USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 663 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 20 THR OG1 : rot -0:sc= 0.908! USER MOD Set 1.2: A 23 THR OG1 : rot 13:sc= 0.74 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 160:sc= -1.06 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 38 TYR OH : rot 30:sc= -0.477 USER MOD Single : A 41 SER OG : rot -162:sc= -0.954 USER MOD Single : A 43 HIS : no HD1:sc= -0.742 K(o=-0.74,f=-2.3) USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00379 USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 50 GLN : amide:sc= 0.219 X(o=0.22,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.15) USER MOD Single : A 62 GLN : amide:sc= -1.01 K(o=-1,f=-0.3) USER MOD Single : A 69 SER OG : rot -43:sc= 0.515 USER MOD Single : A 70 THR OG1 : rot -130:sc= -1.27 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 107:sc= 0.583 USER MOD Single : A 73 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.9!) USER MOD Single : A 77 GLN : amide:sc= -0.139 K(o=-0.14,f=-2.3!) USER MOD Single : A 79 MET CE :methyl -158:sc= -0.0834 (180deg=-0.571) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 155:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 16.474 -4.852 -3.480 1.00 0.00 N ATOM 86 CA GLU A 9 15.521 -5.608 -2.677 1.00 0.00 C ATOM 87 C GLU A 9 14.186 -4.874 -2.582 1.00 0.00 C ATOM 88 O GLU A 9 14.146 -3.658 -2.397 1.00 0.00 O ATOM 89 CB GLU A 9 16.082 -5.852 -1.274 1.00 0.00 C ATOM 90 CG GLU A 9 16.921 -7.114 -1.165 1.00 0.00 C ATOM 91 CD GLU A 9 16.150 -8.362 -1.550 1.00 0.00 C ATOM 92 OE1 GLU A 9 15.237 -8.753 -0.793 1.00 0.00 O ATOM 93 OE2 GLU A 9 16.461 -8.947 -2.608 1.00 0.00 O ATOM 0 HA GLU A 9 15.354 -6.568 -3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.689 -4.996 -0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.255 -5.913 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.797 -7.020 -1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.285 -7.217 -0.143 1.00 0.00 H new ATOM 100 N ALA A 10 13.096 -5.623 -2.712 1.00 0.00 N ATOM 101 CA ALA A 10 11.759 -5.045 -2.639 1.00 0.00 C ATOM 102 C ALA A 10 11.121 -5.306 -1.279 1.00 0.00 C ATOM 103 O ALA A 10 11.427 -6.287 -0.601 1.00 0.00 O ATOM 104 CB ALA A 10 10.883 -5.602 -3.751 1.00 0.00 C ATOM 0 H ALA A 10 13.112 -6.631 -2.868 1.00 0.00 H new ATOM 0 HA ALA A 10 11.849 -3.966 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.888 -5.162 -3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.324 -5.359 -4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.809 -6.685 -3.648 1.00 0.00 H new ATOM 110 N PRO A 11 10.214 -4.407 -0.868 1.00 0.00 N ATOM 111 CA PRO A 11 9.514 -4.519 0.415 1.00 0.00 C ATOM 112 C PRO A 11 8.521 -5.676 0.435 1.00 0.00 C ATOM 113 O PRO A 11 8.105 -6.168 -0.615 1.00 0.00 O ATOM 114 CB PRO A 11 8.779 -3.182 0.536 1.00 0.00 C ATOM 115 CG PRO A 11 8.598 -2.721 -0.870 1.00 0.00 C ATOM 116 CD PRO A 11 9.801 -3.214 -1.625 1.00 0.00 C ATOM 0 HA PRO A 11 10.201 -4.720 1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.820 -3.302 1.040 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.357 -2.463 1.117 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.678 -3.121 -1.297 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.525 -1.635 -0.918 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.554 -3.459 -2.658 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.591 -2.464 -1.655 1.00 0.00 H new ATOM 124 N ARG A 12 8.146 -6.107 1.635 1.00 0.00 N ATOM 125 CA ARG A 12 7.202 -7.207 1.790 1.00 0.00 C ATOM 126 C ARG A 12 6.375 -7.039 3.062 1.00 0.00 C ATOM 127 O ARG A 12 6.557 -6.078 3.810 1.00 0.00 O ATOM 128 CB ARG A 12 7.945 -8.544 1.826 1.00 0.00 C ATOM 129 CG ARG A 12 8.908 -8.674 2.995 1.00 0.00 C ATOM 130 CD ARG A 12 10.283 -8.123 2.648 1.00 0.00 C ATOM 131 NE ARG A 12 11.119 -9.117 1.982 1.00 0.00 N ATOM 132 CZ ARG A 12 11.535 -10.237 2.564 1.00 0.00 C ATOM 133 NH1 ARG A 12 11.194 -10.503 3.817 1.00 0.00 N ATOM 134 NH2 ARG A 12 12.294 -11.093 1.892 1.00 0.00 N ATOM 0 H ARG A 12 8.481 -5.711 2.513 1.00 0.00 H new ATOM 0 HA ARG A 12 6.527 -7.196 0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.217 -9.354 1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.498 -8.668 0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.508 -8.141 3.858 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.996 -9.722 3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.172 -7.252 2.002 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.778 -7.784 3.558 1.00 0.00 H new ATOM 0 HE ARG A 12 11.399 -8.942 1.017 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.611 -9.847 4.337 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.515 -11.363 4.261 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.559 -10.892 0.928 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.613 -11.952 2.340 1.00 0.00 H new ATOM 148 N ASP A 13 5.467 -7.979 3.300 1.00 0.00 N ATOM 149 CA ASP A 13 4.613 -7.935 4.481 1.00 0.00 C ATOM 150 C ASP A 13 3.613 -6.786 4.386 1.00 0.00 C ATOM 151 O ASP A 13 3.401 -6.053 5.353 1.00 0.00 O ATOM 152 CB ASP A 13 5.461 -7.787 5.745 1.00 0.00 C ATOM 153 CG ASP A 13 4.711 -8.197 6.997 1.00 0.00 C ATOM 154 OD1 ASP A 13 4.523 -9.413 7.204 1.00 0.00 O ATOM 155 OD2 ASP A 13 4.311 -7.300 7.770 1.00 0.00 O ATOM 0 H ASP A 13 5.303 -8.781 2.691 1.00 0.00 H new ATOM 0 HA ASP A 13 4.058 -8.872 4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.361 -8.395 5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.785 -6.751 5.842 1.00 0.00 H new ATOM 160 N LEU A 14 3.003 -6.634 3.216 1.00 0.00 N ATOM 161 CA LEU A 14 2.026 -5.574 2.995 1.00 0.00 C ATOM 162 C LEU A 14 0.614 -6.063 3.296 1.00 0.00 C ATOM 163 O LEU A 14 0.035 -6.829 2.526 1.00 0.00 O ATOM 164 CB LEU A 14 2.108 -5.072 1.552 1.00 0.00 C ATOM 165 CG LEU A 14 1.148 -3.942 1.179 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.602 -2.629 1.799 1.00 0.00 C ATOM 167 CD2 LEU A 14 1.040 -3.811 -0.333 1.00 0.00 C ATOM 0 H LEU A 14 3.168 -7.231 2.406 1.00 0.00 H new ATOM 0 HA LEU A 14 2.258 -4.753 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.127 -4.733 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.923 -5.914 0.885 1.00 0.00 H new ATOM 0 HG LEU A 14 0.161 -4.184 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.907 -1.836 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.626 -2.728 2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.599 -2.380 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.353 -3.002 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.023 -3.592 -0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.667 -4.745 -0.753 1.00 0.00 H new ATOM 179 N GLU A 15 0.064 -5.613 4.420 1.00 0.00 N ATOM 180 CA GLU A 15 -1.282 -6.005 4.821 1.00 0.00 C ATOM 181 C GLU A 15 -2.013 -4.840 5.483 1.00 0.00 C ATOM 182 O GLU A 15 -1.442 -4.119 6.300 1.00 0.00 O ATOM 183 CB GLU A 15 -1.226 -7.196 5.780 1.00 0.00 C ATOM 184 CG GLU A 15 -2.588 -7.796 6.086 1.00 0.00 C ATOM 185 CD GLU A 15 -3.047 -8.774 5.022 1.00 0.00 C ATOM 186 OE1 GLU A 15 -3.048 -8.397 3.831 1.00 0.00 O ATOM 187 OE2 GLU A 15 -3.405 -9.915 5.379 1.00 0.00 O ATOM 0 H GLU A 15 0.529 -4.978 5.068 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.831 -6.295 3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.587 -7.967 5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.760 -6.879 6.713 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.549 -8.305 7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.321 -6.995 6.178 1.00 0.00 H new ATOM 194 N ALA A 16 -3.280 -4.663 5.122 1.00 0.00 N ATOM 195 CA ALA A 16 -4.090 -3.587 5.680 1.00 0.00 C ATOM 196 C ALA A 16 -4.230 -3.734 7.192 1.00 0.00 C ATOM 197 O ALA A 16 -4.478 -4.828 7.700 1.00 0.00 O ATOM 198 CB ALA A 16 -5.461 -3.562 5.021 1.00 0.00 C ATOM 0 H ALA A 16 -3.767 -5.251 4.446 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.585 -2.642 5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.055 -2.754 5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.347 -3.402 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.965 -4.513 5.194 1.00 0.00 H new ATOM 204 N LYS A 17 -4.070 -2.625 7.906 1.00 0.00 N ATOM 205 CA LYS A 17 -4.180 -2.629 9.360 1.00 0.00 C ATOM 206 C LYS A 17 -4.920 -1.390 9.854 1.00 0.00 C ATOM 207 O LYS A 17 -5.123 -0.438 9.102 1.00 0.00 O ATOM 208 CB LYS A 17 -2.789 -2.692 9.997 1.00 0.00 C ATOM 209 CG LYS A 17 -2.336 -4.103 10.329 1.00 0.00 C ATOM 210 CD LYS A 17 -0.843 -4.277 10.105 1.00 0.00 C ATOM 211 CE LYS A 17 -0.476 -5.739 9.904 1.00 0.00 C ATOM 212 NZ LYS A 17 -0.084 -6.393 11.184 1.00 0.00 N ATOM 0 H LYS A 17 -3.864 -1.712 7.501 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.749 -3.511 9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.067 -2.238 9.319 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.789 -2.095 10.909 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.578 -4.329 11.368 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.883 -4.816 9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.535 -3.700 9.233 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.297 -3.878 10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.323 -6.270 9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.346 -5.813 9.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.159 -7.388 11.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.740 -5.902 11.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.877 -6.345 11.855 1.00 0.00 H new ATOM 226 N GLU A 18 -5.320 -1.411 11.121 1.00 0.00 N ATOM 227 CA GLU A 18 -6.038 -0.288 11.713 1.00 0.00 C ATOM 228 C GLU A 18 -7.048 0.293 10.728 1.00 0.00 C ATOM 229 O GLU A 18 -7.244 1.507 10.666 1.00 0.00 O ATOM 230 CB GLU A 18 -5.055 0.799 12.153 1.00 0.00 C ATOM 231 CG GLU A 18 -3.834 0.259 12.879 1.00 0.00 C ATOM 232 CD GLU A 18 -4.154 -0.216 14.284 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.148 0.270 14.862 1.00 0.00 O ATOM 234 OE2 GLU A 18 -3.410 -1.073 14.804 1.00 0.00 O ATOM 0 H GLU A 18 -5.159 -2.192 11.757 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.578 -0.655 12.586 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.728 1.358 11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.573 1.503 12.805 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.412 -0.567 12.307 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.071 1.036 12.927 1.00 0.00 H new ATOM 241 N VAL A 19 -7.687 -0.583 9.959 1.00 0.00 N ATOM 242 CA VAL A 19 -8.677 -0.159 8.977 1.00 0.00 C ATOM 243 C VAL A 19 -9.901 0.444 9.656 1.00 0.00 C ATOM 244 O VAL A 19 -10.336 -0.025 10.709 1.00 0.00 O ATOM 245 CB VAL A 19 -9.124 -1.334 8.087 1.00 0.00 C ATOM 246 CG1 VAL A 19 -10.140 -0.867 7.056 1.00 0.00 C ATOM 247 CG2 VAL A 19 -7.922 -1.976 7.411 1.00 0.00 C ATOM 0 H VAL A 19 -7.536 -1.591 9.998 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.201 0.598 8.354 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.601 -2.084 8.717 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.444 -1.711 6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.013 -0.457 7.565 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.693 -0.098 6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.256 -2.804 6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.414 -1.236 6.792 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.234 -2.348 8.170 1.00 0.00 H new ATOM 257 N THR A 20 -10.456 1.487 9.047 1.00 0.00 N ATOM 258 CA THR A 20 -11.631 2.155 9.593 1.00 0.00 C ATOM 259 C THR A 20 -12.504 2.726 8.482 1.00 0.00 C ATOM 260 O THR A 20 -12.060 2.927 7.351 1.00 0.00 O ATOM 261 CB THR A 20 -11.234 3.292 10.554 1.00 0.00 C ATOM 262 OG1 THR A 20 -9.977 3.851 10.160 1.00 0.00 O ATOM 263 CG2 THR A 20 -11.142 2.783 11.985 1.00 0.00 C ATOM 0 H THR A 20 -10.110 1.888 8.175 1.00 0.00 H new ATOM 0 HA THR A 20 -12.195 1.403 10.145 1.00 0.00 H new ATOM 0 HB THR A 20 -12.004 4.062 10.507 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.645 3.382 9.367 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.860 3.603 12.645 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.109 2.385 12.293 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.391 1.996 12.044 1.00 0.00 H new ATOM 271 N PRO A 21 -13.777 2.996 8.808 1.00 0.00 N ATOM 272 CA PRO A 21 -14.739 3.550 7.851 1.00 0.00 C ATOM 273 C PRO A 21 -14.424 4.995 7.482 1.00 0.00 C ATOM 274 O PRO A 21 -15.160 5.627 6.724 1.00 0.00 O ATOM 275 CB PRO A 21 -16.072 3.467 8.599 1.00 0.00 C ATOM 276 CG PRO A 21 -15.698 3.488 10.041 1.00 0.00 C ATOM 277 CD PRO A 21 -14.374 2.782 10.137 1.00 0.00 C ATOM 0 HA PRO A 21 -14.731 3.008 6.905 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -16.721 4.305 8.346 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -16.614 2.556 8.343 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.622 4.511 10.409 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.452 2.986 10.647 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -13.752 3.200 10.929 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.499 1.721 10.356 1.00 0.00 H new ATOM 285 N ARG A 22 -13.327 5.513 8.024 1.00 0.00 N ATOM 286 CA ARG A 22 -12.915 6.886 7.752 1.00 0.00 C ATOM 287 C ARG A 22 -11.462 6.936 7.289 1.00 0.00 C ATOM 288 O ARG A 22 -11.108 7.714 6.403 1.00 0.00 O ATOM 289 CB ARG A 22 -13.094 7.751 9.001 1.00 0.00 C ATOM 290 CG ARG A 22 -14.549 7.993 9.371 1.00 0.00 C ATOM 291 CD ARG A 22 -14.678 9.044 10.462 1.00 0.00 C ATOM 292 NE ARG A 22 -14.323 8.515 11.776 1.00 0.00 N ATOM 293 CZ ARG A 22 -14.056 9.281 12.829 1.00 0.00 C ATOM 294 NH1 ARG A 22 -14.104 10.601 12.721 1.00 0.00 N ATOM 295 NH2 ARG A 22 -13.740 8.725 13.992 1.00 0.00 N ATOM 0 H ARG A 22 -12.707 5.004 8.654 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.546 7.277 6.954 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.589 7.272 9.840 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.604 8.711 8.841 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.102 8.314 8.488 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.000 7.060 9.708 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.035 9.892 10.227 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.702 9.418 10.486 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.277 7.503 11.892 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.346 11.031 11.828 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.899 11.187 13.530 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.702 7.709 14.078 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.535 9.313 14.800 1.00 0.00 H new ATOM 309 N THR A 23 -10.624 6.100 7.895 1.00 0.00 N ATOM 310 CA THR A 23 -9.210 6.051 7.547 1.00 0.00 C ATOM 311 C THR A 23 -8.712 4.612 7.475 1.00 0.00 C ATOM 312 O THR A 23 -9.462 3.672 7.735 1.00 0.00 O ATOM 313 CB THR A 23 -8.353 6.829 8.563 1.00 0.00 C ATOM 314 OG1 THR A 23 -8.614 6.353 9.889 1.00 0.00 O ATOM 315 CG2 THR A 23 -8.645 8.320 8.488 1.00 0.00 C ATOM 0 H THR A 23 -10.901 5.448 8.629 1.00 0.00 H new ATOM 0 HA THR A 23 -9.109 6.517 6.567 1.00 0.00 H new ATOM 0 HB THR A 23 -7.303 6.668 8.319 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.112 5.510 9.842 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.028 8.849 9.215 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.419 8.685 7.486 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.698 8.496 8.709 1.00 0.00 H new ATOM 323 N ALA A 24 -7.441 4.447 7.122 1.00 0.00 N ATOM 324 CA ALA A 24 -6.842 3.122 7.019 1.00 0.00 C ATOM 325 C ALA A 24 -5.320 3.206 7.027 1.00 0.00 C ATOM 326 O ALA A 24 -4.733 4.086 6.396 1.00 0.00 O ATOM 327 CB ALA A 24 -7.327 2.420 5.759 1.00 0.00 C ATOM 0 H ALA A 24 -6.806 5.215 6.903 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.153 2.541 7.888 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.872 1.432 5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.412 2.318 5.794 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.045 3.007 4.884 1.00 0.00 H new ATOM 333 N LEU A 25 -4.685 2.286 7.746 1.00 0.00 N ATOM 334 CA LEU A 25 -3.229 2.257 7.837 1.00 0.00 C ATOM 335 C LEU A 25 -2.666 1.022 7.141 1.00 0.00 C ATOM 336 O LEU A 25 -3.138 -0.095 7.356 1.00 0.00 O ATOM 337 CB LEU A 25 -2.790 2.276 9.301 1.00 0.00 C ATOM 338 CG LEU A 25 -1.307 2.008 9.561 1.00 0.00 C ATOM 339 CD1 LEU A 25 -0.510 3.302 9.490 1.00 0.00 C ATOM 340 CD2 LEU A 25 -1.115 1.335 10.912 1.00 0.00 C ATOM 0 H LEU A 25 -5.155 1.551 8.274 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.840 3.143 7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.042 3.249 9.722 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.374 1.533 9.844 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.938 1.335 8.787 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.543 3.092 9.678 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.621 3.744 8.500 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.880 3.999 10.242 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.054 1.152 11.080 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.500 1.983 11.699 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.653 0.387 10.926 1.00 0.00 H new ATOM 352 N LEU A 26 -1.652 1.230 6.308 1.00 0.00 N ATOM 353 CA LEU A 26 -1.021 0.133 5.581 1.00 0.00 C ATOM 354 C LEU A 26 0.422 -0.062 6.035 1.00 0.00 C ATOM 355 O LEU A 26 1.300 0.739 5.712 1.00 0.00 O ATOM 356 CB LEU A 26 -1.062 0.402 4.076 1.00 0.00 C ATOM 357 CG LEU A 26 -2.340 -0.025 3.353 1.00 0.00 C ATOM 358 CD1 LEU A 26 -2.501 0.748 2.053 1.00 0.00 C ATOM 359 CD2 LEU A 26 -2.327 -1.523 3.086 1.00 0.00 C ATOM 0 H LEU A 26 -1.249 2.148 6.119 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.577 -0.780 5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.916 1.470 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.218 -0.109 3.613 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.191 0.202 3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.416 0.431 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.556 1.815 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.646 0.553 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.244 -1.809 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.468 -1.774 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.259 -2.061 4.032 1.00 0.00 H new ATOM 371 N THR A 27 0.661 -1.133 6.786 1.00 0.00 N ATOM 372 CA THR A 27 1.997 -1.435 7.283 1.00 0.00 C ATOM 373 C THR A 27 2.731 -2.388 6.347 1.00 0.00 C ATOM 374 O THR A 27 2.142 -3.334 5.823 1.00 0.00 O ATOM 375 CB THR A 27 1.945 -2.055 8.692 1.00 0.00 C ATOM 376 OG1 THR A 27 1.587 -3.439 8.605 1.00 0.00 O ATOM 377 CG2 THR A 27 0.943 -1.321 9.570 1.00 0.00 C ATOM 0 H THR A 27 -0.054 -1.806 7.063 1.00 0.00 H new ATOM 0 HA THR A 27 2.537 -0.490 7.330 1.00 0.00 H new ATOM 0 HB THR A 27 2.934 -1.963 9.142 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.860 -3.900 9.426 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.924 -1.777 10.560 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.235 -0.274 9.658 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.049 -1.385 9.122 1.00 0.00 H new ATOM 385 N TRP A 28 4.018 -2.134 6.141 1.00 0.00 N ATOM 386 CA TRP A 28 4.832 -2.972 5.268 1.00 0.00 C ATOM 387 C TRP A 28 6.264 -3.065 5.783 1.00 0.00 C ATOM 388 O TRP A 28 6.624 -2.418 6.767 1.00 0.00 O ATOM 389 CB TRP A 28 4.825 -2.416 3.843 1.00 0.00 C ATOM 390 CG TRP A 28 5.612 -1.149 3.695 1.00 0.00 C ATOM 391 CD1 TRP A 28 6.952 -1.040 3.452 1.00 0.00 C ATOM 392 CD2 TRP A 28 5.109 0.188 3.784 1.00 0.00 C ATOM 393 NE1 TRP A 28 7.311 0.284 3.384 1.00 0.00 N ATOM 394 CE2 TRP A 28 6.199 1.058 3.584 1.00 0.00 C ATOM 395 CE3 TRP A 28 3.843 0.736 4.012 1.00 0.00 C ATOM 396 CZ2 TRP A 28 6.059 2.443 3.605 1.00 0.00 C ATOM 397 CZ3 TRP A 28 3.707 2.111 4.033 1.00 0.00 C ATOM 398 CH2 TRP A 28 4.809 2.952 3.830 1.00 0.00 C ATOM 0 H TRP A 28 4.520 -1.355 6.566 1.00 0.00 H new ATOM 0 HA TRP A 28 4.402 -3.974 5.263 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.230 -3.168 3.166 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.795 -2.233 3.537 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.629 -1.872 3.331 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.253 0.634 3.212 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.987 0.096 4.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.907 3.093 3.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.734 2.545 4.209 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.669 4.023 3.852 1.00 0.00 H new ATOM 409 N THR A 29 7.078 -3.875 5.113 1.00 0.00 N ATOM 410 CA THR A 29 8.470 -4.054 5.504 1.00 0.00 C ATOM 411 C THR A 29 9.410 -3.365 4.522 1.00 0.00 C ATOM 412 O THR A 29 9.199 -3.412 3.310 1.00 0.00 O ATOM 413 CB THR A 29 8.842 -5.547 5.592 1.00 0.00 C ATOM 414 OG1 THR A 29 8.042 -6.193 6.589 1.00 0.00 O ATOM 415 CG2 THR A 29 10.315 -5.718 5.927 1.00 0.00 C ATOM 0 H THR A 29 6.796 -4.418 4.296 1.00 0.00 H new ATOM 0 HA THR A 29 8.582 -3.601 6.489 1.00 0.00 H new ATOM 0 HB THR A 29 8.651 -6.005 4.621 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.283 -7.142 6.638 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.554 -6.780 5.984 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.921 -5.250 5.151 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.527 -5.246 6.887 1.00 0.00 H new ATOM 423 N GLU A 30 10.448 -2.727 5.052 1.00 0.00 N ATOM 424 CA GLU A 30 11.420 -2.028 4.220 1.00 0.00 C ATOM 425 C GLU A 30 12.667 -2.881 4.006 1.00 0.00 C ATOM 426 O GLU A 30 13.156 -3.550 4.917 1.00 0.00 O ATOM 427 CB GLU A 30 11.806 -0.692 4.859 1.00 0.00 C ATOM 428 CG GLU A 30 10.908 0.462 4.448 1.00 0.00 C ATOM 429 CD GLU A 30 11.368 1.791 5.015 1.00 0.00 C ATOM 430 OE1 GLU A 30 11.429 1.917 6.256 1.00 0.00 O ATOM 431 OE2 GLU A 30 11.668 2.704 4.217 1.00 0.00 O ATOM 0 H GLU A 30 10.638 -2.680 6.053 1.00 0.00 H new ATOM 0 HA GLU A 30 10.959 -1.839 3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.776 -0.796 5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.835 -0.454 4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.880 0.526 3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.890 0.262 4.782 1.00 0.00 H new ATOM 438 N PRO A 31 13.196 -2.858 2.774 1.00 0.00 N ATOM 439 CA PRO A 31 14.392 -3.624 2.411 1.00 0.00 C ATOM 440 C PRO A 31 15.654 -3.074 3.068 1.00 0.00 C ATOM 441 O PRO A 31 15.660 -1.983 3.640 1.00 0.00 O ATOM 442 CB PRO A 31 14.468 -3.463 0.891 1.00 0.00 C ATOM 443 CG PRO A 31 13.756 -2.186 0.608 1.00 0.00 C ATOM 444 CD PRO A 31 12.667 -2.082 1.639 1.00 0.00 C ATOM 0 HA PRO A 31 14.328 -4.661 2.741 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.502 -3.424 0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.995 -4.302 0.380 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.437 -1.337 0.672 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.341 -2.186 -0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.474 -1.046 1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.727 -2.495 1.273 1.00 0.00 H new ATOM 452 N PRO A 32 16.749 -3.844 2.986 1.00 0.00 N ATOM 453 CA PRO A 32 18.037 -3.453 3.567 1.00 0.00 C ATOM 454 C PRO A 32 18.680 -2.290 2.820 1.00 0.00 C ATOM 455 O PRO A 32 19.679 -1.728 3.269 1.00 0.00 O ATOM 456 CB PRO A 32 18.888 -4.717 3.423 1.00 0.00 C ATOM 457 CG PRO A 32 18.287 -5.450 2.274 1.00 0.00 C ATOM 458 CD PRO A 32 16.814 -5.156 2.320 1.00 0.00 C ATOM 0 HA PRO A 32 17.933 -3.107 4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 32 19.933 -4.471 3.233 1.00 0.00 H new ATOM 0 HB3 PRO A 32 18.862 -5.317 4.332 1.00 0.00 H new ATOM 0 HG2 PRO A 32 18.721 -5.120 1.330 1.00 0.00 H new ATOM 0 HG3 PRO A 32 18.474 -6.521 2.354 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.380 -5.121 1.321 1.00 0.00 H new ATOM 0 HD3 PRO A 32 16.269 -5.918 2.878 1.00 0.00 H new ATOM 466 N VAL A 33 18.101 -1.932 1.679 1.00 0.00 N ATOM 467 CA VAL A 33 18.617 -0.834 0.871 1.00 0.00 C ATOM 468 C VAL A 33 17.631 0.328 0.829 1.00 0.00 C ATOM 469 O VAL A 33 16.870 0.476 -0.128 1.00 0.00 O ATOM 470 CB VAL A 33 18.917 -1.290 -0.570 1.00 0.00 C ATOM 471 CG1 VAL A 33 19.494 -0.142 -1.384 1.00 0.00 C ATOM 472 CG2 VAL A 33 19.865 -2.480 -0.565 1.00 0.00 C ATOM 0 H VAL A 33 17.274 -2.387 1.293 1.00 0.00 H new ATOM 0 HA VAL A 33 19.544 -0.504 1.341 1.00 0.00 H new ATOM 0 HB VAL A 33 17.982 -1.601 -1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.700 -0.483 -2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.777 0.678 -1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.419 0.202 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.066 -2.789 -1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.800 -2.198 -0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.409 -3.306 -0.020 1.00 0.00 H new ATOM 482 N ARG A 34 17.650 1.151 1.872 1.00 0.00 N ATOM 483 CA ARG A 34 16.757 2.300 1.955 1.00 0.00 C ATOM 484 C ARG A 34 16.589 2.959 0.589 1.00 0.00 C ATOM 485 O ARG A 34 17.541 3.471 -0.002 1.00 0.00 O ATOM 486 CB ARG A 34 17.295 3.319 2.962 1.00 0.00 C ATOM 487 CG ARG A 34 16.218 4.204 3.568 1.00 0.00 C ATOM 488 CD ARG A 34 16.819 5.410 4.274 1.00 0.00 C ATOM 489 NE ARG A 34 17.916 5.033 5.161 1.00 0.00 N ATOM 490 CZ ARG A 34 18.625 5.908 5.866 1.00 0.00 C ATOM 491 NH1 ARG A 34 18.352 7.204 5.787 1.00 0.00 N ATOM 492 NH2 ARG A 34 19.608 5.489 6.651 1.00 0.00 N ATOM 0 H ARG A 34 18.274 1.043 2.671 1.00 0.00 H new ATOM 0 HA ARG A 34 15.782 1.947 2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 34 17.810 2.789 3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 34 18.035 3.949 2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.539 4.541 2.785 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.625 3.625 4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 34 17.181 6.122 3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.044 5.916 4.850 1.00 0.00 H new ATOM 0 HE ARG A 34 18.151 4.044 5.244 1.00 0.00 H new ATOM 0 HH11 ARG A 34 17.597 7.530 5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 34 18.897 7.874 6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 34 19.821 4.493 6.714 1.00 0.00 H new ATOM 0 HH22 ARG A 34 20.151 6.162 7.191 1.00 0.00 H new ATOM 506 N PRO A 35 15.351 2.946 0.074 1.00 0.00 N ATOM 507 CA PRO A 35 15.030 3.537 -1.229 1.00 0.00 C ATOM 508 C PRO A 35 15.111 5.059 -1.210 1.00 0.00 C ATOM 509 O PRO A 35 15.182 5.673 -0.146 1.00 0.00 O ATOM 510 CB PRO A 35 13.590 3.082 -1.479 1.00 0.00 C ATOM 511 CG PRO A 35 13.026 2.844 -0.121 1.00 0.00 C ATOM 512 CD PRO A 35 14.170 2.353 0.722 1.00 0.00 C ATOM 0 HA PRO A 35 15.731 3.224 -2.003 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.022 3.842 -2.016 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.561 2.176 -2.084 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.602 3.760 0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.223 2.108 -0.156 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.074 2.678 1.758 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.222 1.264 0.733 1.00 0.00 H new ATOM 520 N ALA A 36 15.101 5.662 -2.394 1.00 0.00 N ATOM 521 CA ALA A 36 15.171 7.113 -2.513 1.00 0.00 C ATOM 522 C ALA A 36 13.839 7.759 -2.147 1.00 0.00 C ATOM 523 O ALA A 36 13.801 8.787 -1.471 1.00 0.00 O ATOM 524 CB ALA A 36 15.581 7.508 -3.924 1.00 0.00 C ATOM 0 H ALA A 36 15.045 5.168 -3.285 1.00 0.00 H new ATOM 0 HA ALA A 36 15.925 7.474 -1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.629 8.594 -3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.560 7.085 -4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.848 7.128 -4.636 1.00 0.00 H new ATOM 530 N GLY A 37 12.747 7.151 -2.599 1.00 0.00 N ATOM 531 CA GLY A 37 11.428 7.682 -2.309 1.00 0.00 C ATOM 532 C GLY A 37 10.338 6.638 -2.453 1.00 0.00 C ATOM 533 O GLY A 37 10.597 5.515 -2.887 1.00 0.00 O ATOM 0 H GLY A 37 12.752 6.300 -3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.415 8.079 -1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.220 8.515 -2.980 1.00 0.00 H new ATOM 537 N TYR A 38 9.116 7.007 -2.085 1.00 0.00 N ATOM 538 CA TYR A 38 7.983 6.092 -2.171 1.00 0.00 C ATOM 539 C TYR A 38 6.770 6.784 -2.785 1.00 0.00 C ATOM 540 O TYR A 38 6.528 7.968 -2.544 1.00 0.00 O ATOM 541 CB TYR A 38 7.630 5.553 -0.784 1.00 0.00 C ATOM 542 CG TYR A 38 8.389 4.299 -0.411 1.00 0.00 C ATOM 543 CD1 TYR A 38 8.228 3.124 -1.134 1.00 0.00 C ATOM 544 CD2 TYR A 38 9.267 4.291 0.666 1.00 0.00 C ATOM 545 CE1 TYR A 38 8.918 1.977 -0.796 1.00 0.00 C ATOM 546 CE2 TYR A 38 9.963 3.148 1.011 1.00 0.00 C ATOM 547 CZ TYR A 38 9.785 1.994 0.277 1.00 0.00 C ATOM 548 OH TYR A 38 10.476 0.853 0.617 1.00 0.00 O ATOM 0 H TYR A 38 8.884 7.933 -1.724 1.00 0.00 H new ATOM 0 HA TYR A 38 8.268 5.260 -2.815 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.832 6.325 -0.041 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.561 5.346 -0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.551 3.107 -1.975 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.408 5.193 1.243 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.780 1.072 -1.368 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.642 3.158 1.851 1.00 0.00 H new ATOM 0 HH TYR A 38 10.635 0.315 -0.187 1.00 0.00 H new ATOM 558 N LEU A 39 6.010 6.037 -3.578 1.00 0.00 N ATOM 559 CA LEU A 39 4.819 6.577 -4.226 1.00 0.00 C ATOM 560 C LEU A 39 3.602 5.701 -3.946 1.00 0.00 C ATOM 561 O LEU A 39 3.355 4.720 -4.650 1.00 0.00 O ATOM 562 CB LEU A 39 5.044 6.690 -5.735 1.00 0.00 C ATOM 563 CG LEU A 39 3.946 7.403 -6.525 1.00 0.00 C ATOM 564 CD1 LEU A 39 4.213 8.899 -6.580 1.00 0.00 C ATOM 565 CD2 LEU A 39 3.840 6.826 -7.929 1.00 0.00 C ATOM 0 H LEU A 39 6.197 5.056 -3.788 1.00 0.00 H new ATOM 0 HA LEU A 39 4.630 7.570 -3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.984 7.215 -5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.162 5.685 -6.141 1.00 0.00 H new ATOM 0 HG LEU A 39 2.996 7.244 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.421 9.389 -7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.238 9.302 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.172 9.080 -7.066 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.054 7.345 -8.477 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.790 6.955 -8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.600 5.764 -7.869 1.00 0.00 H new ATOM 577 N LEU A 40 2.845 6.062 -2.917 1.00 0.00 N ATOM 578 CA LEU A 40 1.651 5.310 -2.545 1.00 0.00 C ATOM 579 C LEU A 40 0.444 5.768 -3.357 1.00 0.00 C ATOM 580 O LEU A 40 -0.038 6.888 -3.194 1.00 0.00 O ATOM 581 CB LEU A 40 1.366 5.474 -1.051 1.00 0.00 C ATOM 582 CG LEU A 40 0.212 4.641 -0.492 1.00 0.00 C ATOM 583 CD1 LEU A 40 0.666 3.217 -0.215 1.00 0.00 C ATOM 584 CD2 LEU A 40 -0.345 5.281 0.771 1.00 0.00 C ATOM 0 H LEU A 40 3.036 6.870 -2.325 1.00 0.00 H new ATOM 0 HA LEU A 40 1.833 4.257 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.271 5.221 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.157 6.526 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.581 4.608 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.169 2.640 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.015 2.760 -1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.478 3.229 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.165 4.675 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.441 5.346 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.710 6.282 0.541 1.00 0.00 H new ATOM 596 N SER A 41 -0.041 4.892 -4.232 1.00 0.00 N ATOM 597 CA SER A 41 -1.191 5.207 -5.072 1.00 0.00 C ATOM 598 C SER A 41 -2.390 4.341 -4.697 1.00 0.00 C ATOM 599 O SER A 41 -2.318 3.113 -4.729 1.00 0.00 O ATOM 600 CB SER A 41 -0.842 5.004 -6.547 1.00 0.00 C ATOM 601 OG SER A 41 -0.085 6.092 -7.047 1.00 0.00 O ATOM 0 H SER A 41 0.345 3.959 -4.377 1.00 0.00 H new ATOM 0 HA SER A 41 -1.454 6.252 -4.909 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.278 4.079 -6.666 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.757 4.896 -7.129 1.00 0.00 H new ATOM 0 HG SER A 41 -0.116 6.090 -8.026 1.00 0.00 H new ATOM 607 N PHE A 42 -3.493 4.992 -4.340 1.00 0.00 N ATOM 608 CA PHE A 42 -4.708 4.283 -3.958 1.00 0.00 C ATOM 609 C PHE A 42 -5.904 4.779 -4.766 1.00 0.00 C ATOM 610 O PHE A 42 -6.237 5.964 -4.740 1.00 0.00 O ATOM 611 CB PHE A 42 -4.980 4.463 -2.463 1.00 0.00 C ATOM 612 CG PHE A 42 -5.574 5.799 -2.118 1.00 0.00 C ATOM 613 CD1 PHE A 42 -4.844 6.963 -2.296 1.00 0.00 C ATOM 614 CD2 PHE A 42 -6.862 5.890 -1.616 1.00 0.00 C ATOM 615 CE1 PHE A 42 -5.389 8.193 -1.978 1.00 0.00 C ATOM 616 CE2 PHE A 42 -7.412 7.117 -1.297 1.00 0.00 C ATOM 617 CZ PHE A 42 -6.674 8.271 -1.479 1.00 0.00 C ATOM 0 H PHE A 42 -3.570 6.009 -4.308 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.562 3.224 -4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.656 3.676 -2.128 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.047 4.337 -1.914 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.839 6.909 -2.687 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.443 4.991 -1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.809 9.093 -2.120 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.417 7.174 -0.906 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.101 9.232 -1.232 1.00 0.00 H new ATOM 627 N HIS A 43 -6.545 3.862 -5.484 1.00 0.00 N ATOM 628 CA HIS A 43 -7.704 4.205 -6.301 1.00 0.00 C ATOM 629 C HIS A 43 -8.910 3.351 -5.919 1.00 0.00 C ATOM 630 O HIS A 43 -8.762 2.265 -5.358 1.00 0.00 O ATOM 631 CB HIS A 43 -7.382 4.019 -7.784 1.00 0.00 C ATOM 632 CG HIS A 43 -7.626 2.627 -8.280 1.00 0.00 C ATOM 633 ND1 HIS A 43 -7.245 1.501 -7.581 1.00 0.00 N ATOM 634 CD2 HIS A 43 -8.218 2.182 -9.413 1.00 0.00 C ATOM 635 CE1 HIS A 43 -7.590 0.424 -8.263 1.00 0.00 C ATOM 636 NE2 HIS A 43 -8.183 0.810 -9.379 1.00 0.00 N ATOM 0 H HIS A 43 -6.282 2.877 -5.517 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.949 5.251 -6.119 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.984 4.715 -8.368 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.338 4.279 -7.956 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.639 2.793 -10.198 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.417 -0.598 -7.960 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -8.554 0.189 -10.098 1.00 0.00 H new ATOM 645 N THR A 44 -10.103 3.850 -6.226 1.00 0.00 N ATOM 646 CA THR A 44 -11.334 3.134 -5.914 1.00 0.00 C ATOM 647 C THR A 44 -11.942 2.513 -7.166 1.00 0.00 C ATOM 648 O THR A 44 -11.888 3.080 -8.258 1.00 0.00 O ATOM 649 CB THR A 44 -12.373 4.064 -5.259 1.00 0.00 C ATOM 650 OG1 THR A 44 -13.697 3.603 -5.553 1.00 0.00 O ATOM 651 CG2 THR A 44 -12.207 5.493 -5.752 1.00 0.00 C ATOM 0 H THR A 44 -10.243 4.747 -6.690 1.00 0.00 H new ATOM 0 HA THR A 44 -11.071 2.343 -5.212 1.00 0.00 H new ATOM 0 HB THR A 44 -12.214 4.048 -4.181 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.352 4.198 -5.132 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.951 6.131 -5.276 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.208 5.851 -5.501 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.342 5.523 -6.833 1.00 0.00 H new ATOM 659 N PRO A 45 -12.536 1.321 -7.008 1.00 0.00 N ATOM 660 CA PRO A 45 -13.167 0.598 -8.116 1.00 0.00 C ATOM 661 C PRO A 45 -14.442 1.278 -8.600 1.00 0.00 C ATOM 662 O PRO A 45 -15.084 0.817 -9.543 1.00 0.00 O ATOM 663 CB PRO A 45 -13.488 -0.770 -7.509 1.00 0.00 C ATOM 664 CG PRO A 45 -13.609 -0.517 -6.046 1.00 0.00 C ATOM 665 CD PRO A 45 -12.637 0.587 -5.735 1.00 0.00 C ATOM 0 HA PRO A 45 -12.521 0.550 -8.992 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.413 -1.177 -7.918 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.700 -1.492 -7.722 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.626 -0.227 -5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.376 -1.415 -5.474 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.999 1.226 -4.930 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.670 0.194 -5.420 1.00 0.00 H new ATOM 704 N THR A 49 -8.631 7.975 -9.472 1.00 0.00 N ATOM 705 CA THR A 49 -7.365 7.570 -8.875 1.00 0.00 C ATOM 706 C THR A 49 -6.611 8.771 -8.316 1.00 0.00 C ATOM 707 O THR A 49 -6.649 9.860 -8.889 1.00 0.00 O ATOM 708 CB THR A 49 -6.469 6.846 -9.897 1.00 0.00 C ATOM 709 OG1 THR A 49 -7.034 5.573 -10.229 1.00 0.00 O ATOM 710 CG2 THR A 49 -5.064 6.655 -9.345 1.00 0.00 C ATOM 0 HA THR A 49 -7.604 6.885 -8.062 1.00 0.00 H new ATOM 0 HB THR A 49 -6.409 7.461 -10.795 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.459 5.120 -10.880 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.449 6.142 -10.084 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.626 7.628 -9.121 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.109 6.059 -8.434 1.00 0.00 H new ATOM 718 N GLN A 50 -5.928 8.566 -7.195 1.00 0.00 N ATOM 719 CA GLN A 50 -5.165 9.633 -6.559 1.00 0.00 C ATOM 720 C GLN A 50 -3.773 9.149 -6.167 1.00 0.00 C ATOM 721 O GLN A 50 -3.589 7.987 -5.806 1.00 0.00 O ATOM 722 CB GLN A 50 -5.904 10.151 -5.324 1.00 0.00 C ATOM 723 CG GLN A 50 -5.230 11.344 -4.667 1.00 0.00 C ATOM 724 CD GLN A 50 -6.177 12.142 -3.792 1.00 0.00 C ATOM 725 OE1 GLN A 50 -6.394 13.333 -4.016 1.00 0.00 O ATOM 726 NE2 GLN A 50 -6.747 11.487 -2.787 1.00 0.00 N ATOM 0 H GLN A 50 -5.887 7.671 -6.708 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.058 10.446 -7.277 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.919 10.429 -5.608 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.987 9.344 -4.596 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.391 10.996 -4.064 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.819 11.995 -5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.538 10.500 -2.638 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.393 11.971 -2.164 1.00 0.00 H new ATOM 735 N GLU A 51 -2.796 10.048 -6.242 1.00 0.00 N ATOM 736 CA GLU A 51 -1.421 9.710 -5.896 1.00 0.00 C ATOM 737 C GLU A 51 -0.972 10.467 -4.649 1.00 0.00 C ATOM 738 O GLU A 51 -1.531 11.510 -4.309 1.00 0.00 O ATOM 739 CB GLU A 51 -0.485 10.028 -7.064 1.00 0.00 C ATOM 740 CG GLU A 51 -0.520 8.990 -8.172 1.00 0.00 C ATOM 741 CD GLU A 51 -0.066 9.547 -9.508 1.00 0.00 C ATOM 742 OE1 GLU A 51 -0.729 10.474 -10.019 1.00 0.00 O ATOM 743 OE2 GLU A 51 0.950 9.056 -10.042 1.00 0.00 O ATOM 0 H GLU A 51 -2.932 11.014 -6.539 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.378 8.641 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.753 10.999 -7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.535 10.112 -6.689 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.117 8.149 -7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.534 8.602 -8.270 1.00 0.00 H new ATOM 750 N ILE A 52 0.041 9.934 -3.973 1.00 0.00 N ATOM 751 CA ILE A 52 0.565 10.559 -2.765 1.00 0.00 C ATOM 752 C ILE A 52 2.069 10.341 -2.642 1.00 0.00 C ATOM 753 O ILE A 52 2.562 9.226 -2.821 1.00 0.00 O ATOM 754 CB ILE A 52 -0.128 10.013 -1.503 1.00 0.00 C ATOM 755 CG1 ILE A 52 -1.647 10.134 -1.635 1.00 0.00 C ATOM 756 CG2 ILE A 52 0.362 10.754 -0.267 1.00 0.00 C ATOM 757 CD1 ILE A 52 -2.407 9.455 -0.518 1.00 0.00 C ATOM 0 H ILE A 52 0.515 9.071 -4.241 1.00 0.00 H new ATOM 0 HA ILE A 52 0.361 11.627 -2.847 1.00 0.00 H new ATOM 0 HB ILE A 52 0.125 8.958 -1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.918 11.189 -1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.956 9.704 -2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.137 10.357 0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.439 10.621 -0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.135 11.816 -0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.478 9.582 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.165 8.392 -0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.127 9.901 0.436 1.00 0.00 H new ATOM 769 N LEU A 53 2.793 11.410 -2.332 1.00 0.00 N ATOM 770 CA LEU A 53 4.242 11.336 -2.182 1.00 0.00 C ATOM 771 C LEU A 53 4.622 10.923 -0.763 1.00 0.00 C ATOM 772 O LEU A 53 4.082 11.445 0.213 1.00 0.00 O ATOM 773 CB LEU A 53 4.880 12.684 -2.520 1.00 0.00 C ATOM 774 CG LEU A 53 5.218 12.916 -3.994 1.00 0.00 C ATOM 775 CD1 LEU A 53 6.358 12.009 -4.429 1.00 0.00 C ATOM 776 CD2 LEU A 53 3.991 12.688 -4.864 1.00 0.00 C ATOM 0 H LEU A 53 2.400 12.339 -2.179 1.00 0.00 H new ATOM 0 HA LEU A 53 4.615 10.581 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.205 13.475 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.796 12.786 -1.937 1.00 0.00 H new ATOM 0 HG LEU A 53 5.538 13.951 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.585 12.188 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.241 12.220 -3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.067 10.968 -4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.250 12.857 -5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.641 11.663 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.202 13.380 -4.569 1.00 0.00 H new ATOM 788 N LEU A 54 5.556 9.984 -0.656 1.00 0.00 N ATOM 789 CA LEU A 54 6.010 9.502 0.644 1.00 0.00 C ATOM 790 C LEU A 54 7.350 10.127 1.018 1.00 0.00 C ATOM 791 O LEU A 54 8.164 10.470 0.160 1.00 0.00 O ATOM 792 CB LEU A 54 6.132 7.977 0.630 1.00 0.00 C ATOM 793 CG LEU A 54 4.869 7.199 1.002 1.00 0.00 C ATOM 794 CD1 LEU A 54 4.775 7.023 2.510 1.00 0.00 C ATOM 795 CD2 LEU A 54 3.631 7.906 0.468 1.00 0.00 C ATOM 0 H LEU A 54 6.013 9.542 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 54 5.272 9.795 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.445 7.667 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.927 7.690 1.318 1.00 0.00 H new ATOM 0 HG LEU A 54 4.926 6.211 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.870 6.467 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.646 6.474 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.741 8.001 2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.741 7.339 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.570 8.906 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.694 7.980 -0.618 1.00 0.00 H new ATOM 807 N PRO A 55 7.588 10.277 2.330 1.00 0.00 N ATOM 808 CA PRO A 55 8.830 10.858 2.848 1.00 0.00 C ATOM 809 C PRO A 55 10.031 9.944 2.635 1.00 0.00 C ATOM 810 O PRO A 55 11.169 10.405 2.563 1.00 0.00 O ATOM 811 CB PRO A 55 8.545 11.029 4.342 1.00 0.00 C ATOM 812 CG PRO A 55 7.504 10.008 4.648 1.00 0.00 C ATOM 813 CD PRO A 55 6.662 9.890 3.408 1.00 0.00 C ATOM 0 HA PRO A 55 9.088 11.787 2.340 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.444 10.869 4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.190 12.035 4.565 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.959 9.051 4.903 1.00 0.00 H new ATOM 0 HG3 PRO A 55 6.899 10.311 5.503 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.288 8.876 3.271 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.794 10.548 3.448 1.00 0.00 H new ATOM 821 N GLY A 56 9.769 8.644 2.535 1.00 0.00 N ATOM 822 CA GLY A 56 10.840 7.686 2.331 1.00 0.00 C ATOM 823 C GLY A 56 11.572 7.352 3.615 1.00 0.00 C ATOM 824 O GLY A 56 12.431 8.111 4.063 1.00 0.00 O ATOM 0 H GLY A 56 8.835 8.238 2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.429 6.772 1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.549 8.087 1.606 1.00 0.00 H new ATOM 828 N GLY A 57 11.231 6.214 4.211 1.00 0.00 N ATOM 829 CA GLY A 57 11.870 5.803 5.448 1.00 0.00 C ATOM 830 C GLY A 57 10.868 5.461 6.533 1.00 0.00 C ATOM 831 O GLY A 57 11.064 5.807 7.698 1.00 0.00 O ATOM 0 H GLY A 57 10.523 5.569 3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.503 4.936 5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.522 6.602 5.799 1.00 0.00 H new ATOM 835 N ILE A 58 9.792 4.782 6.150 1.00 0.00 N ATOM 836 CA ILE A 58 8.756 4.395 7.099 1.00 0.00 C ATOM 837 C ILE A 58 8.220 3.001 6.789 1.00 0.00 C ATOM 838 O ILE A 58 8.472 2.451 5.716 1.00 0.00 O ATOM 839 CB ILE A 58 7.586 5.396 7.095 1.00 0.00 C ATOM 840 CG1 ILE A 58 6.622 5.082 5.950 1.00 0.00 C ATOM 841 CG2 ILE A 58 8.108 6.820 6.981 1.00 0.00 C ATOM 842 CD1 ILE A 58 5.486 6.074 5.827 1.00 0.00 C ATOM 0 H ILE A 58 9.615 4.489 5.189 1.00 0.00 H new ATOM 0 HA ILE A 58 9.217 4.393 8.087 1.00 0.00 H new ATOM 0 HB ILE A 58 7.044 5.303 8.036 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.178 5.061 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.208 4.084 6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.269 7.516 6.979 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.759 7.038 7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.671 6.928 6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.843 5.789 4.995 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.905 6.079 6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.891 7.070 5.648 1.00 0.00 H new ATOM 854 N THR A 59 7.476 2.435 7.734 1.00 0.00 N ATOM 855 CA THR A 59 6.902 1.107 7.562 1.00 0.00 C ATOM 856 C THR A 59 5.385 1.140 7.705 1.00 0.00 C ATOM 857 O THR A 59 4.717 0.115 7.571 1.00 0.00 O ATOM 858 CB THR A 59 7.481 0.108 8.583 1.00 0.00 C ATOM 859 OG1 THR A 59 7.428 0.668 9.900 1.00 0.00 O ATOM 860 CG2 THR A 59 8.918 -0.248 8.235 1.00 0.00 C ATOM 0 H THR A 59 7.257 2.876 8.627 1.00 0.00 H new ATOM 0 HA THR A 59 7.162 0.779 6.556 1.00 0.00 H new ATOM 0 HB THR A 59 6.880 -0.801 8.551 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.796 0.027 10.543 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.306 -0.954 8.969 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.951 -0.700 7.244 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.529 0.655 8.242 1.00 0.00 H new ATOM 868 N SER A 60 4.847 2.324 7.978 1.00 0.00 N ATOM 869 CA SER A 60 3.407 2.490 8.143 1.00 0.00 C ATOM 870 C SER A 60 2.983 3.916 7.804 1.00 0.00 C ATOM 871 O SER A 60 3.520 4.882 8.347 1.00 0.00 O ATOM 872 CB SER A 60 2.994 2.150 9.576 1.00 0.00 C ATOM 873 OG SER A 60 3.944 2.634 10.509 1.00 0.00 O ATOM 0 H SER A 60 5.386 3.183 8.090 1.00 0.00 H new ATOM 0 HA SER A 60 2.906 1.807 7.457 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.017 2.584 9.789 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.893 1.070 9.682 1.00 0.00 H new ATOM 0 HG SER A 60 3.656 2.405 11.417 1.00 0.00 H new ATOM 879 N HIS A 61 2.014 4.040 6.902 1.00 0.00 N ATOM 880 CA HIS A 61 1.516 5.347 6.490 1.00 0.00 C ATOM 881 C HIS A 61 0.013 5.457 6.733 1.00 0.00 C ATOM 882 O HIS A 61 -0.744 4.541 6.415 1.00 0.00 O ATOM 883 CB HIS A 61 1.824 5.592 5.013 1.00 0.00 C ATOM 884 CG HIS A 61 1.989 7.040 4.667 1.00 0.00 C ATOM 885 ND1 HIS A 61 1.267 7.663 3.671 1.00 0.00 N ATOM 886 CD2 HIS A 61 2.799 7.988 5.192 1.00 0.00 C ATOM 887 CE1 HIS A 61 1.627 8.932 3.598 1.00 0.00 C ATOM 888 NE2 HIS A 61 2.555 9.155 4.510 1.00 0.00 N ATOM 0 H HIS A 61 1.559 3.251 6.443 1.00 0.00 H new ATOM 0 HA HIS A 61 2.020 6.105 7.089 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.736 5.057 4.747 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.020 5.172 4.408 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.506 7.852 5.997 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.230 9.663 2.909 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.016 10.049 4.681 1.00 0.00 H new ATOM 897 N GLN A 62 -0.409 6.583 7.299 1.00 0.00 N ATOM 898 CA GLN A 62 -1.820 6.811 7.586 1.00 0.00 C ATOM 899 C GLN A 62 -2.520 7.455 6.394 1.00 0.00 C ATOM 900 O GLN A 62 -2.131 8.531 5.939 1.00 0.00 O ATOM 901 CB GLN A 62 -1.974 7.697 8.823 1.00 0.00 C ATOM 902 CG GLN A 62 -3.416 7.870 9.272 1.00 0.00 C ATOM 903 CD GLN A 62 -4.049 6.566 9.716 1.00 0.00 C ATOM 904 OE1 GLN A 62 -3.650 5.979 10.722 1.00 0.00 O ATOM 905 NE2 GLN A 62 -5.044 6.105 8.966 1.00 0.00 N ATOM 0 H GLN A 62 0.206 7.351 7.568 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.286 5.845 7.780 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.396 7.267 9.642 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.548 8.678 8.612 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.454 8.586 10.093 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.999 8.293 8.454 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.343 6.624 8.140 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.509 5.232 9.216 1.00 0.00 H new ATOM 914 N LEU A 63 -3.556 6.791 5.893 1.00 0.00 N ATOM 915 CA LEU A 63 -4.312 7.298 4.753 1.00 0.00 C ATOM 916 C LEU A 63 -5.494 8.143 5.217 1.00 0.00 C ATOM 917 O LEU A 63 -6.169 7.806 6.190 1.00 0.00 O ATOM 918 CB LEU A 63 -4.807 6.139 3.888 1.00 0.00 C ATOM 919 CG LEU A 63 -3.742 5.411 3.066 1.00 0.00 C ATOM 920 CD1 LEU A 63 -4.269 4.072 2.575 1.00 0.00 C ATOM 921 CD2 LEU A 63 -3.293 6.272 1.894 1.00 0.00 C ATOM 0 H LEU A 63 -3.892 5.900 6.258 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.649 7.928 4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.297 5.412 4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.566 6.520 3.205 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.880 5.225 3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.497 3.569 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.540 3.452 3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.148 4.234 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.535 5.739 1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.148 6.489 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.874 7.206 2.268 1.00 0.00 H new ATOM 933 N LEU A 64 -5.741 9.242 4.512 1.00 0.00 N ATOM 934 CA LEU A 64 -6.844 10.136 4.849 1.00 0.00 C ATOM 935 C LEU A 64 -7.794 10.298 3.667 1.00 0.00 C ATOM 936 O LEU A 64 -7.374 10.263 2.511 1.00 0.00 O ATOM 937 CB LEU A 64 -6.306 11.502 5.278 1.00 0.00 C ATOM 938 CG LEU A 64 -5.063 11.486 6.169 1.00 0.00 C ATOM 939 CD1 LEU A 64 -4.491 12.887 6.312 1.00 0.00 C ATOM 940 CD2 LEU A 64 -5.393 10.900 7.534 1.00 0.00 C ATOM 0 H LEU A 64 -5.193 9.535 3.704 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.398 9.694 5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.078 12.078 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.099 12.033 5.805 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.309 10.855 5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.607 12.856 6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.216 13.270 5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.239 13.541 6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.497 10.896 8.155 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.164 11.504 8.013 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.755 9.879 7.414 1.00 0.00 H new ATOM 952 N GLY A 65 -9.077 10.478 3.966 1.00 0.00 N ATOM 953 CA GLY A 65 -10.066 10.645 2.918 1.00 0.00 C ATOM 954 C GLY A 65 -10.471 9.327 2.287 1.00 0.00 C ATOM 955 O GLY A 65 -10.076 9.021 1.162 1.00 0.00 O ATOM 0 H GLY A 65 -9.449 10.511 4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.949 11.133 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.667 11.305 2.148 1.00 0.00 H new ATOM 959 N LEU A 66 -11.261 8.544 3.014 1.00 0.00 N ATOM 960 CA LEU A 66 -11.719 7.250 2.519 1.00 0.00 C ATOM 961 C LEU A 66 -13.239 7.145 2.594 1.00 0.00 C ATOM 962 O LEU A 66 -13.903 8.008 3.168 1.00 0.00 O ATOM 963 CB LEU A 66 -11.078 6.118 3.325 1.00 0.00 C ATOM 964 CG LEU A 66 -9.559 6.184 3.484 1.00 0.00 C ATOM 965 CD1 LEU A 66 -9.066 5.056 4.377 1.00 0.00 C ATOM 966 CD2 LEU A 66 -8.878 6.127 2.124 1.00 0.00 C ATOM 0 H LEU A 66 -11.597 8.782 3.947 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.418 7.161 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.527 6.107 4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.333 5.171 2.849 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.303 7.132 3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.983 5.119 4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.528 5.142 5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.333 4.097 3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.797 6.175 2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.141 5.195 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.207 6.970 1.517 1.00 0.00 H new ATOM 978 N PHE A 67 -13.783 6.082 2.011 1.00 0.00 N ATOM 979 CA PHE A 67 -15.225 5.864 2.013 1.00 0.00 C ATOM 980 C PHE A 67 -15.592 4.662 2.878 1.00 0.00 C ATOM 981 O PHE A 67 -14.847 3.687 2.980 1.00 0.00 O ATOM 982 CB PHE A 67 -15.731 5.652 0.585 1.00 0.00 C ATOM 983 CG PHE A 67 -15.606 6.872 -0.283 1.00 0.00 C ATOM 984 CD1 PHE A 67 -15.952 8.123 0.204 1.00 0.00 C ATOM 985 CD2 PHE A 67 -15.143 6.769 -1.584 1.00 0.00 C ATOM 986 CE1 PHE A 67 -15.839 9.247 -0.592 1.00 0.00 C ATOM 987 CE2 PHE A 67 -15.028 7.889 -2.385 1.00 0.00 C ATOM 988 CZ PHE A 67 -15.375 9.130 -1.888 1.00 0.00 C ATOM 0 H PHE A 67 -13.248 5.358 1.531 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.701 6.750 2.433 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.175 4.833 0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -16.777 5.347 0.620 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.314 8.220 1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -14.868 5.801 -1.977 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -16.113 10.216 -0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -14.667 7.794 -3.399 1.00 0.00 H new ATOM 0 HZ PHE A 67 -15.284 10.007 -2.511 1.00 0.00 H new ATOM 998 N PRO A 68 -16.769 4.731 3.518 1.00 0.00 N ATOM 999 CA PRO A 68 -17.263 3.658 4.386 1.00 0.00 C ATOM 1000 C PRO A 68 -17.652 2.410 3.601 1.00 0.00 C ATOM 1001 O PRO A 68 -18.529 2.457 2.738 1.00 0.00 O ATOM 1002 CB PRO A 68 -18.494 4.278 5.051 1.00 0.00 C ATOM 1003 CG PRO A 68 -18.952 5.327 4.097 1.00 0.00 C ATOM 1004 CD PRO A 68 -17.708 5.863 3.443 1.00 0.00 C ATOM 0 HA PRO A 68 -16.504 3.323 5.093 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -19.270 3.532 5.221 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -18.246 4.707 6.022 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -19.634 4.910 3.356 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -19.492 6.119 4.617 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -17.894 6.164 2.412 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.324 6.739 3.966 1.00 0.00 H new ATOM 1012 N SER A 69 -16.995 1.296 3.906 1.00 0.00 N ATOM 1013 CA SER A 69 -17.271 0.036 3.226 1.00 0.00 C ATOM 1014 C SER A 69 -16.915 0.128 1.745 1.00 0.00 C ATOM 1015 O SER A 69 -17.620 -0.408 0.890 1.00 0.00 O ATOM 1016 CB SER A 69 -18.745 -0.343 3.385 1.00 0.00 C ATOM 1017 OG SER A 69 -18.995 -1.642 2.879 1.00 0.00 O ATOM 0 H SER A 69 -16.268 1.240 4.619 1.00 0.00 H new ATOM 0 HA SER A 69 -16.653 -0.737 3.683 1.00 0.00 H new ATOM 0 HB2 SER A 69 -19.023 -0.300 4.438 1.00 0.00 H new ATOM 0 HB3 SER A 69 -19.368 0.381 2.861 1.00 0.00 H new ATOM 0 HG SER A 69 -18.532 -1.754 2.023 1.00 0.00 H new ATOM 1023 N THR A 70 -15.814 0.813 1.449 1.00 0.00 N ATOM 1024 CA THR A 70 -15.364 0.978 0.073 1.00 0.00 C ATOM 1025 C THR A 70 -14.004 0.323 -0.143 1.00 0.00 C ATOM 1026 O THR A 70 -13.017 0.698 0.489 1.00 0.00 O ATOM 1027 CB THR A 70 -15.271 2.466 -0.313 1.00 0.00 C ATOM 1028 OG1 THR A 70 -16.558 3.083 -0.199 1.00 0.00 O ATOM 1029 CG2 THR A 70 -14.752 2.625 -1.734 1.00 0.00 C ATOM 0 H THR A 70 -15.218 1.262 2.144 1.00 0.00 H new ATOM 0 HA THR A 70 -16.104 0.491 -0.562 1.00 0.00 H new ATOM 0 HB THR A 70 -14.573 2.952 0.369 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.758 3.577 -1.022 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.695 3.684 -1.984 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.760 2.180 -1.811 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.429 2.125 -2.427 1.00 0.00 H new ATOM 1037 N SER A 71 -13.960 -0.657 -1.039 1.00 0.00 N ATOM 1038 CA SER A 71 -12.721 -1.367 -1.336 1.00 0.00 C ATOM 1039 C SER A 71 -11.713 -0.441 -2.008 1.00 0.00 C ATOM 1040 O SER A 71 -12.063 0.338 -2.895 1.00 0.00 O ATOM 1041 CB SER A 71 -13.002 -2.573 -2.235 1.00 0.00 C ATOM 1042 OG SER A 71 -11.797 -3.201 -2.636 1.00 0.00 O ATOM 0 H SER A 71 -14.768 -0.978 -1.572 1.00 0.00 H new ATOM 0 HA SER A 71 -12.296 -1.716 -0.395 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.629 -3.289 -1.704 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.559 -2.253 -3.115 1.00 0.00 H new ATOM 0 HG SER A 71 -12.003 -3.970 -3.208 1.00 0.00 H new ATOM 1048 N TYR A 72 -10.459 -0.531 -1.580 1.00 0.00 N ATOM 1049 CA TYR A 72 -9.398 0.300 -2.138 1.00 0.00 C ATOM 1050 C TYR A 72 -8.189 -0.547 -2.524 1.00 0.00 C ATOM 1051 O TYR A 72 -7.936 -1.594 -1.931 1.00 0.00 O ATOM 1052 CB TYR A 72 -8.982 1.374 -1.132 1.00 0.00 C ATOM 1053 CG TYR A 72 -9.937 2.545 -1.067 1.00 0.00 C ATOM 1054 CD1 TYR A 72 -9.911 3.543 -2.032 1.00 0.00 C ATOM 1055 CD2 TYR A 72 -10.866 2.651 -0.039 1.00 0.00 C ATOM 1056 CE1 TYR A 72 -10.781 4.615 -1.975 1.00 0.00 C ATOM 1057 CE2 TYR A 72 -11.741 3.718 0.025 1.00 0.00 C ATOM 1058 CZ TYR A 72 -11.694 4.697 -0.945 1.00 0.00 C ATOM 1059 OH TYR A 72 -12.564 5.762 -0.886 1.00 0.00 O ATOM 0 H TYR A 72 -10.152 -1.171 -0.848 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.783 0.782 -3.037 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.905 0.923 -0.143 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.989 1.740 -1.393 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.198 3.480 -2.841 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.905 1.886 0.723 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.746 5.384 -2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.458 3.785 0.830 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.464 5.464 -1.135 1.00 0.00 H new ATOM 1069 N ASN A 73 -7.446 -0.084 -3.524 1.00 0.00 N ATOM 1070 CA ASN A 73 -6.263 -0.797 -3.991 1.00 0.00 C ATOM 1071 C ASN A 73 -5.007 0.047 -3.797 1.00 0.00 C ATOM 1072 O ASN A 73 -4.773 1.008 -4.529 1.00 0.00 O ATOM 1073 CB ASN A 73 -6.417 -1.170 -5.467 1.00 0.00 C ATOM 1074 CG ASN A 73 -5.593 -2.386 -5.845 1.00 0.00 C ATOM 1075 OD1 ASN A 73 -5.263 -3.215 -4.996 1.00 0.00 O ATOM 1076 ND2 ASN A 73 -5.256 -2.498 -7.125 1.00 0.00 N ATOM 0 H ASN A 73 -7.642 0.782 -4.026 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.162 -1.708 -3.401 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.468 -1.365 -5.682 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.117 -0.324 -6.086 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.702 -3.295 -7.439 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.551 -1.787 -7.794 1.00 0.00 H new ATOM 1083 N ALA A 74 -4.201 -0.321 -2.806 1.00 0.00 N ATOM 1084 CA ALA A 74 -2.968 0.400 -2.517 1.00 0.00 C ATOM 1085 C ALA A 74 -1.794 -0.188 -3.292 1.00 0.00 C ATOM 1086 O ALA A 74 -1.760 -1.387 -3.572 1.00 0.00 O ATOM 1087 CB ALA A 74 -2.681 0.377 -1.023 1.00 0.00 C ATOM 0 H ALA A 74 -4.380 -1.114 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.098 1.434 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.757 0.919 -0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.504 0.850 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.576 -0.655 -0.688 1.00 0.00 H new ATOM 1093 N ARG A 75 -0.832 0.663 -3.637 1.00 0.00 N ATOM 1094 CA ARG A 75 0.343 0.227 -4.381 1.00 0.00 C ATOM 1095 C ARG A 75 1.587 0.985 -3.927 1.00 0.00 C ATOM 1096 O ARG A 75 1.691 2.198 -4.115 1.00 0.00 O ATOM 1097 CB ARG A 75 0.127 0.432 -5.882 1.00 0.00 C ATOM 1098 CG ARG A 75 1.198 -0.213 -6.745 1.00 0.00 C ATOM 1099 CD ARG A 75 1.373 0.526 -8.062 1.00 0.00 C ATOM 1100 NE ARG A 75 0.183 0.433 -8.904 1.00 0.00 N ATOM 1101 CZ ARG A 75 0.188 0.667 -10.212 1.00 0.00 C ATOM 1102 NH1 ARG A 75 1.314 1.005 -10.824 1.00 0.00 N ATOM 1103 NH2 ARG A 75 -0.936 0.562 -10.910 1.00 0.00 N ATOM 0 H ARG A 75 -0.844 1.658 -3.413 1.00 0.00 H new ATOM 0 HA ARG A 75 0.494 -0.834 -4.184 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.845 0.025 -6.159 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.097 1.501 -6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.144 -0.224 -6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.931 -1.251 -6.942 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.595 1.574 -7.863 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.229 0.115 -8.597 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.700 0.174 -8.464 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.180 1.086 -10.291 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.315 1.184 -11.828 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.804 0.302 -10.442 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.932 0.742 -11.914 1.00 0.00 H new ATOM 1117 N LEU A 76 2.527 0.263 -3.328 1.00 0.00 N ATOM 1118 CA LEU A 76 3.764 0.867 -2.845 1.00 0.00 C ATOM 1119 C LEU A 76 4.899 0.654 -3.842 1.00 0.00 C ATOM 1120 O LEU A 76 5.270 -0.481 -4.140 1.00 0.00 O ATOM 1121 CB LEU A 76 4.146 0.278 -1.486 1.00 0.00 C ATOM 1122 CG LEU A 76 5.363 0.903 -0.802 1.00 0.00 C ATOM 1123 CD1 LEU A 76 4.957 2.141 -0.018 1.00 0.00 C ATOM 1124 CD2 LEU A 76 6.041 -0.110 0.109 1.00 0.00 C ATOM 0 H LEU A 76 2.457 -0.741 -3.165 1.00 0.00 H new ATOM 0 HA LEU A 76 3.598 1.939 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.290 0.373 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.334 -0.788 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 76 6.075 1.203 -1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.836 2.572 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.518 2.873 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.226 1.866 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.905 0.352 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.337 -0.441 0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.367 -0.967 -0.480 1.00 0.00 H new ATOM 1136 N GLN A 77 5.446 1.752 -4.352 1.00 0.00 N ATOM 1137 CA GLN A 77 6.540 1.685 -5.314 1.00 0.00 C ATOM 1138 C GLN A 77 7.672 2.626 -4.918 1.00 0.00 C ATOM 1139 O GLN A 77 7.482 3.839 -4.830 1.00 0.00 O ATOM 1140 CB GLN A 77 6.037 2.034 -6.716 1.00 0.00 C ATOM 1141 CG GLN A 77 6.805 1.340 -7.828 1.00 0.00 C ATOM 1142 CD GLN A 77 6.779 2.118 -9.129 1.00 0.00 C ATOM 1143 OE1 GLN A 77 6.494 3.316 -9.144 1.00 0.00 O ATOM 1144 NE2 GLN A 77 7.077 1.440 -10.231 1.00 0.00 N ATOM 0 H GLN A 77 5.150 2.699 -4.115 1.00 0.00 H new ATOM 0 HA GLN A 77 6.925 0.665 -5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.983 1.766 -6.792 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.103 3.113 -6.859 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.839 1.197 -7.515 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.382 0.349 -7.993 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.307 0.448 -10.173 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.076 1.911 -11.136 1.00 0.00 H new ATOM 1153 N ALA A 78 8.851 2.060 -4.679 1.00 0.00 N ATOM 1154 CA ALA A 78 10.014 2.849 -4.294 1.00 0.00 C ATOM 1155 C ALA A 78 10.883 3.172 -5.505 1.00 0.00 C ATOM 1156 O ALA A 78 10.943 2.401 -6.462 1.00 0.00 O ATOM 1157 CB ALA A 78 10.827 2.111 -3.241 1.00 0.00 C ATOM 0 H ALA A 78 9.025 1.057 -4.745 1.00 0.00 H new ATOM 0 HA ALA A 78 9.661 3.790 -3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.693 2.712 -2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.209 1.936 -2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.163 1.156 -3.644 1.00 0.00 H new ATOM 1163 N MET A 79 11.555 4.318 -5.456 1.00 0.00 N ATOM 1164 CA MET A 79 12.421 4.743 -6.549 1.00 0.00 C ATOM 1165 C MET A 79 13.866 4.326 -6.292 1.00 0.00 C ATOM 1166 O MET A 79 14.499 4.799 -5.348 1.00 0.00 O ATOM 1167 CB MET A 79 12.341 6.260 -6.732 1.00 0.00 C ATOM 1168 CG MET A 79 10.918 6.795 -6.752 1.00 0.00 C ATOM 1169 SD MET A 79 10.837 8.535 -7.217 1.00 0.00 S ATOM 1170 CE MET A 79 10.601 9.302 -5.615 1.00 0.00 C ATOM 0 H MET A 79 11.516 4.968 -4.671 1.00 0.00 H new ATOM 0 HA MET A 79 12.077 4.256 -7.461 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.891 6.745 -5.926 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.836 6.532 -7.664 1.00 0.00 H new ATOM 0 HG2 MET A 79 10.323 6.208 -7.452 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.471 6.665 -5.766 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.152 10.287 -5.746 1.00 0.00 H new ATOM 0 HE2 MET A 79 9.943 8.681 -5.008 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.564 9.406 -5.116 1.00 0.00 H new ATOM 1180 N TRP A 80 14.380 3.439 -7.136 1.00 0.00 N ATOM 1181 CA TRP A 80 15.750 2.959 -6.998 1.00 0.00 C ATOM 1182 C TRP A 80 16.599 3.386 -8.190 1.00 0.00 C ATOM 1183 O TRP A 80 16.537 2.779 -9.258 1.00 0.00 O ATOM 1184 CB TRP A 80 15.767 1.435 -6.864 1.00 0.00 C ATOM 1185 CG TRP A 80 15.592 0.960 -5.454 1.00 0.00 C ATOM 1186 CD1 TRP A 80 16.560 0.865 -4.495 1.00 0.00 C ATOM 1187 CD2 TRP A 80 14.375 0.515 -4.844 1.00 0.00 C ATOM 1188 NE1 TRP A 80 16.018 0.387 -3.326 1.00 0.00 N ATOM 1189 CE2 TRP A 80 14.679 0.165 -3.514 1.00 0.00 C ATOM 1190 CE3 TRP A 80 13.059 0.379 -5.292 1.00 0.00 C ATOM 1191 CZ2 TRP A 80 13.714 -0.312 -2.631 1.00 0.00 C ATOM 1192 CZ3 TRP A 80 12.102 -0.095 -4.415 1.00 0.00 C ATOM 1193 CH2 TRP A 80 12.433 -0.435 -3.096 1.00 0.00 C ATOM 0 H TRP A 80 13.869 3.038 -7.923 1.00 0.00 H new ATOM 0 HA TRP A 80 16.174 3.401 -6.097 1.00 0.00 H new ATOM 0 HB2 TRP A 80 14.974 1.014 -7.482 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.711 1.054 -7.253 1.00 0.00 H new ATOM 0 HD1 TRP A 80 17.598 1.127 -4.635 1.00 0.00 H new ATOM 0 HE1 TRP A 80 16.530 0.224 -2.459 1.00 0.00 H new ATOM 0 HE3 TRP A 80 12.794 0.640 -6.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 13.968 -0.576 -1.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 11.082 -0.205 -4.752 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.662 -0.801 -2.434 1.00 0.00 H new ATOM 1204 N GLY A 81 17.393 4.436 -8.000 1.00 0.00 N ATOM 1205 CA GLY A 81 18.243 4.926 -9.069 1.00 0.00 C ATOM 1206 C GLY A 81 17.484 5.135 -10.364 1.00 0.00 C ATOM 1207 O GLY A 81 16.674 6.055 -10.474 1.00 0.00 O ATOM 0 H GLY A 81 17.462 4.956 -7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.700 5.867 -8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.054 4.218 -9.237 1.00 0.00 H new ATOM 1211 N GLN A 82 17.747 4.280 -11.347 1.00 0.00 N ATOM 1212 CA GLN A 82 17.083 4.378 -12.642 1.00 0.00 C ATOM 1213 C GLN A 82 15.965 3.348 -12.760 1.00 0.00 C ATOM 1214 O GLN A 82 14.951 3.590 -13.414 1.00 0.00 O ATOM 1215 CB GLN A 82 18.094 4.182 -13.773 1.00 0.00 C ATOM 1216 CG GLN A 82 19.187 3.177 -13.445 1.00 0.00 C ATOM 1217 CD GLN A 82 20.098 2.899 -14.625 1.00 0.00 C ATOM 1218 OE1 GLN A 82 19.823 3.320 -15.749 1.00 0.00 O ATOM 1219 NE2 GLN A 82 21.190 2.187 -14.375 1.00 0.00 N ATOM 0 H GLN A 82 18.414 3.512 -11.272 1.00 0.00 H new ATOM 0 HA GLN A 82 16.645 5.373 -12.723 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.566 3.853 -14.668 1.00 0.00 H new ATOM 0 HB3 GLN A 82 18.553 5.142 -14.009 1.00 0.00 H new ATOM 0 HG2 GLN A 82 19.782 3.552 -12.612 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.730 2.244 -13.116 1.00 0.00 H new ATOM 0 HE21 GLN A 82 21.379 1.858 -13.428 1.00 0.00 H new ATOM 0 HE22 GLN A 82 21.840 1.969 -15.130 1.00 0.00 H new ATOM 1228 N SER A 83 16.157 2.198 -12.121 1.00 0.00 N ATOM 1229 CA SER A 83 15.166 1.129 -12.158 1.00 0.00 C ATOM 1230 C SER A 83 14.053 1.385 -11.146 1.00 0.00 C ATOM 1231 O SER A 83 14.191 2.220 -10.251 1.00 0.00 O ATOM 1232 CB SER A 83 15.829 -0.220 -11.873 1.00 0.00 C ATOM 1233 OG SER A 83 16.635 -0.632 -12.963 1.00 0.00 O ATOM 0 H SER A 83 16.989 1.983 -11.572 1.00 0.00 H new ATOM 0 HA SER A 83 14.728 1.107 -13.156 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.439 -0.146 -10.973 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.064 -0.971 -11.678 1.00 0.00 H new ATOM 0 HG SER A 83 17.049 -1.496 -12.756 1.00 0.00 H new ATOM 1239 N LEU A 84 12.949 0.660 -11.295 1.00 0.00 N ATOM 1240 CA LEU A 84 11.811 0.808 -10.394 1.00 0.00 C ATOM 1241 C LEU A 84 11.277 -0.555 -9.965 1.00 0.00 C ATOM 1242 O LEU A 84 10.368 -1.103 -10.590 1.00 0.00 O ATOM 1243 CB LEU A 84 10.700 1.613 -11.072 1.00 0.00 C ATOM 1244 CG LEU A 84 11.036 3.065 -11.412 1.00 0.00 C ATOM 1245 CD1 LEU A 84 10.240 3.528 -12.622 1.00 0.00 C ATOM 1246 CD2 LEU A 84 10.767 3.968 -10.217 1.00 0.00 C ATOM 0 H LEU A 84 12.818 -0.035 -12.030 1.00 0.00 H new ATOM 0 HA LEU A 84 12.148 1.342 -9.506 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.418 1.101 -11.992 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.825 1.606 -10.422 1.00 0.00 H new ATOM 0 HG LEU A 84 12.097 3.125 -11.656 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.492 4.564 -12.849 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.482 2.899 -13.479 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.174 3.453 -12.407 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.012 4.998 -10.477 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.714 3.903 -9.942 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.382 3.650 -9.375 1.00 0.00 H new ATOM 1258 N LEU A 85 11.845 -1.096 -8.893 1.00 0.00 N ATOM 1259 CA LEU A 85 11.425 -2.394 -8.377 1.00 0.00 C ATOM 1260 C LEU A 85 9.908 -2.544 -8.449 1.00 0.00 C ATOM 1261 O LEU A 85 9.161 -1.567 -8.400 1.00 0.00 O ATOM 1262 CB LEU A 85 11.897 -2.568 -6.932 1.00 0.00 C ATOM 1263 CG LEU A 85 13.395 -2.377 -6.689 1.00 0.00 C ATOM 1264 CD1 LEU A 85 13.763 -2.799 -5.275 1.00 0.00 C ATOM 1265 CD2 LEU A 85 14.206 -3.162 -7.710 1.00 0.00 C ATOM 0 H LEU A 85 12.598 -0.656 -8.364 1.00 0.00 H new ATOM 0 HA LEU A 85 11.879 -3.167 -8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.354 -1.860 -6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.619 -3.568 -6.598 1.00 0.00 H new ATOM 0 HG LEU A 85 13.631 -1.319 -6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.832 -2.656 -5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.208 -2.193 -4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.513 -3.850 -5.132 1.00 0.00 H new ATOM 0 HD21 LEU A 85 15.269 -3.014 -7.521 1.00 0.00 H new ATOM 0 HD22 LEU A 85 13.967 -4.222 -7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.963 -2.813 -8.714 1.00 0.00 H new ATOM 1277 N PRO A 86 9.442 -3.796 -8.567 1.00 0.00 N ATOM 1278 CA PRO A 86 8.011 -4.104 -8.645 1.00 0.00 C ATOM 1279 C PRO A 86 7.291 -3.855 -7.324 1.00 0.00 C ATOM 1280 O PRO A 86 7.607 -4.452 -6.295 1.00 0.00 O ATOM 1281 CB PRO A 86 7.988 -5.594 -8.995 1.00 0.00 C ATOM 1282 CG PRO A 86 9.281 -6.124 -8.479 1.00 0.00 C ATOM 1283 CD PRO A 86 10.276 -5.008 -8.631 1.00 0.00 C ATOM 0 HA PRO A 86 7.497 -3.474 -9.371 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.140 -6.097 -8.530 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.898 -5.747 -10.071 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.190 -6.426 -7.436 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.594 -7.005 -9.040 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.023 -5.024 -7.837 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.814 -5.076 -9.576 1.00 0.00 H new ATOM 1291 N PRO A 87 6.299 -2.952 -7.351 1.00 0.00 N ATOM 1292 CA PRO A 87 5.513 -2.605 -6.163 1.00 0.00 C ATOM 1293 C PRO A 87 4.599 -3.742 -5.720 1.00 0.00 C ATOM 1294 O PRO A 87 4.378 -4.699 -6.462 1.00 0.00 O ATOM 1295 CB PRO A 87 4.686 -1.403 -6.625 1.00 0.00 C ATOM 1296 CG PRO A 87 4.582 -1.559 -8.103 1.00 0.00 C ATOM 1297 CD PRO A 87 5.868 -2.202 -8.542 1.00 0.00 C ATOM 0 HA PRO A 87 6.147 -2.398 -5.301 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.701 -1.397 -6.157 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.171 -0.464 -6.359 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.725 -2.177 -8.371 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.443 -0.593 -8.589 1.00 0.00 H new ATOM 0 HD2 PRO A 87 5.717 -2.860 -9.398 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.608 -1.459 -8.838 1.00 0.00 H new ATOM 1305 N VAL A 88 4.069 -3.631 -4.506 1.00 0.00 N ATOM 1306 CA VAL A 88 3.177 -4.649 -3.965 1.00 0.00 C ATOM 1307 C VAL A 88 1.739 -4.145 -3.907 1.00 0.00 C ATOM 1308 O VAL A 88 1.473 -3.054 -3.404 1.00 0.00 O ATOM 1309 CB VAL A 88 3.614 -5.085 -2.554 1.00 0.00 C ATOM 1310 CG1 VAL A 88 4.819 -6.010 -2.630 1.00 0.00 C ATOM 1311 CG2 VAL A 88 3.917 -3.870 -1.691 1.00 0.00 C ATOM 0 H VAL A 88 4.242 -2.846 -3.878 1.00 0.00 H new ATOM 0 HA VAL A 88 3.231 -5.507 -4.635 1.00 0.00 H new ATOM 0 HB VAL A 88 2.794 -5.634 -2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.113 -6.308 -1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.561 -6.896 -3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.647 -5.490 -3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.224 -4.197 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.720 -3.291 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.024 -3.250 -1.609 1.00 0.00 H new ATOM 1321 N SER A 89 0.815 -4.948 -4.425 1.00 0.00 N ATOM 1322 CA SER A 89 -0.597 -4.583 -4.435 1.00 0.00 C ATOM 1323 C SER A 89 -1.360 -5.333 -3.347 1.00 0.00 C ATOM 1324 O SER A 89 -1.208 -6.544 -3.187 1.00 0.00 O ATOM 1325 CB SER A 89 -1.212 -4.881 -5.803 1.00 0.00 C ATOM 1326 OG SER A 89 -1.433 -6.270 -5.972 1.00 0.00 O ATOM 0 H SER A 89 1.019 -5.856 -4.843 1.00 0.00 H new ATOM 0 HA SER A 89 -0.672 -3.514 -4.236 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.155 -4.345 -5.906 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.551 -4.517 -6.589 1.00 0.00 H new ATOM 0 HG SER A 89 -1.828 -6.433 -6.854 1.00 0.00 H new ATOM 1332 N THR A 90 -2.182 -4.603 -2.600 1.00 0.00 N ATOM 1333 CA THR A 90 -2.969 -5.197 -1.526 1.00 0.00 C ATOM 1334 C THR A 90 -4.352 -4.562 -1.442 1.00 0.00 C ATOM 1335 O THR A 90 -4.481 -3.340 -1.365 1.00 0.00 O ATOM 1336 CB THR A 90 -2.264 -5.047 -0.164 1.00 0.00 C ATOM 1337 OG1 THR A 90 -2.834 -5.955 0.785 1.00 0.00 O ATOM 1338 CG2 THR A 90 -2.386 -3.622 0.354 1.00 0.00 C ATOM 0 H THR A 90 -2.320 -3.599 -2.719 1.00 0.00 H new ATOM 0 HA THR A 90 -3.072 -6.257 -1.759 1.00 0.00 H new ATOM 0 HB THR A 90 -1.208 -5.279 -0.299 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.379 -5.855 1.647 1.00 0.00 H new ATOM 0 HG21 THR A 90 -1.881 -3.540 1.316 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.926 -2.936 -0.357 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.439 -3.367 0.474 1.00 0.00 H new ATOM 1346 N SER A 91 -5.384 -5.399 -1.457 1.00 0.00 N ATOM 1347 CA SER A 91 -6.759 -4.919 -1.386 1.00 0.00 C ATOM 1348 C SER A 91 -7.276 -4.960 0.049 1.00 0.00 C ATOM 1349 O SER A 91 -7.105 -5.955 0.754 1.00 0.00 O ATOM 1350 CB SER A 91 -7.663 -5.760 -2.289 1.00 0.00 C ATOM 1351 OG SER A 91 -7.182 -5.772 -3.622 1.00 0.00 O ATOM 0 H SER A 91 -5.294 -6.413 -1.518 1.00 0.00 H new ATOM 0 HA SER A 91 -6.774 -3.885 -1.730 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.715 -6.780 -1.908 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.677 -5.360 -2.268 1.00 0.00 H new ATOM 0 HG SER A 91 -7.776 -6.317 -4.179 1.00 0.00 H new ATOM 1357 N PHE A 92 -7.907 -3.872 0.476 1.00 0.00 N ATOM 1358 CA PHE A 92 -8.448 -3.782 1.827 1.00 0.00 C ATOM 1359 C PHE A 92 -9.810 -3.094 1.823 1.00 0.00 C ATOM 1360 O PHE A 92 -10.033 -2.136 1.082 1.00 0.00 O ATOM 1361 CB PHE A 92 -7.482 -3.020 2.736 1.00 0.00 C ATOM 1362 CG PHE A 92 -7.416 -1.549 2.442 1.00 0.00 C ATOM 1363 CD1 PHE A 92 -6.842 -1.089 1.268 1.00 0.00 C ATOM 1364 CD2 PHE A 92 -7.928 -0.625 3.339 1.00 0.00 C ATOM 1365 CE1 PHE A 92 -6.780 0.265 0.994 1.00 0.00 C ATOM 1366 CE2 PHE A 92 -7.869 0.729 3.070 1.00 0.00 C ATOM 1367 CZ PHE A 92 -7.293 1.175 1.897 1.00 0.00 C ATOM 0 H PHE A 92 -8.057 -3.040 -0.094 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.574 -4.795 2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.784 -3.162 3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.485 -3.448 2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.438 -1.796 0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.378 -0.967 4.259 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.331 0.610 0.075 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.273 1.438 3.777 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.244 2.233 1.686 1.00 0.00 H new ATOM 1377 N THR A 93 -10.720 -3.590 2.656 1.00 0.00 N ATOM 1378 CA THR A 93 -12.060 -3.026 2.748 1.00 0.00 C ATOM 1379 C THR A 93 -12.249 -2.267 4.057 1.00 0.00 C ATOM 1380 O THR A 93 -11.875 -2.750 5.127 1.00 0.00 O ATOM 1381 CB THR A 93 -13.139 -4.120 2.643 1.00 0.00 C ATOM 1382 OG1 THR A 93 -12.809 -5.033 1.590 1.00 0.00 O ATOM 1383 CG2 THR A 93 -14.507 -3.508 2.380 1.00 0.00 C ATOM 0 H THR A 93 -10.552 -4.382 3.277 1.00 0.00 H new ATOM 0 HA THR A 93 -12.170 -2.336 1.911 1.00 0.00 H new ATOM 0 HB THR A 93 -13.175 -4.656 3.591 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.499 -5.727 1.530 1.00 0.00 H new ATOM 0 HG21 THR A 93 -15.253 -4.300 2.310 1.00 0.00 H new ATOM 0 HG22 THR A 93 -14.768 -2.835 3.197 1.00 0.00 H new ATOM 0 HG23 THR A 93 -14.482 -2.949 1.444 1.00 0.00 H new ATOM 1391 N THR A 94 -12.831 -1.075 3.967 1.00 0.00 N ATOM 1392 CA THR A 94 -13.069 -0.250 5.144 1.00 0.00 C ATOM 1393 C THR A 94 -14.350 -0.665 5.857 1.00 0.00 C ATOM 1394 O THR A 94 -15.219 -1.309 5.270 1.00 0.00 O ATOM 1395 CB THR A 94 -13.162 1.243 4.774 1.00 0.00 C ATOM 1396 OG1 THR A 94 -14.329 1.478 3.977 1.00 0.00 O ATOM 1397 CG2 THR A 94 -11.923 1.689 4.012 1.00 0.00 C ATOM 0 H THR A 94 -13.146 -0.660 3.090 1.00 0.00 H new ATOM 0 HA THR A 94 -12.220 -0.400 5.811 1.00 0.00 H new ATOM 0 HB THR A 94 -13.230 1.820 5.696 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.613 2.410 4.079 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.011 2.746 3.761 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.040 1.535 4.632 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.829 1.106 3.096 1.00 0.00 H new ATOM 1405 N GLY A 95 -14.462 -0.292 7.129 1.00 0.00 N ATOM 1406 CA GLY A 95 -15.642 -0.635 7.901 1.00 0.00 C ATOM 1407 C GLY A 95 -16.850 0.194 7.513 1.00 0.00 C ATOM 1408 O GLY A 95 -17.051 0.498 6.338 1.00 0.00 O ATOM 0 H GLY A 95 -13.757 0.241 7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -15.870 -1.692 7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -15.433 -0.493 8.961 1.00 0.00 H new ATOM 1412 N GLY A 96 -17.659 0.559 8.503 1.00 0.00 N ATOM 1413 CA GLY A 96 -18.845 1.352 8.239 1.00 0.00 C ATOM 1414 C GLY A 96 -19.210 2.255 9.400 1.00 0.00 C ATOM 1415 O GLY A 96 -19.240 1.817 10.551 1.00 0.00 O ATOM 0 H GLY A 96 -17.514 0.319 9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -18.681 1.959 7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -19.682 0.688 8.023 1.00 0.00 H new ATOM 1419 N LEU A 97 -19.486 3.519 9.101 1.00 0.00 N ATOM 1420 CA LEU A 97 -19.849 4.488 10.130 1.00 0.00 C ATOM 1421 C LEU A 97 -20.681 3.831 11.226 1.00 0.00 C ATOM 1422 O LEU A 97 -21.901 3.719 11.111 1.00 0.00 O ATOM 1423 CB LEU A 97 -20.627 5.651 9.511 1.00 0.00 C ATOM 1424 CG LEU A 97 -19.861 6.511 8.505 1.00 0.00 C ATOM 1425 CD1 LEU A 97 -20.818 7.403 7.729 1.00 0.00 C ATOM 1426 CD2 LEU A 97 -18.806 7.348 9.214 1.00 0.00 C ATOM 0 H LEU A 97 -19.466 3.898 8.154 1.00 0.00 H new ATOM 0 HA LEU A 97 -18.931 4.870 10.576 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.511 5.248 9.016 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -20.979 6.296 10.316 1.00 0.00 H new ATOM 0 HG LEU A 97 -19.358 5.850 7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -20.256 8.008 7.018 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -21.536 6.785 7.191 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -21.349 8.057 8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -18.270 7.954 8.483 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -19.288 8.000 9.942 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -18.103 6.690 9.725 1.00 0.00 H new