USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 556 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 30 GLN : amide:sc= -2.61 K(o=-2.6,f=-4.3!) USER MOD Set 1.2: A 32 MET CE :methyl 145:sc=-0.00336 (180deg=-0.0593) USER MOD Single : A 9 LYS NZ :NH3+ -111:sc= -2.15 (180deg=-7.16!) USER MOD Single : A 13 THR OG1 : rot 129:sc= 1.3 USER MOD Single : A 16 LYS NZ :NH3+ -137:sc= -0.994 (180deg=-3.13!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0499 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 155:sc= -0.598 (180deg=-1.62!) USER MOD Single : A 27 TYR OH : rot 30:sc= -0.872 USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= -0.738 (180deg=-0.747) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0519 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 98:sc= 1.14 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -141:sc= -2.09! (180deg=-3.31!) USER MOD Single : A 68 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.58) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.422) USER MOD Single : A 80 GLN : amide:sc= -0.772 K(o=-0.77,f=-1.3) USER MOD Single : A 82 THR OG1 : rot 122:sc= 0.397 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 30:sc= -2.41 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 133 N LYS A 9 2.654 3.906 -12.676 1.00 0.00 N ATOM 134 CA LYS A 9 3.310 4.571 -11.558 1.00 0.00 C ATOM 135 C LYS A 9 2.632 5.901 -11.246 1.00 0.00 C ATOM 136 O LYS A 9 2.551 6.782 -12.102 1.00 0.00 O ATOM 137 CB LYS A 9 4.789 4.801 -11.871 1.00 0.00 C ATOM 138 CG LYS A 9 5.670 3.607 -11.545 1.00 0.00 C ATOM 139 CD LYS A 9 5.713 3.339 -10.049 1.00 0.00 C ATOM 140 CE LYS A 9 4.920 2.095 -9.678 1.00 0.00 C ATOM 141 NZ LYS A 9 5.263 0.933 -10.545 1.00 0.00 N ATOM 0 HA LYS A 9 3.228 3.926 -10.683 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.895 5.043 -12.929 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.141 5.666 -11.309 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.295 2.724 -12.063 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.680 3.787 -11.913 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.748 3.219 -9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.312 4.199 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.114 1.839 -8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.854 2.307 -9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.455 0.708 -11.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.088 1.169 -11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.486 0.110 -9.950 1.00 0.00 H new ATOM 155 N GLU A 10 2.143 6.040 -10.017 1.00 0.00 N ATOM 156 CA GLU A 10 1.470 7.263 -9.599 1.00 0.00 C ATOM 157 C GLU A 10 1.996 7.745 -8.248 1.00 0.00 C ATOM 158 O GLU A 10 2.003 6.994 -7.274 1.00 0.00 O ATOM 159 CB GLU A 10 -0.042 7.036 -9.527 1.00 0.00 C ATOM 160 CG GLU A 10 -0.851 8.071 -10.296 1.00 0.00 C ATOM 161 CD GLU A 10 -0.365 8.259 -11.720 1.00 0.00 C ATOM 162 OE1 GLU A 10 0.544 9.087 -11.934 1.00 0.00 O ATOM 163 OE2 GLU A 10 -0.898 7.579 -12.623 1.00 0.00 O ATOM 0 H GLU A 10 2.201 5.322 -9.295 1.00 0.00 H new ATOM 0 HA GLU A 10 1.679 8.035 -10.339 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.271 6.045 -9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.353 7.047 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.898 7.768 -10.312 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.803 9.025 -9.772 1.00 0.00 H new ATOM 170 N PRO A 11 2.448 9.011 -8.170 1.00 0.00 N ATOM 171 CA PRO A 11 2.976 9.585 -6.935 1.00 0.00 C ATOM 172 C PRO A 11 1.880 10.135 -6.033 1.00 0.00 C ATOM 173 O PRO A 11 0.863 10.639 -6.507 1.00 0.00 O ATOM 174 CB PRO A 11 3.860 10.716 -7.442 1.00 0.00 C ATOM 175 CG PRO A 11 3.208 11.174 -8.703 1.00 0.00 C ATOM 176 CD PRO A 11 2.479 9.983 -9.279 1.00 0.00 C ATOM 0 HA PRO A 11 3.496 8.846 -6.326 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.924 11.525 -6.714 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.877 10.371 -7.626 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.515 11.992 -8.504 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.951 11.550 -9.407 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.473 10.250 -9.604 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.998 9.580 -10.148 1.00 0.00 H new ATOM 184 N ALA A 12 2.096 10.031 -4.728 1.00 0.00 N ATOM 185 CA ALA A 12 1.130 10.513 -3.751 1.00 0.00 C ATOM 186 C ALA A 12 1.750 10.583 -2.361 1.00 0.00 C ATOM 187 O ALA A 12 2.878 10.143 -2.154 1.00 0.00 O ATOM 188 CB ALA A 12 -0.099 9.625 -3.747 1.00 0.00 C ATOM 0 H ALA A 12 2.934 9.616 -4.321 1.00 0.00 H new ATOM 0 HA ALA A 12 0.829 11.522 -4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.814 9.996 -3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.558 9.634 -4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.189 8.606 -3.490 1.00 0.00 H new ATOM 194 N THR A 13 1.013 11.142 -1.409 1.00 0.00 N ATOM 195 CA THR A 13 1.507 11.263 -0.041 1.00 0.00 C ATOM 196 C THR A 13 0.641 10.468 0.932 1.00 0.00 C ATOM 197 O THR A 13 -0.495 10.842 1.221 1.00 0.00 O ATOM 198 CB THR A 13 1.555 12.732 0.381 1.00 0.00 C ATOM 199 OG1 THR A 13 1.574 13.580 -0.754 1.00 0.00 O ATOM 200 CG2 THR A 13 2.764 13.070 1.227 1.00 0.00 C ATOM 0 H THR A 13 0.076 11.517 -1.557 1.00 0.00 H new ATOM 0 HA THR A 13 2.516 10.851 -0.014 1.00 0.00 H new ATOM 0 HB THR A 13 0.657 12.892 0.977 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.875 14.261 -0.665 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.738 14.127 1.493 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.753 12.467 2.135 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.673 12.860 0.663 1.00 0.00 H new ATOM 208 N LEU A 14 1.194 9.368 1.432 1.00 0.00 N ATOM 209 CA LEU A 14 0.490 8.509 2.375 1.00 0.00 C ATOM 210 C LEU A 14 0.689 8.990 3.808 1.00 0.00 C ATOM 211 O LEU A 14 1.816 9.078 4.294 1.00 0.00 O ATOM 212 CB LEU A 14 0.976 7.066 2.221 1.00 0.00 C ATOM 213 CG LEU A 14 0.526 6.098 3.317 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.229 4.728 2.728 1.00 0.00 C ATOM 215 CD2 LEU A 14 1.585 5.994 4.404 1.00 0.00 C ATOM 0 H LEU A 14 2.134 9.050 1.197 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.577 8.552 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.630 6.685 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.066 7.070 2.189 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.389 6.486 3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.090 4.052 3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.564 4.815 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.128 4.333 2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.248 5.301 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.516 5.630 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.750 6.977 4.846 1.00 0.00 H new ATOM 227 N ILE A 15 -0.417 9.304 4.474 1.00 0.00 N ATOM 228 CA ILE A 15 -0.367 9.782 5.848 1.00 0.00 C ATOM 229 C ILE A 15 -0.089 8.645 6.826 1.00 0.00 C ATOM 230 O ILE A 15 0.757 8.778 7.710 1.00 0.00 O ATOM 231 CB ILE A 15 -1.673 10.496 6.254 1.00 0.00 C ATOM 232 CG1 ILE A 15 -2.874 9.563 6.095 1.00 0.00 C ATOM 233 CG2 ILE A 15 -1.864 11.756 5.424 1.00 0.00 C ATOM 234 CD1 ILE A 15 -3.219 8.804 7.357 1.00 0.00 C ATOM 0 H ILE A 15 -1.357 9.236 4.084 1.00 0.00 H new ATOM 0 HA ILE A 15 0.453 10.499 5.894 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.599 10.777 7.304 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.740 10.148 5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.667 8.850 5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.789 12.250 5.720 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.024 12.431 5.588 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.916 11.492 4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.080 8.162 7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.368 8.192 7.658 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.458 9.510 8.152 1.00 0.00 H new ATOM 246 N LYS A 16 -0.795 7.523 6.671 1.00 0.00 N ATOM 247 CA LYS A 16 -0.592 6.380 7.562 1.00 0.00 C ATOM 248 C LYS A 16 -1.504 5.209 7.202 1.00 0.00 C ATOM 249 O LYS A 16 -2.385 5.326 6.351 1.00 0.00 O ATOM 250 CB LYS A 16 -0.816 6.796 9.027 1.00 0.00 C ATOM 251 CG LYS A 16 -2.214 6.508 9.560 1.00 0.00 C ATOM 252 CD LYS A 16 -2.449 7.180 10.903 1.00 0.00 C ATOM 253 CE LYS A 16 -2.756 8.660 10.741 1.00 0.00 C ATOM 254 NZ LYS A 16 -1.517 9.476 10.630 1.00 0.00 N ATOM 0 H LYS A 16 -1.501 7.382 5.949 1.00 0.00 H new ATOM 0 HA LYS A 16 0.438 6.047 7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.089 6.279 9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.617 7.863 9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.957 6.857 8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.351 5.431 9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.277 6.690 11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.567 7.057 11.531 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.369 8.808 9.852 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.342 9.004 11.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.614 10.335 11.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.705 8.922 10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.365 9.742 9.636 1.00 0.00 H new ATOM 268 N ALA A 17 -1.282 4.080 7.873 1.00 0.00 N ATOM 269 CA ALA A 17 -2.077 2.877 7.649 1.00 0.00 C ATOM 270 C ALA A 17 -3.222 2.793 8.654 1.00 0.00 C ATOM 271 O ALA A 17 -3.098 3.257 9.787 1.00 0.00 O ATOM 272 CB ALA A 17 -1.197 1.639 7.742 1.00 0.00 C ATOM 0 H ALA A 17 -0.554 3.975 8.580 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.504 2.928 6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.803 0.749 7.573 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.412 1.693 6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.745 1.588 8.732 1.00 0.00 H new ATOM 278 N ILE A 18 -4.338 2.206 8.233 1.00 0.00 N ATOM 279 CA ILE A 18 -5.502 2.075 9.102 1.00 0.00 C ATOM 280 C ILE A 18 -5.622 0.664 9.676 1.00 0.00 C ATOM 281 O ILE A 18 -5.427 0.455 10.873 1.00 0.00 O ATOM 282 CB ILE A 18 -6.803 2.430 8.353 1.00 0.00 C ATOM 283 CG1 ILE A 18 -6.658 3.778 7.641 1.00 0.00 C ATOM 284 CG2 ILE A 18 -7.982 2.455 9.317 1.00 0.00 C ATOM 285 CD1 ILE A 18 -6.794 3.683 6.137 1.00 0.00 C ATOM 0 H ILE A 18 -4.461 1.815 7.299 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.358 2.777 9.923 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.992 1.663 7.601 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.413 4.465 8.024 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.685 4.206 7.884 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.892 2.707 8.772 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.095 1.474 9.779 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.804 3.202 10.091 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.681 4.674 5.698 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.023 3.021 5.743 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.777 3.285 5.885 1.00 0.00 H new ATOM 297 N ASP A 19 -5.954 -0.298 8.820 1.00 0.00 N ATOM 298 CA ASP A 19 -6.110 -1.685 9.253 1.00 0.00 C ATOM 299 C ASP A 19 -5.024 -2.577 8.659 1.00 0.00 C ATOM 300 O ASP A 19 -5.296 -3.696 8.224 1.00 0.00 O ATOM 301 CB ASP A 19 -7.490 -2.209 8.854 1.00 0.00 C ATOM 302 CG ASP A 19 -8.559 -1.859 9.870 1.00 0.00 C ATOM 303 OD1 ASP A 19 -9.011 -0.695 9.879 1.00 0.00 O ATOM 304 OD2 ASP A 19 -8.946 -2.749 10.656 1.00 0.00 O ATOM 0 H ASP A 19 -6.120 -0.145 7.825 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.014 -1.710 10.338 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.766 -1.795 7.884 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.444 -3.292 8.738 1.00 0.00 H new ATOM 309 N GLY A 20 -3.791 -2.081 8.646 1.00 0.00 N ATOM 310 CA GLY A 20 -2.687 -2.853 8.105 1.00 0.00 C ATOM 311 C GLY A 20 -2.575 -2.730 6.597 1.00 0.00 C ATOM 312 O GLY A 20 -1.521 -2.370 6.074 1.00 0.00 O ATOM 0 H GLY A 20 -3.536 -1.159 9.000 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.756 -2.520 8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.816 -3.902 8.372 1.00 0.00 H new ATOM 316 N ASP A 21 -3.668 -3.022 5.898 1.00 0.00 N ATOM 317 CA ASP A 21 -3.689 -2.936 4.444 1.00 0.00 C ATOM 318 C ASP A 21 -4.275 -1.601 4.002 1.00 0.00 C ATOM 319 O ASP A 21 -3.690 -0.899 3.177 1.00 0.00 O ATOM 320 CB ASP A 21 -4.501 -4.091 3.849 1.00 0.00 C ATOM 321 CG ASP A 21 -5.878 -4.224 4.476 1.00 0.00 C ATOM 322 OD1 ASP A 21 -6.140 -3.541 5.489 1.00 0.00 O ATOM 323 OD2 ASP A 21 -6.692 -5.013 3.955 1.00 0.00 O ATOM 0 H ASP A 21 -4.549 -3.320 6.316 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.664 -3.008 4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.609 -3.939 2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.953 -5.023 3.985 1.00 0.00 H new ATOM 328 N THR A 22 -5.427 -1.250 4.565 1.00 0.00 N ATOM 329 CA THR A 22 -6.082 0.009 4.238 1.00 0.00 C ATOM 330 C THR A 22 -5.211 1.184 4.669 1.00 0.00 C ATOM 331 O THR A 22 -5.088 1.470 5.860 1.00 0.00 O ATOM 332 CB THR A 22 -7.447 0.092 4.923 1.00 0.00 C ATOM 333 OG1 THR A 22 -8.016 -1.197 5.066 1.00 0.00 O ATOM 334 CG2 THR A 22 -8.442 0.952 4.175 1.00 0.00 C ATOM 0 H THR A 22 -5.925 -1.820 5.249 1.00 0.00 H new ATOM 0 HA THR A 22 -6.227 0.054 3.159 1.00 0.00 H new ATOM 0 HB THR A 22 -7.254 0.549 5.894 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.888 -1.123 5.508 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.388 0.967 4.716 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.055 1.968 4.092 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.600 0.541 3.178 1.00 0.00 H new ATOM 342 N VAL A 23 -4.601 1.857 3.699 1.00 0.00 N ATOM 343 CA VAL A 23 -3.734 2.993 3.989 1.00 0.00 C ATOM 344 C VAL A 23 -4.207 4.253 3.274 1.00 0.00 C ATOM 345 O VAL A 23 -4.670 4.194 2.136 1.00 0.00 O ATOM 346 CB VAL A 23 -2.279 2.706 3.576 1.00 0.00 C ATOM 347 CG1 VAL A 23 -1.695 1.580 4.416 1.00 0.00 C ATOM 348 CG2 VAL A 23 -2.198 2.371 2.094 1.00 0.00 C ATOM 0 H VAL A 23 -4.691 1.636 2.707 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.780 3.153 5.066 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.689 3.605 3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.666 1.393 4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.713 1.864 5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.287 0.676 4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.161 2.171 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.804 1.489 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.571 3.212 1.510 1.00 0.00 H new ATOM 358 N LYS A 24 -4.084 5.392 3.948 1.00 0.00 N ATOM 359 CA LYS A 24 -4.497 6.667 3.372 1.00 0.00 C ATOM 360 C LYS A 24 -3.359 7.299 2.574 1.00 0.00 C ATOM 361 O LYS A 24 -2.260 7.502 3.089 1.00 0.00 O ATOM 362 CB LYS A 24 -4.963 7.624 4.473 1.00 0.00 C ATOM 363 CG LYS A 24 -5.183 9.051 3.992 1.00 0.00 C ATOM 364 CD LYS A 24 -6.171 9.792 4.878 1.00 0.00 C ATOM 365 CE LYS A 24 -7.578 9.739 4.306 1.00 0.00 C ATOM 366 NZ LYS A 24 -8.368 10.951 4.658 1.00 0.00 N ATOM 0 H LYS A 24 -3.703 5.458 4.892 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.329 6.478 2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.892 7.247 4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.223 7.630 5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.232 9.583 3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.552 9.037 2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.166 9.354 5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.859 10.831 4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.525 9.643 3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.089 8.852 4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.321 10.875 4.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.441 11.030 5.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.895 11.796 4.279 1.00 0.00 H new ATOM 380 N LEU A 25 -3.637 7.602 1.312 1.00 0.00 N ATOM 381 CA LEU A 25 -2.652 8.210 0.421 1.00 0.00 C ATOM 382 C LEU A 25 -3.310 9.253 -0.484 1.00 0.00 C ATOM 383 O LEU A 25 -4.238 8.940 -1.228 1.00 0.00 O ATOM 384 CB LEU A 25 -1.960 7.115 -0.408 1.00 0.00 C ATOM 385 CG LEU A 25 -1.094 7.596 -1.578 1.00 0.00 C ATOM 386 CD1 LEU A 25 0.249 6.878 -1.585 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.807 7.367 -2.902 1.00 0.00 C ATOM 0 H LEU A 25 -4.545 7.435 0.878 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.899 8.723 1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.334 6.523 0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.727 6.447 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.921 8.665 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.848 7.234 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.775 7.080 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.087 5.805 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.176 7.715 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.009 6.303 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.747 7.918 -2.909 1.00 0.00 H new ATOM 399 N MET A 26 -2.824 10.496 -0.414 1.00 0.00 N ATOM 400 CA MET A 26 -3.382 11.573 -1.236 1.00 0.00 C ATOM 401 C MET A 26 -2.971 11.388 -2.691 1.00 0.00 C ATOM 402 O MET A 26 -1.837 11.666 -3.075 1.00 0.00 O ATOM 403 CB MET A 26 -2.947 12.951 -0.724 1.00 0.00 C ATOM 404 CG MET A 26 -1.453 13.213 -0.805 1.00 0.00 C ATOM 405 SD MET A 26 -0.986 14.768 -0.021 1.00 0.00 S ATOM 406 CE MET A 26 -1.754 14.583 1.586 1.00 0.00 C ATOM 0 H MET A 26 -2.056 10.779 0.195 1.00 0.00 H new ATOM 0 HA MET A 26 -4.469 11.524 -1.166 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.469 13.718 -1.296 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.265 13.056 0.313 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.916 12.393 -0.328 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.146 13.229 -1.851 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.225 15.197 2.315 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.795 14.902 1.531 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.710 13.538 1.892 1.00 0.00 H new ATOM 416 N TYR A 27 -3.907 10.891 -3.488 1.00 0.00 N ATOM 417 CA TYR A 27 -3.662 10.632 -4.898 1.00 0.00 C ATOM 418 C TYR A 27 -3.969 11.862 -5.749 1.00 0.00 C ATOM 419 O TYR A 27 -5.128 12.243 -5.919 1.00 0.00 O ATOM 420 CB TYR A 27 -4.512 9.441 -5.342 1.00 0.00 C ATOM 421 CG TYR A 27 -4.364 9.081 -6.802 1.00 0.00 C ATOM 422 CD1 TYR A 27 -4.918 9.881 -7.788 1.00 0.00 C ATOM 423 CD2 TYR A 27 -3.683 7.935 -7.190 1.00 0.00 C ATOM 424 CE1 TYR A 27 -4.799 9.556 -9.121 1.00 0.00 C ATOM 425 CE2 TYR A 27 -3.557 7.598 -8.523 1.00 0.00 C ATOM 426 CZ TYR A 27 -4.118 8.413 -9.487 1.00 0.00 C ATOM 427 OH TYR A 27 -4.000 8.084 -10.818 1.00 0.00 O ATOM 0 H TYR A 27 -4.850 10.658 -3.177 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.606 10.398 -5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.246 8.574 -4.737 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.560 9.662 -5.139 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.453 10.776 -7.506 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.245 7.297 -6.437 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.236 10.192 -9.876 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.024 6.704 -8.810 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.996 8.902 -11.358 1.00 0.00 H new ATOM 437 N LYS A 28 -2.915 12.477 -6.284 1.00 0.00 N ATOM 438 CA LYS A 28 -3.050 13.664 -7.126 1.00 0.00 C ATOM 439 C LYS A 28 -3.973 14.703 -6.490 1.00 0.00 C ATOM 440 O LYS A 28 -4.855 15.252 -7.152 1.00 0.00 O ATOM 441 CB LYS A 28 -3.572 13.269 -8.511 1.00 0.00 C ATOM 442 CG LYS A 28 -2.709 13.781 -9.654 1.00 0.00 C ATOM 443 CD LYS A 28 -2.341 12.666 -10.620 1.00 0.00 C ATOM 444 CE LYS A 28 -0.948 12.125 -10.343 1.00 0.00 C ATOM 445 NZ LYS A 28 -0.785 11.698 -8.925 1.00 0.00 N ATOM 0 H LYS A 28 -1.952 12.170 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.063 14.116 -7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.633 12.182 -8.571 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.585 13.652 -8.631 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.242 14.566 -10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.801 14.230 -9.252 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.069 11.858 -10.539 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.391 13.039 -11.643 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.751 11.279 -11.001 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.209 12.891 -10.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.184 11.352 -8.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.964 12.507 -8.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.461 10.937 -8.712 1.00 0.00 H new ATOM 459 N GLY A 29 -3.767 14.969 -5.204 1.00 0.00 N ATOM 460 CA GLY A 29 -4.593 15.943 -4.510 1.00 0.00 C ATOM 461 C GLY A 29 -5.918 15.363 -4.046 1.00 0.00 C ATOM 462 O GLY A 29 -6.674 16.024 -3.333 1.00 0.00 O ATOM 0 H GLY A 29 -3.046 14.530 -4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.048 16.328 -3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.783 16.789 -5.171 1.00 0.00 H new ATOM 466 N GLN A 30 -6.197 14.125 -4.444 1.00 0.00 N ATOM 467 CA GLN A 30 -7.431 13.455 -4.058 1.00 0.00 C ATOM 468 C GLN A 30 -7.097 12.124 -3.378 1.00 0.00 C ATOM 469 O GLN A 30 -6.795 11.131 -4.039 1.00 0.00 O ATOM 470 CB GLN A 30 -8.339 13.286 -5.299 1.00 0.00 C ATOM 471 CG GLN A 30 -8.789 11.863 -5.617 1.00 0.00 C ATOM 472 CD GLN A 30 -7.878 11.178 -6.612 1.00 0.00 C ATOM 473 OE1 GLN A 30 -7.289 11.826 -7.478 1.00 0.00 O ATOM 474 NE2 GLN A 30 -7.765 9.861 -6.500 1.00 0.00 N ATOM 0 H GLN A 30 -5.582 13.566 -5.035 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.985 14.055 -3.336 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.227 13.903 -5.160 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.810 13.680 -6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.820 11.280 -4.696 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.804 11.886 -6.014 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.272 9.366 -5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.171 9.343 -7.148 1.00 0.00 H new ATOM 483 N PRO A 31 -7.103 12.106 -2.031 1.00 0.00 N ATOM 484 CA PRO A 31 -6.763 10.916 -1.248 1.00 0.00 C ATOM 485 C PRO A 31 -7.782 9.791 -1.347 1.00 0.00 C ATOM 486 O PRO A 31 -8.992 10.012 -1.405 1.00 0.00 O ATOM 487 CB PRO A 31 -6.680 11.432 0.197 1.00 0.00 C ATOM 488 CG PRO A 31 -6.626 12.917 0.083 1.00 0.00 C ATOM 489 CD PRO A 31 -7.389 13.253 -1.162 1.00 0.00 C ATOM 0 HA PRO A 31 -5.840 10.471 -1.619 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.545 11.114 0.778 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.796 11.044 0.703 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.071 13.394 0.956 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.596 13.268 0.018 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.456 13.358 -0.968 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.052 14.191 -1.604 1.00 0.00 H new ATOM 497 N MET A 32 -7.249 8.579 -1.344 1.00 0.00 N ATOM 498 CA MET A 32 -8.032 7.358 -1.410 1.00 0.00 C ATOM 499 C MET A 32 -7.333 6.298 -0.573 1.00 0.00 C ATOM 500 O MET A 32 -6.107 6.292 -0.482 1.00 0.00 O ATOM 501 CB MET A 32 -8.141 6.877 -2.857 1.00 0.00 C ATOM 502 CG MET A 32 -8.645 7.940 -3.816 1.00 0.00 C ATOM 503 SD MET A 32 -9.687 7.262 -5.122 1.00 0.00 S ATOM 504 CE MET A 32 -10.834 8.613 -5.376 1.00 0.00 C ATOM 0 H MET A 32 -6.243 8.415 -1.295 1.00 0.00 H new ATOM 0 HA MET A 32 -9.037 7.543 -1.030 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.162 6.533 -3.191 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.811 6.018 -2.896 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.209 8.688 -3.259 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.794 8.451 -4.265 1.00 0.00 H new ATOM 0 HE1 MET A 32 -11.098 8.672 -6.432 1.00 0.00 H new ATOM 0 HE2 MET A 32 -11.734 8.442 -4.785 1.00 0.00 H new ATOM 0 HE3 MET A 32 -10.369 9.549 -5.066 1.00 0.00 H new ATOM 514 N THR A 33 -8.085 5.395 0.025 1.00 0.00 N ATOM 515 CA THR A 33 -7.468 4.338 0.812 1.00 0.00 C ATOM 516 C THR A 33 -7.137 3.173 -0.119 1.00 0.00 C ATOM 517 O THR A 33 -7.718 3.057 -1.199 1.00 0.00 O ATOM 518 CB THR A 33 -8.370 3.905 1.970 1.00 0.00 C ATOM 519 OG1 THR A 33 -9.598 4.613 1.947 1.00 0.00 O ATOM 520 CG2 THR A 33 -7.743 4.128 3.328 1.00 0.00 C ATOM 0 H THR A 33 -9.104 5.368 -0.015 1.00 0.00 H new ATOM 0 HA THR A 33 -6.548 4.706 1.266 1.00 0.00 H new ATOM 0 HB THR A 33 -8.528 2.836 1.826 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.159 4.319 2.695 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.433 3.801 4.106 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.818 3.556 3.400 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.526 5.188 3.459 1.00 0.00 H new ATOM 528 N PHE A 34 -6.189 2.332 0.268 1.00 0.00 N ATOM 529 CA PHE A 34 -5.786 1.213 -0.579 1.00 0.00 C ATOM 530 C PHE A 34 -5.515 -0.041 0.237 1.00 0.00 C ATOM 531 O PHE A 34 -5.069 0.030 1.380 1.00 0.00 O ATOM 532 CB PHE A 34 -4.525 1.561 -1.377 1.00 0.00 C ATOM 533 CG PHE A 34 -4.661 2.752 -2.279 1.00 0.00 C ATOM 534 CD1 PHE A 34 -4.871 4.017 -1.759 1.00 0.00 C ATOM 535 CD2 PHE A 34 -4.556 2.603 -3.649 1.00 0.00 C ATOM 536 CE1 PHE A 34 -4.977 5.114 -2.596 1.00 0.00 C ATOM 537 CE2 PHE A 34 -4.664 3.695 -4.488 1.00 0.00 C ATOM 538 CZ PHE A 34 -4.874 4.952 -3.961 1.00 0.00 C ATOM 0 H PHE A 34 -5.687 2.399 1.154 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.615 1.020 -1.260 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.708 1.743 -0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.243 0.697 -1.979 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.953 4.149 -0.690 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.388 1.622 -4.068 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.140 6.097 -2.180 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.584 3.564 -5.557 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.957 5.807 -4.616 1.00 0.00 H new ATOM 548 N ARG A 35 -5.763 -1.189 -0.377 1.00 0.00 N ATOM 549 CA ARG A 35 -5.527 -2.472 0.262 1.00 0.00 C ATOM 550 C ARG A 35 -4.474 -3.252 -0.515 1.00 0.00 C ATOM 551 O ARG A 35 -4.775 -3.887 -1.526 1.00 0.00 O ATOM 552 CB ARG A 35 -6.836 -3.261 0.356 1.00 0.00 C ATOM 553 CG ARG A 35 -6.653 -4.721 0.747 1.00 0.00 C ATOM 554 CD ARG A 35 -7.958 -5.495 0.644 1.00 0.00 C ATOM 555 NE ARG A 35 -7.898 -6.537 -0.379 1.00 0.00 N ATOM 556 CZ ARG A 35 -7.090 -7.593 -0.315 1.00 0.00 C ATOM 557 NH1 ARG A 35 -6.274 -7.753 0.720 1.00 0.00 N ATOM 558 NH2 ARG A 35 -7.099 -8.494 -1.289 1.00 0.00 N ATOM 0 H ARG A 35 -6.131 -1.256 -1.326 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.156 -2.308 1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.487 -2.779 1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.346 -3.215 -0.606 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.905 -5.180 0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.273 -4.780 1.767 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.188 -5.947 1.609 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.771 -4.806 0.413 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.511 -6.450 -1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.264 -7.064 1.472 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.658 -8.564 0.763 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.725 -8.377 -2.086 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.480 -9.303 -1.241 1.00 0.00 H new ATOM 572 N LEU A 36 -3.233 -3.187 -0.042 1.00 0.00 N ATOM 573 CA LEU A 36 -2.126 -3.873 -0.698 1.00 0.00 C ATOM 574 C LEU A 36 -2.397 -5.367 -0.824 1.00 0.00 C ATOM 575 O LEU A 36 -3.222 -5.922 -0.099 1.00 0.00 O ATOM 576 CB LEU A 36 -0.823 -3.643 0.073 1.00 0.00 C ATOM 577 CG LEU A 36 -0.946 -3.732 1.596 1.00 0.00 C ATOM 578 CD1 LEU A 36 0.132 -4.639 2.170 1.00 0.00 C ATOM 579 CD2 LEU A 36 -0.864 -2.346 2.221 1.00 0.00 C ATOM 0 H LEU A 36 -2.969 -2.666 0.794 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.027 -3.458 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.088 -4.375 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.433 -2.659 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.919 -4.162 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.027 -4.689 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.028 -5.639 1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.115 -4.240 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.953 -2.429 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.094 -1.890 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.673 -1.725 1.837 1.00 0.00 H new ATOM 900 N PRO A 56 3.083 -2.759 14.393 1.00 0.00 N ATOM 901 CA PRO A 56 4.110 -1.747 14.077 1.00 0.00 C ATOM 902 C PRO A 56 4.569 -1.701 12.621 1.00 0.00 C ATOM 903 O PRO A 56 4.554 -0.643 11.998 1.00 0.00 O ATOM 904 CB PRO A 56 5.277 -2.173 14.958 1.00 0.00 C ATOM 905 CG PRO A 56 4.630 -2.790 16.146 1.00 0.00 C ATOM 906 CD PRO A 56 3.430 -3.518 15.611 1.00 0.00 C ATOM 0 HA PRO A 56 3.713 -0.747 14.249 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.926 -2.882 14.444 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.896 -1.321 15.239 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.311 -3.474 16.654 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.338 -2.032 16.873 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.660 -4.559 15.384 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.610 -3.522 16.329 1.00 0.00 H new ATOM 914 N GLU A 57 5.011 -2.827 12.086 1.00 0.00 N ATOM 915 CA GLU A 57 5.505 -2.852 10.714 1.00 0.00 C ATOM 916 C GLU A 57 4.429 -2.426 9.716 1.00 0.00 C ATOM 917 O GLU A 57 4.739 -1.979 8.612 1.00 0.00 O ATOM 918 CB GLU A 57 6.041 -4.243 10.366 1.00 0.00 C ATOM 919 CG GLU A 57 6.874 -4.280 9.096 1.00 0.00 C ATOM 920 CD GLU A 57 6.035 -4.185 7.837 1.00 0.00 C ATOM 921 OE1 GLU A 57 4.923 -4.751 7.822 1.00 0.00 O ATOM 922 OE2 GLU A 57 6.491 -3.544 6.867 1.00 0.00 O ATOM 0 H GLU A 57 5.039 -3.725 12.570 1.00 0.00 H new ATOM 0 HA GLU A 57 6.320 -2.131 10.643 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.646 -4.607 11.197 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.201 -4.929 10.258 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.589 -3.458 9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.451 -5.204 9.073 1.00 0.00 H new ATOM 929 N ALA A 58 3.165 -2.568 10.101 1.00 0.00 N ATOM 930 CA ALA A 58 2.059 -2.203 9.227 1.00 0.00 C ATOM 931 C ALA A 58 1.621 -0.759 9.430 1.00 0.00 C ATOM 932 O ALA A 58 1.594 0.025 8.484 1.00 0.00 O ATOM 933 CB ALA A 58 0.886 -3.147 9.438 1.00 0.00 C ATOM 0 H ALA A 58 2.883 -2.933 11.011 1.00 0.00 H new ATOM 0 HA ALA A 58 2.412 -2.294 8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.066 -2.862 8.778 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.195 -4.168 9.213 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.554 -3.089 10.475 1.00 0.00 H new ATOM 939 N SER A 59 1.254 -0.419 10.660 1.00 0.00 N ATOM 940 CA SER A 59 0.792 0.928 10.975 1.00 0.00 C ATOM 941 C SER A 59 1.955 1.887 11.214 1.00 0.00 C ATOM 942 O SER A 59 1.848 3.082 10.939 1.00 0.00 O ATOM 943 CB SER A 59 -0.117 0.897 12.206 1.00 0.00 C ATOM 944 OG SER A 59 -1.386 0.350 11.891 1.00 0.00 O ATOM 0 H SER A 59 1.267 -1.057 11.456 1.00 0.00 H new ATOM 0 HA SER A 59 0.232 1.293 10.114 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.352 0.306 12.993 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.240 1.907 12.596 1.00 0.00 H new ATOM 0 HG SER A 59 -1.947 0.340 12.695 1.00 0.00 H new ATOM 950 N ALA A 60 3.060 1.366 11.736 1.00 0.00 N ATOM 951 CA ALA A 60 4.227 2.194 12.016 1.00 0.00 C ATOM 952 C ALA A 60 5.137 2.330 10.799 1.00 0.00 C ATOM 953 O ALA A 60 5.472 3.443 10.397 1.00 0.00 O ATOM 954 CB ALA A 60 5.005 1.640 13.201 1.00 0.00 C ATOM 0 H ALA A 60 3.172 0.380 11.973 1.00 0.00 H new ATOM 0 HA ALA A 60 3.864 3.191 12.266 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.872 2.272 13.394 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.364 1.625 14.082 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.337 0.626 12.976 1.00 0.00 H new ATOM 960 N PHE A 61 5.541 1.205 10.210 1.00 0.00 N ATOM 961 CA PHE A 61 6.418 1.245 9.042 1.00 0.00 C ATOM 962 C PHE A 61 5.748 1.971 7.882 1.00 0.00 C ATOM 963 O PHE A 61 6.416 2.555 7.029 1.00 0.00 O ATOM 964 CB PHE A 61 6.813 -0.170 8.615 1.00 0.00 C ATOM 965 CG PHE A 61 8.290 -0.337 8.400 1.00 0.00 C ATOM 966 CD1 PHE A 61 9.158 -0.390 9.480 1.00 0.00 C ATOM 967 CD2 PHE A 61 8.811 -0.437 7.121 1.00 0.00 C ATOM 968 CE1 PHE A 61 10.517 -0.540 9.286 1.00 0.00 C ATOM 969 CE2 PHE A 61 10.171 -0.586 6.921 1.00 0.00 C ATOM 970 CZ PHE A 61 11.025 -0.638 8.006 1.00 0.00 C ATOM 0 H PHE A 61 5.280 0.268 10.517 1.00 0.00 H new ATOM 0 HA PHE A 61 7.318 1.793 9.320 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.482 -0.877 9.376 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.288 -0.424 7.694 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.767 -0.313 10.484 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.147 -0.398 6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.182 -0.581 10.136 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.565 -0.662 5.918 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.088 -0.755 7.853 1.00 0.00 H new ATOM 980 N THR A 62 4.423 1.926 7.858 1.00 0.00 N ATOM 981 CA THR A 62 3.652 2.573 6.805 1.00 0.00 C ATOM 982 C THR A 62 3.848 4.090 6.834 1.00 0.00 C ATOM 983 O THR A 62 4.261 4.689 5.841 1.00 0.00 O ATOM 984 CB THR A 62 2.170 2.211 6.959 1.00 0.00 C ATOM 985 OG1 THR A 62 1.870 1.030 6.237 1.00 0.00 O ATOM 986 CG2 THR A 62 1.217 3.289 6.480 1.00 0.00 C ATOM 0 H THR A 62 3.858 1.446 8.559 1.00 0.00 H new ATOM 0 HA THR A 62 4.007 2.216 5.838 1.00 0.00 H new ATOM 0 HB THR A 62 2.024 2.080 8.031 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.884 0.262 6.846 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.189 2.956 6.623 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.385 4.203 7.050 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.391 3.485 5.422 1.00 0.00 H new ATOM 994 N LYS A 63 3.538 4.705 7.972 1.00 0.00 N ATOM 995 CA LYS A 63 3.668 6.152 8.118 1.00 0.00 C ATOM 996 C LYS A 63 5.101 6.556 8.460 1.00 0.00 C ATOM 997 O LYS A 63 5.581 7.598 8.014 1.00 0.00 O ATOM 998 CB LYS A 63 2.716 6.661 9.200 1.00 0.00 C ATOM 999 CG LYS A 63 3.032 6.124 10.586 1.00 0.00 C ATOM 1000 CD LYS A 63 1.809 6.157 11.487 1.00 0.00 C ATOM 1001 CE LYS A 63 2.179 6.520 12.916 1.00 0.00 C ATOM 1002 NZ LYS A 63 2.009 7.976 13.182 1.00 0.00 N ATOM 0 H LYS A 63 3.196 4.226 8.805 1.00 0.00 H new ATOM 0 HA LYS A 63 3.408 6.605 7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.754 7.750 9.223 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.696 6.383 8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.399 5.101 10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.831 6.715 11.033 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.091 6.881 11.101 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.319 5.183 11.473 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.559 5.950 13.607 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.214 6.235 13.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.272 8.182 14.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.620 8.520 12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.016 8.244 13.025 1.00 0.00 H new ATOM 1016 N LYS A 64 5.776 5.735 9.258 1.00 0.00 N ATOM 1017 CA LYS A 64 7.150 6.023 9.663 1.00 0.00 C ATOM 1018 C LYS A 64 8.092 6.044 8.463 1.00 0.00 C ATOM 1019 O LYS A 64 8.875 6.980 8.296 1.00 0.00 O ATOM 1020 CB LYS A 64 7.635 4.991 10.683 1.00 0.00 C ATOM 1021 CG LYS A 64 9.030 5.271 11.216 1.00 0.00 C ATOM 1022 CD LYS A 64 9.472 4.206 12.207 1.00 0.00 C ATOM 1023 CE LYS A 64 9.973 2.958 11.497 1.00 0.00 C ATOM 1024 NZ LYS A 64 10.948 2.200 12.329 1.00 0.00 N ATOM 0 H LYS A 64 5.397 4.867 9.637 1.00 0.00 H new ATOM 0 HA LYS A 64 7.157 7.012 10.121 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.935 4.962 11.518 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.623 4.003 10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.736 5.313 10.387 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.047 6.248 11.699 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.261 4.605 12.844 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.638 3.945 12.859 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.127 2.315 11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.442 3.240 10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.266 1.357 11.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.767 2.805 12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.493 1.908 13.218 1.00 0.00 H new ATOM 1038 N MET A 65 8.019 5.009 7.633 1.00 0.00 N ATOM 1039 CA MET A 65 8.876 4.916 6.456 1.00 0.00 C ATOM 1040 C MET A 65 8.680 6.119 5.539 1.00 0.00 C ATOM 1041 O MET A 65 9.609 6.550 4.857 1.00 0.00 O ATOM 1042 CB MET A 65 8.593 3.626 5.685 1.00 0.00 C ATOM 1043 CG MET A 65 9.619 3.330 4.603 1.00 0.00 C ATOM 1044 SD MET A 65 10.633 1.884 4.976 1.00 0.00 S ATOM 1045 CE MET A 65 12.113 2.259 4.040 1.00 0.00 C ATOM 0 H MET A 65 7.378 4.225 7.753 1.00 0.00 H new ATOM 0 HA MET A 65 9.911 4.906 6.799 1.00 0.00 H new ATOM 0 HB2 MET A 65 8.565 2.792 6.386 1.00 0.00 H new ATOM 0 HB3 MET A 65 7.605 3.693 5.229 1.00 0.00 H new ATOM 0 HG2 MET A 65 9.105 3.173 3.655 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.266 4.198 4.475 1.00 0.00 H new ATOM 0 HE1 MET A 65 12.497 1.346 3.585 1.00 0.00 H new ATOM 0 HE2 MET A 65 11.876 2.982 3.260 1.00 0.00 H new ATOM 0 HE3 MET A 65 12.868 2.677 4.705 1.00 0.00 H new ATOM 1055 N VAL A 66 7.465 6.655 5.526 1.00 0.00 N ATOM 1056 CA VAL A 66 7.148 7.806 4.691 1.00 0.00 C ATOM 1057 C VAL A 66 7.406 9.114 5.434 1.00 0.00 C ATOM 1058 O VAL A 66 7.721 10.134 4.821 1.00 0.00 O ATOM 1059 CB VAL A 66 5.682 7.767 4.220 1.00 0.00 C ATOM 1060 CG1 VAL A 66 5.404 6.484 3.453 1.00 0.00 C ATOM 1061 CG2 VAL A 66 4.734 7.900 5.401 1.00 0.00 C ATOM 0 H VAL A 66 6.684 6.311 6.084 1.00 0.00 H new ATOM 0 HA VAL A 66 7.801 7.758 3.820 1.00 0.00 H new ATOM 0 HB VAL A 66 5.514 8.612 3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.364 6.473 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.057 6.432 2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.591 5.626 4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.704 7.870 5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.902 7.078 6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.915 8.848 5.908 1.00 0.00 H new ATOM 1071 N GLU A 67 7.268 9.076 6.756 1.00 0.00 N ATOM 1072 CA GLU A 67 7.484 10.259 7.584 1.00 0.00 C ATOM 1073 C GLU A 67 8.850 10.888 7.310 1.00 0.00 C ATOM 1074 O GLU A 67 9.046 12.084 7.526 1.00 0.00 O ATOM 1075 CB GLU A 67 7.367 9.898 9.068 1.00 0.00 C ATOM 1076 CG GLU A 67 6.501 10.862 9.863 1.00 0.00 C ATOM 1077 CD GLU A 67 6.458 10.524 11.341 1.00 0.00 C ATOM 1078 OE1 GLU A 67 7.533 10.261 11.920 1.00 0.00 O ATOM 1079 OE2 GLU A 67 5.350 10.523 11.917 1.00 0.00 O ATOM 0 H GLU A 67 7.008 8.239 7.277 1.00 0.00 H new ATOM 0 HA GLU A 67 6.715 10.988 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.954 8.893 9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.364 9.873 9.507 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.882 11.875 9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.488 10.850 9.462 1.00 0.00 H new ATOM 1086 N ASN A 68 9.792 10.077 6.839 1.00 0.00 N ATOM 1087 CA ASN A 68 11.136 10.561 6.543 1.00 0.00 C ATOM 1088 C ASN A 68 11.367 10.678 5.040 1.00 0.00 C ATOM 1089 O ASN A 68 12.162 11.500 4.587 1.00 0.00 O ATOM 1090 CB ASN A 68 12.181 9.628 7.158 1.00 0.00 C ATOM 1091 CG ASN A 68 12.024 8.196 6.689 1.00 0.00 C ATOM 1092 OD1 ASN A 68 11.376 7.382 7.348 1.00 0.00 O ATOM 1093 ND2 ASN A 68 12.617 7.879 5.544 1.00 0.00 N ATOM 0 H ASN A 68 9.650 9.084 6.654 1.00 0.00 H new ATOM 0 HA ASN A 68 11.236 11.554 6.980 1.00 0.00 H new ATOM 0 HB2 ASN A 68 13.178 9.984 6.901 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.100 9.663 8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 68 12.545 6.930 5.178 1.00 0.00 H new ATOM 0 HD22 ASN A 68 13.144 8.585 5.030 1.00 0.00 H new ATOM 1100 N ALA A 69 10.668 9.851 4.268 1.00 0.00 N ATOM 1101 CA ALA A 69 10.801 9.868 2.818 1.00 0.00 C ATOM 1102 C ALA A 69 9.768 10.790 2.184 1.00 0.00 C ATOM 1103 O ALA A 69 8.579 10.712 2.494 1.00 0.00 O ATOM 1104 CB ALA A 69 10.668 8.459 2.260 1.00 0.00 C ATOM 0 H ALA A 69 10.005 9.162 4.623 1.00 0.00 H new ATOM 0 HA ALA A 69 11.791 10.252 2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.769 8.486 1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.448 7.826 2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.691 8.054 2.523 1.00 0.00 H new ATOM 1110 N LYS A 70 10.228 11.661 1.293 1.00 0.00 N ATOM 1111 CA LYS A 70 9.342 12.597 0.612 1.00 0.00 C ATOM 1112 C LYS A 70 8.931 12.060 -0.755 1.00 0.00 C ATOM 1113 O LYS A 70 8.643 12.828 -1.673 1.00 0.00 O ATOM 1114 CB LYS A 70 10.027 13.958 0.456 1.00 0.00 C ATOM 1115 CG LYS A 70 9.680 14.942 1.561 1.00 0.00 C ATOM 1116 CD LYS A 70 10.686 16.080 1.632 1.00 0.00 C ATOM 1117 CE LYS A 70 10.726 16.871 0.335 1.00 0.00 C ATOM 1118 NZ LYS A 70 12.004 17.619 0.179 1.00 0.00 N ATOM 0 H LYS A 70 11.209 11.738 1.026 1.00 0.00 H new ATOM 0 HA LYS A 70 8.445 12.718 1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.107 13.812 0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.746 14.389 -0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.683 15.347 1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.651 14.421 2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.427 16.744 2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.677 15.678 1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.598 16.192 -0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.891 17.571 0.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.991 18.145 -0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.115 18.285 0.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.800 16.950 0.176 1.00 0.00 H new ATOM 1132 N LYS A 71 8.902 10.736 -0.884 1.00 0.00 N ATOM 1133 CA LYS A 71 8.525 10.101 -2.140 1.00 0.00 C ATOM 1134 C LYS A 71 7.729 8.826 -1.893 1.00 0.00 C ATOM 1135 O LYS A 71 8.298 7.767 -1.629 1.00 0.00 O ATOM 1136 CB LYS A 71 9.767 9.776 -2.969 1.00 0.00 C ATOM 1137 CG LYS A 71 10.882 9.129 -2.164 1.00 0.00 C ATOM 1138 CD LYS A 71 12.208 9.842 -2.370 1.00 0.00 C ATOM 1139 CE LYS A 71 12.139 11.290 -1.910 1.00 0.00 C ATOM 1140 NZ LYS A 71 12.927 12.193 -2.794 1.00 0.00 N ATOM 0 H LYS A 71 9.135 10.085 -0.135 1.00 0.00 H new ATOM 0 HA LYS A 71 7.898 10.802 -2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.485 9.110 -3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.142 10.694 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.622 9.142 -1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.982 8.083 -2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.992 9.321 -1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.481 9.807 -3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.099 11.616 -1.893 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.513 11.365 -0.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.854 13.170 -2.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.924 11.898 -2.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.554 12.142 -3.763 1.00 0.00 H new ATOM 1154 N ILE A 72 6.411 8.933 -1.995 1.00 0.00 N ATOM 1155 CA ILE A 72 5.534 7.789 -1.798 1.00 0.00 C ATOM 1156 C ILE A 72 4.702 7.538 -3.046 1.00 0.00 C ATOM 1157 O ILE A 72 3.655 8.152 -3.242 1.00 0.00 O ATOM 1158 CB ILE A 72 4.594 7.989 -0.594 1.00 0.00 C ATOM 1159 CG1 ILE A 72 5.385 8.466 0.627 1.00 0.00 C ATOM 1160 CG2 ILE A 72 3.853 6.697 -0.284 1.00 0.00 C ATOM 1161 CD1 ILE A 72 4.760 9.655 1.325 1.00 0.00 C ATOM 0 H ILE A 72 5.926 9.803 -2.214 1.00 0.00 H new ATOM 0 HA ILE A 72 6.170 6.927 -1.598 1.00 0.00 H new ATOM 0 HB ILE A 72 3.860 8.755 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.473 7.643 1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.396 8.728 0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.192 6.852 0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.263 6.399 -1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.572 5.913 -0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.373 9.939 2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.696 10.493 0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.759 9.391 1.668 1.00 0.00 H new ATOM 1173 N GLU A 73 5.177 6.639 -3.894 1.00 0.00 N ATOM 1174 CA GLU A 73 4.477 6.320 -5.127 1.00 0.00 C ATOM 1175 C GLU A 73 3.576 5.109 -4.938 1.00 0.00 C ATOM 1176 O GLU A 73 3.751 4.330 -4.001 1.00 0.00 O ATOM 1177 CB GLU A 73 5.474 6.069 -6.259 1.00 0.00 C ATOM 1178 CG GLU A 73 5.386 7.086 -7.384 1.00 0.00 C ATOM 1179 CD GLU A 73 6.588 7.041 -8.308 1.00 0.00 C ATOM 1180 OE1 GLU A 73 6.574 6.234 -9.261 1.00 0.00 O ATOM 1181 OE2 GLU A 73 7.543 7.812 -8.077 1.00 0.00 O ATOM 0 H GLU A 73 6.043 6.119 -3.751 1.00 0.00 H new ATOM 0 HA GLU A 73 3.854 7.173 -5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.485 6.078 -5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.304 5.073 -6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.481 6.904 -7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.297 8.086 -6.959 1.00 0.00 H new ATOM 1188 N VAL A 74 2.606 4.965 -5.829 1.00 0.00 N ATOM 1189 CA VAL A 74 1.667 3.860 -5.761 1.00 0.00 C ATOM 1190 C VAL A 74 1.514 3.187 -7.118 1.00 0.00 C ATOM 1191 O VAL A 74 1.017 3.790 -8.069 1.00 0.00 O ATOM 1192 CB VAL A 74 0.286 4.339 -5.273 1.00 0.00 C ATOM 1193 CG1 VAL A 74 -0.685 3.175 -5.155 1.00 0.00 C ATOM 1194 CG2 VAL A 74 0.416 5.063 -3.944 1.00 0.00 C ATOM 0 H VAL A 74 2.450 5.603 -6.609 1.00 0.00 H new ATOM 0 HA VAL A 74 2.068 3.138 -5.049 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.112 5.035 -6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.652 3.541 -4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.804 2.701 -6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.296 2.448 -4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.568 5.395 -3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.840 4.387 -3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.070 5.927 -4.063 1.00 0.00 H new ATOM 1204 N GLU A 75 1.935 1.932 -7.197 1.00 0.00 N ATOM 1205 CA GLU A 75 1.834 1.170 -8.435 1.00 0.00 C ATOM 1206 C GLU A 75 0.416 0.636 -8.617 1.00 0.00 C ATOM 1207 O GLU A 75 0.213 -0.564 -8.795 1.00 0.00 O ATOM 1208 CB GLU A 75 2.831 0.008 -8.424 1.00 0.00 C ATOM 1209 CG GLU A 75 2.835 -0.803 -9.711 1.00 0.00 C ATOM 1210 CD GLU A 75 2.277 -2.200 -9.522 1.00 0.00 C ATOM 1211 OE1 GLU A 75 2.887 -2.986 -8.767 1.00 0.00 O ATOM 1212 OE2 GLU A 75 1.229 -2.507 -10.128 1.00 0.00 O ATOM 0 H GLU A 75 2.350 1.420 -6.419 1.00 0.00 H new ATOM 0 HA GLU A 75 2.070 1.832 -9.268 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.832 0.401 -8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.597 -0.652 -7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.248 -0.281 -10.467 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.855 -0.871 -10.090 1.00 0.00 H new ATOM 1219 N PHE A 76 -0.566 1.531 -8.553 1.00 0.00 N ATOM 1220 CA PHE A 76 -1.962 1.128 -8.692 1.00 0.00 C ATOM 1221 C PHE A 76 -2.480 1.336 -10.116 1.00 0.00 C ATOM 1222 O PHE A 76 -1.864 2.033 -10.921 1.00 0.00 O ATOM 1223 CB PHE A 76 -2.825 1.871 -7.655 1.00 0.00 C ATOM 1224 CG PHE A 76 -3.768 2.909 -8.207 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -3.349 3.834 -9.151 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -5.077 2.963 -7.760 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -4.221 4.788 -9.639 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -5.952 3.915 -8.241 1.00 0.00 C ATOM 1229 CZ PHE A 76 -5.524 4.829 -9.183 1.00 0.00 C ATOM 0 H PHE A 76 -0.423 2.530 -8.407 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.031 0.058 -8.498 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.409 1.135 -7.102 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.161 2.355 -6.938 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.330 3.808 -9.509 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.418 2.250 -7.024 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.884 5.501 -10.377 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -6.970 3.945 -7.881 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.207 5.575 -9.563 1.00 0.00 H new ATOM 1239 N ASP A 77 -3.618 0.711 -10.411 1.00 0.00 N ATOM 1240 CA ASP A 77 -4.237 0.805 -11.729 1.00 0.00 C ATOM 1241 C ASP A 77 -5.445 1.737 -11.703 1.00 0.00 C ATOM 1242 O ASP A 77 -5.987 2.038 -10.641 1.00 0.00 O ATOM 1243 CB ASP A 77 -4.668 -0.585 -12.208 1.00 0.00 C ATOM 1244 CG ASP A 77 -5.010 -0.605 -13.684 1.00 0.00 C ATOM 1245 OD1 ASP A 77 -4.227 -0.050 -14.483 1.00 0.00 O ATOM 1246 OD2 ASP A 77 -6.063 -1.174 -14.042 1.00 0.00 O ATOM 0 H ASP A 77 -4.132 0.130 -9.749 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.500 1.215 -12.419 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.867 -1.298 -12.013 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.534 -0.913 -11.632 1.00 0.00 H new ATOM 1251 N LYS A 78 -5.866 2.183 -12.884 1.00 0.00 N ATOM 1252 CA LYS A 78 -7.016 3.075 -12.999 1.00 0.00 C ATOM 1253 C LYS A 78 -8.282 2.284 -13.322 1.00 0.00 C ATOM 1254 O LYS A 78 -9.185 2.781 -13.997 1.00 0.00 O ATOM 1255 CB LYS A 78 -6.766 4.129 -14.079 1.00 0.00 C ATOM 1256 CG LYS A 78 -7.701 5.324 -13.990 1.00 0.00 C ATOM 1257 CD LYS A 78 -7.391 6.188 -12.777 1.00 0.00 C ATOM 1258 CE LYS A 78 -8.446 6.030 -11.693 1.00 0.00 C ATOM 1259 NZ LYS A 78 -8.235 6.984 -10.570 1.00 0.00 N ATOM 0 H LYS A 78 -5.429 1.942 -13.773 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.156 3.577 -12.042 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.736 4.478 -14.003 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.874 3.665 -15.060 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.614 5.923 -14.896 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.733 4.976 -13.936 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.414 5.917 -12.377 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.333 7.234 -13.080 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.435 6.188 -12.123 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.424 5.009 -11.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.705 6.624 -9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.216 7.086 -10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.636 7.910 -10.821 1.00 0.00 H new ATOM 1273 N GLY A 79 -8.340 1.054 -12.826 1.00 0.00 N ATOM 1274 CA GLY A 79 -9.487 0.200 -13.051 1.00 0.00 C ATOM 1275 C GLY A 79 -9.505 -0.938 -12.064 1.00 0.00 C ATOM 1276 O GLY A 79 -9.947 -2.045 -12.375 1.00 0.00 O ATOM 0 H GLY A 79 -7.601 0.630 -12.265 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.404 0.782 -12.959 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.460 -0.194 -14.067 1.00 0.00 H new ATOM 1280 N GLN A 80 -9.001 -0.661 -10.870 1.00 0.00 N ATOM 1281 CA GLN A 80 -8.932 -1.657 -9.823 1.00 0.00 C ATOM 1282 C GLN A 80 -10.282 -1.843 -9.158 1.00 0.00 C ATOM 1283 O GLN A 80 -10.921 -0.888 -8.718 1.00 0.00 O ATOM 1284 CB GLN A 80 -7.885 -1.264 -8.778 1.00 0.00 C ATOM 1285 CG GLN A 80 -6.627 -2.118 -8.794 1.00 0.00 C ATOM 1286 CD GLN A 80 -6.888 -3.578 -9.124 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -7.862 -4.168 -8.654 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -6.017 -4.168 -9.935 1.00 0.00 N ATOM 0 H GLN A 80 -8.633 0.253 -10.606 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.640 -2.603 -10.280 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.604 -0.223 -8.937 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.337 -1.324 -7.788 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -5.929 -1.708 -9.524 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -6.143 -2.055 -7.820 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.224 -3.642 -10.302 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -6.141 -5.147 -10.191 1.00 0.00 H new ATOM 1297 N ARG A 81 -10.696 -3.090 -9.096 1.00 0.00 N ATOM 1298 CA ARG A 81 -11.972 -3.453 -8.489 1.00 0.00 C ATOM 1299 C ARG A 81 -11.949 -3.206 -6.984 1.00 0.00 C ATOM 1300 O ARG A 81 -11.686 -4.117 -6.199 1.00 0.00 O ATOM 1301 CB ARG A 81 -12.295 -4.922 -8.771 1.00 0.00 C ATOM 1302 CG ARG A 81 -13.686 -5.336 -8.318 1.00 0.00 C ATOM 1303 CD ARG A 81 -13.854 -6.847 -8.334 1.00 0.00 C ATOM 1304 NE ARG A 81 -15.051 -7.256 -9.064 1.00 0.00 N ATOM 1305 CZ ARG A 81 -16.285 -7.173 -8.570 1.00 0.00 C ATOM 1306 NH1 ARG A 81 -16.487 -6.695 -7.348 1.00 0.00 N ATOM 1307 NH2 ARG A 81 -17.319 -7.568 -9.300 1.00 0.00 N ATOM 0 H ARG A 81 -10.166 -3.882 -9.461 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.747 -2.826 -8.930 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.200 -5.108 -9.841 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -11.557 -5.550 -8.272 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.868 -4.960 -7.311 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.432 -4.880 -8.969 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -12.977 -7.305 -8.791 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.910 -7.217 -7.310 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.935 -7.627 -10.007 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.695 -6.389 -6.783 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.434 -6.634 -6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.169 -7.935 -10.240 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.264 -7.505 -8.922 1.00 0.00 H new ATOM 1321 N THR A 82 -12.226 -1.967 -6.589 1.00 0.00 N ATOM 1322 CA THR A 82 -12.238 -1.601 -5.178 1.00 0.00 C ATOM 1323 C THR A 82 -13.666 -1.410 -4.677 1.00 0.00 C ATOM 1324 O THR A 82 -14.597 -1.258 -5.468 1.00 0.00 O ATOM 1325 CB THR A 82 -11.431 -0.320 -4.958 1.00 0.00 C ATOM 1326 OG1 THR A 82 -11.357 -0.006 -3.578 1.00 0.00 O ATOM 1327 CG2 THR A 82 -12.010 0.882 -5.673 1.00 0.00 C ATOM 0 H THR A 82 -12.445 -1.201 -7.226 1.00 0.00 H new ATOM 0 HA THR A 82 -11.781 -2.413 -4.612 1.00 0.00 H new ATOM 0 HB THR A 82 -10.443 -0.525 -5.370 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.418 0.036 -3.302 1.00 0.00 H new ATOM 0 HG21 THR A 82 -11.390 1.756 -5.475 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.035 0.690 -6.746 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.022 1.066 -5.314 1.00 0.00 H new ATOM 1421 N TRP A 88 -8.245 0.089 -2.875 1.00 0.00 N ATOM 1422 CA TRP A 88 -7.506 0.040 -4.123 1.00 0.00 C ATOM 1423 C TRP A 88 -6.228 -0.762 -3.914 1.00 0.00 C ATOM 1424 O TRP A 88 -5.685 -0.779 -2.813 1.00 0.00 O ATOM 1425 CB TRP A 88 -7.154 1.461 -4.560 1.00 0.00 C ATOM 1426 CG TRP A 88 -8.285 2.200 -5.202 1.00 0.00 C ATOM 1427 CD1 TRP A 88 -9.244 2.939 -4.572 1.00 0.00 C ATOM 1428 CD2 TRP A 88 -8.567 2.281 -6.599 1.00 0.00 C ATOM 1429 NE1 TRP A 88 -10.110 3.473 -5.496 1.00 0.00 N ATOM 1430 CE2 TRP A 88 -9.715 3.081 -6.749 1.00 0.00 C ATOM 1431 CE3 TRP A 88 -7.960 1.753 -7.737 1.00 0.00 C ATOM 1432 CZ2 TRP A 88 -10.266 3.363 -7.998 1.00 0.00 C ATOM 1433 CZ3 TRP A 88 -8.503 2.031 -8.973 1.00 0.00 C ATOM 1434 CH2 TRP A 88 -9.647 2.830 -9.098 1.00 0.00 C ATOM 0 HA TRP A 88 -8.113 -0.434 -4.894 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -6.814 2.023 -3.690 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.319 1.418 -5.259 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -9.312 3.083 -3.504 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -10.914 4.064 -5.284 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.078 1.136 -7.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -11.148 3.979 -8.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -8.039 1.626 -9.860 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -10.049 3.030 -10.080 1.00 0.00 H new ATOM 1445 N LEU A 89 -5.735 -1.418 -4.955 1.00 0.00 N ATOM 1446 CA LEU A 89 -4.509 -2.199 -4.812 1.00 0.00 C ATOM 1447 C LEU A 89 -3.300 -1.272 -4.792 1.00 0.00 C ATOM 1448 O LEU A 89 -3.359 -0.155 -5.304 1.00 0.00 O ATOM 1449 CB LEU A 89 -4.383 -3.230 -5.947 1.00 0.00 C ATOM 1450 CG LEU A 89 -3.586 -2.795 -7.189 1.00 0.00 C ATOM 1451 CD1 LEU A 89 -3.929 -1.369 -7.604 1.00 0.00 C ATOM 1452 CD2 LEU A 89 -2.090 -2.934 -6.937 1.00 0.00 C ATOM 0 H LEU A 89 -6.150 -1.428 -5.887 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.550 -2.742 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.917 -4.128 -5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.387 -3.508 -6.267 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.866 -3.454 -8.011 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.347 -1.096 -8.484 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.992 -1.304 -7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.694 -0.686 -6.788 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.541 -2.622 -7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.803 -2.306 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.854 -3.974 -6.711 1.00 0.00 H new ATOM 1464 N ALA A 90 -2.205 -1.728 -4.190 1.00 0.00 N ATOM 1465 CA ALA A 90 -0.999 -0.911 -4.114 1.00 0.00 C ATOM 1466 C ALA A 90 0.064 -1.554 -3.238 1.00 0.00 C ATOM 1467 O ALA A 90 -0.227 -2.415 -2.410 1.00 0.00 O ATOM 1468 CB ALA A 90 -1.331 0.478 -3.588 1.00 0.00 C ATOM 0 H ALA A 90 -2.128 -2.647 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.598 -0.829 -5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.420 1.075 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.044 0.960 -4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.767 0.395 -2.592 1.00 0.00 H new ATOM 1474 N TYR A 91 1.301 -1.116 -3.427 1.00 0.00 N ATOM 1475 CA TYR A 91 2.423 -1.626 -2.657 1.00 0.00 C ATOM 1476 C TYR A 91 2.968 -0.535 -1.741 1.00 0.00 C ATOM 1477 O TYR A 91 3.354 -0.798 -0.603 1.00 0.00 O ATOM 1478 CB TYR A 91 3.520 -2.133 -3.595 1.00 0.00 C ATOM 1479 CG TYR A 91 3.177 -3.439 -4.280 1.00 0.00 C ATOM 1480 CD1 TYR A 91 1.976 -3.599 -4.969 1.00 0.00 C ATOM 1481 CD2 TYR A 91 4.055 -4.515 -4.237 1.00 0.00 C ATOM 1482 CE1 TYR A 91 1.667 -4.793 -5.593 1.00 0.00 C ATOM 1483 CE2 TYR A 91 3.750 -5.711 -4.859 1.00 0.00 C ATOM 1484 CZ TYR A 91 2.556 -5.844 -5.535 1.00 0.00 C ATOM 1485 OH TYR A 91 2.250 -7.034 -6.156 1.00 0.00 O ATOM 0 H TYR A 91 1.552 -0.404 -4.112 1.00 0.00 H new ATOM 0 HA TYR A 91 2.080 -2.459 -2.042 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.716 -1.375 -4.354 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.441 -2.262 -3.027 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.276 -2.778 -5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.992 -4.415 -3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 91 0.733 -4.902 -6.124 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.444 -6.537 -4.816 1.00 0.00 H new ATOM 0 HH TYR A 91 2.982 -7.671 -6.021 1.00 0.00 H new ATOM 1495 N ILE A 92 2.976 0.697 -2.248 1.00 0.00 N ATOM 1496 CA ILE A 92 3.452 1.845 -1.485 1.00 0.00 C ATOM 1497 C ILE A 92 4.911 1.683 -1.072 1.00 0.00 C ATOM 1498 O ILE A 92 5.291 0.679 -0.470 1.00 0.00 O ATOM 1499 CB ILE A 92 2.599 2.069 -0.221 1.00 0.00 C ATOM 1500 CG1 ILE A 92 1.110 2.074 -0.577 1.00 0.00 C ATOM 1501 CG2 ILE A 92 2.993 3.370 0.462 1.00 0.00 C ATOM 1502 CD1 ILE A 92 0.373 0.839 -0.106 1.00 0.00 C ATOM 0 H ILE A 92 2.656 0.924 -3.189 1.00 0.00 H new ATOM 0 HA ILE A 92 3.363 2.710 -2.142 1.00 0.00 H new ATOM 0 HB ILE A 92 2.783 1.249 0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.643 2.956 -0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.003 2.161 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.381 3.513 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.044 3.328 0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.836 4.203 -0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.676 0.910 -0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.815 -0.046 -0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.449 0.762 0.979 1.00 0.00 H new ATOM 1514 N TYR A 93 5.725 2.685 -1.389 1.00 0.00 N ATOM 1515 CA TYR A 93 7.138 2.654 -1.035 1.00 0.00 C ATOM 1516 C TYR A 93 7.677 4.056 -0.785 1.00 0.00 C ATOM 1517 O TYR A 93 7.322 5.007 -1.482 1.00 0.00 O ATOM 1518 CB TYR A 93 7.961 1.976 -2.130 1.00 0.00 C ATOM 1519 CG TYR A 93 7.603 2.398 -3.535 1.00 0.00 C ATOM 1520 CD1 TYR A 93 8.023 3.622 -4.042 1.00 0.00 C ATOM 1521 CD2 TYR A 93 6.857 1.567 -4.360 1.00 0.00 C ATOM 1522 CE1 TYR A 93 7.708 4.004 -5.331 1.00 0.00 C ATOM 1523 CE2 TYR A 93 6.541 1.941 -5.650 1.00 0.00 C ATOM 1524 CZ TYR A 93 6.968 3.160 -6.131 1.00 0.00 C ATOM 1525 OH TYR A 93 6.656 3.536 -7.418 1.00 0.00 O ATOM 0 H TYR A 93 5.431 3.525 -1.888 1.00 0.00 H new ATOM 0 HA TYR A 93 7.228 2.077 -0.115 1.00 0.00 H new ATOM 0 HB2 TYR A 93 9.016 2.189 -1.958 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.836 0.897 -2.045 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.605 4.285 -3.418 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.518 0.612 -3.986 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.040 4.959 -5.710 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.962 1.282 -6.280 1.00 0.00 H new ATOM 0 HH TYR A 93 7.362 4.119 -7.769 1.00 0.00 H new ATOM 1535 N ALA A 94 8.544 4.171 0.214 1.00 0.00 N ATOM 1536 CA ALA A 94 9.148 5.449 0.560 1.00 0.00 C ATOM 1537 C ALA A 94 10.636 5.443 0.229 1.00 0.00 C ATOM 1538 O ALA A 94 11.397 4.636 0.762 1.00 0.00 O ATOM 1539 CB ALA A 94 8.927 5.757 2.034 1.00 0.00 C ATOM 0 H ALA A 94 8.844 3.391 0.799 1.00 0.00 H new ATOM 0 HA ALA A 94 8.670 6.231 -0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.384 6.716 2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.858 5.802 2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.381 4.974 2.641 1.00 0.00 H new ATOM 1545 N ASP A 95 11.041 6.344 -0.660 1.00 0.00 N ATOM 1546 CA ASP A 95 12.439 6.446 -1.075 1.00 0.00 C ATOM 1547 C ASP A 95 12.806 5.327 -2.050 1.00 0.00 C ATOM 1548 O ASP A 95 13.982 5.016 -2.236 1.00 0.00 O ATOM 1549 CB ASP A 95 13.370 6.407 0.141 1.00 0.00 C ATOM 1550 CG ASP A 95 14.426 7.493 0.094 1.00 0.00 C ATOM 1551 OD1 ASP A 95 14.102 8.652 0.427 1.00 0.00 O ATOM 1552 OD2 ASP A 95 15.579 7.185 -0.275 1.00 0.00 O ATOM 0 H ASP A 95 10.420 7.017 -1.109 1.00 0.00 H new ATOM 0 HA ASP A 95 12.564 7.402 -1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.780 6.517 1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.856 5.433 0.192 1.00 0.00 H new ATOM 1557 N GLY A 96 11.794 4.732 -2.677 1.00 0.00 N ATOM 1558 CA GLY A 96 12.038 3.664 -3.630 1.00 0.00 C ATOM 1559 C GLY A 96 11.887 2.279 -3.026 1.00 0.00 C ATOM 1560 O GLY A 96 11.706 1.301 -3.750 1.00 0.00 O ATOM 0 H GLY A 96 10.811 4.970 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.346 3.766 -4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.045 3.769 -4.035 1.00 0.00 H new ATOM 1564 N LYS A 97 11.967 2.190 -1.702 1.00 0.00 N ATOM 1565 CA LYS A 97 11.843 0.907 -1.019 1.00 0.00 C ATOM 1566 C LYS A 97 10.476 0.758 -0.356 1.00 0.00 C ATOM 1567 O LYS A 97 10.036 1.634 0.390 1.00 0.00 O ATOM 1568 CB LYS A 97 12.949 0.754 0.028 1.00 0.00 C ATOM 1569 CG LYS A 97 13.118 1.975 0.916 1.00 0.00 C ATOM 1570 CD LYS A 97 14.272 2.847 0.451 1.00 0.00 C ATOM 1571 CE LYS A 97 15.601 2.114 0.549 1.00 0.00 C ATOM 1572 NZ LYS A 97 16.430 2.615 1.680 1.00 0.00 N ATOM 0 H LYS A 97 12.116 2.987 -1.083 1.00 0.00 H new ATOM 0 HA LYS A 97 11.944 0.121 -1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.729 -0.112 0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.892 0.550 -0.479 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.197 2.558 0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.292 1.657 1.944 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.102 3.157 -0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.310 3.754 1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.418 1.047 0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.151 2.233 -0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.327 2.090 1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.626 3.627 1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.917 2.478 2.574 1.00 0.00 H new ATOM 1586 N MET A 98 9.812 -0.359 -0.635 1.00 0.00 N ATOM 1587 CA MET A 98 8.496 -0.635 -0.069 1.00 0.00 C ATOM 1588 C MET A 98 8.588 -0.879 1.434 1.00 0.00 C ATOM 1589 O MET A 98 9.604 -1.360 1.935 1.00 0.00 O ATOM 1590 CB MET A 98 7.869 -1.849 -0.758 1.00 0.00 C ATOM 1591 CG MET A 98 7.430 -1.578 -2.187 1.00 0.00 C ATOM 1592 SD MET A 98 7.249 -3.088 -3.155 1.00 0.00 S ATOM 1593 CE MET A 98 7.868 -2.546 -4.746 1.00 0.00 C ATOM 0 H MET A 98 10.165 -1.090 -1.252 1.00 0.00 H new ATOM 0 HA MET A 98 7.865 0.238 -0.237 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.588 -2.668 -0.757 1.00 0.00 H new ATOM 0 HB3 MET A 98 7.007 -2.180 -0.179 1.00 0.00 H new ATOM 0 HG2 MET A 98 6.481 -1.042 -2.176 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.159 -0.927 -2.670 1.00 0.00 H new ATOM 0 HE1 MET A 98 7.820 -3.372 -5.456 1.00 0.00 H new ATOM 0 HE2 MET A 98 7.259 -1.719 -5.111 1.00 0.00 H new ATOM 0 HE3 MET A 98 8.902 -2.217 -4.641 1.00 0.00 H new ATOM 1603 N VAL A 99 7.520 -0.540 2.150 1.00 0.00 N ATOM 1604 CA VAL A 99 7.479 -0.718 3.597 1.00 0.00 C ATOM 1605 C VAL A 99 7.222 -2.174 3.977 1.00 0.00 C ATOM 1606 O VAL A 99 7.878 -2.719 4.865 1.00 0.00 O ATOM 1607 CB VAL A 99 6.395 0.167 4.242 1.00 0.00 C ATOM 1608 CG1 VAL A 99 6.668 1.636 3.960 1.00 0.00 C ATOM 1609 CG2 VAL A 99 5.010 -0.226 3.745 1.00 0.00 C ATOM 0 H VAL A 99 6.671 -0.140 1.751 1.00 0.00 H new ATOM 0 HA VAL A 99 8.457 -0.420 3.973 1.00 0.00 H new ATOM 0 HB VAL A 99 6.426 0.012 5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.892 2.246 4.423 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.639 1.911 4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.668 1.806 2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.261 0.412 4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.964 -0.105 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.813 -1.267 4.002 1.00 0.00 H new