USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 515 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 ASN : amide:sc= -0.0267 K(o=-0.027,f=-0.82) USER MOD Single : A 17 GLN : amide:sc= -0.794 K(o=-0.79,f=-1.6!) USER MOD Single : A 20 MET CE :methyl -162:sc= -0.0195 (180deg=-0.238) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 161:sc= -0.0728 (180deg=-0.459) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.709 K(o=-0.71,f=-1.5) USER MOD Single : A 47 LYS NZ :NH3+ -113:sc= -0.102 (180deg=-1.98!) USER MOD Single : A 48 MET CE :methyl -166:sc= -0.954 (180deg=-1.4) USER MOD Single : A 50 MET CE :methyl -119:sc= -0.0809 (180deg=-2.85!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= -0.0372 (180deg=-0.0372) USER MOD Single : A 74 GLN : amide:sc= -0.0818 K(o=-0.082,f=-2!) USER MOD Single : A 75 GLN : amide:sc=-0.00363 X(o=-0.0036,f=-0.0036) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -176:sc= -1.61 (180deg=-1.85) USER MOD ----------------------------------------------------------------- ATOM 131 N ASN A 14 4.097 9.894 11.304 1.00 0.00 N ATOM 132 CA ASN A 14 3.621 8.717 10.586 1.00 0.00 C ATOM 133 C ASN A 14 4.206 8.665 9.178 1.00 0.00 C ATOM 134 O ASN A 14 4.247 9.674 8.475 1.00 0.00 O ATOM 135 CB ASN A 14 2.092 8.721 10.516 1.00 0.00 C ATOM 136 CG ASN A 14 1.457 8.016 11.699 1.00 0.00 C ATOM 137 OD1 ASN A 14 2.092 7.828 12.737 1.00 0.00 O ATOM 138 ND2 ASN A 14 0.198 7.622 11.547 1.00 0.00 N ATOM 0 HA ASN A 14 3.951 7.832 11.130 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.736 9.750 10.476 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.772 8.237 9.593 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.282 7.142 12.309 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.289 7.799 10.669 1.00 0.00 H new ATOM 145 N ALA A 15 4.656 7.482 8.774 1.00 0.00 N ATOM 146 CA ALA A 15 5.237 7.297 7.450 1.00 0.00 C ATOM 147 C ALA A 15 4.157 6.998 6.415 1.00 0.00 C ATOM 148 O ALA A 15 3.139 6.381 6.725 1.00 0.00 O ATOM 149 CB ALA A 15 6.268 6.179 7.477 1.00 0.00 C ATOM 0 H ALA A 15 4.629 6.637 9.345 1.00 0.00 H new ATOM 0 HA ALA A 15 5.732 8.225 7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.693 6.052 6.481 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.061 6.432 8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.790 5.250 7.788 1.00 0.00 H new ATOM 155 N VAL A 16 4.387 7.441 5.183 1.00 0.00 N ATOM 156 CA VAL A 16 3.434 7.221 4.101 1.00 0.00 C ATOM 157 C VAL A 16 4.151 6.962 2.781 1.00 0.00 C ATOM 158 O VAL A 16 5.170 7.585 2.485 1.00 0.00 O ATOM 159 CB VAL A 16 2.490 8.426 3.931 1.00 0.00 C ATOM 160 CG1 VAL A 16 3.219 9.588 3.275 1.00 0.00 C ATOM 161 CG2 VAL A 16 1.263 8.031 3.123 1.00 0.00 C ATOM 0 H VAL A 16 5.225 7.954 4.909 1.00 0.00 H new ATOM 0 HA VAL A 16 2.847 6.343 4.371 1.00 0.00 H new ATOM 0 HB VAL A 16 2.159 8.748 4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.536 10.430 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.063 9.886 3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.582 9.283 2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.607 8.894 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.573 7.682 2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.729 7.233 3.639 1.00 0.00 H new ATOM 171 N GLN A 17 3.612 6.038 1.993 1.00 0.00 N ATOM 172 CA GLN A 17 4.201 5.696 0.704 1.00 0.00 C ATOM 173 C GLN A 17 3.120 5.478 -0.349 1.00 0.00 C ATOM 174 O GLN A 17 2.178 4.716 -0.136 1.00 0.00 O ATOM 175 CB GLN A 17 5.065 4.440 0.831 1.00 0.00 C ATOM 176 CG GLN A 17 6.456 4.711 1.381 1.00 0.00 C ATOM 177 CD GLN A 17 7.136 5.881 0.698 1.00 0.00 C ATOM 178 OE1 GLN A 17 6.918 6.135 -0.487 1.00 0.00 O ATOM 179 NE2 GLN A 17 7.966 6.601 1.444 1.00 0.00 N ATOM 0 H GLN A 17 2.769 5.513 2.224 1.00 0.00 H new ATOM 0 HA GLN A 17 4.828 6.530 0.388 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.559 3.726 1.481 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.156 3.971 -0.149 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.387 4.910 2.451 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.070 3.818 1.261 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.117 6.354 2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.453 7.401 1.039 1.00 0.00 H new ATOM 188 N GLU A 18 3.262 6.154 -1.485 1.00 0.00 N ATOM 189 CA GLU A 18 2.295 6.035 -2.570 1.00 0.00 C ATOM 190 C GLU A 18 2.827 5.127 -3.676 1.00 0.00 C ATOM 191 O GLU A 18 3.981 5.246 -4.088 1.00 0.00 O ATOM 192 CB GLU A 18 1.965 7.415 -3.143 1.00 0.00 C ATOM 193 CG GLU A 18 1.103 8.265 -2.225 1.00 0.00 C ATOM 194 CD GLU A 18 0.856 9.655 -2.777 1.00 0.00 C ATOM 195 OE1 GLU A 18 1.836 10.318 -3.175 1.00 0.00 O ATOM 196 OE2 GLU A 18 -0.318 10.079 -2.812 1.00 0.00 O ATOM 0 H GLU A 18 4.037 6.789 -1.678 1.00 0.00 H new ATOM 0 HA GLU A 18 1.386 5.591 -2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.895 7.946 -3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.452 7.290 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.147 7.766 -2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.586 8.346 -1.251 1.00 0.00 H new ATOM 203 N ILE A 19 1.978 4.222 -4.149 1.00 0.00 N ATOM 204 CA ILE A 19 2.362 3.295 -5.206 1.00 0.00 C ATOM 205 C ILE A 19 1.297 3.232 -6.296 1.00 0.00 C ATOM 206 O ILE A 19 0.101 3.283 -6.013 1.00 0.00 O ATOM 207 CB ILE A 19 2.598 1.877 -4.654 1.00 0.00 C ATOM 208 CG1 ILE A 19 1.748 1.646 -3.402 1.00 0.00 C ATOM 209 CG2 ILE A 19 4.073 1.667 -4.345 1.00 0.00 C ATOM 210 CD1 ILE A 19 2.438 2.056 -2.120 1.00 0.00 C ATOM 0 H ILE A 19 1.020 4.111 -3.817 1.00 0.00 H new ATOM 0 HA ILE A 19 3.293 3.670 -5.631 1.00 0.00 H new ATOM 0 HB ILE A 19 2.299 1.153 -5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.816 2.203 -3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.484 0.590 -3.342 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.223 0.660 -3.956 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.657 1.795 -5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.396 2.395 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.778 1.864 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.356 1.481 -2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.678 3.119 -2.160 1.00 0.00 H new ATOM 222 N MET A 20 1.741 3.121 -7.544 1.00 0.00 N ATOM 223 CA MET A 20 0.826 3.048 -8.677 1.00 0.00 C ATOM 224 C MET A 20 0.190 1.665 -8.775 1.00 0.00 C ATOM 225 O MET A 20 0.888 0.659 -8.902 1.00 0.00 O ATOM 226 CB MET A 20 1.562 3.377 -9.977 1.00 0.00 C ATOM 227 CG MET A 20 2.334 4.685 -9.924 1.00 0.00 C ATOM 228 SD MET A 20 1.332 6.103 -10.410 1.00 0.00 S ATOM 229 CE MET A 20 1.227 5.852 -12.181 1.00 0.00 C ATOM 0 H MET A 20 2.729 3.080 -7.796 1.00 0.00 H new ATOM 0 HA MET A 20 0.035 3.782 -8.520 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.253 2.566 -10.209 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.840 3.424 -10.792 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.710 4.840 -8.913 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.202 4.617 -10.579 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.927 6.782 -12.663 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.200 5.542 -12.563 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.490 5.078 -12.396 1.00 0.00 H new ATOM 239 N ILE A 21 -1.136 1.623 -8.714 1.00 0.00 N ATOM 240 CA ILE A 21 -1.865 0.363 -8.797 1.00 0.00 C ATOM 241 C ILE A 21 -2.766 0.328 -10.026 1.00 0.00 C ATOM 242 O ILE A 21 -3.627 1.187 -10.219 1.00 0.00 O ATOM 243 CB ILE A 21 -2.721 0.124 -7.539 1.00 0.00 C ATOM 244 CG1 ILE A 21 -2.010 0.671 -6.300 1.00 0.00 C ATOM 245 CG2 ILE A 21 -3.019 -1.359 -7.375 1.00 0.00 C ATOM 246 CD1 ILE A 21 -0.724 -0.055 -5.972 1.00 0.00 C ATOM 0 H ILE A 21 -1.728 2.447 -8.607 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.119 -0.428 -8.875 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.667 0.654 -7.655 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.792 1.728 -6.453 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.683 0.605 -5.446 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.625 -1.512 -6.482 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.563 -1.720 -8.248 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.083 -1.910 -7.277 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.274 0.386 -5.082 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.938 -1.108 -5.787 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.033 0.033 -6.810 1.00 0.00 H new ATOM 258 N PRO A 22 -2.567 -0.689 -10.878 1.00 0.00 N ATOM 259 CA PRO A 22 -3.353 -0.861 -12.103 1.00 0.00 C ATOM 260 C PRO A 22 -4.797 -1.258 -11.813 1.00 0.00 C ATOM 261 O PRO A 22 -5.056 -2.304 -11.218 1.00 0.00 O ATOM 262 CB PRO A 22 -2.625 -1.990 -12.836 1.00 0.00 C ATOM 263 CG PRO A 22 -1.934 -2.756 -11.761 1.00 0.00 C ATOM 264 CD PRO A 22 -1.558 -1.748 -10.711 1.00 0.00 C ATOM 0 HA PRO A 22 -3.422 0.063 -12.677 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.324 -2.621 -13.385 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.913 -1.596 -13.562 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.587 -3.525 -11.348 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.051 -3.263 -12.149 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.590 -2.179 -9.710 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.548 -1.368 -10.862 1.00 0.00 H new ATOM 272 N ALA A 23 -5.734 -0.417 -12.238 1.00 0.00 N ATOM 273 CA ALA A 23 -7.151 -0.682 -12.026 1.00 0.00 C ATOM 274 C ALA A 23 -7.474 -2.156 -12.249 1.00 0.00 C ATOM 275 O ALA A 23 -8.449 -2.676 -11.707 1.00 0.00 O ATOM 276 CB ALA A 23 -7.994 0.190 -12.945 1.00 0.00 C ATOM 0 H ALA A 23 -5.537 0.454 -12.731 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.390 -0.438 -10.991 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.050 -0.018 -12.776 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.793 1.241 -12.735 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.743 -0.027 -13.983 1.00 0.00 H new ATOM 282 N SER A 24 -6.649 -2.822 -13.050 1.00 0.00 N ATOM 283 CA SER A 24 -6.849 -4.236 -13.348 1.00 0.00 C ATOM 284 C SER A 24 -6.614 -5.091 -12.108 1.00 0.00 C ATOM 285 O SER A 24 -7.450 -5.916 -11.739 1.00 0.00 O ATOM 286 CB SER A 24 -5.912 -4.679 -14.473 1.00 0.00 C ATOM 287 OG SER A 24 -6.469 -4.391 -15.744 1.00 0.00 O ATOM 0 H SER A 24 -5.836 -2.406 -13.504 1.00 0.00 H new ATOM 0 HA SER A 24 -7.881 -4.372 -13.670 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.952 -4.174 -14.371 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.720 -5.749 -14.391 1.00 0.00 H new ATOM 0 HG SER A 24 -5.850 -4.682 -16.446 1.00 0.00 H new ATOM 293 N LYS A 25 -5.467 -4.890 -11.467 1.00 0.00 N ATOM 294 CA LYS A 25 -5.119 -5.640 -10.266 1.00 0.00 C ATOM 295 C LYS A 25 -5.718 -4.989 -9.024 1.00 0.00 C ATOM 296 O LYS A 25 -5.625 -5.529 -7.922 1.00 0.00 O ATOM 297 CB LYS A 25 -3.598 -5.735 -10.122 1.00 0.00 C ATOM 298 CG LYS A 25 -2.902 -6.269 -11.362 1.00 0.00 C ATOM 299 CD LYS A 25 -2.922 -7.788 -11.402 1.00 0.00 C ATOM 300 CE LYS A 25 -2.627 -8.313 -12.799 1.00 0.00 C ATOM 301 NZ LYS A 25 -3.144 -9.696 -12.992 1.00 0.00 N ATOM 0 H LYS A 25 -4.762 -4.213 -11.760 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.532 -6.644 -10.363 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.201 -4.747 -9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.361 -6.380 -9.276 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.390 -5.874 -12.253 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.871 -5.917 -11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.185 -8.181 -10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.897 -8.149 -11.075 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.077 -7.651 -13.538 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.551 -8.300 -12.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.923 -10.018 -13.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.696 -10.333 -12.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.174 -9.704 -12.852 1.00 0.00 H new ATOM 315 N ALA A 26 -6.334 -3.826 -9.210 1.00 0.00 N ATOM 316 CA ALA A 26 -6.951 -3.103 -8.105 1.00 0.00 C ATOM 317 C ALA A 26 -8.082 -3.914 -7.482 1.00 0.00 C ATOM 318 O ALA A 26 -8.114 -4.126 -6.271 1.00 0.00 O ATOM 319 CB ALA A 26 -7.467 -1.753 -8.580 1.00 0.00 C ATOM 0 H ALA A 26 -6.419 -3.365 -10.116 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.191 -2.941 -7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.925 -1.224 -7.744 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.638 -1.164 -8.972 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.208 -1.903 -9.365 1.00 0.00 H new ATOM 325 N GLY A 27 -9.012 -4.365 -8.320 1.00 0.00 N ATOM 326 CA GLY A 27 -10.133 -5.147 -7.832 1.00 0.00 C ATOM 327 C GLY A 27 -9.695 -6.439 -7.171 1.00 0.00 C ATOM 328 O GLY A 27 -10.509 -7.150 -6.580 1.00 0.00 O ATOM 0 H GLY A 27 -9.009 -4.203 -9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.703 -4.553 -7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.801 -5.376 -8.662 1.00 0.00 H new ATOM 332 N LEU A 28 -8.406 -6.746 -7.271 1.00 0.00 N ATOM 333 CA LEU A 28 -7.860 -7.962 -6.679 1.00 0.00 C ATOM 334 C LEU A 28 -7.331 -7.694 -5.274 1.00 0.00 C ATOM 335 O LEU A 28 -7.706 -8.372 -4.317 1.00 0.00 O ATOM 336 CB LEU A 28 -6.743 -8.524 -7.559 1.00 0.00 C ATOM 337 CG LEU A 28 -7.190 -9.347 -8.768 1.00 0.00 C ATOM 338 CD1 LEU A 28 -7.437 -8.443 -9.966 1.00 0.00 C ATOM 339 CD2 LEU A 28 -6.153 -10.409 -9.103 1.00 0.00 C ATOM 0 H LEU A 28 -7.719 -6.169 -7.757 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.663 -8.695 -6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.136 -7.692 -7.916 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.098 -9.147 -6.939 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.125 -9.848 -8.518 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.754 -9.045 -10.817 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.216 -7.721 -9.722 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.518 -7.914 -10.218 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.488 -10.985 -9.966 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.202 -9.929 -9.334 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.025 -11.075 -8.250 1.00 0.00 H new ATOM 351 N VAL A 29 -6.457 -6.699 -5.156 1.00 0.00 N ATOM 352 CA VAL A 29 -5.878 -6.338 -3.868 1.00 0.00 C ATOM 353 C VAL A 29 -6.906 -5.651 -2.976 1.00 0.00 C ATOM 354 O VAL A 29 -6.700 -5.508 -1.771 1.00 0.00 O ATOM 355 CB VAL A 29 -4.661 -5.409 -4.039 1.00 0.00 C ATOM 356 CG1 VAL A 29 -5.042 -4.173 -4.839 1.00 0.00 C ATOM 357 CG2 VAL A 29 -4.091 -5.023 -2.683 1.00 0.00 C ATOM 0 H VAL A 29 -6.135 -6.129 -5.938 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.554 -7.266 -3.397 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.890 -5.946 -4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.170 -3.528 -4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.399 -4.473 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.830 -3.631 -4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.232 -4.367 -2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.853 -4.504 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.778 -5.921 -2.151 1.00 0.00 H new ATOM 367 N ILE A 30 -8.013 -5.229 -3.577 1.00 0.00 N ATOM 368 CA ILE A 30 -9.075 -4.558 -2.836 1.00 0.00 C ATOM 369 C ILE A 30 -10.207 -5.524 -2.502 1.00 0.00 C ATOM 370 O ILE A 30 -10.793 -5.461 -1.422 1.00 0.00 O ATOM 371 CB ILE A 30 -9.648 -3.368 -3.627 1.00 0.00 C ATOM 372 CG1 ILE A 30 -8.538 -2.370 -3.964 1.00 0.00 C ATOM 373 CG2 ILE A 30 -10.755 -2.689 -2.835 1.00 0.00 C ATOM 374 CD1 ILE A 30 -9.000 -1.223 -4.836 1.00 0.00 C ATOM 0 H ILE A 30 -8.198 -5.339 -4.574 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.630 -4.189 -1.912 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.072 -3.741 -4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.128 -1.969 -3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.728 -2.897 -4.469 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -11.150 -1.850 -3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.555 -3.404 -2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.355 -2.326 -1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.161 -0.556 -5.034 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.383 -1.614 -5.779 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.789 -0.672 -4.324 1.00 0.00 H new ATOM 386 N GLY A 31 -10.509 -6.420 -3.437 1.00 0.00 N ATOM 387 CA GLY A 31 -11.568 -7.388 -3.223 1.00 0.00 C ATOM 388 C GLY A 31 -12.947 -6.798 -3.446 1.00 0.00 C ATOM 389 O GLY A 31 -13.112 -5.865 -4.233 1.00 0.00 O ATOM 0 H GLY A 31 -10.039 -6.492 -4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.425 -8.233 -3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.502 -7.775 -2.206 1.00 0.00 H new ATOM 393 N LYS A 32 -13.941 -7.342 -2.753 1.00 0.00 N ATOM 394 CA LYS A 32 -15.313 -6.865 -2.879 1.00 0.00 C ATOM 395 C LYS A 32 -15.659 -5.901 -1.748 1.00 0.00 C ATOM 396 O LYS A 32 -16.107 -6.317 -0.681 1.00 0.00 O ATOM 397 CB LYS A 32 -16.288 -8.045 -2.873 1.00 0.00 C ATOM 398 CG LYS A 32 -16.532 -8.638 -4.250 1.00 0.00 C ATOM 399 CD LYS A 32 -17.411 -7.734 -5.098 1.00 0.00 C ATOM 400 CE LYS A 32 -17.889 -8.442 -6.357 1.00 0.00 C ATOM 401 NZ LYS A 32 -18.768 -9.602 -6.040 1.00 0.00 N ATOM 0 H LYS A 32 -13.822 -8.114 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.401 -6.334 -3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -15.900 -8.823 -2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.239 -7.718 -2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.578 -8.796 -4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -17.004 -9.615 -4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -18.272 -7.409 -4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -16.855 -6.837 -5.372 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -18.431 -7.737 -6.987 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -17.028 -8.785 -6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -19.323 -9.857 -6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -18.183 -10.412 -5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -19.412 -9.348 -5.264 1.00 0.00 H new ATOM 415 N GLY A 33 -15.450 -4.611 -1.992 1.00 0.00 N ATOM 416 CA GLY A 33 -15.747 -3.608 -0.986 1.00 0.00 C ATOM 417 C GLY A 33 -14.640 -3.471 0.040 1.00 0.00 C ATOM 418 O GLY A 33 -14.903 -3.331 1.233 1.00 0.00 O ATOM 0 H GLY A 33 -15.080 -4.243 -2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.908 -2.646 -1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.677 -3.869 -0.480 1.00 0.00 H new ATOM 422 N GLY A 34 -13.395 -3.511 -0.426 1.00 0.00 N ATOM 423 CA GLY A 34 -12.262 -3.390 0.473 1.00 0.00 C ATOM 424 C GLY A 34 -12.218 -4.502 1.503 1.00 0.00 C ATOM 425 O GLY A 34 -12.086 -4.243 2.698 1.00 0.00 O ATOM 0 H GLY A 34 -13.151 -3.625 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.339 -3.399 -0.107 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.308 -2.428 0.983 1.00 0.00 H new ATOM 429 N GLU A 35 -12.330 -5.742 1.038 1.00 0.00 N ATOM 430 CA GLU A 35 -12.305 -6.896 1.929 1.00 0.00 C ATOM 431 C GLU A 35 -10.886 -7.437 2.079 1.00 0.00 C ATOM 432 O GLU A 35 -10.460 -7.801 3.176 1.00 0.00 O ATOM 433 CB GLU A 35 -13.228 -7.996 1.401 1.00 0.00 C ATOM 434 CG GLU A 35 -14.678 -7.830 1.824 1.00 0.00 C ATOM 435 CD GLU A 35 -15.569 -8.942 1.306 1.00 0.00 C ATOM 436 OE1 GLU A 35 -15.194 -9.582 0.301 1.00 0.00 O ATOM 437 OE2 GLU A 35 -16.639 -9.174 1.906 1.00 0.00 O ATOM 0 H GLU A 35 -12.439 -5.973 0.051 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.658 -6.574 2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.176 -8.011 0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.865 -8.962 1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.734 -7.802 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.051 -6.872 1.461 1.00 0.00 H new ATOM 444 N THR A 36 -10.157 -7.486 0.968 1.00 0.00 N ATOM 445 CA THR A 36 -8.787 -7.983 0.975 1.00 0.00 C ATOM 446 C THR A 36 -7.822 -6.930 1.506 1.00 0.00 C ATOM 447 O THR A 36 -7.184 -7.125 2.541 1.00 0.00 O ATOM 448 CB THR A 36 -8.338 -8.410 -0.436 1.00 0.00 C ATOM 449 OG1 THR A 36 -9.205 -9.433 -0.938 1.00 0.00 O ATOM 450 CG2 THR A 36 -6.904 -8.918 -0.416 1.00 0.00 C ATOM 0 H THR A 36 -10.493 -7.188 0.052 1.00 0.00 H new ATOM 0 HA THR A 36 -8.769 -8.852 1.633 1.00 0.00 H new ATOM 0 HB THR A 36 -8.390 -7.539 -1.089 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.914 -9.697 -1.836 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.609 -9.214 -1.423 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.243 -8.127 -0.061 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.832 -9.777 0.251 1.00 0.00 H new ATOM 458 N ILE A 37 -7.722 -5.813 0.794 1.00 0.00 N ATOM 459 CA ILE A 37 -6.836 -4.728 1.196 1.00 0.00 C ATOM 460 C ILE A 37 -6.990 -4.414 2.680 1.00 0.00 C ATOM 461 O ILE A 37 -6.037 -3.998 3.341 1.00 0.00 O ATOM 462 CB ILE A 37 -7.106 -3.449 0.381 1.00 0.00 C ATOM 463 CG1 ILE A 37 -6.352 -2.263 0.987 1.00 0.00 C ATOM 464 CG2 ILE A 37 -8.599 -3.161 0.327 1.00 0.00 C ATOM 465 CD1 ILE A 37 -6.676 -0.941 0.328 1.00 0.00 C ATOM 0 H ILE A 37 -8.244 -5.636 -0.064 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.817 -5.064 1.002 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.747 -3.602 -0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.587 -2.198 2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.280 -2.446 0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.774 -2.254 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.114 -3.998 -0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.980 -3.024 1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.106 -0.146 0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.414 -0.988 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.742 -0.736 0.429 1.00 0.00 H new ATOM 477 N LYS A 38 -8.196 -4.617 3.200 1.00 0.00 N ATOM 478 CA LYS A 38 -8.476 -4.359 4.608 1.00 0.00 C ATOM 479 C LYS A 38 -7.667 -5.292 5.503 1.00 0.00 C ATOM 480 O LYS A 38 -7.162 -4.881 6.548 1.00 0.00 O ATOM 481 CB LYS A 38 -9.970 -4.531 4.891 1.00 0.00 C ATOM 482 CG LYS A 38 -10.359 -4.203 6.323 1.00 0.00 C ATOM 483 CD LYS A 38 -11.848 -4.397 6.554 1.00 0.00 C ATOM 484 CE LYS A 38 -12.311 -3.692 7.820 1.00 0.00 C ATOM 485 NZ LYS A 38 -13.790 -3.756 7.980 1.00 0.00 N ATOM 0 H LYS A 38 -8.996 -4.960 2.667 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.187 -3.332 4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.536 -3.891 4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.257 -5.559 4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.798 -4.838 7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.086 -3.172 6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.403 -4.013 5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.071 -5.462 6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.832 -4.148 8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.993 -2.650 7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.066 -3.265 8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.247 -3.298 7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.091 -4.750 8.032 1.00 0.00 H new ATOM 499 N GLN A 39 -7.547 -6.549 5.086 1.00 0.00 N ATOM 500 CA GLN A 39 -6.799 -7.539 5.851 1.00 0.00 C ATOM 501 C GLN A 39 -5.297 -7.330 5.690 1.00 0.00 C ATOM 502 O GLN A 39 -4.515 -7.652 6.586 1.00 0.00 O ATOM 503 CB GLN A 39 -7.180 -8.952 5.407 1.00 0.00 C ATOM 504 CG GLN A 39 -8.524 -9.417 5.942 1.00 0.00 C ATOM 505 CD GLN A 39 -8.411 -10.103 7.289 1.00 0.00 C ATOM 506 OE1 GLN A 39 -7.888 -11.213 7.392 1.00 0.00 O ATOM 507 NE2 GLN A 39 -8.901 -9.444 8.332 1.00 0.00 N ATOM 0 H GLN A 39 -7.958 -6.905 4.223 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.054 -7.416 6.904 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.200 -8.988 4.318 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.408 -9.647 5.735 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.192 -8.560 6.030 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.978 -10.103 5.226 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.326 -8.526 8.201 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.852 -9.856 9.264 1.00 0.00 H new ATOM 516 N LEU A 40 -4.900 -6.789 4.544 1.00 0.00 N ATOM 517 CA LEU A 40 -3.490 -6.536 4.264 1.00 0.00 C ATOM 518 C LEU A 40 -2.925 -5.488 5.217 1.00 0.00 C ATOM 519 O LEU A 40 -1.711 -5.375 5.381 1.00 0.00 O ATOM 520 CB LEU A 40 -3.311 -6.075 2.817 1.00 0.00 C ATOM 521 CG LEU A 40 -3.372 -7.170 1.751 1.00 0.00 C ATOM 522 CD1 LEU A 40 -3.563 -6.561 0.370 1.00 0.00 C ATOM 523 CD2 LEU A 40 -2.113 -8.023 1.791 1.00 0.00 C ATOM 0 H LEU A 40 -5.534 -6.517 3.793 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.943 -7.467 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.081 -5.336 2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.349 -5.569 2.734 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.228 -7.811 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.604 -7.355 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.494 -5.994 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.728 -5.897 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.173 -8.797 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.242 -7.395 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.020 -8.489 2.772 1.00 0.00 H new ATOM 535 N GLN A 41 -3.815 -4.726 5.845 1.00 0.00 N ATOM 536 CA GLN A 41 -3.404 -3.688 6.783 1.00 0.00 C ATOM 537 C GLN A 41 -2.852 -4.301 8.066 1.00 0.00 C ATOM 538 O GLN A 41 -1.938 -3.755 8.682 1.00 0.00 O ATOM 539 CB GLN A 41 -4.584 -2.770 7.109 1.00 0.00 C ATOM 540 CG GLN A 41 -5.010 -1.890 5.945 1.00 0.00 C ATOM 541 CD GLN A 41 -6.151 -0.959 6.304 1.00 0.00 C ATOM 542 OE1 GLN A 41 -6.214 -0.436 7.417 1.00 0.00 O ATOM 543 NE2 GLN A 41 -7.061 -0.746 5.361 1.00 0.00 N ATOM 0 H GLN A 41 -4.824 -4.808 5.721 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.615 -3.101 6.314 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.432 -3.379 7.422 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.317 -2.136 7.955 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.157 -1.300 5.609 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.310 -2.521 5.109 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.970 -1.200 4.452 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.851 -0.128 5.545 1.00 0.00 H new ATOM 552 N GLU A 42 -3.416 -5.438 8.462 1.00 0.00 N ATOM 553 CA GLU A 42 -2.980 -6.124 9.673 1.00 0.00 C ATOM 554 C GLU A 42 -1.754 -6.990 9.396 1.00 0.00 C ATOM 555 O GLU A 42 -0.892 -7.158 10.259 1.00 0.00 O ATOM 556 CB GLU A 42 -4.112 -6.988 10.233 1.00 0.00 C ATOM 557 CG GLU A 42 -5.369 -6.202 10.567 1.00 0.00 C ATOM 558 CD GLU A 42 -5.302 -5.550 11.935 1.00 0.00 C ATOM 559 OE1 GLU A 42 -4.504 -4.605 12.104 1.00 0.00 O ATOM 560 OE2 GLU A 42 -6.049 -5.986 12.836 1.00 0.00 O ATOM 0 H GLU A 42 -4.174 -5.903 7.963 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.711 -5.368 10.411 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.360 -7.762 9.507 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.761 -7.494 11.132 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.525 -5.434 9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.231 -6.868 10.528 1.00 0.00 H new ATOM 567 N ARG A 43 -1.685 -7.538 8.188 1.00 0.00 N ATOM 568 CA ARG A 43 -0.567 -8.389 7.797 1.00 0.00 C ATOM 569 C ARG A 43 0.752 -7.626 7.882 1.00 0.00 C ATOM 570 O ARG A 43 1.802 -8.209 8.149 1.00 0.00 O ATOM 571 CB ARG A 43 -0.772 -8.917 6.376 1.00 0.00 C ATOM 572 CG ARG A 43 -1.554 -10.219 6.317 1.00 0.00 C ATOM 573 CD ARG A 43 -1.879 -10.610 4.884 1.00 0.00 C ATOM 574 NE ARG A 43 -0.675 -10.911 4.113 1.00 0.00 N ATOM 575 CZ ARG A 43 -0.695 -11.292 2.840 1.00 0.00 C ATOM 576 NH1 ARG A 43 -1.849 -11.418 2.200 1.00 0.00 N ATOM 577 NH2 ARG A 43 0.442 -11.547 2.206 1.00 0.00 N ATOM 0 H ARG A 43 -2.390 -7.408 7.462 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.526 -9.231 8.487 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.295 -8.162 5.789 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.201 -9.066 5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.976 -11.013 6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.478 -10.116 6.885 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.536 -11.480 4.886 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.425 -9.799 4.402 1.00 0.00 H new ATOM 0 HE ARG A 43 0.229 -10.824 4.577 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.725 -11.222 2.685 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.861 -11.711 1.223 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.332 -11.451 2.696 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.427 -11.839 1.229 1.00 0.00 H new ATOM 591 N ALA A 44 0.689 -6.318 7.652 1.00 0.00 N ATOM 592 CA ALA A 44 1.877 -5.476 7.704 1.00 0.00 C ATOM 593 C ALA A 44 1.827 -4.530 8.899 1.00 0.00 C ATOM 594 O ALA A 44 2.859 -4.182 9.472 1.00 0.00 O ATOM 595 CB ALA A 44 2.022 -4.688 6.411 1.00 0.00 C ATOM 0 H ALA A 44 -0.172 -5.819 7.428 1.00 0.00 H new ATOM 0 HA ALA A 44 2.746 -6.123 7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.914 -4.063 6.464 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.112 -5.378 5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.145 -4.057 6.269 1.00 0.00 H new ATOM 601 N GLY A 45 0.620 -4.115 9.270 1.00 0.00 N ATOM 602 CA GLY A 45 0.459 -3.212 10.395 1.00 0.00 C ATOM 603 C GLY A 45 0.396 -1.759 9.968 1.00 0.00 C ATOM 604 O GLY A 45 0.869 -0.874 10.680 1.00 0.00 O ATOM 0 H GLY A 45 -0.249 -4.388 8.812 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.452 -3.469 10.935 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.289 -3.348 11.088 1.00 0.00 H new ATOM 608 N VAL A 46 -0.188 -1.512 8.799 1.00 0.00 N ATOM 609 CA VAL A 46 -0.310 -0.156 8.277 1.00 0.00 C ATOM 610 C VAL A 46 -1.676 0.065 7.637 1.00 0.00 C ATOM 611 O VAL A 46 -2.369 -0.888 7.280 1.00 0.00 O ATOM 612 CB VAL A 46 0.787 0.146 7.239 1.00 0.00 C ATOM 613 CG1 VAL A 46 2.159 0.145 7.896 1.00 0.00 C ATOM 614 CG2 VAL A 46 0.731 -0.858 6.098 1.00 0.00 C ATOM 0 H VAL A 46 -0.584 -2.233 8.196 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.195 0.521 9.123 1.00 0.00 H new ATOM 0 HB VAL A 46 0.610 1.139 6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.921 0.360 7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.190 0.907 8.675 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.350 -0.833 8.338 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.513 -0.630 5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.882 -1.864 6.490 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.242 -0.801 5.611 1.00 0.00 H new ATOM 624 N LYS A 47 -2.058 1.330 7.493 1.00 0.00 N ATOM 625 CA LYS A 47 -3.340 1.679 6.894 1.00 0.00 C ATOM 626 C LYS A 47 -3.206 1.852 5.385 1.00 0.00 C ATOM 627 O LYS A 47 -2.406 2.659 4.912 1.00 0.00 O ATOM 628 CB LYS A 47 -3.886 2.965 7.520 1.00 0.00 C ATOM 629 CG LYS A 47 -5.403 3.020 7.571 1.00 0.00 C ATOM 630 CD LYS A 47 -5.890 4.229 8.352 1.00 0.00 C ATOM 631 CE LYS A 47 -7.283 4.653 7.910 1.00 0.00 C ATOM 632 NZ LYS A 47 -7.237 5.570 6.738 1.00 0.00 N ATOM 0 H LYS A 47 -1.497 2.131 7.783 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.037 0.864 7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.493 3.062 8.532 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.519 3.820 6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.801 3.056 6.557 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.786 2.109 8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.900 3.996 9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.195 5.057 8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.869 3.769 7.657 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.792 5.147 8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.569 6.514 7.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.260 5.638 6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.850 5.200 5.983 1.00 0.00 H new ATOM 646 N MET A 48 -3.996 1.091 4.634 1.00 0.00 N ATOM 647 CA MET A 48 -3.967 1.164 3.178 1.00 0.00 C ATOM 648 C MET A 48 -5.176 1.928 2.647 1.00 0.00 C ATOM 649 O MET A 48 -6.312 1.467 2.759 1.00 0.00 O ATOM 650 CB MET A 48 -3.933 -0.242 2.576 1.00 0.00 C ATOM 651 CG MET A 48 -2.595 -0.944 2.746 1.00 0.00 C ATOM 652 SD MET A 48 -2.654 -2.679 2.260 1.00 0.00 S ATOM 653 CE MET A 48 -0.955 -3.169 2.548 1.00 0.00 C ATOM 0 H MET A 48 -4.663 0.417 5.010 1.00 0.00 H new ATOM 0 HA MET A 48 -3.064 1.699 2.884 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.712 -0.846 3.040 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.169 -0.179 1.514 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.841 -0.429 2.150 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.282 -0.873 3.788 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.767 -4.130 2.069 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.284 -2.418 2.131 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.779 -3.258 3.620 1.00 0.00 H new ATOM 663 N VAL A 49 -4.924 3.098 2.068 1.00 0.00 N ATOM 664 CA VAL A 49 -5.992 3.925 1.519 1.00 0.00 C ATOM 665 C VAL A 49 -5.779 4.182 0.032 1.00 0.00 C ATOM 666 O VAL A 49 -4.812 4.832 -0.364 1.00 0.00 O ATOM 667 CB VAL A 49 -6.089 5.275 2.253 1.00 0.00 C ATOM 668 CG1 VAL A 49 -7.150 6.157 1.612 1.00 0.00 C ATOM 669 CG2 VAL A 49 -6.386 5.059 3.730 1.00 0.00 C ATOM 0 H VAL A 49 -3.990 3.494 1.967 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.923 3.375 1.660 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.128 5.783 2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.204 7.107 2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.890 6.340 0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.117 5.657 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.451 6.024 4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.333 4.529 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.587 4.469 4.179 1.00 0.00 H new ATOM 679 N MET A 50 -6.689 3.666 -0.788 1.00 0.00 N ATOM 680 CA MET A 50 -6.601 3.841 -2.233 1.00 0.00 C ATOM 681 C MET A 50 -7.068 5.235 -2.641 1.00 0.00 C ATOM 682 O MET A 50 -8.181 5.647 -2.312 1.00 0.00 O ATOM 683 CB MET A 50 -7.439 2.780 -2.949 1.00 0.00 C ATOM 684 CG MET A 50 -6.771 1.415 -3.006 1.00 0.00 C ATOM 685 SD MET A 50 -5.747 1.204 -4.475 1.00 0.00 S ATOM 686 CE MET A 50 -5.270 -0.515 -4.310 1.00 0.00 C ATOM 0 H MET A 50 -7.495 3.124 -0.477 1.00 0.00 H new ATOM 0 HA MET A 50 -5.557 3.727 -2.525 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.399 2.685 -2.443 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.646 3.117 -3.965 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.156 1.278 -2.116 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.536 0.639 -2.987 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.185 -0.585 -4.228 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.729 -0.936 -3.416 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.605 -1.071 -5.186 1.00 0.00 H new ATOM 696 N ILE A 51 -6.212 5.954 -3.359 1.00 0.00 N ATOM 697 CA ILE A 51 -6.539 7.301 -3.812 1.00 0.00 C ATOM 698 C ILE A 51 -7.089 7.284 -5.234 1.00 0.00 C ATOM 699 O ILE A 51 -6.532 6.633 -6.117 1.00 0.00 O ATOM 700 CB ILE A 51 -5.309 8.226 -3.760 1.00 0.00 C ATOM 701 CG1 ILE A 51 -4.557 8.037 -2.441 1.00 0.00 C ATOM 702 CG2 ILE A 51 -5.730 9.677 -3.933 1.00 0.00 C ATOM 703 CD1 ILE A 51 -5.236 8.693 -1.259 1.00 0.00 C ATOM 0 H ILE A 51 -5.287 5.627 -3.640 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.302 7.686 -3.135 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.640 7.962 -4.579 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.450 6.971 -2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.551 8.444 -2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.850 10.318 -3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.226 9.800 -4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.417 9.954 -3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.648 8.518 -0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.319 9.765 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.232 8.269 -1.130 1.00 0.00 H new ATOM 827 N ASP A 61 -4.568 4.186 -14.041 1.00 0.00 N ATOM 828 CA ASP A 61 -3.876 3.734 -12.840 1.00 0.00 C ATOM 829 C ASP A 61 -4.548 4.284 -11.586 1.00 0.00 C ATOM 830 O ASP A 61 -5.368 5.200 -11.658 1.00 0.00 O ATOM 831 CB ASP A 61 -2.409 4.164 -12.878 1.00 0.00 C ATOM 832 CG ASP A 61 -1.805 4.040 -14.263 1.00 0.00 C ATOM 833 OD1 ASP A 61 -1.990 4.968 -15.077 1.00 0.00 O ATOM 834 OD2 ASP A 61 -1.147 3.013 -14.534 1.00 0.00 O ATOM 0 HA ASP A 61 -3.926 2.646 -12.810 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.327 5.197 -12.540 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.836 3.554 -12.179 1.00 0.00 H new ATOM 839 N LYS A 62 -4.196 3.719 -10.436 1.00 0.00 N ATOM 840 CA LYS A 62 -4.764 4.152 -9.165 1.00 0.00 C ATOM 841 C LYS A 62 -3.689 4.224 -8.085 1.00 0.00 C ATOM 842 O LYS A 62 -3.192 3.206 -7.602 1.00 0.00 O ATOM 843 CB LYS A 62 -5.878 3.197 -8.729 1.00 0.00 C ATOM 844 CG LYS A 62 -6.943 2.980 -9.789 1.00 0.00 C ATOM 845 CD LYS A 62 -8.001 4.070 -9.749 1.00 0.00 C ATOM 846 CE LYS A 62 -8.639 4.278 -11.113 1.00 0.00 C ATOM 847 NZ LYS A 62 -9.890 5.082 -11.024 1.00 0.00 N ATOM 0 H LYS A 62 -3.519 2.960 -10.358 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.182 5.149 -9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.438 2.235 -8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.349 3.589 -7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.478 2.960 -10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.414 2.009 -9.639 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.770 3.806 -9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.551 5.003 -9.411 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.931 4.780 -11.772 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.861 3.310 -11.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.294 5.201 -11.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.576 4.591 -10.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.675 6.016 -10.620 1.00 0.00 H new ATOM 861 N PRO A 63 -3.322 5.453 -7.695 1.00 0.00 N ATOM 862 CA PRO A 63 -2.304 5.687 -6.666 1.00 0.00 C ATOM 863 C PRO A 63 -2.782 5.281 -5.276 1.00 0.00 C ATOM 864 O PRO A 63 -3.726 5.862 -4.739 1.00 0.00 O ATOM 865 CB PRO A 63 -2.073 7.198 -6.732 1.00 0.00 C ATOM 866 CG PRO A 63 -3.342 7.752 -7.282 1.00 0.00 C ATOM 867 CD PRO A 63 -3.873 6.711 -8.227 1.00 0.00 C ATOM 0 HA PRO A 63 -1.404 5.097 -6.841 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.856 7.609 -5.746 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.225 7.441 -7.372 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.057 7.956 -6.485 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.164 8.695 -7.800 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.963 6.699 -8.240 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.544 6.892 -9.250 1.00 0.00 H new ATOM 875 N LEU A 64 -2.124 4.283 -4.697 1.00 0.00 N ATOM 876 CA LEU A 64 -2.481 3.800 -3.367 1.00 0.00 C ATOM 877 C LEU A 64 -1.572 4.409 -2.305 1.00 0.00 C ATOM 878 O LEU A 64 -0.350 4.275 -2.367 1.00 0.00 O ATOM 879 CB LEU A 64 -2.393 2.274 -3.317 1.00 0.00 C ATOM 880 CG LEU A 64 -2.061 1.666 -1.954 1.00 0.00 C ATOM 881 CD1 LEU A 64 -3.135 2.017 -0.936 1.00 0.00 C ATOM 882 CD2 LEU A 64 -1.903 0.157 -2.067 1.00 0.00 C ATOM 0 H LEU A 64 -1.340 3.792 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.506 4.105 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.345 1.864 -3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.636 1.950 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.115 2.085 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.881 1.575 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.199 3.100 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.096 1.627 -1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.667 -0.258 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.833 -0.280 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.096 -0.073 -2.763 1.00 0.00 H new ATOM 894 N ARG A 65 -2.177 5.078 -1.328 1.00 0.00 N ATOM 895 CA ARG A 65 -1.423 5.707 -0.251 1.00 0.00 C ATOM 896 C ARG A 65 -1.357 4.795 0.971 1.00 0.00 C ATOM 897 O ARG A 65 -2.377 4.507 1.598 1.00 0.00 O ATOM 898 CB ARG A 65 -2.057 7.045 0.131 1.00 0.00 C ATOM 899 CG ARG A 65 -1.115 7.974 0.879 1.00 0.00 C ATOM 900 CD ARG A 65 -1.758 9.328 1.138 1.00 0.00 C ATOM 901 NE ARG A 65 -0.762 10.375 1.351 1.00 0.00 N ATOM 902 CZ ARG A 65 -1.068 11.623 1.688 1.00 0.00 C ATOM 903 NH1 ARG A 65 -2.335 11.978 1.849 1.00 0.00 N ATOM 904 NH2 ARG A 65 -0.105 12.519 1.864 1.00 0.00 N ATOM 0 H ARG A 65 -3.188 5.198 -1.261 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.408 5.883 -0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.404 7.544 -0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.935 6.858 0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.829 7.518 1.827 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.200 8.109 0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.391 9.596 0.292 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.406 9.261 2.012 1.00 0.00 H new ATOM 0 HE ARG A 65 0.222 10.135 1.235 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.078 11.292 1.714 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.567 12.937 2.108 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.871 12.250 1.740 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.341 13.477 2.123 1.00 0.00 H new ATOM 918 N ILE A 66 -0.152 4.345 1.303 1.00 0.00 N ATOM 919 CA ILE A 66 0.046 3.467 2.449 1.00 0.00 C ATOM 920 C ILE A 66 0.625 4.232 3.634 1.00 0.00 C ATOM 921 O ILE A 66 1.820 4.530 3.671 1.00 0.00 O ATOM 922 CB ILE A 66 0.981 2.292 2.104 1.00 0.00 C ATOM 923 CG1 ILE A 66 0.380 1.447 0.979 1.00 0.00 C ATOM 924 CG2 ILE A 66 1.235 1.438 3.337 1.00 0.00 C ATOM 925 CD1 ILE A 66 1.193 0.215 0.649 1.00 0.00 C ATOM 0 H ILE A 66 0.702 4.574 0.794 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.934 3.073 2.718 1.00 0.00 H new ATOM 0 HB ILE A 66 1.935 2.694 1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.627 1.142 1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.287 2.062 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.897 0.612 3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.701 2.047 4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.289 1.042 3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.708 -0.336 -0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.193 0.513 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.265 -0.421 1.531 1.00 0.00 H new ATOM 937 N THR A 67 -0.228 4.546 4.603 1.00 0.00 N ATOM 938 CA THR A 67 0.198 5.276 5.791 1.00 0.00 C ATOM 939 C THR A 67 0.447 4.328 6.959 1.00 0.00 C ATOM 940 O THR A 67 -0.075 3.215 6.990 1.00 0.00 O ATOM 941 CB THR A 67 -0.848 6.326 6.210 1.00 0.00 C ATOM 942 OG1 THR A 67 -2.161 5.881 5.853 1.00 0.00 O ATOM 943 CG2 THR A 67 -0.564 7.667 5.549 1.00 0.00 C ATOM 0 H THR A 67 -1.219 4.306 4.589 1.00 0.00 H new ATOM 0 HA THR A 67 1.128 5.783 5.534 1.00 0.00 H new ATOM 0 HB THR A 67 -0.790 6.452 7.291 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.820 6.554 6.125 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.316 8.392 5.860 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.424 8.018 5.847 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.596 7.553 4.465 1.00 0.00 H new ATOM 951 N GLY A 68 1.248 4.778 7.919 1.00 0.00 N ATOM 952 CA GLY A 68 1.552 3.958 9.077 1.00 0.00 C ATOM 953 C GLY A 68 2.927 4.245 9.647 1.00 0.00 C ATOM 954 O GLY A 68 3.150 5.298 10.246 1.00 0.00 O ATOM 0 H GLY A 68 1.692 5.696 7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.800 4.130 9.847 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.490 2.906 8.799 1.00 0.00 H new ATOM 958 N ASP A 69 3.849 3.307 9.463 1.00 0.00 N ATOM 959 CA ASP A 69 5.210 3.464 9.965 1.00 0.00 C ATOM 960 C ASP A 69 6.220 3.406 8.823 1.00 0.00 C ATOM 961 O ASP A 69 5.960 2.841 7.760 1.00 0.00 O ATOM 962 CB ASP A 69 5.524 2.380 10.997 1.00 0.00 C ATOM 963 CG ASP A 69 5.210 2.820 12.413 1.00 0.00 C ATOM 964 OD1 ASP A 69 5.508 3.984 12.752 1.00 0.00 O ATOM 965 OD2 ASP A 69 4.666 2.000 13.182 1.00 0.00 O ATOM 0 H ASP A 69 3.680 2.430 8.970 1.00 0.00 H new ATOM 0 HA ASP A 69 5.285 4.441 10.443 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.951 1.483 10.763 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.578 2.112 10.928 1.00 0.00 H new ATOM 970 N PRO A 70 7.400 4.004 9.045 1.00 0.00 N ATOM 971 CA PRO A 70 8.472 4.034 8.046 1.00 0.00 C ATOM 972 C PRO A 70 9.098 2.661 7.826 1.00 0.00 C ATOM 973 O PRO A 70 9.560 2.347 6.729 1.00 0.00 O ATOM 974 CB PRO A 70 9.495 4.997 8.653 1.00 0.00 C ATOM 975 CG PRO A 70 9.254 4.930 10.121 1.00 0.00 C ATOM 976 CD PRO A 70 7.778 4.696 10.288 1.00 0.00 C ATOM 0 HA PRO A 70 8.107 4.340 7.066 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.514 4.700 8.405 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.358 6.010 8.275 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.831 4.124 10.575 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.560 5.855 10.609 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.564 4.088 11.167 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.234 5.633 10.408 1.00 0.00 H new ATOM 984 N TYR A 71 9.110 1.847 8.876 1.00 0.00 N ATOM 985 CA TYR A 71 9.682 0.507 8.798 1.00 0.00 C ATOM 986 C TYR A 71 8.640 -0.503 8.327 1.00 0.00 C ATOM 987 O TYR A 71 8.978 -1.551 7.777 1.00 0.00 O ATOM 988 CB TYR A 71 10.237 0.087 10.159 1.00 0.00 C ATOM 989 CG TYR A 71 10.848 -1.296 10.163 1.00 0.00 C ATOM 990 CD1 TYR A 71 10.056 -2.427 10.320 1.00 0.00 C ATOM 991 CD2 TYR A 71 12.218 -1.472 10.009 1.00 0.00 C ATOM 992 CE1 TYR A 71 10.611 -3.692 10.325 1.00 0.00 C ATOM 993 CE2 TYR A 71 12.781 -2.734 10.012 1.00 0.00 C ATOM 994 CZ TYR A 71 11.973 -3.840 10.170 1.00 0.00 C ATOM 995 OH TYR A 71 12.529 -5.099 10.173 1.00 0.00 O ATOM 0 H TYR A 71 8.731 2.091 9.791 1.00 0.00 H new ATOM 0 HA TYR A 71 10.495 0.528 8.073 1.00 0.00 H new ATOM 0 HB2 TYR A 71 10.991 0.809 10.473 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.435 0.123 10.896 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.989 -2.315 10.440 1.00 0.00 H new ATOM 0 HD2 TYR A 71 12.853 -0.608 9.885 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.981 -4.561 10.450 1.00 0.00 H new ATOM 0 HE2 TYR A 71 13.848 -2.853 9.891 1.00 0.00 H new ATOM 0 HH TYR A 71 13.499 -5.029 10.052 1.00 0.00 H new ATOM 1005 N LYS A 72 7.370 -0.179 8.547 1.00 0.00 N ATOM 1006 CA LYS A 72 6.276 -1.056 8.146 1.00 0.00 C ATOM 1007 C LYS A 72 5.779 -0.699 6.748 1.00 0.00 C ATOM 1008 O LYS A 72 5.756 -1.544 5.852 1.00 0.00 O ATOM 1009 CB LYS A 72 5.124 -0.959 9.148 1.00 0.00 C ATOM 1010 CG LYS A 72 5.579 -0.927 10.597 1.00 0.00 C ATOM 1011 CD LYS A 72 4.398 -0.877 11.552 1.00 0.00 C ATOM 1012 CE LYS A 72 3.795 -2.257 11.766 1.00 0.00 C ATOM 1013 NZ LYS A 72 2.871 -2.283 12.933 1.00 0.00 N ATOM 0 H LYS A 72 7.073 0.685 9.001 1.00 0.00 H new ATOM 0 HA LYS A 72 6.650 -2.080 8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.545 -0.059 8.938 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.456 -1.808 9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.182 -1.810 10.809 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.217 -0.058 10.760 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.720 -0.467 12.509 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.637 -0.204 11.157 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.256 -2.561 10.869 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.594 -2.983 11.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.481 -3.240 13.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.391 -2.018 13.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.095 -1.609 12.776 1.00 0.00 H new ATOM 1027 N VAL A 73 5.383 0.557 6.568 1.00 0.00 N ATOM 1028 CA VAL A 73 4.889 1.025 5.279 1.00 0.00 C ATOM 1029 C VAL A 73 5.759 0.511 4.137 1.00 0.00 C ATOM 1030 O VAL A 73 5.251 0.090 3.099 1.00 0.00 O ATOM 1031 CB VAL A 73 4.841 2.564 5.221 1.00 0.00 C ATOM 1032 CG1 VAL A 73 4.639 3.039 3.791 1.00 0.00 C ATOM 1033 CG2 VAL A 73 3.743 3.097 6.129 1.00 0.00 C ATOM 0 H VAL A 73 5.395 1.269 7.299 1.00 0.00 H new ATOM 0 HA VAL A 73 3.878 0.633 5.166 1.00 0.00 H new ATOM 0 HB VAL A 73 5.795 2.953 5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.608 4.128 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.464 2.688 3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.700 2.642 3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.723 4.186 6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.780 2.700 5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.938 2.787 7.156 1.00 0.00 H new ATOM 1043 N GLN A 74 7.072 0.549 4.338 1.00 0.00 N ATOM 1044 CA GLN A 74 8.013 0.087 3.325 1.00 0.00 C ATOM 1045 C GLN A 74 7.828 -1.401 3.048 1.00 0.00 C ATOM 1046 O GLN A 74 8.027 -1.862 1.924 1.00 0.00 O ATOM 1047 CB GLN A 74 9.450 0.360 3.771 1.00 0.00 C ATOM 1048 CG GLN A 74 9.872 -0.444 4.990 1.00 0.00 C ATOM 1049 CD GLN A 74 11.369 -0.677 5.047 1.00 0.00 C ATOM 1050 OE1 GLN A 74 12.107 -0.264 4.153 1.00 0.00 O ATOM 1051 NE2 GLN A 74 11.825 -1.341 6.103 1.00 0.00 N ATOM 0 H GLN A 74 7.508 0.895 5.193 1.00 0.00 H new ATOM 0 HA GLN A 74 7.815 0.636 2.405 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.126 0.136 2.946 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.558 1.422 3.992 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.555 0.079 5.892 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.359 -1.406 4.982 1.00 0.00 H new ATOM 0 HE21 GLN A 74 11.177 -1.665 6.821 1.00 0.00 H new ATOM 0 HE22 GLN A 74 12.824 -1.527 6.196 1.00 0.00 H new ATOM 1060 N GLN A 75 7.445 -2.147 4.080 1.00 0.00 N ATOM 1061 CA GLN A 75 7.234 -3.583 3.947 1.00 0.00 C ATOM 1062 C GLN A 75 5.925 -3.877 3.222 1.00 0.00 C ATOM 1063 O GLN A 75 5.890 -4.665 2.278 1.00 0.00 O ATOM 1064 CB GLN A 75 7.229 -4.249 5.324 1.00 0.00 C ATOM 1065 CG GLN A 75 8.578 -4.212 6.023 1.00 0.00 C ATOM 1066 CD GLN A 75 9.578 -5.175 5.414 1.00 0.00 C ATOM 1067 OE1 GLN A 75 10.419 -4.784 4.604 1.00 0.00 O ATOM 1068 NE2 GLN A 75 9.491 -6.442 5.800 1.00 0.00 N ATOM 0 H GLN A 75 7.275 -1.780 5.016 1.00 0.00 H new ATOM 0 HA GLN A 75 8.054 -3.991 3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.489 -3.756 5.954 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.914 -5.287 5.215 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.979 -3.200 5.976 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.443 -4.453 7.077 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.778 -6.722 6.474 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.137 -7.136 5.423 1.00 0.00 H new ATOM 1077 N ALA A 76 4.850 -3.237 3.670 1.00 0.00 N ATOM 1078 CA ALA A 76 3.539 -3.428 3.063 1.00 0.00 C ATOM 1079 C ALA A 76 3.577 -3.129 1.568 1.00 0.00 C ATOM 1080 O ALA A 76 2.989 -3.852 0.764 1.00 0.00 O ATOM 1081 CB ALA A 76 2.505 -2.550 3.752 1.00 0.00 C ATOM 0 H ALA A 76 4.861 -2.582 4.451 1.00 0.00 H new ATOM 0 HA ALA A 76 3.256 -4.473 3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.531 -2.703 3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.450 -2.814 4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.793 -1.503 3.654 1.00 0.00 H new ATOM 1087 N LYS A 77 4.273 -2.058 1.201 1.00 0.00 N ATOM 1088 CA LYS A 77 4.389 -1.662 -0.197 1.00 0.00 C ATOM 1089 C LYS A 77 4.753 -2.858 -1.072 1.00 0.00 C ATOM 1090 O LYS A 77 4.338 -2.941 -2.228 1.00 0.00 O ATOM 1091 CB LYS A 77 5.443 -0.564 -0.352 1.00 0.00 C ATOM 1092 CG LYS A 77 5.917 -0.373 -1.783 1.00 0.00 C ATOM 1093 CD LYS A 77 7.166 0.491 -1.846 1.00 0.00 C ATOM 1094 CE LYS A 77 8.379 -0.243 -1.295 1.00 0.00 C ATOM 1095 NZ LYS A 77 9.624 0.563 -1.432 1.00 0.00 N ATOM 0 H LYS A 77 4.766 -1.448 1.854 1.00 0.00 H new ATOM 0 HA LYS A 77 3.422 -1.277 -0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.032 0.377 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.300 -0.804 0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.123 -1.345 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.124 0.089 -2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.355 0.785 -2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.005 1.407 -1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.214 -0.480 -0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.500 -1.190 -1.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.428 0.028 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.796 0.768 -2.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.519 1.456 -0.910 1.00 0.00 H new ATOM 1109 N GLU A 78 5.529 -3.781 -0.513 1.00 0.00 N ATOM 1110 CA GLU A 78 5.946 -4.972 -1.244 1.00 0.00 C ATOM 1111 C GLU A 78 4.800 -5.973 -1.354 1.00 0.00 C ATOM 1112 O GLU A 78 4.541 -6.520 -2.425 1.00 0.00 O ATOM 1113 CB GLU A 78 7.145 -5.626 -0.553 1.00 0.00 C ATOM 1114 CG GLU A 78 8.408 -4.782 -0.597 1.00 0.00 C ATOM 1115 CD GLU A 78 9.256 -5.064 -1.822 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.648 -6.234 -2.015 1.00 0.00 O ATOM 1117 OE2 GLU A 78 9.527 -4.115 -2.587 1.00 0.00 O ATOM 0 H GLU A 78 5.881 -3.727 0.443 1.00 0.00 H new ATOM 0 HA GLU A 78 6.236 -4.667 -2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.889 -5.827 0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.345 -6.588 -1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.136 -3.727 -0.583 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.998 -4.971 0.300 1.00 0.00 H new ATOM 1124 N MET A 79 4.117 -6.207 -0.238 1.00 0.00 N ATOM 1125 CA MET A 79 2.998 -7.141 -0.209 1.00 0.00 C ATOM 1126 C MET A 79 1.980 -6.804 -1.293 1.00 0.00 C ATOM 1127 O MET A 79 1.513 -7.684 -2.016 1.00 0.00 O ATOM 1128 CB MET A 79 2.324 -7.120 1.165 1.00 0.00 C ATOM 1129 CG MET A 79 3.028 -7.982 2.200 1.00 0.00 C ATOM 1130 SD MET A 79 2.654 -7.481 3.891 1.00 0.00 S ATOM 1131 CE MET A 79 0.864 -7.550 3.877 1.00 0.00 C ATOM 0 H MET A 79 4.319 -5.763 0.658 1.00 0.00 H new ATOM 0 HA MET A 79 3.387 -8.141 -0.400 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.285 -6.092 1.526 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.294 -7.460 1.061 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.735 -9.023 2.060 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.105 -7.929 2.039 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.479 -7.198 4.834 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.482 -6.917 3.077 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.541 -8.578 3.712 1.00 0.00 H new ATOM 1141 N VAL A 80 1.639 -5.523 -1.401 1.00 0.00 N ATOM 1142 CA VAL A 80 0.676 -5.070 -2.397 1.00 0.00 C ATOM 1143 C VAL A 80 1.276 -5.110 -3.798 1.00 0.00 C ATOM 1144 O VAL A 80 0.706 -5.706 -4.713 1.00 0.00 O ATOM 1145 CB VAL A 80 0.192 -3.639 -2.099 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -0.941 -3.251 -3.038 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -0.244 -3.516 -0.647 1.00 0.00 C ATOM 0 H VAL A 80 2.016 -4.781 -0.811 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.174 -5.751 -2.349 1.00 0.00 H new ATOM 0 HB VAL A 80 1.022 -2.952 -2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.270 -2.237 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.591 -3.298 -4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.775 -3.940 -2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.583 -2.498 -0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.059 -4.213 -0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.597 -3.748 0.006 1.00 0.00 H new ATOM 1157 N LEU A 81 2.430 -4.471 -3.960 1.00 0.00 N ATOM 1158 CA LEU A 81 3.109 -4.434 -5.251 1.00 0.00 C ATOM 1159 C LEU A 81 3.234 -5.835 -5.841 1.00 0.00 C ATOM 1160 O LEU A 81 3.242 -6.006 -7.060 1.00 0.00 O ATOM 1161 CB LEU A 81 4.495 -3.805 -5.102 1.00 0.00 C ATOM 1162 CG LEU A 81 4.548 -2.278 -5.156 1.00 0.00 C ATOM 1163 CD1 LEU A 81 5.910 -1.775 -4.703 1.00 0.00 C ATOM 1164 CD2 LEU A 81 4.235 -1.782 -6.560 1.00 0.00 C ATOM 0 H LEU A 81 2.915 -3.972 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 81 2.512 -3.826 -5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.919 -4.130 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.137 -4.199 -5.889 1.00 0.00 H new ATOM 0 HG LEU A 81 3.793 -1.884 -4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.929 -0.686 -4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.095 -2.099 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.683 -2.179 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.277 -0.693 -6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.966 -2.186 -7.260 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.237 -2.111 -6.848 1.00 0.00 H new ATOM 1176 N GLU A 82 3.330 -6.833 -4.968 1.00 0.00 N ATOM 1177 CA GLU A 82 3.453 -8.219 -5.404 1.00 0.00 C ATOM 1178 C GLU A 82 2.085 -8.810 -5.732 1.00 0.00 C ATOM 1179 O GLU A 82 1.967 -9.703 -6.572 1.00 0.00 O ATOM 1180 CB GLU A 82 4.138 -9.058 -4.323 1.00 0.00 C ATOM 1181 CG GLU A 82 4.346 -10.510 -4.720 1.00 0.00 C ATOM 1182 CD GLU A 82 5.439 -10.681 -5.756 1.00 0.00 C ATOM 1183 OE1 GLU A 82 6.609 -10.382 -5.438 1.00 0.00 O ATOM 1184 OE2 GLU A 82 5.125 -11.112 -6.885 1.00 0.00 O ATOM 0 H GLU A 82 3.325 -6.708 -3.956 1.00 0.00 H new ATOM 0 HA GLU A 82 4.063 -8.236 -6.307 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.105 -8.613 -4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.540 -9.021 -3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.597 -11.093 -3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.412 -10.913 -5.113 1.00 0.00 H new ATOM 1191 N LEU A 83 1.054 -8.306 -5.062 1.00 0.00 N ATOM 1192 CA LEU A 83 -0.307 -8.784 -5.281 1.00 0.00 C ATOM 1193 C LEU A 83 -0.779 -8.456 -6.694 1.00 0.00 C ATOM 1194 O LEU A 83 -1.553 -9.206 -7.290 1.00 0.00 O ATOM 1195 CB LEU A 83 -1.257 -8.162 -4.256 1.00 0.00 C ATOM 1196 CG LEU A 83 -2.605 -8.863 -4.079 1.00 0.00 C ATOM 1197 CD1 LEU A 83 -3.492 -8.629 -5.292 1.00 0.00 C ATOM 1198 CD2 LEU A 83 -2.405 -10.352 -3.842 1.00 0.00 C ATOM 0 H LEU A 83 1.134 -7.567 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.310 -9.867 -5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.753 -8.139 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.443 -7.127 -4.544 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.100 -8.440 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.446 -9.135 -5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.663 -7.560 -5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.003 -9.024 -6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.375 -10.834 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.888 -10.790 -4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.809 -10.500 -2.942 1.00 0.00 H new ATOM 1210 N ILE A 84 -0.307 -7.333 -7.224 1.00 0.00 N ATOM 1211 CA ILE A 84 -0.678 -6.908 -8.568 1.00 0.00 C ATOM 1212 C ILE A 84 0.337 -7.392 -9.598 1.00 0.00 C ATOM 1213 O ILE A 84 -0.019 -7.712 -10.732 1.00 0.00 O ATOM 1214 CB ILE A 84 -0.796 -5.375 -8.661 1.00 0.00 C ATOM 1215 CG1 ILE A 84 0.586 -4.728 -8.549 1.00 0.00 C ATOM 1216 CG2 ILE A 84 -1.724 -4.848 -7.576 1.00 0.00 C ATOM 1217 CD1 ILE A 84 1.270 -4.530 -9.883 1.00 0.00 C ATOM 0 H ILE A 84 0.333 -6.701 -6.743 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.650 -7.353 -8.783 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.220 -5.116 -9.631 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.487 -3.762 -8.054 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.218 -5.349 -7.914 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.797 -3.763 -7.655 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.714 -5.288 -7.698 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.327 -5.115 -6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.244 -4.067 -9.727 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.401 -5.496 -10.372 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.658 -3.884 -10.513 1.00 0.00 H new