USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 661 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 81 LYS NZ :NH3+ -173:sc= -0.0144 (180deg=-0.108) USER MOD Set 1.2: A 89 MET CE :methyl -128:sc= 0 (180deg=0) USER MOD Set 2.1: A 27 LYS NZ :NH3+ -138:sc= 1.58 (180deg=-0.297) USER MOD Set 2.2: A 31 ASN : amide:sc= -0.338 K(o=1.2,f=-0.95) USER MOD Single : A 22 LYS NZ :NH3+ -172:sc=-0.00429 (180deg=-0.0984) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 30 GLN :FLIP amide:sc= -0.925 F(o=-2.3!,f=-0.93) USER MOD Single : A 36 SER OG : rot 9:sc= 0.0815 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 55 ASN :FLIP amide:sc=-0.00488 F(o=-0.85,f=-0.0049) USER MOD Single : A 56 THR OG1 : rot -150:sc= 0.0586 USER MOD Single : A 63 THR OG1 : rot 6:sc= 1.08 USER MOD Single : A 71 THR OG1 : rot -16:sc= 0.248 USER MOD Single : A 74 ASN : amide:sc= -0.374 K(o=-0.37,f=-0.99) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 106:sc= 1.23 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -170:sc=-0.00743 (180deg=-0.091) USER MOD Single : A 91 GLN : amide:sc= -0.016 K(o=-0.016,f=-1.1) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 100 HIS : no HD1:sc= -0.0301 X(o=-0.03,f=-0.36) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -1.3 X(o=-1.3,f=-0.99) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 22 2.627 5.957 8.153 1.00 0.00 N ATOM 113 CA LYS A 22 1.402 5.232 7.879 1.00 0.00 C ATOM 114 C LYS A 22 0.308 6.225 7.534 1.00 0.00 C ATOM 115 O LYS A 22 0.196 7.269 8.174 1.00 0.00 O ATOM 116 CB LYS A 22 0.986 4.376 9.083 1.00 0.00 C ATOM 117 CG LYS A 22 0.674 5.182 10.331 1.00 0.00 C ATOM 118 CD LYS A 22 0.256 4.290 11.484 1.00 0.00 C ATOM 119 CE LYS A 22 -0.206 5.108 12.677 1.00 0.00 C ATOM 120 NZ LYS A 22 0.862 6.010 13.181 1.00 0.00 N ATOM 0 HA LYS A 22 1.568 4.559 7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.109 3.788 8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.785 3.670 9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.551 5.762 10.619 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.122 5.894 10.115 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.548 3.628 11.161 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.093 3.656 11.778 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.077 5.700 12.395 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.521 4.437 13.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.554 6.448 14.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.730 5.462 13.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.050 6.752 12.477 1.00 0.00 H new ATOM 134 N VAL A 23 -0.474 5.930 6.512 1.00 0.00 N ATOM 135 CA VAL A 23 -1.579 6.799 6.148 1.00 0.00 C ATOM 136 C VAL A 23 -2.844 5.979 5.970 1.00 0.00 C ATOM 137 O VAL A 23 -2.793 4.818 5.560 1.00 0.00 O ATOM 138 CB VAL A 23 -1.291 7.634 4.872 1.00 0.00 C ATOM 139 CG1 VAL A 23 -0.083 8.530 5.080 1.00 0.00 C ATOM 140 CG2 VAL A 23 -1.084 6.751 3.655 1.00 0.00 C ATOM 0 H VAL A 23 -0.367 5.104 5.924 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.713 7.510 6.963 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.167 8.256 4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.102 9.107 4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.273 9.210 5.911 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.790 7.917 5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.885 7.374 2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.237 6.087 3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.981 6.157 3.480 1.00 0.00 H new ATOM 150 N THR A 24 -3.972 6.571 6.308 1.00 0.00 N ATOM 151 CA THR A 24 -5.234 5.873 6.221 1.00 0.00 C ATOM 152 C THR A 24 -6.017 6.341 4.997 1.00 0.00 C ATOM 153 O THR A 24 -6.656 7.395 4.999 1.00 0.00 O ATOM 154 CB THR A 24 -6.060 6.043 7.524 1.00 0.00 C ATOM 155 OG1 THR A 24 -7.370 5.483 7.372 1.00 0.00 O ATOM 156 CG2 THR A 24 -6.169 7.507 7.936 1.00 0.00 C ATOM 0 H THR A 24 -4.038 7.532 6.644 1.00 0.00 H new ATOM 0 HA THR A 24 -5.031 4.808 6.105 1.00 0.00 H new ATOM 0 HB THR A 24 -5.531 5.507 8.312 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.874 5.599 8.204 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.754 7.585 8.852 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.172 7.912 8.107 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.659 8.073 7.143 1.00 0.00 H new ATOM 164 N LEU A 25 -5.933 5.555 3.936 1.00 0.00 N ATOM 165 CA LEU A 25 -6.607 5.873 2.691 1.00 0.00 C ATOM 166 C LEU A 25 -7.742 4.896 2.459 1.00 0.00 C ATOM 167 O LEU A 25 -8.160 4.186 3.374 1.00 0.00 O ATOM 168 CB LEU A 25 -5.616 5.784 1.537 1.00 0.00 C ATOM 169 CG LEU A 25 -4.308 6.530 1.757 1.00 0.00 C ATOM 170 CD1 LEU A 25 -3.284 6.072 0.739 1.00 0.00 C ATOM 171 CD2 LEU A 25 -4.529 8.032 1.666 1.00 0.00 C ATOM 0 H LEU A 25 -5.400 4.686 3.914 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.008 6.885 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.392 4.734 1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.092 6.173 0.637 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.933 6.308 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.348 6.607 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.113 5.001 0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.653 6.277 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.583 8.549 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.918 8.283 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.245 8.341 2.428 1.00 0.00 H new ATOM 183 N GLN A 26 -8.231 4.845 1.235 1.00 0.00 N ATOM 184 CA GLN A 26 -9.299 3.953 0.900 1.00 0.00 C ATOM 185 C GLN A 26 -9.200 3.541 -0.563 1.00 0.00 C ATOM 186 O GLN A 26 -8.586 4.241 -1.369 1.00 0.00 O ATOM 187 CB GLN A 26 -10.620 4.632 1.220 1.00 0.00 C ATOM 188 CG GLN A 26 -11.056 5.669 0.208 1.00 0.00 C ATOM 189 CD GLN A 26 -12.209 6.508 0.718 1.00 0.00 C ATOM 190 OE1 GLN A 26 -12.959 5.969 1.672 1.00 0.00 O flip ATOM 191 NE2 GLN A 26 -12.394 7.650 0.293 1.00 0.00 N flip ATOM 0 H GLN A 26 -7.897 5.418 0.460 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.232 3.039 1.490 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.396 3.870 1.297 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.542 5.108 2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.214 6.318 -0.032 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.350 5.172 -0.717 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.793 8.024 -0.441 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.148 8.221 0.676 1.00 0.00 H new ATOM 200 N LYS A 27 -9.784 2.394 -0.879 1.00 0.00 N ATOM 201 CA LYS A 27 -9.683 1.790 -2.209 1.00 0.00 C ATOM 202 C LYS A 27 -10.069 2.767 -3.307 1.00 0.00 C ATOM 203 O LYS A 27 -10.943 3.620 -3.136 1.00 0.00 O ATOM 204 CB LYS A 27 -10.582 0.553 -2.317 1.00 0.00 C ATOM 205 CG LYS A 27 -10.394 -0.442 -1.203 1.00 0.00 C ATOM 206 CD LYS A 27 -9.109 -1.191 -1.402 1.00 0.00 C ATOM 207 CE LYS A 27 -9.212 -2.216 -2.515 1.00 0.00 C ATOM 208 NZ LYS A 27 -10.377 -3.126 -2.356 1.00 0.00 N ATOM 0 H LYS A 27 -10.344 1.851 -0.222 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.639 1.505 -2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.624 0.874 -2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.388 0.058 -3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.381 0.072 -0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.232 -1.139 -1.180 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.311 -0.485 -1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.834 -1.691 -0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.288 -1.700 -3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.297 -2.807 -2.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.091 -4.099 -2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.717 -3.086 -1.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.139 -2.830 -2.998 1.00 0.00 H new ATOM 222 N ASP A 28 -9.406 2.611 -4.434 1.00 0.00 N ATOM 223 CA ASP A 28 -9.671 3.396 -5.623 1.00 0.00 C ATOM 224 C ASP A 28 -10.801 2.731 -6.394 1.00 0.00 C ATOM 225 O ASP A 28 -11.223 1.634 -6.026 1.00 0.00 O ATOM 226 CB ASP A 28 -8.392 3.463 -6.475 1.00 0.00 C ATOM 227 CG ASP A 28 -8.533 4.296 -7.732 1.00 0.00 C ATOM 228 OD1 ASP A 28 -8.445 5.535 -7.643 1.00 0.00 O ATOM 229 OD2 ASP A 28 -8.728 3.711 -8.816 1.00 0.00 O ATOM 0 H ASP A 28 -8.659 1.927 -4.552 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.966 4.412 -5.362 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.585 3.873 -5.868 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.099 2.451 -6.753 1.00 0.00 H new ATOM 234 N ALA A 29 -11.287 3.358 -7.451 1.00 0.00 N ATOM 235 CA ALA A 29 -12.291 2.734 -8.304 1.00 0.00 C ATOM 236 C ALA A 29 -11.758 1.426 -8.887 1.00 0.00 C ATOM 237 O ALA A 29 -12.524 0.542 -9.272 1.00 0.00 O ATOM 238 CB ALA A 29 -12.698 3.681 -9.418 1.00 0.00 C ATOM 0 H ALA A 29 -11.006 4.295 -7.741 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.169 2.510 -7.699 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.448 3.202 -10.047 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.114 4.592 -8.987 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.825 3.930 -10.021 1.00 0.00 H new ATOM 244 N GLN A 30 -10.433 1.301 -8.901 1.00 0.00 N ATOM 245 CA GLN A 30 -9.760 0.140 -9.459 1.00 0.00 C ATOM 246 C GLN A 30 -9.663 -0.957 -8.414 1.00 0.00 C ATOM 247 O GLN A 30 -9.101 -2.028 -8.661 1.00 0.00 O ATOM 248 CB GLN A 30 -8.366 0.539 -9.893 1.00 0.00 C ATOM 249 CG GLN A 30 -8.014 0.137 -11.314 1.00 0.00 C ATOM 250 CD GLN A 30 -6.566 0.429 -11.638 1.00 0.00 C ATOM 251 OE1 GLN A 30 -5.700 -0.536 -11.383 1.00 0.00 O flip ATOM 252 NE2 GLN A 30 -6.227 1.514 -12.111 1.00 0.00 N flip ATOM 0 H GLN A 30 -9.799 2.005 -8.524 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.327 -0.230 -10.313 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.264 1.620 -9.798 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.644 0.090 -9.211 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.209 -0.927 -11.450 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.658 0.671 -12.013 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.928 2.232 -12.293 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.245 1.694 -12.321 1.00 0.00 H new ATOM 261 N ASN A 31 -10.171 -0.639 -7.229 1.00 0.00 N ATOM 262 CA ASN A 31 -10.220 -1.573 -6.107 1.00 0.00 C ATOM 263 C ASN A 31 -8.813 -1.840 -5.600 1.00 0.00 C ATOM 264 O ASN A 31 -8.451 -2.954 -5.232 1.00 0.00 O ATOM 265 CB ASN A 31 -10.920 -2.866 -6.532 1.00 0.00 C ATOM 266 CG ASN A 31 -11.153 -3.860 -5.407 1.00 0.00 C ATOM 267 OD1 ASN A 31 -12.097 -3.728 -4.635 1.00 0.00 O ATOM 268 ND2 ASN A 31 -10.317 -4.882 -5.325 1.00 0.00 N ATOM 0 H ASN A 31 -10.563 0.279 -7.017 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.796 -1.136 -5.291 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.881 -2.613 -6.980 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.324 -3.348 -7.307 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.447 -5.591 -4.603 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.542 -4.961 -5.984 1.00 0.00 H new ATOM 275 N LEU A 32 -8.012 -0.801 -5.611 1.00 0.00 N ATOM 276 CA LEU A 32 -6.687 -0.867 -5.027 1.00 0.00 C ATOM 277 C LEU A 32 -6.218 0.510 -4.591 1.00 0.00 C ATOM 278 O LEU A 32 -7.033 1.419 -4.467 1.00 0.00 O ATOM 279 CB LEU A 32 -5.732 -1.488 -6.043 1.00 0.00 C ATOM 280 CG LEU A 32 -5.889 -1.015 -7.502 1.00 0.00 C ATOM 281 CD1 LEU A 32 -5.557 0.461 -7.669 1.00 0.00 C ATOM 282 CD2 LEU A 32 -5.023 -1.859 -8.418 1.00 0.00 C ATOM 0 H LEU A 32 -8.252 0.103 -6.018 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.710 -1.491 -4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.710 -1.281 -5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.861 -2.570 -6.018 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.937 -1.140 -7.776 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.683 0.746 -8.714 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.225 1.057 -7.047 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.525 0.638 -7.366 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.141 -1.517 -9.446 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.979 -1.764 -8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.327 -2.903 -8.346 1.00 0.00 H new ATOM 294 N ILE A 33 -4.924 0.677 -4.356 1.00 0.00 N ATOM 295 CA ILE A 33 -4.423 1.957 -3.923 1.00 0.00 C ATOM 296 C ILE A 33 -3.668 2.665 -5.036 1.00 0.00 C ATOM 297 O ILE A 33 -3.564 3.890 -5.039 1.00 0.00 O ATOM 298 CB ILE A 33 -3.516 1.839 -2.693 1.00 0.00 C ATOM 299 CG1 ILE A 33 -3.417 0.399 -2.201 1.00 0.00 C ATOM 300 CG2 ILE A 33 -4.056 2.728 -1.592 1.00 0.00 C ATOM 301 CD1 ILE A 33 -2.307 0.202 -1.190 1.00 0.00 C ATOM 0 H ILE A 33 -4.217 -0.051 -4.458 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.298 2.547 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.512 2.158 -2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.367 0.106 -1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.249 -0.261 -3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.416 2.649 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.075 3.762 -1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.067 2.413 -1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.283 -0.841 -0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.351 0.466 -1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.487 0.839 -0.324 1.00 0.00 H new ATOM 313 N GLY A 34 -3.153 1.895 -5.983 1.00 0.00 N ATOM 314 CA GLY A 34 -2.441 2.475 -7.105 1.00 0.00 C ATOM 315 C GLY A 34 -0.939 2.463 -6.915 1.00 0.00 C ATOM 316 O GLY A 34 -0.259 3.437 -7.242 1.00 0.00 O ATOM 0 H GLY A 34 -3.215 0.877 -5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.692 1.926 -8.012 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.776 3.502 -7.251 1.00 0.00 H new ATOM 320 N ILE A 35 -0.424 1.368 -6.375 1.00 0.00 N ATOM 321 CA ILE A 35 1.015 1.211 -6.170 1.00 0.00 C ATOM 322 C ILE A 35 1.508 -0.129 -6.675 1.00 0.00 C ATOM 323 O ILE A 35 0.730 -1.007 -7.058 1.00 0.00 O ATOM 324 CB ILE A 35 1.399 1.351 -4.680 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.527 0.457 -3.802 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.286 2.791 -4.237 1.00 0.00 C ATOM 327 CD1 ILE A 35 1.086 -0.922 -3.577 1.00 0.00 C ATOM 0 H ILE A 35 -0.981 0.570 -6.069 1.00 0.00 H new ATOM 0 HA ILE A 35 1.491 2.009 -6.740 1.00 0.00 H new ATOM 0 HB ILE A 35 2.435 1.030 -4.569 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.386 0.942 -2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.458 0.367 -4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.560 2.871 -3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.956 3.409 -4.834 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.260 3.134 -4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.406 -1.491 -2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.200 -1.429 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.058 -0.846 -3.089 1.00 0.00 H new ATOM 339 N SER A 36 2.813 -0.262 -6.671 1.00 0.00 N ATOM 340 CA SER A 36 3.478 -1.501 -6.994 1.00 0.00 C ATOM 341 C SER A 36 4.657 -1.687 -6.068 1.00 0.00 C ATOM 342 O SER A 36 5.484 -0.796 -5.931 1.00 0.00 O ATOM 343 CB SER A 36 3.926 -1.515 -8.453 1.00 0.00 C ATOM 344 OG SER A 36 2.818 -1.744 -9.293 1.00 0.00 O ATOM 0 H SER A 36 3.452 0.499 -6.440 1.00 0.00 H new ATOM 0 HA SER A 36 2.780 -2.328 -6.859 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.396 -0.565 -8.707 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.675 -2.292 -8.605 1.00 0.00 H new ATOM 0 HG SER A 36 1.993 -1.698 -8.766 1.00 0.00 H new ATOM 350 N ILE A 37 4.709 -2.827 -5.409 1.00 0.00 N ATOM 351 CA ILE A 37 5.760 -3.097 -4.431 1.00 0.00 C ATOM 352 C ILE A 37 6.518 -4.377 -4.829 1.00 0.00 C ATOM 353 O ILE A 37 6.361 -4.873 -5.945 1.00 0.00 O ATOM 354 CB ILE A 37 5.144 -3.204 -2.998 1.00 0.00 C ATOM 355 CG1 ILE A 37 4.203 -2.030 -2.735 1.00 0.00 C ATOM 356 CG2 ILE A 37 6.204 -3.230 -1.904 1.00 0.00 C ATOM 357 CD1 ILE A 37 3.517 -2.096 -1.386 1.00 0.00 C ATOM 0 H ILE A 37 4.038 -3.586 -5.528 1.00 0.00 H new ATOM 0 HA ILE A 37 6.475 -2.274 -4.418 1.00 0.00 H new ATOM 0 HB ILE A 37 4.599 -4.147 -2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.768 -1.100 -2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.445 -1.999 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.720 -3.305 -0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.858 -4.089 -2.051 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.793 -2.314 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.864 -1.231 -1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.925 -3.009 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.268 -2.095 -0.596 1.00 0.00 H new ATOM 369 N GLY A 38 7.344 -4.890 -3.936 1.00 0.00 N ATOM 370 CA GLY A 38 8.109 -6.085 -4.203 1.00 0.00 C ATOM 371 C GLY A 38 8.706 -6.646 -2.928 1.00 0.00 C ATOM 372 O GLY A 38 8.909 -5.906 -1.958 1.00 0.00 O ATOM 0 H GLY A 38 7.500 -4.490 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.469 -6.834 -4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.905 -5.860 -4.913 1.00 0.00 H new ATOM 514 N ILE A 49 8.320 -0.095 -2.192 1.00 0.00 N ATOM 515 CA ILE A 49 7.362 0.350 -3.186 1.00 0.00 C ATOM 516 C ILE A 49 8.111 0.814 -4.437 1.00 0.00 C ATOM 517 O ILE A 49 8.920 1.744 -4.405 1.00 0.00 O ATOM 518 CB ILE A 49 6.416 1.446 -2.620 1.00 0.00 C ATOM 519 CG1 ILE A 49 5.276 1.771 -3.596 1.00 0.00 C ATOM 520 CG2 ILE A 49 7.186 2.706 -2.285 1.00 0.00 C ATOM 521 CD1 ILE A 49 5.596 2.890 -4.564 1.00 0.00 C ATOM 0 HA ILE A 49 6.718 -0.485 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 49 5.976 1.048 -1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.029 0.873 -4.163 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.388 2.041 -3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.501 3.457 -1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.946 2.480 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.666 3.089 -3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.742 3.060 -5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.813 3.802 -4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.464 2.616 -5.163 1.00 0.00 H new ATOM 533 N VAL A 50 7.854 0.120 -5.528 1.00 0.00 N ATOM 534 CA VAL A 50 8.598 0.298 -6.760 1.00 0.00 C ATOM 535 C VAL A 50 8.005 1.408 -7.623 1.00 0.00 C ATOM 536 O VAL A 50 8.734 2.096 -8.340 1.00 0.00 O ATOM 537 CB VAL A 50 8.626 -1.022 -7.571 1.00 0.00 C ATOM 538 CG1 VAL A 50 9.474 -0.883 -8.827 1.00 0.00 C ATOM 539 CG2 VAL A 50 9.136 -2.171 -6.710 1.00 0.00 C ATOM 0 H VAL A 50 7.120 -0.586 -5.586 1.00 0.00 H new ATOM 0 HA VAL A 50 9.614 0.582 -6.485 1.00 0.00 H new ATOM 0 HB VAL A 50 7.604 -1.243 -7.879 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.473 -1.826 -9.373 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.061 -0.097 -9.459 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.496 -0.626 -8.549 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.148 -3.089 -7.298 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.146 -1.947 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.480 -2.300 -5.849 1.00 0.00 H new ATOM 549 N GLN A 51 6.692 1.611 -7.541 1.00 0.00 N ATOM 550 CA GLN A 51 6.027 2.529 -8.447 1.00 0.00 C ATOM 551 C GLN A 51 4.700 3.005 -7.879 1.00 0.00 C ATOM 552 O GLN A 51 3.982 2.247 -7.223 1.00 0.00 O ATOM 553 CB GLN A 51 5.820 1.858 -9.815 1.00 0.00 C ATOM 554 CG GLN A 51 4.416 2.005 -10.373 1.00 0.00 C ATOM 555 CD GLN A 51 4.259 1.368 -11.734 1.00 0.00 C ATOM 556 OE1 GLN A 51 5.200 1.320 -12.524 1.00 0.00 O ATOM 557 NE2 GLN A 51 3.073 0.865 -12.013 1.00 0.00 N ATOM 0 H GLN A 51 6.079 1.156 -6.864 1.00 0.00 H new ATOM 0 HA GLN A 51 6.664 3.405 -8.573 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.528 2.283 -10.527 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.055 0.797 -9.726 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.705 1.553 -9.681 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.166 3.064 -10.441 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.319 0.926 -11.329 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.909 0.414 -12.913 1.00 0.00 H new ATOM 566 N VAL A 52 4.395 4.267 -8.125 1.00 0.00 N ATOM 567 CA VAL A 52 3.108 4.835 -7.769 1.00 0.00 C ATOM 568 C VAL A 52 2.654 5.770 -8.881 1.00 0.00 C ATOM 569 O VAL A 52 3.463 6.207 -9.699 1.00 0.00 O ATOM 570 CB VAL A 52 3.158 5.605 -6.431 1.00 0.00 C ATOM 571 CG1 VAL A 52 3.863 6.940 -6.591 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.763 5.801 -5.868 1.00 0.00 C ATOM 0 H VAL A 52 5.031 4.925 -8.576 1.00 0.00 H new ATOM 0 HA VAL A 52 2.402 4.014 -7.644 1.00 0.00 H new ATOM 0 HB VAL A 52 3.732 5.005 -5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.882 7.458 -5.632 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.884 6.773 -6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.329 7.548 -7.322 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.824 6.346 -4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.161 6.369 -6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.300 4.829 -5.696 1.00 0.00 H new ATOM 582 N PHE A 53 1.369 6.062 -8.921 1.00 0.00 N ATOM 583 CA PHE A 53 0.833 6.960 -9.931 1.00 0.00 C ATOM 584 C PHE A 53 0.696 8.374 -9.358 1.00 0.00 C ATOM 585 O PHE A 53 1.633 8.868 -8.726 1.00 0.00 O ATOM 586 CB PHE A 53 -0.495 6.419 -10.453 1.00 0.00 C ATOM 587 CG PHE A 53 -0.373 5.027 -11.008 1.00 0.00 C ATOM 588 CD1 PHE A 53 0.212 4.810 -12.245 1.00 0.00 C ATOM 589 CD2 PHE A 53 -0.832 3.936 -10.289 1.00 0.00 C ATOM 590 CE1 PHE A 53 0.337 3.531 -12.752 1.00 0.00 C ATOM 591 CE2 PHE A 53 -0.711 2.655 -10.793 1.00 0.00 C ATOM 592 CZ PHE A 53 -0.126 2.452 -12.025 1.00 0.00 C ATOM 0 H PHE A 53 0.677 5.693 -8.269 1.00 0.00 H new ATOM 0 HA PHE A 53 1.520 7.017 -10.775 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.227 6.421 -9.645 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.874 7.084 -11.229 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.574 5.650 -12.819 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.290 4.088 -9.323 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.797 3.375 -13.717 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.074 1.813 -10.222 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.030 1.452 -12.420 1.00 0.00 H new ATOM 602 N ASP A 54 -0.435 9.038 -9.574 1.00 0.00 N ATOM 603 CA ASP A 54 -0.634 10.371 -8.990 1.00 0.00 C ATOM 604 C ASP A 54 -2.065 10.593 -8.494 1.00 0.00 C ATOM 605 O ASP A 54 -2.286 11.274 -7.493 1.00 0.00 O ATOM 606 CB ASP A 54 -0.273 11.444 -10.012 1.00 0.00 C ATOM 607 CG ASP A 54 0.051 12.775 -9.364 1.00 0.00 C ATOM 608 OD1 ASP A 54 1.211 12.963 -8.935 1.00 0.00 O ATOM 609 OD2 ASP A 54 -0.841 13.646 -9.284 1.00 0.00 O ATOM 0 H ASP A 54 -1.214 8.691 -10.134 1.00 0.00 H new ATOM 0 HA ASP A 54 0.022 10.440 -8.123 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.584 11.110 -10.598 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.103 11.574 -10.707 1.00 0.00 H new ATOM 614 N ASN A 55 -3.027 9.999 -9.175 1.00 0.00 N ATOM 615 CA ASN A 55 -4.436 10.231 -8.896 1.00 0.00 C ATOM 616 C ASN A 55 -5.008 9.086 -8.088 1.00 0.00 C ATOM 617 O ASN A 55 -6.197 9.067 -7.770 1.00 0.00 O ATOM 618 CB ASN A 55 -5.227 10.386 -10.198 1.00 0.00 C ATOM 619 CG ASN A 55 -4.812 11.589 -11.019 1.00 0.00 C ATOM 620 OD1 ASN A 55 -4.493 12.683 -10.354 1.00 0.00 O flip ATOM 621 ND2 ASN A 55 -4.803 11.541 -12.248 1.00 0.00 N flip ATOM 0 H ASN A 55 -2.856 9.342 -9.937 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.520 11.153 -8.321 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.102 9.485 -10.799 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.288 10.466 -9.962 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.056 10.676 -12.726 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.543 12.366 -12.789 1.00 0.00 H new ATOM 628 N THR A 56 -4.167 8.122 -7.769 1.00 0.00 N ATOM 629 CA THR A 56 -4.589 7.007 -6.961 1.00 0.00 C ATOM 630 C THR A 56 -4.490 7.413 -5.510 1.00 0.00 C ATOM 631 O THR A 56 -3.669 8.272 -5.194 1.00 0.00 O ATOM 632 CB THR A 56 -3.714 5.771 -7.220 1.00 0.00 C ATOM 633 OG1 THR A 56 -2.361 6.024 -6.808 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.724 5.419 -8.691 1.00 0.00 C ATOM 0 H THR A 56 -3.190 8.093 -8.059 1.00 0.00 H new ATOM 0 HA THR A 56 -5.615 6.743 -7.217 1.00 0.00 H new ATOM 0 HB THR A 56 -4.121 4.939 -6.645 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.747 5.501 -7.364 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.100 4.541 -8.859 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.745 5.204 -9.007 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.334 6.257 -9.268 1.00 0.00 H new ATOM 642 N PRO A 57 -5.304 6.855 -4.609 1.00 0.00 N ATOM 643 CA PRO A 57 -5.304 7.291 -3.217 1.00 0.00 C ATOM 644 C PRO A 57 -3.903 7.249 -2.633 1.00 0.00 C ATOM 645 O PRO A 57 -3.478 8.170 -1.936 1.00 0.00 O ATOM 646 CB PRO A 57 -6.221 6.290 -2.502 1.00 0.00 C ATOM 647 CG PRO A 57 -6.484 5.191 -3.483 1.00 0.00 C ATOM 648 CD PRO A 57 -6.256 5.761 -4.853 1.00 0.00 C ATOM 0 HA PRO A 57 -5.646 8.320 -3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.746 5.902 -1.601 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.151 6.766 -2.192 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.820 4.346 -3.302 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.505 4.822 -3.384 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.847 5.016 -5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.183 6.125 -5.297 1.00 0.00 H new ATOM 656 N ALA A 58 -3.190 6.187 -2.975 1.00 0.00 N ATOM 657 CA ALA A 58 -1.807 5.995 -2.561 1.00 0.00 C ATOM 658 C ALA A 58 -0.918 7.140 -3.003 1.00 0.00 C ATOM 659 O ALA A 58 -0.114 7.652 -2.228 1.00 0.00 O ATOM 660 CB ALA A 58 -1.277 4.718 -3.155 1.00 0.00 C ATOM 0 H ALA A 58 -3.556 5.429 -3.551 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.795 5.952 -1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.242 4.575 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.879 3.878 -2.809 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.325 4.775 -4.242 1.00 0.00 H new ATOM 666 N ALA A 59 -1.037 7.521 -4.261 1.00 0.00 N ATOM 667 CA ALA A 59 -0.225 8.597 -4.778 1.00 0.00 C ATOM 668 C ALA A 59 -0.694 9.933 -4.231 1.00 0.00 C ATOM 669 O ALA A 59 0.070 10.669 -3.607 1.00 0.00 O ATOM 670 CB ALA A 59 -0.295 8.608 -6.283 1.00 0.00 C ATOM 0 H ALA A 59 -1.681 7.105 -4.934 1.00 0.00 H new ATOM 0 HA ALA A 59 0.806 8.437 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.319 9.421 -6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.074 7.659 -6.671 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.328 8.752 -6.598 1.00 0.00 H new ATOM 676 N LEU A 60 -1.968 10.219 -4.468 1.00 0.00 N ATOM 677 CA LEU A 60 -2.541 11.531 -4.184 1.00 0.00 C ATOM 678 C LEU A 60 -2.379 12.017 -2.733 1.00 0.00 C ATOM 679 O LEU A 60 -1.547 12.879 -2.459 1.00 0.00 O ATOM 680 CB LEU A 60 -3.992 11.570 -4.653 1.00 0.00 C ATOM 681 CG LEU A 60 -5.079 10.903 -3.838 1.00 0.00 C ATOM 682 CD1 LEU A 60 -5.722 11.952 -2.969 1.00 0.00 C ATOM 683 CD2 LEU A 60 -6.098 10.292 -4.768 1.00 0.00 C ATOM 0 H LEU A 60 -2.632 9.552 -4.861 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.955 12.252 -4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.268 12.619 -4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.020 11.129 -5.650 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.664 10.112 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.510 11.495 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.972 12.388 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.150 12.733 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.882 9.811 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.536 11.072 -5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.613 9.551 -5.403 1.00 0.00 H new ATOM 695 N ASP A 61 -3.158 11.477 -1.823 1.00 0.00 N ATOM 696 CA ASP A 61 -3.107 11.874 -0.419 1.00 0.00 C ATOM 697 C ASP A 61 -2.197 10.928 0.307 1.00 0.00 C ATOM 698 O ASP A 61 -1.758 11.164 1.433 1.00 0.00 O ATOM 699 CB ASP A 61 -4.514 11.843 0.188 1.00 0.00 C ATOM 700 CG ASP A 61 -4.553 12.299 1.633 1.00 0.00 C ATOM 701 OD1 ASP A 61 -4.313 13.497 1.886 1.00 0.00 O ATOM 702 OD2 ASP A 61 -4.854 11.468 2.518 1.00 0.00 O ATOM 0 H ASP A 61 -3.846 10.752 -2.026 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.725 12.891 -0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.172 12.479 -0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.908 10.829 0.123 1.00 0.00 H new ATOM 707 N GLY A 62 -1.911 9.856 -0.393 1.00 0.00 N ATOM 708 CA GLY A 62 -1.240 8.719 0.215 1.00 0.00 C ATOM 709 C GLY A 62 0.165 9.015 0.691 1.00 0.00 C ATOM 710 O GLY A 62 0.513 8.717 1.829 1.00 0.00 O ATOM 0 H GLY A 62 -2.130 9.742 -1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.833 8.370 1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.204 7.903 -0.507 1.00 0.00 H new ATOM 714 N THR A 63 0.966 9.586 -0.195 1.00 0.00 N ATOM 715 CA THR A 63 2.374 9.890 0.069 1.00 0.00 C ATOM 716 C THR A 63 3.119 8.631 0.465 1.00 0.00 C ATOM 717 O THR A 63 3.916 8.596 1.404 1.00 0.00 O ATOM 718 CB THR A 63 2.561 11.017 1.104 1.00 0.00 C ATOM 719 OG1 THR A 63 2.067 10.649 2.402 1.00 0.00 O ATOM 720 CG2 THR A 63 1.829 12.239 0.606 1.00 0.00 C ATOM 0 H THR A 63 0.659 9.856 -1.129 1.00 0.00 H new ATOM 0 HA THR A 63 2.804 10.269 -0.858 1.00 0.00 H new ATOM 0 HB THR A 63 3.627 11.216 1.214 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.787 9.710 2.391 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.947 13.051 1.323 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.240 12.542 -0.357 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.770 12.007 0.491 1.00 0.00 H new ATOM 728 N VAL A 64 2.797 7.598 -0.277 1.00 0.00 N ATOM 729 CA VAL A 64 3.461 6.308 -0.185 1.00 0.00 C ATOM 730 C VAL A 64 4.097 5.987 -1.530 1.00 0.00 C ATOM 731 O VAL A 64 3.970 4.887 -2.072 1.00 0.00 O ATOM 732 CB VAL A 64 2.478 5.188 0.210 1.00 0.00 C ATOM 733 CG1 VAL A 64 1.943 5.420 1.606 1.00 0.00 C ATOM 734 CG2 VAL A 64 1.329 5.117 -0.777 1.00 0.00 C ATOM 0 H VAL A 64 2.054 7.625 -0.975 1.00 0.00 H new ATOM 0 HA VAL A 64 4.223 6.364 0.593 1.00 0.00 H new ATOM 0 HB VAL A 64 3.017 4.241 0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.251 4.620 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.770 5.431 2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.422 6.377 1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.645 4.321 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.797 6.068 -0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.718 4.911 -1.774 1.00 0.00 H new ATOM 744 N ALA A 65 4.798 6.970 -2.050 1.00 0.00 N ATOM 745 CA ALA A 65 5.313 6.921 -3.402 1.00 0.00 C ATOM 746 C ALA A 65 6.635 6.178 -3.469 1.00 0.00 C ATOM 747 O ALA A 65 7.204 5.810 -2.441 1.00 0.00 O ATOM 748 CB ALA A 65 5.480 8.333 -3.941 1.00 0.00 C ATOM 0 H ALA A 65 5.028 7.827 -1.547 1.00 0.00 H new ATOM 0 HA ALA A 65 4.595 6.378 -4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.868 8.290 -4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.514 8.839 -3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.178 8.883 -3.310 1.00 0.00 H new ATOM 754 N ALA A 66 7.112 5.974 -4.693 1.00 0.00 N ATOM 755 CA ALA A 66 8.325 5.212 -4.953 1.00 0.00 C ATOM 756 C ALA A 66 9.476 5.664 -4.061 1.00 0.00 C ATOM 757 O ALA A 66 10.005 6.764 -4.220 1.00 0.00 O ATOM 758 CB ALA A 66 8.694 5.342 -6.422 1.00 0.00 C ATOM 0 H ALA A 66 6.664 6.335 -5.535 1.00 0.00 H new ATOM 0 HA ALA A 66 8.135 4.165 -4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.602 4.773 -6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.881 4.955 -7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.864 6.391 -6.663 1.00 0.00 H new ATOM 764 N GLY A 67 9.838 4.820 -3.106 1.00 0.00 N ATOM 765 CA GLY A 67 10.888 5.167 -2.173 1.00 0.00 C ATOM 766 C GLY A 67 10.559 4.769 -0.749 1.00 0.00 C ATOM 767 O GLY A 67 11.450 4.693 0.096 1.00 0.00 O ATOM 0 H GLY A 67 9.422 3.900 -2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.814 4.680 -2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.064 6.242 -2.214 1.00 0.00 H new ATOM 771 N ASP A 68 9.285 4.515 -0.471 1.00 0.00 N ATOM 772 CA ASP A 68 8.874 4.124 0.871 1.00 0.00 C ATOM 773 C ASP A 68 8.907 2.605 1.031 1.00 0.00 C ATOM 774 O ASP A 68 8.847 1.863 0.048 1.00 0.00 O ATOM 775 CB ASP A 68 7.478 4.672 1.192 1.00 0.00 C ATOM 776 CG ASP A 68 7.479 6.172 1.429 1.00 0.00 C ATOM 777 OD1 ASP A 68 7.937 6.611 2.505 1.00 0.00 O ATOM 778 OD2 ASP A 68 7.035 6.926 0.538 1.00 0.00 O ATOM 0 H ASP A 68 8.526 4.572 -1.150 1.00 0.00 H new ATOM 0 HA ASP A 68 9.582 4.554 1.579 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.802 4.438 0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.089 4.168 2.077 1.00 0.00 H new ATOM 783 N GLU A 69 9.024 2.152 2.270 1.00 0.00 N ATOM 784 CA GLU A 69 9.118 0.727 2.572 1.00 0.00 C ATOM 785 C GLU A 69 7.895 0.270 3.370 1.00 0.00 C ATOM 786 O GLU A 69 7.840 0.451 4.586 1.00 0.00 O ATOM 787 CB GLU A 69 10.382 0.449 3.389 1.00 0.00 C ATOM 788 CG GLU A 69 11.661 1.011 2.781 1.00 0.00 C ATOM 789 CD GLU A 69 12.247 0.134 1.694 1.00 0.00 C ATOM 790 OE1 GLU A 69 12.921 -0.861 2.034 1.00 0.00 O ATOM 791 OE2 GLU A 69 12.063 0.450 0.502 1.00 0.00 O ATOM 0 H GLU A 69 9.057 2.755 3.092 1.00 0.00 H new ATOM 0 HA GLU A 69 9.160 0.177 1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.254 0.868 4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.494 -0.629 3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.455 1.999 2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.402 1.143 3.570 1.00 0.00 H new ATOM 798 N ILE A 70 6.921 -0.315 2.688 1.00 0.00 N ATOM 799 CA ILE A 70 5.700 -0.782 3.334 1.00 0.00 C ATOM 800 C ILE A 70 5.981 -2.036 4.159 1.00 0.00 C ATOM 801 O ILE A 70 6.322 -3.089 3.619 1.00 0.00 O ATOM 802 CB ILE A 70 4.563 -1.069 2.313 1.00 0.00 C ATOM 803 CG1 ILE A 70 4.039 0.230 1.680 1.00 0.00 C ATOM 804 CG2 ILE A 70 3.416 -1.823 2.976 1.00 0.00 C ATOM 805 CD1 ILE A 70 4.987 0.871 0.689 1.00 0.00 C ATOM 0 H ILE A 70 6.952 -0.479 1.682 1.00 0.00 H new ATOM 0 HA ILE A 70 5.360 0.020 3.989 1.00 0.00 H new ATOM 0 HB ILE A 70 4.984 -1.691 1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.095 0.019 1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.824 0.946 2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.633 -2.012 2.242 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.783 -2.772 3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.011 -1.225 3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.537 1.781 0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.924 1.117 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.183 0.177 -0.128 1.00 0.00 H new ATOM 817 N THR A 71 5.830 -1.914 5.469 1.00 0.00 N ATOM 818 CA THR A 71 6.142 -3.002 6.378 1.00 0.00 C ATOM 819 C THR A 71 4.888 -3.788 6.765 1.00 0.00 C ATOM 820 O THR A 71 4.985 -4.875 7.341 1.00 0.00 O ATOM 821 CB THR A 71 6.850 -2.484 7.652 1.00 0.00 C ATOM 822 OG1 THR A 71 7.073 -3.558 8.580 1.00 0.00 O ATOM 823 CG2 THR A 71 6.038 -1.388 8.327 1.00 0.00 C ATOM 0 H THR A 71 5.492 -1.067 5.926 1.00 0.00 H new ATOM 0 HA THR A 71 6.820 -3.672 5.849 1.00 0.00 H new ATOM 0 HB THR A 71 7.810 -2.068 7.347 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.508 -4.322 8.338 1.00 0.00 H new ATOM 0 HG21 THR A 71 6.561 -1.044 9.219 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.909 -0.553 7.638 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.061 -1.780 8.608 1.00 0.00 H new ATOM 831 N GLY A 72 3.713 -3.251 6.456 1.00 0.00 N ATOM 832 CA GLY A 72 2.497 -3.969 6.768 1.00 0.00 C ATOM 833 C GLY A 72 1.289 -3.501 5.996 1.00 0.00 C ATOM 834 O GLY A 72 1.130 -2.310 5.712 1.00 0.00 O ATOM 0 H GLY A 72 3.583 -2.347 6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.653 -5.029 6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.294 -3.871 7.834 1.00 0.00 H new ATOM 838 N VAL A 73 0.438 -4.462 5.671 1.00 0.00 N ATOM 839 CA VAL A 73 -0.792 -4.214 4.954 1.00 0.00 C ATOM 840 C VAL A 73 -1.950 -4.203 5.916 1.00 0.00 C ATOM 841 O VAL A 73 -1.977 -4.990 6.863 1.00 0.00 O ATOM 842 CB VAL A 73 -1.082 -5.311 3.909 1.00 0.00 C ATOM 843 CG1 VAL A 73 0.126 -5.568 3.065 1.00 0.00 C ATOM 844 CG2 VAL A 73 -1.529 -6.612 4.563 1.00 0.00 C ATOM 0 H VAL A 73 0.588 -5.444 5.902 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.676 -3.254 4.452 1.00 0.00 H new ATOM 0 HB VAL A 73 -1.895 -4.947 3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.099 -6.345 2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.409 -4.652 2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.950 -5.894 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.723 -7.358 3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.745 -6.973 5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.439 -6.437 5.136 1.00 0.00 H new ATOM 854 N ASN A 74 -2.883 -3.295 5.698 1.00 0.00 N ATOM 855 CA ASN A 74 -4.188 -3.389 6.326 1.00 0.00 C ATOM 856 C ASN A 74 -4.061 -3.523 7.857 1.00 0.00 C ATOM 857 O ASN A 74 -4.892 -4.137 8.526 1.00 0.00 O ATOM 858 CB ASN A 74 -4.924 -4.577 5.679 1.00 0.00 C ATOM 859 CG ASN A 74 -6.362 -4.746 6.137 1.00 0.00 C ATOM 860 OD1 ASN A 74 -7.011 -3.791 6.566 1.00 0.00 O ATOM 861 ND2 ASN A 74 -6.882 -5.957 6.009 1.00 0.00 N ATOM 0 H ASN A 74 -2.762 -2.484 5.091 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.766 -2.479 6.165 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.912 -4.450 4.596 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.375 -5.493 5.899 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.854 -6.125 6.270 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.311 -6.722 5.649 1.00 0.00 H new ATOM 868 N GLY A 75 -2.982 -2.950 8.394 1.00 0.00 N ATOM 869 CA GLY A 75 -2.772 -2.929 9.829 1.00 0.00 C ATOM 870 C GLY A 75 -1.791 -3.979 10.337 1.00 0.00 C ATOM 871 O GLY A 75 -1.335 -3.889 11.477 1.00 0.00 O ATOM 0 H GLY A 75 -2.246 -2.497 7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.410 -1.942 10.117 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.731 -3.074 10.326 1.00 0.00 H new ATOM 875 N ARG A 76 -1.454 -4.970 9.518 1.00 0.00 N ATOM 876 CA ARG A 76 -0.616 -6.065 9.964 1.00 0.00 C ATOM 877 C ARG A 76 0.594 -6.268 9.048 1.00 0.00 C ATOM 878 O ARG A 76 0.524 -6.013 7.851 1.00 0.00 O ATOM 879 CB ARG A 76 -1.466 -7.321 10.022 1.00 0.00 C ATOM 880 CG ARG A 76 -2.158 -7.657 8.718 1.00 0.00 C ATOM 881 CD ARG A 76 -3.280 -8.657 8.931 1.00 0.00 C ATOM 882 NE ARG A 76 -4.375 -8.088 9.719 1.00 0.00 N ATOM 883 CZ ARG A 76 -5.383 -8.800 10.222 1.00 0.00 C ATOM 884 NH1 ARG A 76 -5.417 -10.120 10.072 1.00 0.00 N ATOM 885 NH2 ARG A 76 -6.352 -8.190 10.889 1.00 0.00 N ATOM 0 H ARG A 76 -1.750 -5.033 8.544 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.220 -5.832 10.952 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.835 -8.161 10.314 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.219 -7.202 10.801 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.559 -6.747 8.272 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.433 -8.065 8.014 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.661 -8.987 7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.889 -9.540 9.437 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.366 -7.083 9.894 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.668 -10.596 9.569 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.192 -10.658 10.460 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.325 -7.178 11.016 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.125 -8.732 11.275 1.00 0.00 H new ATOM 899 N SER A 77 1.698 -6.743 9.628 1.00 0.00 N ATOM 900 CA SER A 77 2.954 -6.937 8.897 1.00 0.00 C ATOM 901 C SER A 77 2.764 -7.865 7.693 1.00 0.00 C ATOM 902 O SER A 77 1.951 -8.789 7.729 1.00 0.00 O ATOM 903 CB SER A 77 4.012 -7.514 9.840 1.00 0.00 C ATOM 904 OG SER A 77 4.192 -6.688 10.982 1.00 0.00 O ATOM 0 H SER A 77 1.748 -7.003 10.613 1.00 0.00 H new ATOM 0 HA SER A 77 3.284 -5.968 8.522 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.714 -8.514 10.155 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.959 -7.616 9.309 1.00 0.00 H new ATOM 0 HG SER A 77 4.872 -7.082 11.567 1.00 0.00 H new ATOM 910 N ILE A 78 3.545 -7.632 6.637 1.00 0.00 N ATOM 911 CA ILE A 78 3.355 -8.331 5.373 1.00 0.00 C ATOM 912 C ILE A 78 4.082 -9.661 5.371 1.00 0.00 C ATOM 913 O ILE A 78 3.785 -10.551 4.573 1.00 0.00 O ATOM 914 CB ILE A 78 3.884 -7.520 4.174 1.00 0.00 C ATOM 915 CG1 ILE A 78 5.420 -7.566 4.091 1.00 0.00 C ATOM 916 CG2 ILE A 78 3.412 -6.080 4.248 1.00 0.00 C ATOM 917 CD1 ILE A 78 6.151 -6.854 5.213 1.00 0.00 C ATOM 0 H ILE A 78 4.315 -6.963 6.636 1.00 0.00 H new ATOM 0 HA ILE A 78 2.279 -8.476 5.273 1.00 0.00 H new ATOM 0 HB ILE A 78 3.482 -7.979 3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.736 -8.609 4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.730 -7.128 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.797 -5.526 3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.322 -6.053 4.237 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.777 -5.624 5.169 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.227 -6.945 5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.873 -5.800 5.217 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.879 -7.305 6.168 1.00 0.00 H new ATOM 929 N LYS A 79 5.039 -9.780 6.280 1.00 0.00 N ATOM 930 CA LYS A 79 5.964 -10.899 6.299 1.00 0.00 C ATOM 931 C LYS A 79 5.251 -12.202 6.652 1.00 0.00 C ATOM 932 O LYS A 79 5.825 -13.286 6.566 1.00 0.00 O ATOM 933 CB LYS A 79 7.096 -10.592 7.281 1.00 0.00 C ATOM 934 CG LYS A 79 8.129 -11.703 7.408 1.00 0.00 C ATOM 935 CD LYS A 79 9.265 -11.320 8.340 1.00 0.00 C ATOM 936 CE LYS A 79 10.142 -10.226 7.747 1.00 0.00 C ATOM 937 NZ LYS A 79 11.284 -9.886 8.636 1.00 0.00 N ATOM 0 H LYS A 79 5.194 -9.101 7.025 1.00 0.00 H new ATOM 0 HA LYS A 79 6.386 -11.036 5.303 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.599 -9.678 6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.667 -10.396 8.264 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.645 -12.607 7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.532 -11.938 6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.855 -10.981 9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.874 -12.199 8.550 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.521 -10.550 6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.541 -9.334 7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.856 -9.137 8.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.923 -9.552 9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.873 -10.730 8.783 1.00 0.00 H new ATOM 951 N GLY A 80 3.987 -12.088 7.027 1.00 0.00 N ATOM 952 CA GLY A 80 3.189 -13.260 7.289 1.00 0.00 C ATOM 953 C GLY A 80 2.919 -14.064 6.030 1.00 0.00 C ATOM 954 O GLY A 80 2.743 -15.282 6.100 1.00 0.00 O ATOM 0 H GLY A 80 3.501 -11.201 7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.700 -13.890 8.017 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.241 -12.960 7.736 1.00 0.00 H new ATOM 958 N LYS A 81 2.898 -13.398 4.872 1.00 0.00 N ATOM 959 CA LYS A 81 2.583 -14.084 3.625 1.00 0.00 C ATOM 960 C LYS A 81 3.482 -13.616 2.473 1.00 0.00 C ATOM 961 O LYS A 81 4.678 -13.396 2.670 1.00 0.00 O ATOM 962 CB LYS A 81 1.089 -13.929 3.277 1.00 0.00 C ATOM 963 CG LYS A 81 0.621 -12.505 2.982 1.00 0.00 C ATOM 964 CD LYS A 81 0.672 -11.592 4.199 1.00 0.00 C ATOM 965 CE LYS A 81 -0.160 -12.127 5.358 1.00 0.00 C ATOM 966 NZ LYS A 81 -1.570 -12.387 4.967 1.00 0.00 N ATOM 0 H LYS A 81 3.092 -12.401 4.776 1.00 0.00 H new ATOM 0 HA LYS A 81 2.785 -15.145 3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.871 -14.551 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.499 -14.321 4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.242 -12.082 2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.400 -12.537 2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.707 -11.476 4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.311 -10.601 3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.288 -13.049 5.729 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.139 -11.410 6.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.124 -12.635 5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.971 -11.534 4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.602 -13.174 4.288 1.00 0.00 H new ATOM 980 N THR A 82 2.907 -13.453 1.281 1.00 0.00 N ATOM 981 CA THR A 82 3.696 -13.247 0.071 1.00 0.00 C ATOM 982 C THR A 82 3.186 -12.051 -0.735 1.00 0.00 C ATOM 983 O THR A 82 2.047 -11.627 -0.550 1.00 0.00 O ATOM 984 CB THR A 82 3.655 -14.504 -0.824 1.00 0.00 C ATOM 985 OG1 THR A 82 3.511 -15.678 -0.012 1.00 0.00 O ATOM 986 CG2 THR A 82 4.925 -14.624 -1.654 1.00 0.00 C ATOM 0 H THR A 82 1.898 -13.460 1.130 1.00 0.00 H new ATOM 0 HA THR A 82 4.720 -13.049 0.387 1.00 0.00 H new ATOM 0 HB THR A 82 2.803 -14.411 -1.497 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.596 -16.021 -0.092 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.870 -15.518 -2.275 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.028 -13.745 -2.291 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.787 -14.695 -0.991 1.00 0.00 H new ATOM 994 N LYS A 83 4.031 -11.525 -1.618 1.00 0.00 N ATOM 995 CA LYS A 83 3.705 -10.364 -2.458 1.00 0.00 C ATOM 996 C LYS A 83 2.333 -10.473 -3.123 1.00 0.00 C ATOM 997 O LYS A 83 1.504 -9.564 -3.028 1.00 0.00 O ATOM 998 CB LYS A 83 4.775 -10.208 -3.538 1.00 0.00 C ATOM 999 CG LYS A 83 5.554 -11.477 -3.792 1.00 0.00 C ATOM 1000 CD LYS A 83 6.232 -11.448 -5.141 1.00 0.00 C ATOM 1001 CE LYS A 83 7.101 -12.668 -5.318 1.00 0.00 C ATOM 1002 NZ LYS A 83 7.458 -12.891 -6.739 1.00 0.00 N ATOM 0 H LYS A 83 4.970 -11.892 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 83 3.677 -9.493 -1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.301 -9.888 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.466 -9.418 -3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.302 -11.609 -3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.883 -12.334 -3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.482 -11.410 -5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.837 -10.546 -5.232 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.011 -12.554 -4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.579 -13.544 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.055 -13.739 -6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.591 -13.025 -7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.978 -12.066 -7.100 1.00 0.00 H new ATOM 1016 N VAL A 84 2.099 -11.577 -3.805 1.00 0.00 N ATOM 1017 CA VAL A 84 0.856 -11.796 -4.496 1.00 0.00 C ATOM 1018 C VAL A 84 -0.337 -11.762 -3.534 1.00 0.00 C ATOM 1019 O VAL A 84 -1.414 -11.268 -3.874 1.00 0.00 O ATOM 1020 CB VAL A 84 0.921 -13.136 -5.252 1.00 0.00 C ATOM 1021 CG1 VAL A 84 1.326 -14.269 -4.322 1.00 0.00 C ATOM 1022 CG2 VAL A 84 -0.396 -13.438 -5.904 1.00 0.00 C ATOM 0 H VAL A 84 2.767 -12.342 -3.892 1.00 0.00 H new ATOM 0 HA VAL A 84 0.708 -10.988 -5.212 1.00 0.00 H new ATOM 0 HB VAL A 84 1.681 -13.047 -6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.364 -15.203 -4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.308 -14.059 -3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.596 -14.358 -3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.330 -14.389 -6.433 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.173 -13.500 -5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.642 -12.646 -6.611 1.00 0.00 H new ATOM 1032 N GLU A 85 -0.126 -12.254 -2.323 1.00 0.00 N ATOM 1033 CA GLU A 85 -1.183 -12.311 -1.326 1.00 0.00 C ATOM 1034 C GLU A 85 -1.389 -10.961 -0.651 1.00 0.00 C ATOM 1035 O GLU A 85 -2.520 -10.558 -0.399 1.00 0.00 O ATOM 1036 CB GLU A 85 -0.848 -13.359 -0.273 1.00 0.00 C ATOM 1037 CG GLU A 85 -0.490 -14.708 -0.859 1.00 0.00 C ATOM 1038 CD GLU A 85 -0.223 -15.739 0.207 1.00 0.00 C ATOM 1039 OE1 GLU A 85 -1.194 -16.292 0.761 1.00 0.00 O ATOM 1040 OE2 GLU A 85 0.959 -15.998 0.500 1.00 0.00 O ATOM 0 H GLU A 85 0.772 -12.621 -2.006 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.107 -12.581 -1.837 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.015 -13.002 0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.701 -13.477 0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.303 -15.052 -1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.392 -14.605 -1.491 1.00 0.00 H new ATOM 1047 N VAL A 86 -0.295 -10.265 -0.358 1.00 0.00 N ATOM 1048 CA VAL A 86 -0.366 -8.994 0.356 1.00 0.00 C ATOM 1049 C VAL A 86 -1.123 -7.941 -0.452 1.00 0.00 C ATOM 1050 O VAL A 86 -1.897 -7.163 0.103 1.00 0.00 O ATOM 1051 CB VAL A 86 1.030 -8.457 0.730 1.00 0.00 C ATOM 1052 CG1 VAL A 86 1.728 -9.378 1.708 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.897 -8.287 -0.483 1.00 0.00 C ATOM 0 H VAL A 86 0.650 -10.559 -0.603 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.912 -9.192 1.279 1.00 0.00 H new ATOM 0 HB VAL A 86 0.876 -7.484 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.710 -8.972 1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.133 -9.461 2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.844 -10.364 1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.873 -7.907 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.020 -9.249 -0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.429 -7.581 -1.169 1.00 0.00 H new ATOM 1063 N ALA A 87 -0.890 -7.919 -1.759 1.00 0.00 N ATOM 1064 CA ALA A 87 -1.679 -7.082 -2.661 1.00 0.00 C ATOM 1065 C ALA A 87 -3.158 -7.405 -2.527 1.00 0.00 C ATOM 1066 O ALA A 87 -3.982 -6.506 -2.426 1.00 0.00 O ATOM 1067 CB ALA A 87 -1.242 -7.262 -4.100 1.00 0.00 C ATOM 0 H ALA A 87 -0.164 -8.469 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.512 -6.042 -2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.847 -6.626 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.192 -6.985 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.371 -8.304 -4.392 1.00 0.00 H new ATOM 1073 N LYS A 88 -3.490 -8.695 -2.499 1.00 0.00 N ATOM 1074 CA LYS A 88 -4.880 -9.109 -2.351 1.00 0.00 C ATOM 1075 C LYS A 88 -5.430 -8.668 -1.011 1.00 0.00 C ATOM 1076 O LYS A 88 -6.575 -8.271 -0.909 1.00 0.00 O ATOM 1077 CB LYS A 88 -5.044 -10.611 -2.455 1.00 0.00 C ATOM 1078 CG LYS A 88 -6.470 -11.030 -2.185 1.00 0.00 C ATOM 1079 CD LYS A 88 -6.697 -12.477 -2.559 1.00 0.00 C ATOM 1080 CE LYS A 88 -8.170 -12.857 -2.486 1.00 0.00 C ATOM 1081 NZ LYS A 88 -8.756 -12.597 -1.143 1.00 0.00 N ATOM 0 H LYS A 88 -2.822 -9.462 -2.576 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.429 -8.635 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.748 -10.943 -3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.378 -11.101 -1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.701 -10.884 -1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.151 -10.395 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.326 -12.654 -3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.123 -13.119 -1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.725 -12.295 -3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.283 -13.913 -2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.703 -13.024 -1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.146 -13.014 -0.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.829 -11.571 -0.989 1.00 0.00 H new ATOM 1095 N MET A 89 -4.615 -8.786 0.018 1.00 0.00 N ATOM 1096 CA MET A 89 -4.957 -8.295 1.344 1.00 0.00 C ATOM 1097 C MET A 89 -5.417 -6.845 1.285 1.00 0.00 C ATOM 1098 O MET A 89 -6.294 -6.416 2.035 1.00 0.00 O ATOM 1099 CB MET A 89 -3.757 -8.454 2.240 1.00 0.00 C ATOM 1100 CG MET A 89 -3.466 -9.912 2.477 1.00 0.00 C ATOM 1101 SD MET A 89 -4.849 -10.780 3.241 1.00 0.00 S ATOM 1102 CE MET A 89 -4.303 -12.476 3.083 1.00 0.00 C ATOM 0 H MET A 89 -3.696 -9.225 -0.038 1.00 0.00 H new ATOM 0 HA MET A 89 -5.787 -8.874 1.748 1.00 0.00 H new ATOM 0 HB2 MET A 89 -2.890 -7.973 1.786 1.00 0.00 H new ATOM 0 HB3 MET A 89 -3.937 -7.954 3.191 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.222 -10.389 1.528 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.587 -10.004 3.115 1.00 0.00 H new ATOM 0 HE1 MET A 89 -5.088 -13.069 2.614 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.404 -12.513 2.468 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.084 -12.881 4.071 1.00 0.00 H new ATOM 1112 N ILE A 90 -4.831 -6.119 0.351 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.163 -4.731 0.105 1.00 0.00 C ATOM 1114 C ILE A 90 -6.287 -4.607 -0.944 1.00 0.00 C ATOM 1115 O ILE A 90 -6.942 -3.573 -1.056 1.00 0.00 O ATOM 1116 CB ILE A 90 -3.894 -3.977 -0.340 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -2.882 -3.953 0.812 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -4.220 -2.570 -0.797 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -1.540 -3.354 0.448 1.00 0.00 C ATOM 0 H ILE A 90 -4.103 -6.482 -0.264 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.536 -4.283 1.026 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.458 -4.502 -1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.306 -3.388 1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.728 -4.972 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.304 -2.066 -1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.911 -2.612 -1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.680 -2.019 0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.884 -3.375 1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.091 -3.932 -0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.678 -2.323 0.123 1.00 0.00 H new ATOM 1131 N GLN A 91 -6.508 -5.664 -1.715 1.00 0.00 N ATOM 1132 CA GLN A 91 -7.625 -5.716 -2.648 1.00 0.00 C ATOM 1133 C GLN A 91 -8.892 -6.249 -1.978 1.00 0.00 C ATOM 1134 O GLN A 91 -9.992 -6.084 -2.508 1.00 0.00 O ATOM 1135 CB GLN A 91 -7.285 -6.627 -3.824 1.00 0.00 C ATOM 1136 CG GLN A 91 -6.080 -6.189 -4.631 1.00 0.00 C ATOM 1137 CD GLN A 91 -5.755 -7.151 -5.755 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -4.962 -8.077 -5.587 1.00 0.00 O ATOM 1139 NE2 GLN A 91 -6.374 -6.948 -6.906 1.00 0.00 N ATOM 0 H GLN A 91 -5.925 -6.501 -1.712 1.00 0.00 H new ATOM 0 HA GLN A 91 -7.805 -4.698 -2.993 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -7.107 -7.634 -3.447 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -8.149 -6.682 -4.486 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.265 -5.199 -5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -5.217 -6.101 -3.971 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -7.024 -6.169 -7.005 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -6.201 -7.571 -7.695 1.00 0.00 H new ATOM 1148 N GLU A 92 -8.741 -6.854 -0.804 1.00 0.00 N ATOM 1149 CA GLU A 92 -9.798 -7.641 -0.198 1.00 0.00 C ATOM 1150 C GLU A 92 -10.691 -6.732 0.591 1.00 0.00 C ATOM 1151 O GLU A 92 -11.915 -6.874 0.614 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.159 -8.689 0.702 1.00 0.00 C ATOM 1153 CG GLU A 92 -10.140 -9.438 1.573 1.00 0.00 C ATOM 1154 CD GLU A 92 -9.473 -10.546 2.350 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -8.935 -10.264 3.441 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -9.464 -11.696 1.869 1.00 0.00 O ATOM 0 H GLU A 92 -7.885 -6.810 -0.252 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.398 -8.141 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.621 -9.405 0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.421 -8.203 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.614 -8.743 2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.931 -9.857 0.951 1.00 0.00 H new ATOM 1163 N VAL A 93 -10.025 -5.820 1.252 1.00 0.00 N ATOM 1164 CA VAL A 93 -10.650 -4.698 1.910 1.00 0.00 C ATOM 1165 C VAL A 93 -11.714 -4.069 1.057 1.00 0.00 C ATOM 1166 O VAL A 93 -11.441 -3.593 -0.042 1.00 0.00 O ATOM 1167 CB VAL A 93 -9.631 -3.611 2.240 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -9.340 -3.650 3.689 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -8.348 -3.792 1.467 1.00 0.00 C ATOM 0 H VAL A 93 -9.010 -5.836 1.351 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.093 -5.097 2.822 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.057 -2.648 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -8.612 -2.877 3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -10.258 -3.476 4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.934 -4.627 3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.649 -2.998 1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.908 -4.759 1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -8.558 -3.750 0.398 1.00 0.00 H new ATOM 1179 N LYS A 94 -12.919 -4.054 1.562 1.00 0.00 N ATOM 1180 CA LYS A 94 -13.987 -3.396 0.871 1.00 0.00 C ATOM 1181 C LYS A 94 -13.949 -1.911 1.175 1.00 0.00 C ATOM 1182 O LYS A 94 -14.540 -1.447 2.146 1.00 0.00 O ATOM 1183 CB LYS A 94 -15.343 -3.988 1.263 1.00 0.00 C ATOM 1184 CG LYS A 94 -15.421 -5.500 1.104 1.00 0.00 C ATOM 1185 CD LYS A 94 -15.031 -5.955 -0.296 1.00 0.00 C ATOM 1186 CE LYS A 94 -15.958 -5.395 -1.363 1.00 0.00 C ATOM 1187 NZ LYS A 94 -15.660 -5.967 -2.703 1.00 0.00 N ATOM 0 H LYS A 94 -13.181 -4.489 2.446 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.856 -3.548 -0.200 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -15.556 -3.729 2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.120 -3.527 0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -14.765 -5.974 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -16.435 -5.834 1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.008 -5.642 -0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.046 -7.044 -0.339 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -16.993 -5.611 -1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.858 -4.310 -1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -16.311 -5.563 -3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.680 -5.739 -2.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.780 -7.000 -2.674 1.00 0.00 H new ATOM 1201 N GLY A 95 -13.173 -1.169 0.412 1.00 0.00 N ATOM 1202 CA GLY A 95 -13.376 0.251 0.402 1.00 0.00 C ATOM 1203 C GLY A 95 -12.291 1.024 1.084 1.00 0.00 C ATOM 1204 O GLY A 95 -12.085 2.184 0.761 1.00 0.00 O ATOM 0 H GLY A 95 -12.424 -1.516 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.455 0.589 -0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.327 0.476 0.885 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.585 0.409 2.018 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.576 1.137 2.748 1.00 0.00 C ATOM 1210 C GLU A 96 -9.239 0.422 2.656 1.00 0.00 C ATOM 1211 O GLU A 96 -9.154 -0.685 2.134 1.00 0.00 O ATOM 1212 CB GLU A 96 -10.982 1.298 4.204 1.00 0.00 C ATOM 1213 CG GLU A 96 -10.828 0.014 4.988 1.00 0.00 C ATOM 1214 CD GLU A 96 -10.993 0.194 6.481 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -12.140 0.373 6.943 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -9.976 0.148 7.205 1.00 0.00 O ATOM 0 H GLU A 96 -11.692 -0.571 2.281 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.478 2.127 2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -10.374 2.077 4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.019 1.630 4.255 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.563 -0.709 4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.843 -0.409 4.788 1.00 0.00 H new ATOM 1223 N VAL A 97 -8.218 1.074 3.175 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.847 0.552 3.191 1.00 0.00 C ATOM 1225 C VAL A 97 -6.058 1.200 4.328 1.00 0.00 C ATOM 1226 O VAL A 97 -6.378 2.308 4.763 1.00 0.00 O ATOM 1227 CB VAL A 97 -6.061 0.815 1.871 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -6.795 0.295 0.651 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -5.747 2.290 1.701 1.00 0.00 C ATOM 0 H VAL A 97 -8.308 1.994 3.606 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.945 -0.526 3.320 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.124 0.264 1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.207 0.502 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.943 -0.781 0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.763 0.789 0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.198 2.440 0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.676 2.859 1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.140 2.632 2.540 1.00 0.00 H new ATOM 1239 N THR A 98 -5.031 0.512 4.801 1.00 0.00 N ATOM 1240 CA THR A 98 -4.103 1.085 5.766 1.00 0.00 C ATOM 1241 C THR A 98 -2.673 0.664 5.442 1.00 0.00 C ATOM 1242 O THR A 98 -2.340 -0.523 5.458 1.00 0.00 O ATOM 1243 CB THR A 98 -4.456 0.685 7.212 1.00 0.00 C ATOM 1244 OG1 THR A 98 -5.115 -0.586 7.220 1.00 0.00 O ATOM 1245 CG2 THR A 98 -5.346 1.732 7.865 1.00 0.00 C ATOM 0 H THR A 98 -4.818 -0.448 4.532 1.00 0.00 H new ATOM 0 HA THR A 98 -4.186 2.169 5.692 1.00 0.00 H new ATOM 0 HB THR A 98 -3.530 0.617 7.783 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.335 -0.835 8.142 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.580 1.426 8.884 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.827 2.690 7.884 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.270 1.831 7.295 1.00 0.00 H new ATOM 1253 N ILE A 99 -1.839 1.642 5.130 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.466 1.383 4.718 1.00 0.00 C ATOM 1255 C ILE A 99 0.508 1.747 5.822 1.00 0.00 C ATOM 1256 O ILE A 99 0.620 2.907 6.207 1.00 0.00 O ATOM 1257 CB ILE A 99 -0.057 2.153 3.432 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.782 3.503 3.311 1.00 0.00 C ATOM 1259 CG2 ILE A 99 -0.287 1.309 2.189 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -2.220 3.408 2.834 1.00 0.00 C ATOM 0 H ILE A 99 -2.090 2.630 5.154 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.423 0.315 4.504 1.00 0.00 H new ATOM 0 HB ILE A 99 1.010 2.361 3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.767 3.997 4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -0.226 4.139 2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.008 1.875 1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.308 0.398 2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.343 1.048 2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.652 4.407 2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.246 2.946 1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.796 2.802 3.533 1.00 0.00 H new ATOM 1272 N HIS A 100 1.197 0.743 6.334 1.00 0.00 N ATOM 1273 CA HIS A 100 2.229 0.955 7.337 1.00 0.00 C ATOM 1274 C HIS A 100 3.593 0.870 6.668 1.00 0.00 C ATOM 1275 O HIS A 100 3.916 -0.148 6.062 1.00 0.00 O ATOM 1276 CB HIS A 100 2.125 -0.101 8.443 1.00 0.00 C ATOM 1277 CG HIS A 100 0.951 0.077 9.361 1.00 0.00 C ATOM 1278 ND1 HIS A 100 1.063 0.043 10.732 1.00 0.00 N ATOM 1279 CD2 HIS A 100 -0.367 0.266 9.102 1.00 0.00 C ATOM 1280 CE1 HIS A 100 -0.127 0.200 11.277 1.00 0.00 C ATOM 1281 NE2 HIS A 100 -1.015 0.339 10.311 1.00 0.00 N ATOM 0 H HIS A 100 1.060 -0.233 6.071 1.00 0.00 H new ATOM 0 HA HIS A 100 2.097 1.939 7.787 1.00 0.00 H new ATOM 0 HB2 HIS A 100 2.065 -1.087 7.983 1.00 0.00 H new ATOM 0 HB3 HIS A 100 3.040 -0.081 9.035 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -0.823 0.345 8.126 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -0.339 0.213 12.336 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -2.017 0.478 10.441 1.00 0.00 H new ATOM 1290 N TYR A 101 4.392 1.925 6.766 1.00 0.00 N ATOM 1291 CA TYR A 101 5.646 1.974 6.028 1.00 0.00 C ATOM 1292 C TYR A 101 6.742 2.726 6.782 1.00 0.00 C ATOM 1293 O TYR A 101 6.481 3.498 7.699 1.00 0.00 O ATOM 1294 CB TYR A 101 5.423 2.615 4.651 1.00 0.00 C ATOM 1295 CG TYR A 101 4.867 4.021 4.699 1.00 0.00 C ATOM 1296 CD1 TYR A 101 3.498 4.243 4.765 1.00 0.00 C ATOM 1297 CD2 TYR A 101 5.710 5.124 4.676 1.00 0.00 C ATOM 1298 CE1 TYR A 101 2.985 5.524 4.807 1.00 0.00 C ATOM 1299 CE2 TYR A 101 5.204 6.406 4.718 1.00 0.00 C ATOM 1300 CZ TYR A 101 3.842 6.602 4.783 1.00 0.00 C ATOM 1301 OH TYR A 101 3.335 7.879 4.827 1.00 0.00 O ATOM 0 H TYR A 101 4.198 2.746 7.340 1.00 0.00 H new ATOM 0 HA TYR A 101 5.986 0.945 5.907 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.371 2.630 4.113 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.741 1.987 4.078 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.823 3.400 4.784 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.779 4.976 4.624 1.00 0.00 H new ATOM 0 HE1 TYR A 101 1.918 5.680 4.858 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.873 7.254 4.700 1.00 0.00 H new ATOM 0 HH TYR A 101 4.072 8.525 4.803 1.00 0.00 H new ATOM 1311 N ASN A 102 7.973 2.472 6.373 1.00 0.00 N ATOM 1312 CA ASN A 102 9.148 3.156 6.894 1.00 0.00 C ATOM 1313 C ASN A 102 10.060 3.472 5.724 1.00 0.00 C ATOM 1314 O ASN A 102 9.625 3.409 4.580 1.00 0.00 O ATOM 1315 CB ASN A 102 9.874 2.295 7.939 1.00 0.00 C ATOM 1316 CG ASN A 102 9.190 2.326 9.291 1.00 0.00 C ATOM 1317 OD1 ASN A 102 9.518 3.149 10.142 1.00 0.00 O ATOM 1318 ND2 ASN A 102 8.237 1.433 9.501 1.00 0.00 N ATOM 0 H ASN A 102 8.189 1.776 5.660 1.00 0.00 H new ATOM 0 HA ASN A 102 8.849 4.076 7.397 1.00 0.00 H new ATOM 0 HB2 ASN A 102 9.926 1.265 7.585 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.900 2.647 8.046 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.746 1.412 10.395 1.00 0.00 H new ATOM 0 HD22 ASN A 102 7.993 0.766 8.769 1.00 0.00 H new ATOM 1393 N ASP A 107 22.041 0.909 3.527 1.00 0.00 N ATOM 1394 CA ASP A 107 22.746 2.169 3.328 1.00 0.00 C ATOM 1395 C ASP A 107 22.789 2.456 1.846 1.00 0.00 C ATOM 1396 O ASP A 107 22.823 1.520 1.084 1.00 0.00 O ATOM 1397 CB ASP A 107 24.168 2.094 3.895 1.00 0.00 C ATOM 1398 CG ASP A 107 24.194 1.937 5.403 1.00 0.00 C ATOM 1399 OD1 ASP A 107 24.131 0.785 5.891 1.00 0.00 O ATOM 1400 OD2 ASP A 107 24.281 2.965 6.109 1.00 0.00 O ATOM 0 HA ASP A 107 22.224 2.969 3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 107 24.692 1.255 3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 107 24.712 2.997 3.619 1.00 0.00 H new ATOM 1405 N PRO A 108 22.806 3.736 1.423 1.00 0.00 N ATOM 1406 CA PRO A 108 22.666 4.139 0.011 1.00 0.00 C ATOM 1407 C PRO A 108 23.232 3.129 -1.000 1.00 0.00 C ATOM 1408 O PRO A 108 22.489 2.584 -1.821 1.00 0.00 O ATOM 1409 CB PRO A 108 23.453 5.443 -0.020 1.00 0.00 C ATOM 1410 CG PRO A 108 23.213 6.055 1.322 1.00 0.00 C ATOM 1411 CD PRO A 108 22.976 4.918 2.291 1.00 0.00 C ATOM 0 HA PRO A 108 21.621 4.218 -0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 108 24.514 5.262 -0.190 1.00 0.00 H new ATOM 0 HB3 PRO A 108 23.108 6.096 -0.822 1.00 0.00 H new ATOM 0 HG2 PRO A 108 24.070 6.653 1.632 1.00 0.00 H new ATOM 0 HG3 PRO A 108 22.352 6.723 1.293 1.00 0.00 H new ATOM 0 HD2 PRO A 108 23.817 4.794 2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 108 22.092 5.094 2.903 1.00 0.00 H new ATOM 1419 N LYS A 109 24.530 2.852 -0.910 1.00 0.00 N ATOM 1420 CA LYS A 109 25.191 1.897 -1.805 1.00 0.00 C ATOM 1421 C LYS A 109 24.602 0.494 -1.669 1.00 0.00 C ATOM 1422 O LYS A 109 24.324 -0.188 -2.654 1.00 0.00 O ATOM 1423 CB LYS A 109 26.683 1.841 -1.489 1.00 0.00 C ATOM 1424 CG LYS A 109 26.992 1.516 -0.031 1.00 0.00 C ATOM 1425 CD LYS A 109 28.490 1.461 0.235 1.00 0.00 C ATOM 1426 CE LYS A 109 29.174 0.380 -0.590 1.00 0.00 C ATOM 1427 NZ LYS A 109 30.626 0.292 -0.294 1.00 0.00 N ATOM 0 H LYS A 109 25.152 3.277 -0.222 1.00 0.00 H new ATOM 0 HA LYS A 109 25.032 2.240 -2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 109 27.152 1.091 -2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 109 27.135 2.800 -1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 109 26.537 2.269 0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 109 26.542 0.558 0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 109 28.935 2.429 0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 109 28.664 1.273 1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 109 28.704 -0.582 -0.388 1.00 0.00 H new ATOM 0 HE3 LYS A 109 29.032 0.588 -1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 31.054 -0.456 -0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 31.080 1.202 -0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 30.762 0.068 0.712 1.00 0.00 H new ATOM 1441 N GLN A 110 24.411 0.093 -0.429 1.00 0.00 N ATOM 1442 CA GLN A 110 23.958 -1.237 -0.078 1.00 0.00 C ATOM 1443 C GLN A 110 22.447 -1.356 -0.241 1.00 0.00 C ATOM 1444 O GLN A 110 21.874 -2.441 -0.160 1.00 0.00 O ATOM 1445 CB GLN A 110 24.351 -1.536 1.360 1.00 0.00 C ATOM 1446 CG GLN A 110 25.836 -1.764 1.572 1.00 0.00 C ATOM 1447 CD GLN A 110 26.406 -2.844 0.673 1.00 0.00 C ATOM 1448 OE1 GLN A 110 25.704 -3.772 0.269 1.00 0.00 O ATOM 1449 NE2 GLN A 110 27.690 -2.745 0.376 1.00 0.00 N ATOM 0 H GLN A 110 24.570 0.695 0.379 1.00 0.00 H new ATOM 0 HA GLN A 110 24.428 -1.958 -0.746 1.00 0.00 H new ATOM 0 HB2 GLN A 110 24.030 -0.707 1.991 1.00 0.00 H new ATOM 0 HB3 GLN A 110 23.809 -2.420 1.695 1.00 0.00 H new ATOM 0 HG2 GLN A 110 26.370 -0.831 1.393 1.00 0.00 H new ATOM 0 HG3 GLN A 110 26.011 -2.036 2.613 1.00 0.00 H new ATOM 0 HE21 GLN A 110 28.237 -1.960 0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 110 28.134 -3.453 -0.208 1.00 0.00 H new ATOM 1458 N LEU A 111 21.820 -0.223 -0.464 1.00 0.00 N ATOM 1459 CA LEU A 111 20.385 -0.136 -0.592 1.00 0.00 C ATOM 1460 C LEU A 111 19.994 -0.309 -2.055 1.00 0.00 C ATOM 1461 O LEU A 111 19.161 -1.149 -2.392 1.00 0.00 O ATOM 1462 CB LEU A 111 19.921 1.219 -0.022 1.00 0.00 C ATOM 1463 CG LEU A 111 18.407 1.505 -0.036 1.00 0.00 C ATOM 1464 CD1 LEU A 111 17.941 1.957 -1.412 1.00 0.00 C ATOM 1465 CD2 LEU A 111 17.623 0.278 0.416 1.00 0.00 C ATOM 0 H LEU A 111 22.298 0.673 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 111 19.894 -0.929 -0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 111 20.269 1.289 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 111 20.420 2.010 -0.582 1.00 0.00 H new ATOM 0 HG LEU A 111 18.217 2.317 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 111 16.869 2.150 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 111 18.468 2.869 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 111 18.152 1.176 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 111 16.556 0.501 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 111 17.830 -0.554 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 111 17.921 0.009 1.429 1.00 0.00 H new ATOM 1477 N GLU A 112 20.622 0.472 -2.926 1.00 0.00 N ATOM 1478 CA GLU A 112 20.356 0.387 -4.355 1.00 0.00 C ATOM 1479 C GLU A 112 20.848 -0.948 -4.912 1.00 0.00 C ATOM 1480 O GLU A 112 20.276 -1.486 -5.859 1.00 0.00 O ATOM 1481 CB GLU A 112 21.033 1.541 -5.093 1.00 0.00 C ATOM 1482 CG GLU A 112 22.531 1.579 -4.877 1.00 0.00 C ATOM 1483 CD GLU A 112 23.240 2.515 -5.833 1.00 0.00 C ATOM 1484 OE1 GLU A 112 23.527 2.100 -6.976 1.00 0.00 O ATOM 1485 OE2 GLU A 112 23.520 3.671 -5.451 1.00 0.00 O ATOM 0 H GLU A 112 21.318 1.171 -2.667 1.00 0.00 H new ATOM 0 HA GLU A 112 19.279 0.455 -4.507 1.00 0.00 H new ATOM 0 HB2 GLU A 112 20.827 1.454 -6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 112 20.599 2.484 -4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 112 22.738 1.889 -3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 112 22.936 0.574 -4.994 1.00 0.00 H new ATOM 1492 N VAL A 113 21.906 -1.479 -4.307 1.00 0.00 N ATOM 1493 CA VAL A 113 22.455 -2.767 -4.709 1.00 0.00 C ATOM 1494 C VAL A 113 21.482 -3.881 -4.341 1.00 0.00 C ATOM 1495 O VAL A 113 21.368 -4.890 -5.033 1.00 0.00 O ATOM 1496 CB VAL A 113 23.829 -3.020 -4.051 1.00 0.00 C ATOM 1497 CG1 VAL A 113 23.679 -3.452 -2.611 1.00 0.00 C ATOM 1498 CG2 VAL A 113 24.625 -4.042 -4.830 1.00 0.00 C ATOM 0 H VAL A 113 22.401 -1.034 -3.534 1.00 0.00 H new ATOM 0 HA VAL A 113 22.599 -2.755 -5.789 1.00 0.00 H new ATOM 0 HB VAL A 113 24.375 -2.077 -4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 113 24.665 -3.622 -2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 113 23.165 -2.672 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 113 23.099 -4.374 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 113 25.588 -4.201 -4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 113 24.076 -4.983 -4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 113 24.786 -3.680 -5.846 1.00 0.00 H new ATOM 1508 N LEU A 114 20.763 -3.661 -3.253 1.00 0.00 N ATOM 1509 CA LEU A 114 19.736 -4.583 -2.797 1.00 0.00 C ATOM 1510 C LEU A 114 18.521 -4.435 -3.695 1.00 0.00 C ATOM 1511 O LEU A 114 17.772 -5.385 -3.927 1.00 0.00 O ATOM 1512 CB LEU A 114 19.385 -4.278 -1.328 1.00 0.00 C ATOM 1513 CG LEU A 114 18.477 -5.288 -0.597 1.00 0.00 C ATOM 1514 CD1 LEU A 114 17.009 -5.060 -0.930 1.00 0.00 C ATOM 1515 CD2 LEU A 114 18.880 -6.717 -0.932 1.00 0.00 C ATOM 0 H LEU A 114 20.875 -2.838 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 114 20.092 -5.612 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 114 20.317 -4.194 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 114 18.902 -3.301 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 114 18.607 -5.131 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.398 -5.789 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 114 16.719 -4.054 -0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 114 16.857 -5.174 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 114 18.226 -7.412 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 114 18.791 -6.878 -2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 114 19.912 -6.886 -0.624 1.00 0.00 H new ATOM 1527 N PHE A 115 18.366 -3.234 -4.232 1.00 0.00 N ATOM 1528 CA PHE A 115 17.243 -2.916 -5.099 1.00 0.00 C ATOM 1529 C PHE A 115 17.441 -3.532 -6.487 1.00 0.00 C ATOM 1530 O PHE A 115 16.575 -3.430 -7.351 1.00 0.00 O ATOM 1531 CB PHE A 115 17.094 -1.401 -5.212 1.00 0.00 C ATOM 1532 CG PHE A 115 15.752 -0.946 -5.719 1.00 0.00 C ATOM 1533 CD1 PHE A 115 14.635 -1.001 -4.901 1.00 0.00 C ATOM 1534 CD2 PHE A 115 15.609 -0.459 -7.009 1.00 0.00 C ATOM 1535 CE1 PHE A 115 13.400 -0.580 -5.359 1.00 0.00 C ATOM 1536 CE2 PHE A 115 14.377 -0.037 -7.473 1.00 0.00 C ATOM 1537 CZ PHE A 115 13.272 -0.098 -6.647 1.00 0.00 C ATOM 0 H PHE A 115 19.010 -2.458 -4.080 1.00 0.00 H new ATOM 0 HA PHE A 115 16.335 -3.335 -4.665 1.00 0.00 H new ATOM 0 HB2 PHE A 115 17.269 -0.957 -4.232 1.00 0.00 H new ATOM 0 HB3 PHE A 115 17.869 -1.020 -5.877 1.00 0.00 H new ATOM 0 HD1 PHE A 115 14.730 -1.377 -3.893 1.00 0.00 H new ATOM 0 HD2 PHE A 115 16.470 -0.409 -7.659 1.00 0.00 H new ATOM 0 HE1 PHE A 115 12.537 -0.628 -4.711 1.00 0.00 H new ATOM 0 HE2 PHE A 115 14.279 0.340 -8.480 1.00 0.00 H new ATOM 0 HZ PHE A 115 12.309 0.231 -7.008 1.00 0.00 H new ATOM 1721 N LEU A 126 4.717 -6.774 -7.143 1.00 0.00 N ATOM 1722 CA LEU A 126 3.492 -6.520 -6.418 1.00 0.00 C ATOM 1723 C LEU A 126 2.765 -5.350 -7.048 1.00 0.00 C ATOM 1724 O LEU A 126 3.389 -4.413 -7.532 1.00 0.00 O ATOM 1725 CB LEU A 126 3.830 -6.228 -4.954 1.00 0.00 C ATOM 1726 CG LEU A 126 2.665 -6.001 -3.993 1.00 0.00 C ATOM 1727 CD1 LEU A 126 3.124 -6.247 -2.574 1.00 0.00 C ATOM 1728 CD2 LEU A 126 2.082 -4.599 -4.103 1.00 0.00 C ATOM 0 HA LEU A 126 2.840 -7.393 -6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 126 4.423 -7.060 -4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.467 -5.344 -4.926 1.00 0.00 H new ATOM 0 HG LEU A 126 1.877 -6.703 -4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 126 2.292 -6.085 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.477 -7.274 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.934 -5.560 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.257 -4.492 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.854 -3.865 -3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.717 -4.435 -5.117 1.00 0.00 H new ATOM 1740 N LYS A 127 1.453 -5.403 -7.022 1.00 0.00 N ATOM 1741 CA LYS A 127 0.640 -4.320 -7.544 1.00 0.00 C ATOM 1742 C LYS A 127 -0.683 -4.247 -6.801 1.00 0.00 C ATOM 1743 O LYS A 127 -1.414 -5.236 -6.711 1.00 0.00 O ATOM 1744 CB LYS A 127 0.398 -4.482 -9.051 1.00 0.00 C ATOM 1745 CG LYS A 127 -0.381 -5.734 -9.427 1.00 0.00 C ATOM 1746 CD LYS A 127 -0.684 -5.790 -10.916 1.00 0.00 C ATOM 1747 CE LYS A 127 -1.534 -4.613 -11.373 1.00 0.00 C ATOM 1748 NZ LYS A 127 -1.868 -4.700 -12.819 1.00 0.00 N ATOM 0 H LYS A 127 0.921 -6.187 -6.644 1.00 0.00 H new ATOM 0 HA LYS A 127 1.183 -3.388 -7.390 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -0.142 -3.608 -9.417 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.360 -4.499 -9.562 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.191 -6.617 -9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.315 -5.762 -8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.251 -5.800 -11.476 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -1.202 -6.721 -11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -2.454 -4.581 -10.789 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.000 -3.683 -11.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -2.448 -3.881 -13.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -0.991 -4.705 -13.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -2.399 -5.575 -13.000 1.00 0.00 H new ATOM 1762 N VAL A 128 -0.964 -3.090 -6.236 1.00 0.00 N ATOM 1763 CA VAL A 128 -2.244 -2.828 -5.637 1.00 0.00 C ATOM 1764 C VAL A 128 -2.443 -1.314 -5.508 1.00 0.00 C ATOM 1765 O VAL A 128 -2.840 -0.691 -6.504 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.434 -3.579 -4.295 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -1.499 -3.095 -3.206 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -3.880 -3.503 -3.871 1.00 0.00 C ATOM 1769 OXT VAL A 128 -2.172 -0.738 -4.458 1.00 0.00 O ATOM 0 H VAL A 128 -0.308 -2.310 -6.183 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.024 -3.220 -6.289 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.167 -4.623 -4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.682 -3.660 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.466 -3.240 -3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.675 -2.036 -3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -4.011 -4.032 -2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.168 -2.459 -3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.508 -3.963 -4.634 1.00 0.00 H new