USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 421 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : B 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 103 TYR OH : rot 180:sc= -0.0411 USER MOD Single : B 107 THR OG1 : rot 159:sc= -0.498! USER MOD Single : B 112 SER OG : rot 180:sc= -0.435 USER MOD Single : B 114 HIS : no HD1:sc=-0.00297 X(o=-0.003,f=-0.014) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 GLN : amide:sc= -3.79! C(o=-3.8!,f=-5.3!) USER MOD Single : B 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 124 SER OG : rot 58:sc= 0.257 USER MOD Single : B 134 SER OG : rot -1:sc= 0.0526 USER MOD Single : B 136 THR OG1 : rot 180:sc= 0 USER MOD Single : B 137 THR OG1 : rot 180:sc= 0.0376 USER MOD Single : B 140 THR OG1 : rot 3:sc= 0.928 USER MOD Single : B 142 TYR OH : rot 180:sc= 0 USER MOD Single : B 145 SER OG : rot -122:sc= 1.29 USER MOD Single : B 146 ASN : amide:sc=-0.000612 X(o=-0.00061,f=-0.35) USER MOD Single : B 147 TYR OH : rot -95:sc= 0.0631 USER MOD ----------------------------------------------------------------- ATOM 69 N LEU A 95 -10.988 -1.865 -21.511 1.00 0.00 N ATOM 70 CA LEU A 95 -10.373 -1.966 -20.158 1.00 0.00 C ATOM 71 C LEU A 95 -8.849 -1.894 -20.291 1.00 0.00 C ATOM 72 O LEU A 95 -8.302 -2.242 -21.319 1.00 0.00 O ATOM 73 CB LEU A 95 -10.762 -3.299 -19.508 1.00 0.00 C ATOM 74 CG LEU A 95 -12.219 -3.637 -19.838 1.00 0.00 C ATOM 75 CD1 LEU A 95 -12.285 -5.009 -20.514 1.00 0.00 C ATOM 76 CD2 LEU A 95 -13.038 -3.670 -18.546 1.00 0.00 C ATOM 0 HA LEU A 95 -10.730 -1.145 -19.537 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.106 -4.093 -19.866 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.630 -3.239 -18.428 1.00 0.00 H new ATOM 0 HG LEU A 95 -12.624 -2.880 -20.510 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -13.322 -5.249 -20.749 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -11.700 -4.990 -21.433 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.880 -5.766 -19.842 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -14.075 -3.910 -18.779 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -12.631 -4.428 -17.877 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -12.992 -2.695 -18.061 1.00 0.00 H new ATOM 88 N PRO A 96 -8.207 -1.444 -19.243 1.00 0.00 N ATOM 89 CA PRO A 96 -6.740 -1.317 -19.217 1.00 0.00 C ATOM 90 C PRO A 96 -6.090 -2.686 -19.440 1.00 0.00 C ATOM 91 O PRO A 96 -6.607 -3.704 -19.023 1.00 0.00 O ATOM 92 CB PRO A 96 -6.415 -0.784 -17.816 1.00 0.00 C ATOM 93 CG PRO A 96 -7.755 -0.613 -17.054 1.00 0.00 C ATOM 94 CD PRO A 96 -8.889 -1.027 -18.004 1.00 0.00 C ATOM 0 HA PRO A 96 -6.365 -0.657 -19.999 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.759 -1.475 -17.286 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.888 0.168 -17.882 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.765 -1.229 -16.155 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.883 0.421 -16.733 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.480 -1.841 -17.584 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.573 -0.199 -18.188 1.00 0.00 H new ATOM 238 N LEU B 86 -19.028 -8.328 -3.168 1.00 0.00 N ATOM 239 CA LEU B 86 -17.880 -7.404 -2.929 1.00 0.00 C ATOM 240 C LEU B 86 -16.738 -7.754 -3.886 1.00 0.00 C ATOM 241 O LEU B 86 -16.331 -8.894 -3.991 1.00 0.00 O ATOM 242 CB LEU B 86 -17.399 -7.552 -1.484 1.00 0.00 C ATOM 243 CG LEU B 86 -17.747 -6.289 -0.697 1.00 0.00 C ATOM 244 CD1 LEU B 86 -19.232 -5.968 -0.880 1.00 0.00 C ATOM 245 CD2 LEU B 86 -17.456 -6.516 0.788 1.00 0.00 C ATOM 0 HA LEU B 86 -18.197 -6.376 -3.102 1.00 0.00 H new ATOM 0 HB2 LEU B 86 -17.866 -8.421 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU B 86 -16.322 -7.720 -1.464 1.00 0.00 H new ATOM 0 HG LEU B 86 -17.146 -5.457 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU B 86 -19.481 -5.067 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU B 86 -19.442 -5.807 -1.937 1.00 0.00 H new ATOM 0 HD13 LEU B 86 -19.832 -6.801 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU B 86 -17.704 -5.615 1.349 1.00 0.00 H new ATOM 0 HD22 LEU B 86 -18.057 -7.348 1.153 1.00 0.00 H new ATOM 0 HD23 LEU B 86 -16.399 -6.746 0.921 1.00 0.00 H new ATOM 257 N PHE B 87 -16.218 -6.783 -4.586 1.00 0.00 N ATOM 258 CA PHE B 87 -15.103 -7.063 -5.536 1.00 0.00 C ATOM 259 C PHE B 87 -13.911 -6.164 -5.201 1.00 0.00 C ATOM 260 O PHE B 87 -14.058 -4.979 -4.975 1.00 0.00 O ATOM 261 CB PHE B 87 -15.569 -6.781 -6.966 1.00 0.00 C ATOM 262 CG PHE B 87 -16.579 -7.823 -7.381 1.00 0.00 C ATOM 263 CD1 PHE B 87 -17.806 -7.913 -6.714 1.00 0.00 C ATOM 264 CD2 PHE B 87 -16.288 -8.701 -8.433 1.00 0.00 C ATOM 265 CE1 PHE B 87 -18.743 -8.880 -7.098 1.00 0.00 C ATOM 266 CE2 PHE B 87 -17.225 -9.667 -8.817 1.00 0.00 C ATOM 267 CZ PHE B 87 -18.453 -9.757 -8.150 1.00 0.00 C ATOM 0 H PHE B 87 -16.516 -5.809 -4.542 1.00 0.00 H new ATOM 0 HA PHE B 87 -14.805 -8.108 -5.450 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -16.011 -5.786 -7.026 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -14.718 -6.793 -7.646 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -18.030 -7.236 -5.903 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -15.341 -8.632 -8.948 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -19.690 -8.949 -6.583 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -17.001 -10.344 -9.628 1.00 0.00 H new ATOM 0 HZ PHE B 87 -19.176 -10.502 -8.447 1.00 0.00 H new ATOM 277 N VAL B 88 -12.728 -6.717 -5.167 1.00 0.00 N ATOM 278 CA VAL B 88 -11.528 -5.894 -4.846 1.00 0.00 C ATOM 279 C VAL B 88 -10.810 -5.508 -6.141 1.00 0.00 C ATOM 280 O VAL B 88 -10.893 -6.197 -7.137 1.00 0.00 O ATOM 281 CB VAL B 88 -10.577 -6.701 -3.962 1.00 0.00 C ATOM 282 CG1 VAL B 88 -9.728 -5.748 -3.119 1.00 0.00 C ATOM 283 CG2 VAL B 88 -11.386 -7.615 -3.040 1.00 0.00 C ATOM 0 H VAL B 88 -12.542 -7.703 -5.348 1.00 0.00 H new ATOM 0 HA VAL B 88 -11.840 -4.992 -4.319 1.00 0.00 H new ATOM 0 HB VAL B 88 -9.925 -7.306 -4.592 1.00 0.00 H new ATOM 0 HG11 VAL B 88 -9.051 -6.325 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL B 88 -9.149 -5.099 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL B 88 -10.379 -5.140 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL B 88 -10.707 -8.190 -2.410 1.00 0.00 H new ATOM 0 HG22 VAL B 88 -12.040 -7.011 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL B 88 -11.988 -8.297 -3.641 1.00 0.00 H new ATOM 293 N ALA B 89 -10.096 -4.414 -6.131 1.00 0.00 N ATOM 294 CA ALA B 89 -9.368 -3.990 -7.360 1.00 0.00 C ATOM 295 C ALA B 89 -8.036 -4.742 -7.441 1.00 0.00 C ATOM 296 O ALA B 89 -7.112 -4.471 -6.701 1.00 0.00 O ATOM 297 CB ALA B 89 -9.104 -2.484 -7.305 1.00 0.00 C ATOM 0 H ALA B 89 -9.986 -3.797 -5.326 1.00 0.00 H new ATOM 0 HA ALA B 89 -9.971 -4.217 -8.239 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -8.571 -2.175 -8.204 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -10.052 -1.950 -7.243 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -8.500 -2.252 -6.428 1.00 0.00 H new ATOM 303 N LEU B 100 -7.939 -5.692 -8.331 1.00 0.00 N ATOM 304 CA LEU B 100 -6.675 -6.473 -8.459 1.00 0.00 C ATOM 305 C LEU B 100 -5.588 -5.604 -9.089 1.00 0.00 C ATOM 306 O LEU B 100 -4.449 -6.011 -9.205 1.00 0.00 O ATOM 307 CB LEU B 100 -6.908 -7.689 -9.360 1.00 0.00 C ATOM 308 CG LEU B 100 -8.299 -8.277 -9.112 1.00 0.00 C ATOM 309 CD1 LEU B 100 -9.075 -8.319 -10.430 1.00 0.00 C ATOM 310 CD2 LEU B 100 -8.156 -9.698 -8.562 1.00 0.00 C ATOM 0 H LEU B 100 -8.682 -5.962 -8.976 1.00 0.00 H new ATOM 0 HA LEU B 100 -6.362 -6.797 -7.466 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -6.810 -7.399 -10.406 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -6.147 -8.445 -9.166 1.00 0.00 H new ATOM 0 HG LEU B 100 -8.835 -7.658 -8.393 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -10.066 -8.738 -10.255 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -9.173 -7.309 -10.827 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -8.540 -8.941 -11.148 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -9.145 -10.120 -8.384 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -7.622 -10.316 -9.284 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -7.599 -9.671 -7.626 1.00 0.00 H new ATOM 322 N TYR B 101 -5.926 -4.419 -9.515 1.00 0.00 N ATOM 323 CA TYR B 101 -4.900 -3.550 -10.156 1.00 0.00 C ATOM 324 C TYR B 101 -5.125 -2.085 -9.777 1.00 0.00 C ATOM 325 O TYR B 101 -6.150 -1.716 -9.240 1.00 0.00 O ATOM 326 CB TYR B 101 -5.004 -3.696 -11.674 1.00 0.00 C ATOM 327 CG TYR B 101 -3.669 -4.120 -12.233 1.00 0.00 C ATOM 328 CD1 TYR B 101 -2.720 -3.155 -12.583 1.00 0.00 C ATOM 329 CD2 TYR B 101 -3.384 -5.481 -12.403 1.00 0.00 C ATOM 330 CE1 TYR B 101 -1.481 -3.549 -13.103 1.00 0.00 C ATOM 331 CE2 TYR B 101 -2.146 -5.875 -12.923 1.00 0.00 C ATOM 332 CZ TYR B 101 -1.195 -4.910 -13.273 1.00 0.00 C ATOM 333 OH TYR B 101 0.026 -5.299 -13.786 1.00 0.00 O ATOM 0 H TYR B 101 -6.861 -4.017 -9.448 1.00 0.00 H new ATOM 0 HA TYR B 101 -3.912 -3.855 -9.812 1.00 0.00 H new ATOM 0 HB2 TYR B 101 -5.766 -4.433 -11.927 1.00 0.00 H new ATOM 0 HB3 TYR B 101 -5.313 -2.751 -12.120 1.00 0.00 H new ATOM 0 HD1 TYR B 101 -2.942 -2.106 -12.452 1.00 0.00 H new ATOM 0 HD2 TYR B 101 -4.119 -6.225 -12.133 1.00 0.00 H new ATOM 0 HE1 TYR B 101 -0.747 -2.805 -13.373 1.00 0.00 H new ATOM 0 HE2 TYR B 101 -1.925 -6.924 -13.054 1.00 0.00 H new ATOM 0 HH TYR B 101 0.062 -6.277 -13.838 1.00 0.00 H new ATOM 343 N ASP B 102 -4.168 -1.245 -10.072 1.00 0.00 N ATOM 344 CA ASP B 102 -4.310 0.203 -9.753 1.00 0.00 C ATOM 345 C ASP B 102 -4.844 0.924 -10.992 1.00 0.00 C ATOM 346 O ASP B 102 -4.676 0.464 -12.103 1.00 0.00 O ATOM 347 CB ASP B 102 -2.939 0.775 -9.371 1.00 0.00 C ATOM 348 CG ASP B 102 -2.977 2.304 -9.432 1.00 0.00 C ATOM 349 OD1 ASP B 102 -3.072 2.831 -10.528 1.00 0.00 O ATOM 350 OD2 ASP B 102 -2.909 2.921 -8.382 1.00 0.00 O ATOM 0 H ASP B 102 -3.290 -1.503 -10.523 1.00 0.00 H new ATOM 0 HA ASP B 102 -4.999 0.341 -8.919 1.00 0.00 H new ATOM 0 HB2 ASP B 102 -2.666 0.449 -8.367 1.00 0.00 H new ATOM 0 HB3 ASP B 102 -2.175 0.394 -10.049 1.00 0.00 H new ATOM 355 N TYR B 103 -5.490 2.043 -10.819 1.00 0.00 N ATOM 356 CA TYR B 103 -6.030 2.767 -12.003 1.00 0.00 C ATOM 357 C TYR B 103 -6.135 4.262 -11.701 1.00 0.00 C ATOM 358 O TYR B 103 -6.367 4.666 -10.578 1.00 0.00 O ATOM 359 CB TYR B 103 -7.415 2.215 -12.344 1.00 0.00 C ATOM 360 CG TYR B 103 -7.969 2.945 -13.543 1.00 0.00 C ATOM 361 CD1 TYR B 103 -7.438 2.705 -14.816 1.00 0.00 C ATOM 362 CD2 TYR B 103 -9.014 3.863 -13.384 1.00 0.00 C ATOM 363 CE1 TYR B 103 -7.951 3.382 -15.928 1.00 0.00 C ATOM 364 CE2 TYR B 103 -9.527 4.540 -14.495 1.00 0.00 C ATOM 365 CZ TYR B 103 -8.996 4.299 -15.768 1.00 0.00 C ATOM 366 OH TYR B 103 -9.502 4.967 -16.864 1.00 0.00 O ATOM 0 H TYR B 103 -5.667 2.485 -9.917 1.00 0.00 H new ATOM 0 HA TYR B 103 -5.358 2.623 -12.849 1.00 0.00 H new ATOM 0 HB2 TYR B 103 -7.351 1.147 -12.553 1.00 0.00 H new ATOM 0 HB3 TYR B 103 -8.085 2.333 -11.492 1.00 0.00 H new ATOM 0 HD1 TYR B 103 -6.632 1.997 -14.940 1.00 0.00 H new ATOM 0 HD2 TYR B 103 -9.424 4.049 -12.402 1.00 0.00 H new ATOM 0 HE1 TYR B 103 -7.541 3.197 -16.910 1.00 0.00 H new ATOM 0 HE2 TYR B 103 -10.333 5.249 -14.371 1.00 0.00 H new ATOM 0 HH TYR B 103 -10.224 5.565 -16.578 1.00 0.00 H new ATOM 376 N GLU B 104 -5.968 5.084 -12.700 1.00 0.00 N ATOM 377 CA GLU B 104 -6.060 6.554 -12.484 1.00 0.00 C ATOM 378 C GLU B 104 -7.277 7.100 -13.235 1.00 0.00 C ATOM 379 O GLU B 104 -7.361 7.013 -14.443 1.00 0.00 O ATOM 380 CB GLU B 104 -4.789 7.225 -13.011 1.00 0.00 C ATOM 381 CG GLU B 104 -4.453 6.666 -14.394 1.00 0.00 C ATOM 382 CD GLU B 104 -3.482 7.612 -15.104 1.00 0.00 C ATOM 383 OE1 GLU B 104 -3.223 8.675 -14.565 1.00 0.00 O ATOM 384 OE2 GLU B 104 -3.013 7.255 -16.173 1.00 0.00 O ATOM 0 H GLU B 104 -5.771 4.799 -13.659 1.00 0.00 H new ATOM 0 HA GLU B 104 -6.165 6.763 -11.419 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -4.932 8.304 -13.068 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -3.961 7.049 -12.325 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -4.009 5.675 -14.299 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -5.363 6.552 -14.983 1.00 0.00 H new ATOM 391 N ALA B 105 -8.221 7.660 -12.530 1.00 0.00 N ATOM 392 CA ALA B 105 -9.430 8.207 -13.206 1.00 0.00 C ATOM 393 C ALA B 105 -9.004 9.144 -14.338 1.00 0.00 C ATOM 394 O ALA B 105 -8.654 10.286 -14.114 1.00 0.00 O ATOM 395 CB ALA B 105 -10.272 8.981 -12.191 1.00 0.00 C ATOM 0 H ALA B 105 -8.207 7.762 -11.515 1.00 0.00 H new ATOM 0 HA ALA B 105 -10.019 7.387 -13.618 1.00 0.00 H new ATOM 0 HB1 ALA B 105 -11.158 9.382 -12.684 1.00 0.00 H new ATOM 0 HB2 ALA B 105 -10.576 8.313 -11.386 1.00 0.00 H new ATOM 0 HB3 ALA B 105 -9.683 9.801 -11.779 1.00 0.00 H new ATOM 401 N ARG B 106 -9.030 8.671 -15.554 1.00 0.00 N ATOM 402 CA ARG B 106 -8.625 9.534 -16.700 1.00 0.00 C ATOM 403 C ARG B 106 -9.871 10.137 -17.357 1.00 0.00 C ATOM 404 O ARG B 106 -9.780 10.871 -18.321 1.00 0.00 O ATOM 405 CB ARG B 106 -7.866 8.691 -17.726 1.00 0.00 C ATOM 406 CG ARG B 106 -6.548 8.210 -17.118 1.00 0.00 C ATOM 407 CD ARG B 106 -5.641 7.673 -18.227 1.00 0.00 C ATOM 408 NE ARG B 106 -6.278 6.479 -18.851 1.00 0.00 N ATOM 409 CZ ARG B 106 -5.546 5.607 -19.489 1.00 0.00 C ATOM 410 NH1 ARG B 106 -5.175 5.841 -20.717 1.00 0.00 N ATOM 411 NH2 ARG B 106 -5.185 4.500 -18.898 1.00 0.00 N ATOM 0 H ARG B 106 -9.314 7.724 -15.804 1.00 0.00 H new ATOM 0 HA ARG B 106 -7.983 10.337 -16.339 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -8.471 7.837 -18.030 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -7.672 9.279 -18.623 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -6.055 9.030 -16.596 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -6.738 7.431 -16.380 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -5.472 8.444 -18.979 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -4.666 7.407 -17.818 1.00 0.00 H new ATOM 0 HE ARG B 106 -7.286 6.343 -18.779 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -5.457 6.706 -21.179 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -4.603 5.159 -21.216 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -5.475 4.317 -17.937 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -4.613 3.819 -19.397 1.00 0.00 H new ATOM 425 N THR B 107 -11.033 9.834 -16.845 1.00 0.00 N ATOM 426 CA THR B 107 -12.279 10.394 -17.444 1.00 0.00 C ATOM 427 C THR B 107 -13.116 11.058 -16.350 1.00 0.00 C ATOM 428 O THR B 107 -12.784 11.006 -15.183 1.00 0.00 O ATOM 429 CB THR B 107 -13.091 9.268 -18.090 1.00 0.00 C ATOM 430 OG1 THR B 107 -12.612 8.014 -17.622 1.00 0.00 O ATOM 431 CG2 THR B 107 -12.946 9.339 -19.612 1.00 0.00 C ATOM 0 H THR B 107 -11.174 9.224 -16.040 1.00 0.00 H new ATOM 0 HA THR B 107 -12.015 11.132 -18.202 1.00 0.00 H new ATOM 0 HB THR B 107 -14.142 9.378 -17.824 1.00 0.00 H new ATOM 0 HG1 THR B 107 -13.303 7.331 -17.751 1.00 0.00 H new ATOM 0 HG21 THR B 107 -13.524 8.537 -20.070 1.00 0.00 H new ATOM 0 HG22 THR B 107 -13.314 10.301 -19.968 1.00 0.00 H new ATOM 0 HG23 THR B 107 -11.896 9.230 -19.883 1.00 0.00 H new ATOM 439 N GLU B 108 -14.199 11.684 -16.720 1.00 0.00 N ATOM 440 CA GLU B 108 -15.060 12.352 -15.705 1.00 0.00 C ATOM 441 C GLU B 108 -16.048 11.338 -15.124 1.00 0.00 C ATOM 442 O GLU B 108 -16.627 11.552 -14.077 1.00 0.00 O ATOM 443 CB GLU B 108 -15.834 13.493 -16.369 1.00 0.00 C ATOM 444 CG GLU B 108 -14.981 14.762 -16.360 1.00 0.00 C ATOM 445 CD GLU B 108 -15.148 15.479 -15.020 1.00 0.00 C ATOM 446 OE1 GLU B 108 -16.254 15.480 -14.505 1.00 0.00 O ATOM 447 OE2 GLU B 108 -14.167 16.014 -14.531 1.00 0.00 O ATOM 0 H GLU B 108 -14.525 11.762 -17.683 1.00 0.00 H new ATOM 0 HA GLU B 108 -14.436 12.750 -14.904 1.00 0.00 H new ATOM 0 HB2 GLU B 108 -16.093 13.223 -17.393 1.00 0.00 H new ATOM 0 HB3 GLU B 108 -16.770 13.668 -15.839 1.00 0.00 H new ATOM 0 HG2 GLU B 108 -13.933 14.510 -16.521 1.00 0.00 H new ATOM 0 HG3 GLU B 108 -15.280 15.420 -17.176 1.00 0.00 H new ATOM 454 N ASP B 109 -16.250 10.239 -15.797 1.00 0.00 N ATOM 455 CA ASP B 109 -17.203 9.215 -15.283 1.00 0.00 C ATOM 456 C ASP B 109 -16.431 7.977 -14.824 1.00 0.00 C ATOM 457 O ASP B 109 -16.894 6.861 -14.958 1.00 0.00 O ATOM 458 CB ASP B 109 -18.180 8.826 -16.395 1.00 0.00 C ATOM 459 CG ASP B 109 -17.426 8.086 -17.502 1.00 0.00 C ATOM 460 OD1 ASP B 109 -17.144 6.912 -17.318 1.00 0.00 O ATOM 461 OD2 ASP B 109 -17.144 8.704 -18.515 1.00 0.00 O ATOM 0 H ASP B 109 -15.797 10.006 -16.680 1.00 0.00 H new ATOM 0 HA ASP B 109 -17.756 9.627 -14.439 1.00 0.00 H new ATOM 0 HB2 ASP B 109 -18.971 8.193 -15.993 1.00 0.00 H new ATOM 0 HB3 ASP B 109 -18.660 9.717 -16.800 1.00 0.00 H new ATOM 466 N ASP B 110 -15.260 8.162 -14.281 1.00 0.00 N ATOM 467 CA ASP B 110 -14.462 6.993 -13.812 1.00 0.00 C ATOM 468 C ASP B 110 -14.002 7.232 -12.373 1.00 0.00 C ATOM 469 O ASP B 110 -14.300 8.246 -11.775 1.00 0.00 O ATOM 470 CB ASP B 110 -13.241 6.813 -14.717 1.00 0.00 C ATOM 471 CG ASP B 110 -13.580 5.835 -15.843 1.00 0.00 C ATOM 472 OD1 ASP B 110 -14.567 5.129 -15.712 1.00 0.00 O ATOM 473 OD2 ASP B 110 -12.847 5.807 -16.818 1.00 0.00 O ATOM 0 H ASP B 110 -14.820 9.072 -14.141 1.00 0.00 H new ATOM 0 HA ASP B 110 -15.078 6.094 -13.850 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -12.939 7.774 -15.134 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -12.397 6.438 -14.137 1.00 0.00 H new ATOM 478 N LEU B 111 -13.277 6.303 -11.810 1.00 0.00 N ATOM 479 CA LEU B 111 -12.800 6.477 -10.408 1.00 0.00 C ATOM 480 C LEU B 111 -11.295 6.216 -10.340 1.00 0.00 C ATOM 481 O LEU B 111 -10.705 5.675 -11.254 1.00 0.00 O ATOM 482 CB LEU B 111 -13.528 5.488 -9.495 1.00 0.00 C ATOM 483 CG LEU B 111 -15.036 5.612 -9.708 1.00 0.00 C ATOM 484 CD1 LEU B 111 -15.702 4.261 -9.437 1.00 0.00 C ATOM 485 CD2 LEU B 111 -15.603 6.660 -8.746 1.00 0.00 C ATOM 0 H LEU B 111 -12.995 5.432 -12.260 1.00 0.00 H new ATOM 0 HA LEU B 111 -13.006 7.496 -10.081 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -13.202 4.470 -9.710 1.00 0.00 H new ATOM 0 HB3 LEU B 111 -13.280 5.688 -8.453 1.00 0.00 H new ATOM 0 HG LEU B 111 -15.233 5.916 -10.736 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -16.778 4.349 -9.589 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -15.299 3.513 -10.120 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -15.504 3.958 -8.409 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -16.679 6.749 -8.898 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -15.405 6.355 -7.718 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -15.129 7.623 -8.936 1.00 0.00 H new ATOM 497 N SER B 112 -10.669 6.594 -9.259 1.00 0.00 N ATOM 498 CA SER B 112 -9.203 6.367 -9.125 1.00 0.00 C ATOM 499 C SER B 112 -8.924 5.631 -7.812 1.00 0.00 C ATOM 500 O SER B 112 -9.503 5.931 -6.788 1.00 0.00 O ATOM 501 CB SER B 112 -8.476 7.713 -9.118 1.00 0.00 C ATOM 502 OG SER B 112 -7.097 7.504 -9.399 1.00 0.00 O ATOM 0 H SER B 112 -11.111 7.051 -8.462 1.00 0.00 H new ATOM 0 HA SER B 112 -8.848 5.768 -9.964 1.00 0.00 H new ATOM 0 HB2 SER B 112 -8.913 8.379 -9.861 1.00 0.00 H new ATOM 0 HB3 SER B 112 -8.592 8.197 -8.148 1.00 0.00 H new ATOM 0 HG SER B 112 -6.629 8.365 -9.397 1.00 0.00 H new ATOM 508 N PHE B 113 -8.043 4.667 -7.833 1.00 0.00 N ATOM 509 CA PHE B 113 -7.738 3.918 -6.582 1.00 0.00 C ATOM 510 C PHE B 113 -6.434 3.137 -6.751 1.00 0.00 C ATOM 511 O PHE B 113 -5.771 3.223 -7.766 1.00 0.00 O ATOM 512 CB PHE B 113 -8.877 2.942 -6.282 1.00 0.00 C ATOM 513 CG PHE B 113 -9.227 2.170 -7.534 1.00 0.00 C ATOM 514 CD1 PHE B 113 -10.147 2.699 -8.447 1.00 0.00 C ATOM 515 CD2 PHE B 113 -8.631 0.927 -7.781 1.00 0.00 C ATOM 516 CE1 PHE B 113 -10.474 1.984 -9.606 1.00 0.00 C ATOM 517 CE2 PHE B 113 -8.958 0.213 -8.940 1.00 0.00 C ATOM 518 CZ PHE B 113 -9.879 0.741 -9.853 1.00 0.00 C ATOM 0 H PHE B 113 -7.524 4.368 -8.659 1.00 0.00 H new ATOM 0 HA PHE B 113 -7.632 4.624 -5.758 1.00 0.00 H new ATOM 0 HB2 PHE B 113 -8.581 2.255 -5.490 1.00 0.00 H new ATOM 0 HB3 PHE B 113 -9.750 3.486 -5.922 1.00 0.00 H new ATOM 0 HD1 PHE B 113 -10.605 3.659 -8.258 1.00 0.00 H new ATOM 0 HD2 PHE B 113 -7.920 0.520 -7.078 1.00 0.00 H new ATOM 0 HE1 PHE B 113 -11.185 2.392 -10.309 1.00 0.00 H new ATOM 0 HE2 PHE B 113 -8.499 -0.746 -9.130 1.00 0.00 H new ATOM 0 HZ PHE B 113 -10.130 0.190 -10.747 1.00 0.00 H new ATOM 528 N HIS B 114 -6.064 2.371 -5.761 1.00 0.00 N ATOM 529 CA HIS B 114 -4.805 1.580 -5.857 1.00 0.00 C ATOM 530 C HIS B 114 -5.125 0.096 -5.655 1.00 0.00 C ATOM 531 O HIS B 114 -6.080 -0.258 -4.995 1.00 0.00 O ATOM 532 CB HIS B 114 -3.827 2.044 -4.774 1.00 0.00 C ATOM 533 CG HIS B 114 -3.891 3.541 -4.650 1.00 0.00 C ATOM 534 ND1 HIS B 114 -4.583 4.169 -3.625 1.00 0.00 N ATOM 535 CD2 HIS B 114 -3.355 4.549 -5.412 1.00 0.00 C ATOM 536 CE1 HIS B 114 -4.446 5.496 -3.798 1.00 0.00 C ATOM 537 NE2 HIS B 114 -3.707 5.783 -4.872 1.00 0.00 N ATOM 0 H HIS B 114 -6.580 2.259 -4.889 1.00 0.00 H new ATOM 0 HA HIS B 114 -4.354 1.727 -6.838 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -4.076 1.578 -3.820 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -2.813 1.732 -5.026 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -2.752 4.406 -6.296 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -4.881 6.239 -3.147 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -3.455 6.707 -5.222 1.00 0.00 H new ATOM 545 N LYS B 115 -4.333 -0.775 -6.221 1.00 0.00 N ATOM 546 CA LYS B 115 -4.597 -2.233 -6.062 1.00 0.00 C ATOM 547 C LYS B 115 -4.851 -2.552 -4.586 1.00 0.00 C ATOM 548 O LYS B 115 -3.983 -2.400 -3.750 1.00 0.00 O ATOM 549 CB LYS B 115 -3.383 -3.027 -6.552 1.00 0.00 C ATOM 550 CG LYS B 115 -3.803 -4.468 -6.852 1.00 0.00 C ATOM 551 CD LYS B 115 -3.495 -5.353 -5.643 1.00 0.00 C ATOM 552 CE LYS B 115 -2.101 -5.964 -5.799 1.00 0.00 C ATOM 553 NZ LYS B 115 -1.992 -7.179 -4.942 1.00 0.00 N ATOM 0 H LYS B 115 -3.516 -0.540 -6.785 1.00 0.00 H new ATOM 0 HA LYS B 115 -5.474 -2.507 -6.648 1.00 0.00 H new ATOM 0 HB2 LYS B 115 -2.969 -2.564 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS B 115 -2.598 -3.016 -5.796 1.00 0.00 H new ATOM 0 HG2 LYS B 115 -4.868 -4.507 -7.082 1.00 0.00 H new ATOM 0 HG3 LYS B 115 -3.273 -4.837 -7.730 1.00 0.00 H new ATOM 0 HD2 LYS B 115 -3.545 -4.765 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS B 115 -4.242 -6.142 -5.557 1.00 0.00 H new ATOM 0 HE2 LYS B 115 -1.921 -6.224 -6.842 1.00 0.00 H new ATOM 0 HE3 LYS B 115 -1.340 -5.237 -5.516 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 -1.045 -7.595 -5.048 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 -2.146 -6.917 -3.947 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 -2.709 -7.874 -5.232 1.00 0.00 H new ATOM 567 N GLY B 116 -6.034 -2.998 -4.261 1.00 0.00 N ATOM 568 CA GLY B 116 -6.343 -3.329 -2.841 1.00 0.00 C ATOM 569 C GLY B 116 -7.558 -2.526 -2.375 1.00 0.00 C ATOM 570 O GLY B 116 -8.042 -2.699 -1.274 1.00 0.00 O ATOM 0 H GLY B 116 -6.800 -3.147 -4.918 1.00 0.00 H new ATOM 0 HA2 GLY B 116 -6.541 -4.396 -2.741 1.00 0.00 H new ATOM 0 HA3 GLY B 116 -5.483 -3.104 -2.210 1.00 0.00 H new ATOM 574 N GLU B 117 -8.056 -1.648 -3.202 1.00 0.00 N ATOM 575 CA GLU B 117 -9.240 -0.834 -2.802 1.00 0.00 C ATOM 576 C GLU B 117 -10.496 -1.709 -2.833 1.00 0.00 C ATOM 577 O GLU B 117 -10.590 -2.651 -3.595 1.00 0.00 O ATOM 578 CB GLU B 117 -9.410 0.331 -3.778 1.00 0.00 C ATOM 579 CG GLU B 117 -9.192 1.654 -3.041 1.00 0.00 C ATOM 580 CD GLU B 117 -10.476 2.483 -3.090 1.00 0.00 C ATOM 581 OE1 GLU B 117 -11.539 1.903 -2.935 1.00 0.00 O ATOM 582 OE2 GLU B 117 -10.377 3.684 -3.281 1.00 0.00 O ATOM 0 H GLU B 117 -7.695 -1.459 -4.137 1.00 0.00 H new ATOM 0 HA GLU B 117 -9.090 -0.447 -1.794 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -8.698 0.238 -4.598 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -10.407 0.308 -4.217 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -8.909 1.463 -2.006 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -8.372 2.207 -3.499 1.00 0.00 H new ATOM 589 N LYS B 118 -11.465 -1.402 -2.013 1.00 0.00 N ATOM 590 CA LYS B 118 -12.716 -2.212 -1.997 1.00 0.00 C ATOM 591 C LYS B 118 -13.789 -1.504 -2.830 1.00 0.00 C ATOM 592 O LYS B 118 -13.896 -0.294 -2.821 1.00 0.00 O ATOM 593 CB LYS B 118 -13.205 -2.364 -0.555 1.00 0.00 C ATOM 594 CG LYS B 118 -12.864 -3.765 -0.044 1.00 0.00 C ATOM 595 CD LYS B 118 -11.428 -3.783 0.484 1.00 0.00 C ATOM 596 CE LYS B 118 -11.429 -4.198 1.956 1.00 0.00 C ATOM 597 NZ LYS B 118 -10.509 -3.311 2.726 1.00 0.00 N ATOM 0 H LYS B 118 -11.444 -0.624 -1.353 1.00 0.00 H new ATOM 0 HA LYS B 118 -12.520 -3.198 -2.419 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -12.738 -1.611 0.080 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -14.281 -2.200 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -13.557 -4.053 0.747 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -12.976 -4.493 -0.847 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -10.824 -4.477 -0.100 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -10.977 -2.797 0.374 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -12.438 -4.132 2.362 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -11.114 -5.237 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -10.511 -3.594 3.727 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -9.545 -3.395 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -10.829 -2.325 2.645 1.00 0.00 H new ATOM 611 N PHE B 119 -14.585 -2.248 -3.553 1.00 0.00 N ATOM 612 CA PHE B 119 -15.646 -1.608 -4.384 1.00 0.00 C ATOM 613 C PHE B 119 -16.933 -2.434 -4.308 1.00 0.00 C ATOM 614 O PHE B 119 -16.909 -3.623 -4.063 1.00 0.00 O ATOM 615 CB PHE B 119 -15.184 -1.546 -5.843 1.00 0.00 C ATOM 616 CG PHE B 119 -14.118 -0.490 -6.001 1.00 0.00 C ATOM 617 CD1 PHE B 119 -14.480 0.840 -6.250 1.00 0.00 C ATOM 618 CD2 PHE B 119 -12.768 -0.843 -5.909 1.00 0.00 C ATOM 619 CE1 PHE B 119 -13.489 1.817 -6.403 1.00 0.00 C ATOM 620 CE2 PHE B 119 -11.778 0.133 -6.062 1.00 0.00 C ATOM 621 CZ PHE B 119 -12.138 1.463 -6.309 1.00 0.00 C ATOM 0 H PHE B 119 -14.546 -3.266 -3.604 1.00 0.00 H new ATOM 0 HA PHE B 119 -15.833 -0.602 -4.009 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -14.795 -2.516 -6.152 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -16.030 -1.321 -6.492 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -15.523 1.112 -6.324 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -12.490 -1.869 -5.720 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -13.767 2.843 -6.593 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -10.735 -0.140 -5.990 1.00 0.00 H new ATOM 0 HZ PHE B 119 -11.373 2.216 -6.427 1.00 0.00 H new ATOM 631 N GLN B 120 -18.057 -1.808 -4.534 1.00 0.00 N ATOM 632 CA GLN B 120 -19.350 -2.549 -4.495 1.00 0.00 C ATOM 633 C GLN B 120 -20.021 -2.438 -5.867 1.00 0.00 C ATOM 634 O GLN B 120 -20.611 -1.429 -6.199 1.00 0.00 O ATOM 635 CB GLN B 120 -20.260 -1.937 -3.428 1.00 0.00 C ATOM 636 CG GLN B 120 -19.665 -2.186 -2.041 1.00 0.00 C ATOM 637 CD GLN B 120 -20.765 -2.071 -0.982 1.00 0.00 C ATOM 638 OE1 GLN B 120 -20.623 -2.576 0.114 1.00 0.00 O ATOM 639 NE2 GLN B 120 -21.863 -1.424 -1.264 1.00 0.00 N ATOM 0 H GLN B 120 -18.135 -0.813 -4.744 1.00 0.00 H new ATOM 0 HA GLN B 120 -19.171 -3.596 -4.252 1.00 0.00 H new ATOM 0 HB2 GLN B 120 -20.370 -0.866 -3.600 1.00 0.00 H new ATOM 0 HB3 GLN B 120 -21.256 -2.374 -3.491 1.00 0.00 H new ATOM 0 HG2 GLN B 120 -19.210 -3.176 -2.002 1.00 0.00 H new ATOM 0 HG3 GLN B 120 -18.874 -1.464 -1.838 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -21.983 -1.000 -2.184 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -22.601 -1.343 -0.565 1.00 0.00 H new ATOM 648 N ILE B 121 -19.920 -3.460 -6.672 1.00 0.00 N ATOM 649 CA ILE B 121 -20.535 -3.405 -8.029 1.00 0.00 C ATOM 650 C ILE B 121 -22.059 -3.329 -7.920 1.00 0.00 C ATOM 651 O ILE B 121 -22.697 -4.190 -7.347 1.00 0.00 O ATOM 652 CB ILE B 121 -20.149 -4.658 -8.819 1.00 0.00 C ATOM 653 CG1 ILE B 121 -18.625 -4.730 -8.958 1.00 0.00 C ATOM 654 CG2 ILE B 121 -20.783 -4.599 -10.210 1.00 0.00 C ATOM 655 CD1 ILE B 121 -18.076 -3.359 -9.355 1.00 0.00 C ATOM 0 H ILE B 121 -19.438 -4.331 -6.449 1.00 0.00 H new ATOM 0 HA ILE B 121 -20.169 -2.516 -8.543 1.00 0.00 H new ATOM 0 HB ILE B 121 -20.507 -5.542 -8.291 1.00 0.00 H new ATOM 0 HG12 ILE B 121 -18.180 -5.052 -8.017 1.00 0.00 H new ATOM 0 HG13 ILE B 121 -18.354 -5.472 -9.709 1.00 0.00 H new ATOM 0 HG21 ILE B 121 -20.508 -5.491 -10.773 1.00 0.00 H new ATOM 0 HG22 ILE B 121 -21.868 -4.550 -10.114 1.00 0.00 H new ATOM 0 HG23 ILE B 121 -20.425 -3.714 -10.736 1.00 0.00 H new ATOM 0 HD11 ILE B 121 -16.992 -3.416 -9.453 1.00 0.00 H new ATOM 0 HD12 ILE B 121 -18.511 -3.055 -10.307 1.00 0.00 H new ATOM 0 HD13 ILE B 121 -18.334 -2.628 -8.589 1.00 0.00 H new ATOM 667 N LEU B 122 -22.649 -2.308 -8.482 1.00 0.00 N ATOM 668 CA LEU B 122 -24.133 -2.178 -8.432 1.00 0.00 C ATOM 669 C LEU B 122 -24.704 -2.567 -9.796 1.00 0.00 C ATOM 670 O LEU B 122 -25.709 -3.244 -9.895 1.00 0.00 O ATOM 671 CB LEU B 122 -24.516 -0.731 -8.113 1.00 0.00 C ATOM 672 CG LEU B 122 -23.442 -0.092 -7.232 1.00 0.00 C ATOM 673 CD1 LEU B 122 -23.682 1.417 -7.149 1.00 0.00 C ATOM 674 CD2 LEU B 122 -23.512 -0.695 -5.829 1.00 0.00 C ATOM 0 H LEU B 122 -22.165 -1.557 -8.975 1.00 0.00 H new ATOM 0 HA LEU B 122 -24.535 -2.831 -7.657 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -24.627 -0.163 -9.036 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -25.480 -0.704 -7.604 1.00 0.00 H new ATOM 0 HG LEU B 122 -22.458 -0.281 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -22.917 1.873 -6.521 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -23.635 1.848 -8.149 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -24.665 1.606 -6.718 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -22.747 -0.241 -5.199 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -24.496 -0.504 -5.400 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -23.343 -1.770 -5.886 1.00 0.00 H new ATOM 686 N ASN B 123 -24.059 -2.144 -10.848 1.00 0.00 N ATOM 687 CA ASN B 123 -24.544 -2.483 -12.216 1.00 0.00 C ATOM 688 C ASN B 123 -23.378 -3.041 -13.035 1.00 0.00 C ATOM 689 O ASN B 123 -22.323 -2.443 -13.111 1.00 0.00 O ATOM 690 CB ASN B 123 -25.084 -1.222 -12.895 1.00 0.00 C ATOM 691 CG ASN B 123 -26.120 -1.613 -13.952 1.00 0.00 C ATOM 692 OD1 ASN B 123 -27.276 -1.815 -13.639 1.00 0.00 O ATOM 693 ND2 ASN B 123 -25.752 -1.727 -15.199 1.00 0.00 N ATOM 0 H ASN B 123 -23.213 -1.575 -10.819 1.00 0.00 H new ATOM 0 HA ASN B 123 -25.339 -3.226 -12.150 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -25.536 -0.563 -12.154 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -24.268 -0.668 -13.358 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -26.435 -1.986 -15.911 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -24.781 -1.557 -15.462 1.00 0.00 H new ATOM 700 N SER B 124 -23.554 -4.180 -13.645 1.00 0.00 N ATOM 701 CA SER B 124 -22.445 -4.765 -14.452 1.00 0.00 C ATOM 702 C SER B 124 -23.005 -5.811 -15.416 1.00 0.00 C ATOM 703 O SER B 124 -22.699 -6.983 -15.322 1.00 0.00 O ATOM 704 CB SER B 124 -21.431 -5.425 -13.518 1.00 0.00 C ATOM 705 OG SER B 124 -22.098 -6.374 -12.696 1.00 0.00 O ATOM 0 H SER B 124 -24.413 -4.729 -13.621 1.00 0.00 H new ATOM 0 HA SER B 124 -21.957 -3.974 -15.022 1.00 0.00 H new ATOM 0 HB2 SER B 124 -20.650 -5.915 -14.099 1.00 0.00 H new ATOM 0 HB3 SER B 124 -20.943 -4.671 -12.900 1.00 0.00 H new ATOM 0 HG SER B 124 -22.548 -7.037 -13.261 1.00 0.00 H new ATOM 744 N ASP B 128 -18.124 -2.830 -21.092 1.00 0.00 N ATOM 745 CA ASP B 128 -16.998 -3.602 -20.493 1.00 0.00 C ATOM 746 C ASP B 128 -16.652 -3.018 -19.122 1.00 0.00 C ATOM 747 O ASP B 128 -15.909 -3.602 -18.358 1.00 0.00 O ATOM 748 CB ASP B 128 -15.775 -3.513 -21.408 1.00 0.00 C ATOM 749 CG ASP B 128 -15.643 -4.809 -22.210 1.00 0.00 C ATOM 750 OD1 ASP B 128 -16.463 -5.689 -22.015 1.00 0.00 O ATOM 751 OD2 ASP B 128 -14.723 -4.898 -23.006 1.00 0.00 O ATOM 0 HA ASP B 128 -17.292 -4.645 -20.380 1.00 0.00 H new ATOM 0 HB2 ASP B 128 -15.874 -2.663 -22.083 1.00 0.00 H new ATOM 0 HB3 ASP B 128 -14.875 -3.346 -20.815 1.00 0.00 H new ATOM 756 N TRP B 129 -17.185 -1.871 -18.804 1.00 0.00 N ATOM 757 CA TRP B 129 -16.885 -1.254 -17.482 1.00 0.00 C ATOM 758 C TRP B 129 -18.132 -1.311 -16.599 1.00 0.00 C ATOM 759 O TRP B 129 -19.246 -1.250 -17.078 1.00 0.00 O ATOM 760 CB TRP B 129 -16.462 0.202 -17.683 1.00 0.00 C ATOM 761 CG TRP B 129 -15.040 0.246 -18.141 1.00 0.00 C ATOM 762 CD1 TRP B 129 -14.516 -0.532 -19.116 1.00 0.00 C ATOM 763 CD2 TRP B 129 -13.955 1.093 -17.665 1.00 0.00 C ATOM 764 NE1 TRP B 129 -13.178 -0.217 -19.267 1.00 0.00 N ATOM 765 CE2 TRP B 129 -12.785 0.780 -18.396 1.00 0.00 C ATOM 766 CE3 TRP B 129 -13.873 2.093 -16.679 1.00 0.00 C ATOM 767 CZ2 TRP B 129 -11.576 1.435 -18.157 1.00 0.00 C ATOM 768 CZ3 TRP B 129 -12.657 2.754 -16.437 1.00 0.00 C ATOM 769 CH2 TRP B 129 -11.511 2.425 -17.176 1.00 0.00 C ATOM 0 H TRP B 129 -17.814 -1.335 -19.401 1.00 0.00 H new ATOM 0 HA TRP B 129 -16.075 -1.801 -16.999 1.00 0.00 H new ATOM 0 HB2 TRP B 129 -17.108 0.682 -18.419 1.00 0.00 H new ATOM 0 HB3 TRP B 129 -16.573 0.757 -16.751 1.00 0.00 H new ATOM 0 HD1 TRP B 129 -15.054 -1.277 -19.683 1.00 0.00 H new ATOM 0 HE1 TRP B 129 -12.557 -0.666 -19.940 1.00 0.00 H new ATOM 0 HE3 TRP B 129 -14.750 2.354 -16.105 1.00 0.00 H new ATOM 0 HZ2 TRP B 129 -10.696 1.177 -18.728 1.00 0.00 H new ATOM 0 HZ3 TRP B 129 -12.604 3.520 -15.677 1.00 0.00 H new ATOM 0 HH2 TRP B 129 -10.579 2.937 -16.986 1.00 0.00 H new ATOM 780 N TRP B 130 -17.953 -1.432 -15.313 1.00 0.00 N ATOM 781 CA TRP B 130 -19.129 -1.497 -14.400 1.00 0.00 C ATOM 782 C TRP B 130 -19.109 -0.296 -13.452 1.00 0.00 C ATOM 783 O TRP B 130 -18.119 0.394 -13.328 1.00 0.00 O ATOM 784 CB TRP B 130 -19.064 -2.783 -13.575 1.00 0.00 C ATOM 785 CG TRP B 130 -18.949 -3.966 -14.483 1.00 0.00 C ATOM 786 CD1 TRP B 130 -19.340 -3.996 -15.777 1.00 0.00 C ATOM 787 CD2 TRP B 130 -18.417 -5.287 -14.183 1.00 0.00 C ATOM 788 NE1 TRP B 130 -19.084 -5.256 -16.290 1.00 0.00 N ATOM 789 CE2 TRP B 130 -18.514 -6.087 -15.347 1.00 0.00 C ATOM 790 CE3 TRP B 130 -17.866 -5.862 -13.026 1.00 0.00 C ATOM 791 CZ2 TRP B 130 -18.079 -7.412 -15.360 1.00 0.00 C ATOM 792 CZ3 TRP B 130 -17.427 -7.196 -13.035 1.00 0.00 C ATOM 793 CH2 TRP B 130 -17.533 -7.970 -14.200 1.00 0.00 C ATOM 0 H TRP B 130 -17.044 -1.489 -14.855 1.00 0.00 H new ATOM 0 HA TRP B 130 -20.044 -1.484 -14.992 1.00 0.00 H new ATOM 0 HB2 TRP B 130 -18.210 -2.749 -12.899 1.00 0.00 H new ATOM 0 HB3 TRP B 130 -19.957 -2.874 -12.956 1.00 0.00 H new ATOM 0 HD1 TRP B 130 -19.780 -3.173 -16.321 1.00 0.00 H new ATOM 0 HE1 TRP B 130 -19.291 -5.536 -17.249 1.00 0.00 H new ATOM 0 HE3 TRP B 130 -17.779 -5.275 -12.124 1.00 0.00 H new ATOM 0 HZ2 TRP B 130 -18.163 -8.003 -16.260 1.00 0.00 H new ATOM 0 HZ3 TRP B 130 -17.005 -7.628 -12.140 1.00 0.00 H new ATOM 0 HH2 TRP B 130 -17.193 -8.995 -14.201 1.00 0.00 H new ATOM 804 N GLU B 131 -20.196 -0.051 -12.772 1.00 0.00 N ATOM 805 CA GLU B 131 -20.238 1.094 -11.820 1.00 0.00 C ATOM 806 C GLU B 131 -20.047 0.560 -10.399 1.00 0.00 C ATOM 807 O GLU B 131 -20.850 -0.204 -9.902 1.00 0.00 O ATOM 808 CB GLU B 131 -21.590 1.804 -11.927 1.00 0.00 C ATOM 809 CG GLU B 131 -22.682 0.925 -11.317 1.00 0.00 C ATOM 810 CD GLU B 131 -24.051 1.399 -11.807 1.00 0.00 C ATOM 811 OE1 GLU B 131 -24.192 1.600 -13.003 1.00 0.00 O ATOM 812 OE2 GLU B 131 -24.933 1.555 -10.980 1.00 0.00 O ATOM 0 H GLU B 131 -21.057 -0.595 -12.835 1.00 0.00 H new ATOM 0 HA GLU B 131 -19.446 1.804 -12.059 1.00 0.00 H new ATOM 0 HB2 GLU B 131 -21.550 2.763 -11.410 1.00 0.00 H new ATOM 0 HB3 GLU B 131 -21.820 2.014 -12.972 1.00 0.00 H new ATOM 0 HG2 GLU B 131 -22.524 -0.116 -11.597 1.00 0.00 H new ATOM 0 HG3 GLU B 131 -22.637 0.973 -10.229 1.00 0.00 H new ATOM 819 N ALA B 132 -18.985 0.944 -9.746 1.00 0.00 N ATOM 820 CA ALA B 132 -18.744 0.444 -8.363 1.00 0.00 C ATOM 821 C ALA B 132 -18.766 1.612 -7.377 1.00 0.00 C ATOM 822 O ALA B 132 -18.506 2.744 -7.732 1.00 0.00 O ATOM 823 CB ALA B 132 -17.380 -0.246 -8.306 1.00 0.00 C ATOM 0 H ALA B 132 -18.275 1.581 -10.109 1.00 0.00 H new ATOM 0 HA ALA B 132 -19.527 -0.265 -8.094 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -17.200 -0.613 -7.296 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -17.366 -1.083 -9.004 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -16.601 0.466 -8.578 1.00 0.00 H new ATOM 829 N ARG B 133 -19.075 1.344 -6.138 1.00 0.00 N ATOM 830 CA ARG B 133 -19.116 2.435 -5.124 1.00 0.00 C ATOM 831 C ARG B 133 -17.963 2.250 -4.134 1.00 0.00 C ATOM 832 O ARG B 133 -17.698 1.158 -3.674 1.00 0.00 O ATOM 833 CB ARG B 133 -20.449 2.380 -4.374 1.00 0.00 C ATOM 834 CG ARG B 133 -20.551 3.567 -3.414 1.00 0.00 C ATOM 835 CD ARG B 133 -21.015 3.075 -2.041 1.00 0.00 C ATOM 836 NE ARG B 133 -21.797 4.147 -1.364 1.00 0.00 N ATOM 837 CZ ARG B 133 -22.535 3.859 -0.326 1.00 0.00 C ATOM 838 NH1 ARG B 133 -22.200 2.870 0.457 1.00 0.00 N ATOM 839 NH2 ARG B 133 -23.608 4.557 -0.074 1.00 0.00 N ATOM 0 H ARG B 133 -19.301 0.415 -5.784 1.00 0.00 H new ATOM 0 HA ARG B 133 -19.018 3.401 -5.620 1.00 0.00 H new ATOM 0 HB2 ARG B 133 -21.277 2.401 -5.083 1.00 0.00 H new ATOM 0 HB3 ARG B 133 -20.527 1.444 -3.820 1.00 0.00 H new ATOM 0 HG2 ARG B 133 -19.584 4.062 -3.327 1.00 0.00 H new ATOM 0 HG3 ARG B 133 -21.253 4.304 -3.804 1.00 0.00 H new ATOM 0 HD2 ARG B 133 -21.627 2.180 -2.152 1.00 0.00 H new ATOM 0 HD3 ARG B 133 -20.154 2.799 -1.432 1.00 0.00 H new ATOM 0 HE ARG B 133 -21.756 5.105 -1.711 1.00 0.00 H new ATOM 0 HH11 ARG B 133 -21.362 2.323 0.258 1.00 0.00 H new ATOM 0 HH12 ARG B 133 -22.776 2.644 1.268 1.00 0.00 H new ATOM 0 HH21 ARG B 133 -23.871 5.328 -0.688 1.00 0.00 H new ATOM 0 HH22 ARG B 133 -24.184 4.332 0.737 1.00 0.00 H new ATOM 853 N SER B 134 -17.272 3.308 -3.807 1.00 0.00 N ATOM 854 CA SER B 134 -16.135 3.187 -2.851 1.00 0.00 C ATOM 855 C SER B 134 -16.672 3.126 -1.420 1.00 0.00 C ATOM 856 O SER B 134 -17.361 4.018 -0.965 1.00 0.00 O ATOM 857 CB SER B 134 -15.213 4.397 -2.997 1.00 0.00 C ATOM 858 OG SER B 134 -14.317 4.176 -4.079 1.00 0.00 O ATOM 0 H SER B 134 -17.445 4.249 -4.160 1.00 0.00 H new ATOM 0 HA SER B 134 -15.577 2.276 -3.068 1.00 0.00 H new ATOM 0 HB2 SER B 134 -15.801 5.298 -3.174 1.00 0.00 H new ATOM 0 HB3 SER B 134 -14.655 4.557 -2.074 1.00 0.00 H new ATOM 0 HG SER B 134 -14.485 3.292 -4.468 1.00 0.00 H new ATOM 864 N LEU B 135 -16.360 2.078 -0.705 1.00 0.00 N ATOM 865 CA LEU B 135 -16.853 1.958 0.698 1.00 0.00 C ATOM 866 C LEU B 135 -16.018 2.851 1.620 1.00 0.00 C ATOM 867 O LEU B 135 -16.198 2.855 2.822 1.00 0.00 O ATOM 868 CB LEU B 135 -16.733 0.504 1.159 1.00 0.00 C ATOM 869 CG LEU B 135 -17.853 -0.327 0.530 1.00 0.00 C ATOM 870 CD1 LEU B 135 -17.410 -1.788 0.430 1.00 0.00 C ATOM 871 CD2 LEU B 135 -19.107 -0.233 1.402 1.00 0.00 C ATOM 0 H LEU B 135 -15.786 1.301 -1.031 1.00 0.00 H new ATOM 0 HA LEU B 135 -17.896 2.271 0.738 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -15.762 0.100 0.873 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -16.793 0.450 2.246 1.00 0.00 H new ATOM 0 HG LEU B 135 -18.073 0.054 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -18.208 -2.380 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -16.516 -1.856 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -17.190 -2.171 1.427 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -19.906 -0.825 0.955 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -18.887 -0.615 2.399 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -19.423 0.808 1.474 1.00 0.00 H new ATOM 883 N THR B 136 -15.105 3.607 1.072 1.00 0.00 N ATOM 884 CA THR B 136 -14.264 4.494 1.927 1.00 0.00 C ATOM 885 C THR B 136 -14.661 5.956 1.699 1.00 0.00 C ATOM 886 O THR B 136 -15.120 6.630 2.598 1.00 0.00 O ATOM 887 CB THR B 136 -12.789 4.304 1.564 1.00 0.00 C ATOM 888 OG1 THR B 136 -12.450 2.928 1.673 1.00 0.00 O ATOM 889 CG2 THR B 136 -11.917 5.123 2.517 1.00 0.00 C ATOM 0 H THR B 136 -14.905 3.649 0.073 1.00 0.00 H new ATOM 0 HA THR B 136 -14.418 4.237 2.975 1.00 0.00 H new ATOM 0 HB THR B 136 -12.620 4.641 0.541 1.00 0.00 H new ATOM 0 HG1 THR B 136 -11.506 2.804 1.439 1.00 0.00 H new ATOM 0 HG21 THR B 136 -10.867 4.987 2.257 1.00 0.00 H new ATOM 0 HG22 THR B 136 -12.178 6.178 2.433 1.00 0.00 H new ATOM 0 HG23 THR B 136 -12.084 4.789 3.541 1.00 0.00 H new ATOM 897 N THR B 137 -14.484 6.450 0.504 1.00 0.00 N ATOM 898 CA THR B 137 -14.848 7.868 0.223 1.00 0.00 C ATOM 899 C THR B 137 -16.369 7.996 0.109 1.00 0.00 C ATOM 900 O THR B 137 -16.932 9.046 0.348 1.00 0.00 O ATOM 901 CB THR B 137 -14.201 8.309 -1.092 1.00 0.00 C ATOM 902 OG1 THR B 137 -14.846 7.657 -2.177 1.00 0.00 O ATOM 903 CG2 THR B 137 -12.717 7.941 -1.083 1.00 0.00 C ATOM 0 H THR B 137 -14.104 5.934 -0.289 1.00 0.00 H new ATOM 0 HA THR B 137 -14.491 8.500 1.036 1.00 0.00 H new ATOM 0 HB THR B 137 -14.304 9.388 -1.203 1.00 0.00 H new ATOM 0 HG1 THR B 137 -14.434 7.940 -3.020 1.00 0.00 H new ATOM 0 HG21 THR B 137 -12.258 8.256 -2.020 1.00 0.00 H new ATOM 0 HG22 THR B 137 -12.223 8.442 -0.251 1.00 0.00 H new ATOM 0 HG23 THR B 137 -12.610 6.862 -0.971 1.00 0.00 H new ATOM 911 N GLY B 138 -17.038 6.938 -0.256 1.00 0.00 N ATOM 912 CA GLY B 138 -18.522 7.006 -0.385 1.00 0.00 C ATOM 913 C GLY B 138 -18.891 7.415 -1.812 1.00 0.00 C ATOM 914 O GLY B 138 -19.984 7.164 -2.278 1.00 0.00 O ATOM 0 H GLY B 138 -16.623 6.031 -0.470 1.00 0.00 H new ATOM 0 HA2 GLY B 138 -18.963 6.038 -0.147 1.00 0.00 H new ATOM 0 HA3 GLY B 138 -18.927 7.725 0.327 1.00 0.00 H new ATOM 918 N GLU B 139 -17.985 8.046 -2.509 1.00 0.00 N ATOM 919 CA GLU B 139 -18.283 8.470 -3.905 1.00 0.00 C ATOM 920 C GLU B 139 -18.303 7.241 -4.817 1.00 0.00 C ATOM 921 O GLU B 139 -17.475 6.360 -4.704 1.00 0.00 O ATOM 922 CB GLU B 139 -17.203 9.445 -4.383 1.00 0.00 C ATOM 923 CG GLU B 139 -17.152 10.650 -3.444 1.00 0.00 C ATOM 924 CD GLU B 139 -16.163 11.681 -3.992 1.00 0.00 C ATOM 925 OE1 GLU B 139 -15.039 11.301 -4.274 1.00 0.00 O ATOM 926 OE2 GLU B 139 -16.547 12.832 -4.118 1.00 0.00 O ATOM 0 H GLU B 139 -17.053 8.286 -2.172 1.00 0.00 H new ATOM 0 HA GLU B 139 -19.255 8.962 -3.937 1.00 0.00 H new ATOM 0 HB2 GLU B 139 -16.233 8.947 -4.406 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -17.418 9.772 -5.400 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -18.143 11.094 -3.351 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -16.849 10.334 -2.446 1.00 0.00 H new ATOM 933 N THR B 140 -19.244 7.174 -5.719 1.00 0.00 N ATOM 934 CA THR B 140 -19.315 6.001 -6.634 1.00 0.00 C ATOM 935 C THR B 140 -19.032 6.451 -8.070 1.00 0.00 C ATOM 936 O THR B 140 -19.256 7.590 -8.429 1.00 0.00 O ATOM 937 CB THR B 140 -20.711 5.379 -6.557 1.00 0.00 C ATOM 938 OG1 THR B 140 -20.694 4.103 -7.182 1.00 0.00 O ATOM 939 CG2 THR B 140 -21.717 6.285 -7.270 1.00 0.00 C ATOM 0 H THR B 140 -19.966 7.880 -5.861 1.00 0.00 H new ATOM 0 HA THR B 140 -18.571 5.262 -6.335 1.00 0.00 H new ATOM 0 HB THR B 140 -21.002 5.269 -5.512 1.00 0.00 H new ATOM 0 HG1 THR B 140 -19.781 3.892 -7.470 1.00 0.00 H new ATOM 0 HG21 THR B 140 -22.711 5.840 -7.214 1.00 0.00 H new ATOM 0 HG22 THR B 140 -21.730 7.263 -6.790 1.00 0.00 H new ATOM 0 HG23 THR B 140 -21.428 6.398 -8.315 1.00 0.00 H new ATOM 947 N GLY B 141 -18.543 5.564 -8.894 1.00 0.00 N ATOM 948 CA GLY B 141 -18.245 5.939 -10.305 1.00 0.00 C ATOM 949 C GLY B 141 -18.183 4.677 -11.170 1.00 0.00 C ATOM 950 O GLY B 141 -18.846 3.694 -10.898 1.00 0.00 O ATOM 0 H GLY B 141 -18.337 4.595 -8.650 1.00 0.00 H new ATOM 0 HA2 GLY B 141 -19.013 6.613 -10.683 1.00 0.00 H new ATOM 0 HA3 GLY B 141 -17.297 6.475 -10.357 1.00 0.00 H new ATOM 954 N TYR B 142 -17.396 4.695 -12.212 1.00 0.00 N ATOM 955 CA TYR B 142 -17.298 3.496 -13.093 1.00 0.00 C ATOM 956 C TYR B 142 -15.834 3.064 -13.216 1.00 0.00 C ATOM 957 O TYR B 142 -14.966 3.857 -13.521 1.00 0.00 O ATOM 958 CB TYR B 142 -17.846 3.837 -14.480 1.00 0.00 C ATOM 959 CG TYR B 142 -19.268 4.333 -14.354 1.00 0.00 C ATOM 960 CD1 TYR B 142 -19.517 5.686 -14.099 1.00 0.00 C ATOM 961 CD2 TYR B 142 -20.335 3.438 -14.495 1.00 0.00 C ATOM 962 CE1 TYR B 142 -20.835 6.146 -13.984 1.00 0.00 C ATOM 963 CE2 TYR B 142 -21.652 3.897 -14.381 1.00 0.00 C ATOM 964 CZ TYR B 142 -21.903 5.252 -14.124 1.00 0.00 C ATOM 965 OH TYR B 142 -23.201 5.705 -14.011 1.00 0.00 O ATOM 0 H TYR B 142 -16.817 5.487 -12.491 1.00 0.00 H new ATOM 0 HA TYR B 142 -17.879 2.682 -12.660 1.00 0.00 H new ATOM 0 HB2 TYR B 142 -17.225 4.599 -14.951 1.00 0.00 H new ATOM 0 HB3 TYR B 142 -17.812 2.957 -15.122 1.00 0.00 H new ATOM 0 HD1 TYR B 142 -18.693 6.376 -13.991 1.00 0.00 H new ATOM 0 HD2 TYR B 142 -20.142 2.394 -14.692 1.00 0.00 H new ATOM 0 HE1 TYR B 142 -21.027 7.190 -13.787 1.00 0.00 H new ATOM 0 HE2 TYR B 142 -22.475 3.207 -14.491 1.00 0.00 H new ATOM 0 HH TYR B 142 -23.821 4.956 -14.136 1.00 0.00 H new ATOM 975 N ILE B 143 -15.556 1.808 -12.984 1.00 0.00 N ATOM 976 CA ILE B 143 -14.151 1.322 -13.090 1.00 0.00 C ATOM 977 C ILE B 143 -14.102 0.087 -13.994 1.00 0.00 C ATOM 978 O ILE B 143 -15.111 -0.549 -14.228 1.00 0.00 O ATOM 979 CB ILE B 143 -13.632 0.938 -11.703 1.00 0.00 C ATOM 980 CG1 ILE B 143 -14.638 0.005 -11.024 1.00 0.00 C ATOM 981 CG2 ILE B 143 -13.450 2.199 -10.853 1.00 0.00 C ATOM 982 CD1 ILE B 143 -13.893 -1.169 -10.385 1.00 0.00 C ATOM 0 H ILE B 143 -16.242 1.099 -12.726 1.00 0.00 H new ATOM 0 HA ILE B 143 -13.532 2.115 -13.510 1.00 0.00 H new ATOM 0 HB ILE B 143 -12.673 0.430 -11.803 1.00 0.00 H new ATOM 0 HG12 ILE B 143 -15.200 0.549 -10.265 1.00 0.00 H new ATOM 0 HG13 ILE B 143 -15.360 -0.362 -11.754 1.00 0.00 H new ATOM 0 HG21 ILE B 143 -13.080 1.922 -9.866 1.00 0.00 H new ATOM 0 HG22 ILE B 143 -12.733 2.863 -11.336 1.00 0.00 H new ATOM 0 HG23 ILE B 143 -14.407 2.711 -10.752 1.00 0.00 H new ATOM 0 HD11 ILE B 143 -14.608 -1.834 -9.901 1.00 0.00 H new ATOM 0 HD12 ILE B 143 -13.350 -1.718 -11.155 1.00 0.00 H new ATOM 0 HD13 ILE B 143 -13.189 -0.793 -9.643 1.00 0.00 H new ATOM 994 N PRO B 144 -12.920 -0.221 -14.464 1.00 0.00 N ATOM 995 CA PRO B 144 -12.699 -1.389 -15.334 1.00 0.00 C ATOM 996 C PRO B 144 -13.198 -2.661 -14.642 1.00 0.00 C ATOM 997 O PRO B 144 -12.760 -3.004 -13.562 1.00 0.00 O ATOM 998 CB PRO B 144 -11.177 -1.445 -15.530 1.00 0.00 C ATOM 999 CG PRO B 144 -10.559 -0.267 -14.732 1.00 0.00 C ATOM 1000 CD PRO B 144 -11.710 0.567 -14.167 1.00 0.00 C ATOM 0 HA PRO B 144 -13.233 -1.312 -16.281 1.00 0.00 H new ATOM 0 HB2 PRO B 144 -10.780 -2.397 -15.177 1.00 0.00 H new ATOM 0 HB3 PRO B 144 -10.924 -1.366 -16.587 1.00 0.00 H new ATOM 0 HG2 PRO B 144 -9.926 -0.641 -13.927 1.00 0.00 H new ATOM 0 HG3 PRO B 144 -9.926 0.342 -15.378 1.00 0.00 H new ATOM 0 HD2 PRO B 144 -11.594 0.727 -13.095 1.00 0.00 H new ATOM 0 HD3 PRO B 144 -11.753 1.551 -14.634 1.00 0.00 H new ATOM 1008 N SER B 145 -14.114 -3.362 -15.253 1.00 0.00 N ATOM 1009 CA SER B 145 -14.640 -4.603 -14.630 1.00 0.00 C ATOM 1010 C SER B 145 -13.522 -5.646 -14.528 1.00 0.00 C ATOM 1011 O SER B 145 -13.524 -6.486 -13.650 1.00 0.00 O ATOM 1012 CB SER B 145 -15.773 -5.152 -15.495 1.00 0.00 C ATOM 1013 OG SER B 145 -15.264 -5.486 -16.779 1.00 0.00 O ATOM 0 H SER B 145 -14.520 -3.126 -16.159 1.00 0.00 H new ATOM 0 HA SER B 145 -15.012 -4.381 -13.630 1.00 0.00 H new ATOM 0 HB2 SER B 145 -16.211 -6.032 -15.025 1.00 0.00 H new ATOM 0 HB3 SER B 145 -16.567 -4.411 -15.587 1.00 0.00 H new ATOM 0 HG SER B 145 -15.755 -4.988 -17.465 1.00 0.00 H new ATOM 1019 N ASN B 146 -12.568 -5.604 -15.419 1.00 0.00 N ATOM 1020 CA ASN B 146 -11.459 -6.599 -15.368 1.00 0.00 C ATOM 1021 C ASN B 146 -10.519 -6.268 -14.206 1.00 0.00 C ATOM 1022 O ASN B 146 -9.846 -7.130 -13.677 1.00 0.00 O ATOM 1023 CB ASN B 146 -10.675 -6.563 -16.680 1.00 0.00 C ATOM 1024 CG ASN B 146 -9.626 -7.677 -16.676 1.00 0.00 C ATOM 1025 OD1 ASN B 146 -9.925 -8.807 -16.346 1.00 0.00 O ATOM 1026 ND2 ASN B 146 -8.400 -7.403 -17.030 1.00 0.00 N ATOM 0 H ASN B 146 -12.509 -4.925 -16.178 1.00 0.00 H new ATOM 0 HA ASN B 146 -11.879 -7.594 -15.222 1.00 0.00 H new ATOM 0 HB2 ASN B 146 -11.352 -6.689 -17.525 1.00 0.00 H new ATOM 0 HB3 ASN B 146 -10.192 -5.594 -16.801 1.00 0.00 H new ATOM 0 HD21 ASN B 146 -7.693 -8.138 -17.030 1.00 0.00 H new ATOM 0 HD22 ASN B 146 -8.149 -6.454 -17.307 1.00 0.00 H new ATOM 1033 N TYR B 147 -10.465 -5.027 -13.807 1.00 0.00 N ATOM 1034 CA TYR B 147 -9.566 -4.647 -12.681 1.00 0.00 C ATOM 1035 C TYR B 147 -10.227 -5.008 -11.352 1.00 0.00 C ATOM 1036 O TYR B 147 -9.715 -4.704 -10.293 1.00 0.00 O ATOM 1037 CB TYR B 147 -9.300 -3.141 -12.725 1.00 0.00 C ATOM 1038 CG TYR B 147 -7.990 -2.870 -13.433 1.00 0.00 C ATOM 1039 CD1 TYR B 147 -7.431 -3.833 -14.286 1.00 0.00 C ATOM 1040 CD2 TYR B 147 -7.334 -1.649 -13.234 1.00 0.00 C ATOM 1041 CE1 TYR B 147 -6.219 -3.572 -14.937 1.00 0.00 C ATOM 1042 CE2 TYR B 147 -6.123 -1.391 -13.886 1.00 0.00 C ATOM 1043 CZ TYR B 147 -5.566 -2.350 -14.738 1.00 0.00 C ATOM 1044 OH TYR B 147 -4.371 -2.093 -15.379 1.00 0.00 O ATOM 0 H TYR B 147 -11.004 -4.261 -14.211 1.00 0.00 H new ATOM 0 HA TYR B 147 -8.623 -5.186 -12.775 1.00 0.00 H new ATOM 0 HB2 TYR B 147 -10.115 -2.634 -13.242 1.00 0.00 H new ATOM 0 HB3 TYR B 147 -9.266 -2.739 -11.712 1.00 0.00 H new ATOM 0 HD1 TYR B 147 -7.935 -4.775 -14.441 1.00 0.00 H new ATOM 0 HD2 TYR B 147 -7.763 -0.906 -12.577 1.00 0.00 H new ATOM 0 HE1 TYR B 147 -5.788 -4.314 -15.593 1.00 0.00 H new ATOM 0 HE2 TYR B 147 -5.617 -0.449 -13.731 1.00 0.00 H new ATOM 0 HH TYR B 147 -3.626 -2.315 -14.783 1.00 0.00 H new ATOM 1054 N VAL B 148 -11.356 -5.660 -11.393 1.00 0.00 N ATOM 1055 CA VAL B 148 -12.034 -6.043 -10.125 1.00 0.00 C ATOM 1056 C VAL B 148 -12.374 -7.533 -10.169 1.00 0.00 C ATOM 1057 O VAL B 148 -12.599 -8.097 -11.220 1.00 0.00 O ATOM 1058 CB VAL B 148 -13.318 -5.232 -9.956 1.00 0.00 C ATOM 1059 CG1 VAL B 148 -12.969 -3.772 -9.660 1.00 0.00 C ATOM 1060 CG2 VAL B 148 -14.144 -5.309 -11.241 1.00 0.00 C ATOM 0 H VAL B 148 -11.836 -5.943 -12.247 1.00 0.00 H new ATOM 0 HA VAL B 148 -11.371 -5.839 -9.284 1.00 0.00 H new ATOM 0 HB VAL B 148 -13.896 -5.640 -9.127 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -13.886 -3.196 -9.540 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -12.383 -3.717 -8.743 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -12.389 -3.362 -10.486 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -15.060 -4.730 -11.120 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -13.565 -4.903 -12.071 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -14.397 -6.349 -11.449 1.00 0.00 H new ATOM 1070 N ALA B 149 -12.410 -8.174 -9.036 1.00 0.00 N ATOM 1071 CA ALA B 149 -12.734 -9.627 -9.016 1.00 0.00 C ATOM 1072 C ALA B 149 -13.498 -9.961 -7.734 1.00 0.00 C ATOM 1073 O ALA B 149 -13.302 -9.329 -6.716 1.00 0.00 O ATOM 1074 CB ALA B 149 -11.438 -10.439 -9.065 1.00 0.00 C ATOM 0 H ALA B 149 -12.229 -7.756 -8.123 1.00 0.00 H new ATOM 0 HA ALA B 149 -13.350 -9.874 -9.880 1.00 0.00 H new ATOM 0 HB1 ALA B 149 -11.674 -11.503 -9.050 1.00 0.00 H new ATOM 0 HB2 ALA B 149 -10.894 -10.201 -9.979 1.00 0.00 H new ATOM 0 HB3 ALA B 149 -10.821 -10.192 -8.201 1.00 0.00 H new ATOM 1080 N PRO B 150 -14.350 -10.950 -7.823 1.00 0.00 N ATOM 1081 CA PRO B 150 -15.158 -11.390 -6.674 1.00 0.00 C ATOM 1082 C PRO B 150 -14.245 -11.866 -5.542 1.00 0.00 C ATOM 1083 O PRO B 150 -13.311 -12.613 -5.757 1.00 0.00 O ATOM 1084 CB PRO B 150 -16.006 -12.551 -7.211 1.00 0.00 C ATOM 1085 CG PRO B 150 -15.643 -12.748 -8.706 1.00 0.00 C ATOM 1086 CD PRO B 150 -14.574 -11.706 -9.069 1.00 0.00 C ATOM 0 HA PRO B 150 -15.776 -10.589 -6.267 1.00 0.00 H new ATOM 0 HB2 PRO B 150 -15.808 -13.462 -6.646 1.00 0.00 H new ATOM 0 HB3 PRO B 150 -17.068 -12.332 -7.101 1.00 0.00 H new ATOM 0 HG2 PRO B 150 -15.268 -13.757 -8.879 1.00 0.00 H new ATOM 0 HG3 PRO B 150 -16.526 -12.625 -9.333 1.00 0.00 H new ATOM 0 HD2 PRO B 150 -13.656 -12.183 -9.413 1.00 0.00 H new ATOM 0 HD3 PRO B 150 -14.914 -11.053 -9.873 1.00 0.00 H new ATOM 1094 N VAL B 151 -14.506 -11.438 -4.338 1.00 0.00 N ATOM 1095 CA VAL B 151 -13.651 -11.865 -3.196 1.00 0.00 C ATOM 1096 C VAL B 151 -14.100 -13.245 -2.710 1.00 0.00 C ATOM 1097 O VAL B 151 -13.239 -14.069 -2.449 1.00 0.00 O ATOM 1098 CB VAL B 151 -13.785 -10.854 -2.057 1.00 0.00 C ATOM 1099 CG1 VAL B 151 -15.222 -10.864 -1.532 1.00 0.00 C ATOM 1100 CG2 VAL B 151 -12.827 -11.233 -0.926 1.00 0.00 C ATOM 0 H VAL B 151 -15.274 -10.812 -4.096 1.00 0.00 H new ATOM 0 HA VAL B 151 -12.611 -11.915 -3.518 1.00 0.00 H new ATOM 0 HB VAL B 151 -13.540 -9.857 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL B 151 -15.318 -10.143 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL B 151 -15.906 -10.596 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL B 151 -15.468 -11.860 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL B 151 -12.921 -10.513 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL B 151 -13.073 -12.229 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL B 151 -11.803 -11.227 -1.299 1.00 0.00 H new