 -1.253 4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.756 2.758 4.497 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.647 -0.724 6.425 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.211 3.291 6.403 1.00 0.00 H new ATOM 0 HH TYR A 80 14.712 2.551 7.846 1.00 0.00 H new ATOM 1293 N GLY A 81 11.475 0.492 -0.215 1.00 0.00 N ATOM 1294 CA GLY A 81 10.625 0.437 -1.391 1.00 0.00 C ATOM 1295 C GLY A 81 10.548 -0.953 -1.996 1.00 0.00 C ATOM 1296 O GLY A 81 9.490 -1.379 -2.458 1.00 0.00 O ATOM 0 H GLY A 81 12.206 1.203 -0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.621 0.768 -1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.002 1.134 -2.139 1.00 0.00 H new ATOM 1300 N ALA A 82 11.673 -1.659 -1.997 1.00 0.00 N ATOM 1301 CA ALA A 82 11.729 -3.005 -2.554 1.00 0.00 C ATOM 1302 C ALA A 82 10.867 -3.974 -1.752 1.00 0.00 C ATOM 1303 O ALA A 82 10.367 -4.963 -2.289 1.00 0.00 O ATOM 1304 CB ALA A 82 13.168 -3.493 -2.604 1.00 0.00 C ATOM 0 H ALA A 82 12.558 -1.322 -1.618 1.00 0.00 H new ATOM 0 HA ALA A 82 11.332 -2.967 -3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.197 -4.499 -3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.758 -2.823 -3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.583 -3.507 -1.596 1.00 0.00 H new ATOM 1310 N GLU A 83 10.703 -3.694 -0.463 1.00 0.00 N ATOM 1311 CA GLU A 83 9.907 -4.550 0.410 1.00 0.00 C ATOM 1312 C GLU A 83 8.480 -4.027 0.555 1.00 0.00 C ATOM 1313 O GLU A 83 7.517 -4.735 0.256 1.00 0.00 O ATOM 1314 CB GLU A 83 10.566 -4.664 1.785 1.00 0.00 C ATOM 1315 CG GLU A 83 10.794 -6.099 2.235 1.00 0.00 C ATOM 1316 CD GLU A 83 9.519 -6.920 2.239 1.00 0.00 C ATOM 1317 OE1 GLU A 83 8.969 -7.171 1.145 1.00 0.00 O ATOM 1318 OE2 GLU A 83 9.071 -7.315 3.336 1.00 0.00 O ATOM 0 H GLU A 83 11.110 -2.882 0.000 1.00 0.00 H new ATOM 0 HA GLU A 83 9.859 -5.538 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.523 -4.142 1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.942 -4.156 2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.523 -6.571 1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.224 -6.098 3.237 1.00 0.00 H new ATOM 1325 N VAL A 84 8.346 -2.789 1.024 1.00 0.00 N ATOM 1326 CA VAL A 84 7.031 -2.179 1.217 1.00 0.00 C ATOM 1327 C VAL A 84 6.136 -2.379 -0.003 1.00 0.00 C ATOM 1328 O VAL A 84 4.961 -2.724 0.123 1.00 0.00 O ATOM 1329 CB VAL A 84 7.138 -0.668 1.507 1.00 0.00 C ATOM 1330 CG1 VAL A 84 7.946 -0.416 2.765 1.00 0.00 C ATOM 1331 CG2 VAL A 84 7.750 0.069 0.328 1.00 0.00 C ATOM 0 H VAL A 84 9.130 -2.188 1.278 1.00 0.00 H new ATOM 0 HA VAL A 84 6.588 -2.679 2.078 1.00 0.00 H new ATOM 0 HB VAL A 84 6.129 -0.286 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.008 0.657 2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.462 -0.902 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.950 -0.821 2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.815 1.133 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.749 -0.322 0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.126 -0.075 -0.554 1.00 0.00 H new ATOM 1341 N ILE A 85 6.704 -2.156 -1.185 1.00 0.00 N ATOM 1342 CA ILE A 85 5.967 -2.303 -2.433 1.00 0.00 C ATOM 1343 C ILE A 85 5.658 -3.766 -2.724 1.00 0.00 C ATOM 1344 O ILE A 85 4.686 -4.080 -3.413 1.00 0.00 O ATOM 1345 CB ILE A 85 6.753 -1.701 -3.613 1.00 0.00 C ATOM 1346 CG1 ILE A 85 7.156 -0.254 -3.288 1.00 0.00 C ATOM 1347 CG2 ILE A 85 5.934 -1.774 -4.897 1.00 0.00 C ATOM 1348 CD1 ILE A 85 6.182 0.792 -3.789 1.00 0.00 C ATOM 0 H ILE A 85 7.676 -1.872 -1.303 1.00 0.00 H new ATOM 0 HA ILE A 85 5.028 -1.762 -2.317 1.00 0.00 H new ATOM 0 HB ILE A 85 7.661 -2.283 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 85 7.257 -0.151 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.137 -0.057 -3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.507 -1.344 -5.719 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.702 -2.815 -5.122 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.007 -1.215 -4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.542 1.784 -3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.098 0.721 -4.873 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.204 0.625 -3.337 1.00 0.00 H new ATOM 1360 N SER A 86 6.483 -4.662 -2.193 1.00 0.00 N ATOM 1361 CA SER A 86 6.284 -6.092 -2.396 1.00 0.00 C ATOM 1362 C SER A 86 4.925 -6.524 -1.856 1.00 0.00 C ATOM 1363 O SER A 86 4.290 -7.432 -2.394 1.00 0.00 O ATOM 1364 CB SER A 86 7.397 -6.887 -1.711 1.00 0.00 C ATOM 1365 OG SER A 86 7.377 -8.245 -2.113 1.00 0.00 O ATOM 0 H SER A 86 7.293 -4.424 -1.621 1.00 0.00 H new ATOM 0 HA SER A 86 6.315 -6.294 -3.467 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.364 -6.447 -1.954 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.280 -6.823 -0.629 1.00 0.00 H new ATOM 0 HG SER A 86 8.099 -8.730 -1.662 1.00 0.00 H new ATOM 1371 N VAL A 87 4.485 -5.861 -0.791 1.00 0.00 N ATOM 1372 CA VAL A 87 3.199 -6.166 -0.173 1.00 0.00 C ATOM 1373 C VAL A 87 2.081 -5.326 -0.783 1.00 0.00 C ATOM 1374 O VAL A 87 0.924 -5.746 -0.817 1.00 0.00 O ATOM 1375 CB VAL A 87 3.235 -5.920 1.348 1.00 0.00 C ATOM 1376 CG1 VAL A 87 1.976 -6.464 2.010 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.482 -6.539 1.962 1.00 0.00 C ATOM 0 H VAL A 87 5.001 -5.107 -0.337 1.00 0.00 H new ATOM 0 HA VAL A 87 3.002 -7.221 -0.361 1.00 0.00 H new ATOM 0 HB VAL A 87 3.271 -4.844 1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.021 -6.280 3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.101 -5.965 1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.904 -7.536 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.489 -6.354 3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.483 -7.613 1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.369 -6.093 1.512 1.00 0.00 H new ATOM 1387 N LEU A 88 2.433 -4.135 -1.256 1.00 0.00 N ATOM 1388 CA LEU A 88 1.455 -3.231 -1.856 1.00 0.00 C ATOM 1389 C LEU A 88 1.028 -3.711 -3.241 1.00 0.00 C ATOM 1390 O LEU A 88 -0.049 -3.357 -3.722 1.00 0.00 O ATOM 1391 CB LEU A 88 2.029 -1.815 -1.948 1.00 0.00 C ATOM 1392 CG LEU A 88 1.972 -1.008 -0.646 1.00 0.00 C ATOM 1393 CD1 LEU A 88 3.332 -0.412 -0.318 1.00 0.00 C ATOM 1394 CD2 LEU A 88 0.918 0.089 -0.738 1.00 0.00 C ATOM 0 H LEU A 88 3.386 -3.773 -1.236 1.00 0.00 H new ATOM 0 HA LEU A 88 0.574 -3.222 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.068 -1.880 -2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.488 -1.269 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 88 1.693 -1.687 0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.266 0.156 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.062 -1.213 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.644 0.249 -1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.894 0.650 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.164 0.762 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.059 -0.359 -0.917 1.00 0.00 H new ATOM 1406 N GLN A 89 1.871 -4.517 -3.878 1.00 0.00 N ATOM 1407 CA GLN A 89 1.573 -5.039 -5.208 1.00 0.00 C ATOM 1408 C GLN A 89 0.217 -5.742 -5.234 1.00 0.00 C ATOM 1409 O GLN A 89 -0.421 -5.840 -6.284 1.00 0.00 O ATOM 1410 CB GLN A 89 2.669 -6.008 -5.654 1.00 0.00 C ATOM 1411 CG GLN A 89 2.977 -5.933 -7.141 1.00 0.00 C ATOM 1412 CD GLN A 89 4.038 -6.928 -7.569 1.00 0.00 C ATOM 1413 OE1 GLN A 89 5.235 -6.666 -7.452 1.00 0.00 O ATOM 1414 NE2 GLN A 89 3.604 -8.080 -8.067 1.00 0.00 N ATOM 0 H GLN A 89 2.766 -4.823 -3.495 1.00 0.00 H new ATOM 0 HA GLN A 89 1.535 -4.196 -5.898 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.579 -5.799 -5.092 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.367 -7.025 -5.404 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.064 -6.116 -7.707 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.309 -4.925 -7.389 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.602 -8.256 -8.146 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.272 -8.789 -8.370 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.218 -6.229 -4.076 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.496 -6.924 -3.971 1.00 0.00 C ATOM 1425 C LYS A 90 -2.665 -5.946 -4.066 1.00 0.00 C ATOM 1426 O LYS A 90 -3.748 -6.304 -4.528 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.571 -7.698 -2.654 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.410 -8.657 -2.445 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.823 -9.862 -1.613 1.00 0.00 C ATOM 1430 CE LYS A 90 -0.330 -9.747 -0.178 1.00 0.00 C ATOM 1431 NZ LYS A 90 0.658 -10.809 0.156 1.00 0.00 N ATOM 0 H LYS A 90 0.295 -6.155 -3.198 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.567 -7.624 -4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.599 -6.989 -1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.505 -8.259 -2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.036 -8.993 -3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.409 -8.135 -1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.909 -9.954 -1.619 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.424 -10.770 -2.064 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.125 -8.768 -0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.178 -9.813 0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.969 -10.696 1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.217 -11.743 0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.479 -10.731 -0.477 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.440 -4.713 -3.623 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.480 -3.689 -3.658 1.00 0.00 C ATOM 1447 C TYR A 91 -3.738 -3.218 -5.085 1.00 0.00 C ATOM 1448 O TYR A 91 -4.876 -3.217 -5.553 1.00 0.00 O ATOM 1449 CB TYR A 91 -3.084 -2.497 -2.785 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.468 -2.880 -1.456 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -2.790 -4.082 -0.833 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.561 -2.039 -0.825 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.225 -4.431 0.379 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -0.993 -2.382 0.385 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.326 -3.578 0.983 1.00 0.00 C ATOM 1456 OH TYR A 91 -0.759 -3.922 2.189 1.00 0.00 O ATOM 0 H TYR A 91 -1.550 -4.399 -3.237 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.397 -4.131 -3.268 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.377 -1.877 -3.335 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.968 -1.886 -2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.493 -4.753 -1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.296 -1.101 -1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.486 -5.367 0.850 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.290 -1.715 0.862 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.676 -3.124 2.751 1.00 0.00 H new ATOM 1466 N SER A 92 -2.674 -2.809 -5.769 1.00 0.00 N ATOM 1467 CA SER A 92 -2.785 -2.328 -7.142 1.00 0.00 C ATOM 1468 C SER A 92 -3.402 -3.386 -8.053 1.00 0.00 C ATOM 1469 O SER A 92 -3.956 -3.064 -9.104 1.00 0.00 O ATOM 1470 CB SER A 92 -1.410 -1.922 -7.672 1.00 0.00 C ATOM 1471 OG SER A 92 -1.140 -0.558 -7.402 1.00 0.00 O ATOM 0 H SER A 92 -1.725 -2.801 -5.395 1.00 0.00 H new ATOM 0 HA SER A 92 -3.442 -1.458 -7.139 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.642 -2.545 -7.214 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.365 -2.099 -8.747 1.00 0.00 H new ATOM 0 HG SER A 92 -1.880 -0.174 -6.888 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.302 -4.648 -7.649 1.00 0.00 N ATOM 1478 CA GLU A 93 -3.849 -5.748 -8.436 1.00 0.00 C ATOM 1479 C GLU A 93 -5.252 -6.128 -7.963 1.00 0.00 C ATOM 1480 O GLU A 93 -5.997 -6.796 -8.681 1.00 0.00 O ATOM 1481 CB GLU A 93 -2.923 -6.966 -8.360 1.00 0.00 C ATOM 1482 CG GLU A 93 -2.531 -7.517 -9.720 1.00 0.00 C ATOM 1483 CD GLU A 93 -3.732 -7.875 -10.573 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -4.570 -8.676 -10.111 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -3.833 -7.354 -11.704 1.00 0.00 O ATOM 0 H GLU A 93 -2.848 -4.935 -6.782 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.920 -5.414 -9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.020 -6.692 -7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.416 -7.752 -7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.924 -6.780 -10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.910 -8.402 -9.584 1.00 0.00 H new