USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 658 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 51 THR OG1 : rot -46:sc= 1.73 USER MOD Set 1.2: A 55 THR OG1 : rot 3:sc= 0.552 USER MOD Set 2.1: A 38 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0184) USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.403 USER MOD Single : A 13 LYS NZ :NH3+ 145:sc= -0.218 (180deg=-1.2) USER MOD Single : A 14 CYS SG : rot 143:sc= -1.08 USER MOD Single : A 17 THR OG1 : rot 26:sc= 0.14 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 165:sc=-0.00306 (180deg=-0.104) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= -0.0231 (180deg=-0.185) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot -120:sc= -2.17! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 73 TYR OH : rot -163:sc= 0.722 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0608) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -28:sc= 1.23 USER MOD Single : A 84 TYR OH : rot 15:sc= -0.044 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 170:sc= -0.996 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0042 USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 10 -9.382 -19.293 -6.434 1.00 0.00 N ATOM 88 CA ASP A 10 -9.833 -18.130 -7.188 1.00 0.00 C ATOM 89 C ASP A 10 -9.437 -16.837 -6.480 1.00 0.00 C ATOM 90 O ASP A 10 -9.255 -16.815 -5.263 1.00 0.00 O ATOM 91 CB ASP A 10 -11.349 -18.176 -7.383 1.00 0.00 C ATOM 92 CG ASP A 10 -11.758 -19.094 -8.517 1.00 0.00 C ATOM 93 OD1 ASP A 10 -11.536 -18.724 -9.689 1.00 0.00 O ATOM 94 OD2 ASP A 10 -12.304 -20.181 -8.234 1.00 0.00 O ATOM 0 HA ASP A 10 -9.350 -18.152 -8.165 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.821 -18.511 -6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.718 -17.170 -7.583 1.00 0.00 H new ATOM 99 N ALA A 11 -9.306 -15.762 -7.251 1.00 0.00 N ATOM 100 CA ALA A 11 -8.933 -14.466 -6.698 1.00 0.00 C ATOM 101 C ALA A 11 -10.143 -13.542 -6.604 1.00 0.00 C ATOM 102 O ALA A 11 -10.378 -12.913 -5.571 1.00 0.00 O ATOM 103 CB ALA A 11 -7.841 -13.827 -7.542 1.00 0.00 C ATOM 0 H ALA A 11 -9.453 -15.763 -8.260 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.550 -14.624 -5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.572 -12.860 -7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.964 -14.475 -7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.203 -13.688 -8.561 1.00 0.00 H new ATOM 109 N SER A 12 -10.906 -13.462 -7.688 1.00 0.00 N ATOM 110 CA SER A 12 -12.089 -12.610 -7.730 1.00 0.00 C ATOM 111 C SER A 12 -12.880 -12.716 -6.430 1.00 0.00 C ATOM 112 O SER A 12 -13.399 -11.721 -5.922 1.00 0.00 O ATOM 113 CB SER A 12 -12.978 -12.993 -8.914 1.00 0.00 C ATOM 114 OG SER A 12 -14.122 -12.159 -8.984 1.00 0.00 O ATOM 0 H SER A 12 -10.727 -13.977 -8.550 1.00 0.00 H new ATOM 0 HA SER A 12 -11.759 -11.578 -7.852 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.409 -12.914 -9.840 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.288 -14.034 -8.818 1.00 0.00 H new ATOM 0 HG SER A 12 -14.673 -12.423 -9.750 1.00 0.00 H new ATOM 120 N LYS A 13 -12.970 -13.929 -5.896 1.00 0.00 N ATOM 121 CA LYS A 13 -13.697 -14.168 -4.655 1.00 0.00 C ATOM 122 C LYS A 13 -13.046 -13.425 -3.492 1.00 0.00 C ATOM 123 O LYS A 13 -13.734 -12.881 -2.629 1.00 0.00 O ATOM 124 CB LYS A 13 -13.749 -15.668 -4.351 1.00 0.00 C ATOM 125 CG LYS A 13 -14.156 -16.515 -5.543 1.00 0.00 C ATOM 126 CD LYS A 13 -15.489 -16.068 -6.117 1.00 0.00 C ATOM 127 CE LYS A 13 -16.649 -16.489 -5.225 1.00 0.00 C ATOM 128 NZ LYS A 13 -16.972 -15.450 -4.209 1.00 0.00 N ATOM 0 H LYS A 13 -12.548 -14.763 -6.304 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.713 -13.793 -4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.769 -15.994 -4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.452 -15.841 -3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.388 -16.452 -6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.221 -17.561 -5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.492 -14.984 -6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.620 -16.495 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.528 -16.682 -5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.400 -17.424 -4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.999 -15.434 -4.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -16.481 -15.670 -3.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -16.662 -14.519 -4.554 1.00 0.00 H new ATOM 142 N CYS A 14 -11.718 -13.406 -3.477 1.00 0.00 N ATOM 143 CA CYS A 14 -10.975 -12.729 -2.421 1.00 0.00 C ATOM 144 C CYS A 14 -11.472 -11.300 -2.236 1.00 0.00 C ATOM 145 O CYS A 14 -11.833 -10.627 -3.204 1.00 0.00 O ATOM 146 CB CYS A 14 -9.480 -12.725 -2.743 1.00 0.00 C ATOM 147 SG CYS A 14 -8.411 -12.732 -1.284 1.00 0.00 S ATOM 0 H CYS A 14 -11.134 -13.852 -4.184 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.137 -13.273 -1.491 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.248 -13.597 -3.354 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.251 -11.845 -3.344 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.370 -13.477 -1.512 1.00 0.00 H new ATOM 153 N LEU A 15 -11.490 -10.841 -0.990 1.00 0.00 N ATOM 154 CA LEU A 15 -11.945 -9.490 -0.678 1.00 0.00 C ATOM 155 C LEU A 15 -10.838 -8.685 -0.004 1.00 0.00 C ATOM 156 O LEU A 15 -9.980 -9.242 0.680 1.00 0.00 O ATOM 157 CB LEU A 15 -13.177 -9.542 0.227 1.00 0.00 C ATOM 158 CG LEU A 15 -14.347 -10.387 -0.280 1.00 0.00 C ATOM 159 CD1 LEU A 15 -15.510 -10.327 0.697 1.00 0.00 C ATOM 160 CD2 LEU A 15 -14.783 -9.922 -1.661 1.00 0.00 C ATOM 0 H LEU A 15 -11.195 -11.384 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.210 -8.997 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -12.872 -9.926 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -13.532 -8.523 0.383 1.00 0.00 H new ATOM 0 HG LEU A 15 -14.016 -11.423 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.333 -10.934 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.191 -10.710 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -15.841 -9.294 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.616 -10.535 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.096 -8.879 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.950 -10.018 -2.357 1.00 0.00 H new ATOM 172 N ALA A 16 -10.867 -7.371 -0.201 1.00 0.00 N ATOM 173 CA ALA A 16 -9.870 -6.488 0.392 1.00 0.00 C ATOM 174 C ALA A 16 -10.531 -5.342 1.149 1.00 0.00 C ATOM 175 O ALA A 16 -11.211 -4.504 0.557 1.00 0.00 O ATOM 176 CB ALA A 16 -8.939 -5.947 -0.684 1.00 0.00 C ATOM 0 H ALA A 16 -11.570 -6.895 -0.766 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.285 -7.068 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.199 -5.289 -0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.432 -6.776 -1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.518 -5.388 -1.419 1.00 0.00 H new ATOM 182 N THR A 17 -10.327 -5.310 2.462 1.00 0.00 N ATOM 183 CA THR A 17 -10.905 -4.268 3.301 1.00 0.00 C ATOM 184 C THR A 17 -9.829 -3.557 4.114 1.00 0.00 C ATOM 185 O THR A 17 -9.008 -4.198 4.768 1.00 0.00 O ATOM 186 CB THR A 17 -11.964 -4.842 4.261 1.00 0.00 C ATOM 187 OG1 THR A 17 -11.399 -5.908 5.033 1.00 0.00 O ATOM 188 CG2 THR A 17 -13.173 -5.352 3.491 1.00 0.00 C ATOM 0 H THR A 17 -9.765 -5.995 2.968 1.00 0.00 H new ATOM 0 HA THR A 17 -11.383 -3.552 2.632 1.00 0.00 H new ATOM 0 HB THR A 17 -12.289 -4.043 4.928 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.431 -5.779 5.110 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.907 -5.753 4.190 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.618 -4.532 2.928 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.861 -6.138 2.803 1.00 0.00 H new ATOM 196 N GLY A 18 -9.841 -2.229 4.070 1.00 0.00 N ATOM 197 CA GLY A 18 -8.861 -1.453 4.808 1.00 0.00 C ATOM 198 C GLY A 18 -8.887 0.017 4.438 1.00 0.00 C ATOM 199 O GLY A 18 -9.296 0.395 3.340 1.00 0.00 O ATOM 0 H GLY A 18 -10.512 -1.676 3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.048 -1.559 5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.866 -1.855 4.618 1.00 0.00 H new ATOM 203 N PRO A 19 -8.444 0.873 5.370 1.00 0.00 N ATOM 204 CA PRO A 19 -8.408 2.323 5.159 1.00 0.00 C ATOM 205 C PRO A 19 -7.353 2.735 4.138 1.00 0.00 C ATOM 206 O PRO A 19 -7.389 3.844 3.605 1.00 0.00 O ATOM 207 CB PRO A 19 -8.057 2.875 6.543 1.00 0.00 C ATOM 208 CG PRO A 19 -7.330 1.764 7.220 1.00 0.00 C ATOM 209 CD PRO A 19 -7.942 0.492 6.701 1.00 0.00 C ATOM 0 HA PRO A 19 -9.350 2.700 4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.435 3.767 6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.953 3.157 7.096 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.264 1.803 6.998 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.433 1.833 8.303 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.208 -0.311 6.639 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.746 0.140 7.348 1.00 0.00 H new ATOM 217 N GLY A 20 -6.413 1.835 3.868 1.00 0.00 N ATOM 218 CA GLY A 20 -5.361 2.123 2.912 1.00 0.00 C ATOM 219 C GLY A 20 -5.841 2.026 1.477 1.00 0.00 C ATOM 220 O GLY A 20 -5.318 2.708 0.593 1.00 0.00 O ATOM 0 H GLY A 20 -6.362 0.910 4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.972 3.125 3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.536 1.428 3.064 1.00 0.00 H new ATOM 224 N ILE A 21 -6.835 1.177 1.243 1.00 0.00 N ATOM 225 CA ILE A 21 -7.384 0.993 -0.095 1.00 0.00 C ATOM 226 C ILE A 21 -8.603 1.881 -0.315 1.00 0.00 C ATOM 227 O ILE A 21 -9.377 1.669 -1.249 1.00 0.00 O ATOM 228 CB ILE A 21 -7.778 -0.474 -0.345 1.00 0.00 C ATOM 229 CG1 ILE A 21 -8.900 -0.894 0.607 1.00 0.00 C ATOM 230 CG2 ILE A 21 -6.569 -1.383 -0.181 1.00 0.00 C ATOM 231 CD1 ILE A 21 -9.538 -2.216 0.245 1.00 0.00 C ATOM 0 H ILE A 21 -7.277 0.605 1.963 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.601 1.274 -0.799 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.142 -0.567 -1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.501 -0.958 1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.667 -0.120 0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.864 -2.417 -0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.798 -1.096 -0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.177 -1.289 0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.324 -2.449 0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.967 -2.151 -0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.783 -3.002 0.265 1.00 0.00 H new ATOM 243 N ALA A 22 -8.768 2.876 0.549 1.00 0.00 N ATOM 244 CA ALA A 22 -9.893 3.799 0.446 1.00 0.00 C ATOM 245 C ALA A 22 -9.761 4.690 -0.785 1.00 0.00 C ATOM 246 O ALA A 22 -8.664 5.126 -1.132 1.00 0.00 O ATOM 247 CB ALA A 22 -9.996 4.646 1.706 1.00 0.00 C ATOM 0 H ALA A 22 -8.138 3.065 1.328 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.805 3.212 0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.839 5.331 1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.145 3.997 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.077 5.218 1.836 1.00 0.00 H new ATOM 253 N SER A 23 -10.886 4.955 -1.440 1.00 0.00 N ATOM 254 CA SER A 23 -10.896 5.790 -2.635 1.00 0.00 C ATOM 255 C SER A 23 -9.947 6.976 -2.478 1.00 0.00 C ATOM 256 O SER A 23 -9.228 7.339 -3.408 1.00 0.00 O ATOM 257 CB SER A 23 -12.312 6.292 -2.922 1.00 0.00 C ATOM 258 OG SER A 23 -13.223 5.211 -3.032 1.00 0.00 O ATOM 0 H SER A 23 -11.803 4.604 -1.163 1.00 0.00 H new ATOM 0 HA SER A 23 -10.556 5.183 -3.474 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.632 6.962 -2.124 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.316 6.871 -3.846 1.00 0.00 H new ATOM 0 HG SER A 23 -14.121 5.558 -3.214 1.00 0.00 H new ATOM 264 N THR A 24 -9.950 7.574 -1.290 1.00 0.00 N ATOM 265 CA THR A 24 -9.093 8.718 -1.010 1.00 0.00 C ATOM 266 C THR A 24 -8.508 8.634 0.396 1.00 0.00 C ATOM 267 O THR A 24 -9.198 8.265 1.346 1.00 0.00 O ATOM 268 CB THR A 24 -9.861 10.046 -1.155 1.00 0.00 C ATOM 269 OG1 THR A 24 -11.024 10.032 -0.321 1.00 0.00 O ATOM 270 CG2 THR A 24 -10.269 10.278 -2.602 1.00 0.00 C ATOM 0 H THR A 24 -10.537 7.284 -0.507 1.00 0.00 H new ATOM 0 HA THR A 24 -8.285 8.693 -1.741 1.00 0.00 H new ATOM 0 HB THR A 24 -9.203 10.858 -0.845 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.506 10.880 -0.417 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.810 11.221 -2.681 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.378 10.317 -3.229 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.912 9.463 -2.934 1.00 0.00 H new ATOM 278 N VAL A 25 -7.230 8.980 0.522 1.00 0.00 N ATOM 279 CA VAL A 25 -6.552 8.945 1.812 1.00 0.00 C ATOM 280 C VAL A 25 -5.673 10.176 2.005 1.00 0.00 C ATOM 281 O VAL A 25 -5.380 10.899 1.052 1.00 0.00 O ATOM 282 CB VAL A 25 -5.684 7.681 1.957 1.00 0.00 C ATOM 283 CG1 VAL A 25 -6.545 6.430 1.866 1.00 0.00 C ATOM 284 CG2 VAL A 25 -4.589 7.663 0.900 1.00 0.00 C ATOM 0 H VAL A 25 -6.644 9.288 -0.254 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.329 8.933 2.577 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.210 7.697 2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.915 5.546 1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.289 6.442 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.049 6.404 0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.985 6.763 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.041 7.670 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.956 8.543 1.017 1.00 0.00 H new ATOM 294 N LYS A 26 -5.255 10.410 3.244 1.00 0.00 N ATOM 295 CA LYS A 26 -4.408 11.553 3.564 1.00 0.00 C ATOM 296 C LYS A 26 -2.933 11.171 3.498 1.00 0.00 C ATOM 297 O LYS A 26 -2.574 10.005 3.663 1.00 0.00 O ATOM 298 CB LYS A 26 -4.746 12.091 4.956 1.00 0.00 C ATOM 299 CG LYS A 26 -4.351 11.153 6.083 1.00 0.00 C ATOM 300 CD LYS A 26 -5.269 11.306 7.284 1.00 0.00 C ATOM 301 CE LYS A 26 -5.033 12.627 8.000 1.00 0.00 C ATOM 302 NZ LYS A 26 -5.785 12.705 9.283 1.00 0.00 N ATOM 0 H LYS A 26 -5.489 9.822 4.044 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.597 12.332 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.244 13.048 5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.818 12.282 5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.383 10.123 5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.322 11.355 6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.308 11.247 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.104 10.481 7.977 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.968 12.749 8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.334 13.450 7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.598 13.620 9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.804 12.614 9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.480 11.935 9.912 1.00 0.00 H new ATOM 316 N THR A 27 -2.080 12.163 3.259 1.00 0.00 N ATOM 317 CA THR A 27 -0.644 11.931 3.173 1.00 0.00 C ATOM 318 C THR A 27 0.017 12.060 4.541 1.00 0.00 C ATOM 319 O THR A 27 -0.562 12.621 5.470 1.00 0.00 O ATOM 320 CB THR A 27 0.026 12.917 2.197 1.00 0.00 C ATOM 321 OG1 THR A 27 -0.174 14.261 2.645 1.00 0.00 O ATOM 322 CG2 THR A 27 -0.537 12.756 0.793 1.00 0.00 C ATOM 0 H THR A 27 -2.359 13.134 3.122 1.00 0.00 H new ATOM 0 HA THR A 27 -0.509 10.915 2.802 1.00 0.00 H new ATOM 0 HB THR A 27 1.093 12.698 2.170 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.256 14.882 2.020 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.049 13.463 0.122 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.357 11.740 0.443 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.609 12.950 0.807 1.00 0.00 H new ATOM 330 N GLY A 28 1.233 11.535 4.657 1.00 0.00 N ATOM 331 CA GLY A 28 1.953 11.602 5.915 1.00 0.00 C ATOM 332 C GLY A 28 1.540 10.507 6.878 1.00 0.00 C ATOM 333 O GLY A 28 2.375 9.957 7.596 1.00 0.00 O ATOM 0 H GLY A 28 1.732 11.065 3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.023 11.527 5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.780 12.573 6.378 1.00 0.00 H new ATOM 337 N GLU A 29 0.248 10.191 6.895 1.00 0.00 N ATOM 338 CA GLU A 29 -0.272 9.156 7.780 1.00 0.00 C ATOM 339 C GLU A 29 0.050 7.765 7.239 1.00 0.00 C ATOM 340 O GLU A 29 0.418 7.612 6.076 1.00 0.00 O ATOM 341 CB GLU A 29 -1.785 9.312 7.948 1.00 0.00 C ATOM 342 CG GLU A 29 -2.182 10.492 8.818 1.00 0.00 C ATOM 343 CD GLU A 29 -2.221 10.143 10.293 1.00 0.00 C ATOM 344 OE1 GLU A 29 -3.287 9.705 10.772 1.00 0.00 O ATOM 345 OE2 GLU A 29 -1.183 10.308 10.968 1.00 0.00 O ATOM 0 H GLU A 29 -0.456 10.637 6.307 1.00 0.00 H new ATOM 0 HA GLU A 29 0.209 9.269 8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.241 9.427 6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.190 8.398 8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.477 11.308 8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.163 10.853 8.508 1.00 0.00 H new ATOM 352 N GLU A 30 -0.091 6.758 8.094 1.00 0.00 N ATOM 353 CA GLU A 30 0.187 5.381 7.703 1.00 0.00 C ATOM 354 C GLU A 30 -1.085 4.539 7.738 1.00 0.00 C ATOM 355 O GLU A 30 -1.759 4.454 8.764 1.00 0.00 O ATOM 356 CB GLU A 30 1.243 4.768 8.626 1.00 0.00 C ATOM 357 CG GLU A 30 1.435 3.274 8.424 1.00 0.00 C ATOM 358 CD GLU A 30 2.461 2.683 9.371 1.00 0.00 C ATOM 359 OE1 GLU A 30 3.669 2.919 9.160 1.00 0.00 O ATOM 360 OE2 GLU A 30 2.055 1.987 10.324 1.00 0.00 O ATOM 0 H GLU A 30 -0.396 6.869 9.061 1.00 0.00 H new ATOM 0 HA GLU A 30 0.569 5.390 6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.195 5.274 8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.959 4.952 9.662 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.481 2.767 8.566 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.745 3.087 7.396 1.00 0.00 H new ATOM 367 N VAL A 31 -1.407 3.917 6.607 1.00 0.00 N ATOM 368 CA VAL A 31 -2.597 3.081 6.506 1.00 0.00 C ATOM 369 C VAL A 31 -2.249 1.607 6.681 1.00 0.00 C ATOM 370 O VAL A 31 -1.077 1.234 6.704 1.00 0.00 O ATOM 371 CB VAL A 31 -3.305 3.273 5.152 1.00 0.00 C ATOM 372 CG1 VAL A 31 -3.877 4.679 5.044 1.00 0.00 C ATOM 373 CG2 VAL A 31 -2.347 2.989 4.005 1.00 0.00 C ATOM 0 H VAL A 31 -0.860 3.977 5.748 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.270 3.390 7.306 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.131 2.564 5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.374 4.797 4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.597 4.841 5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.070 5.407 5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.864 3.130 3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.499 3.672 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.990 1.962 4.075 1.00 0.00 H new ATOM 383 N GLY A 32 -3.277 0.772 6.803 1.00 0.00 N ATOM 384 CA GLY A 32 -3.060 -0.652 6.974 1.00 0.00 C ATOM 385 C GLY A 32 -4.287 -1.471 6.625 1.00 0.00 C ATOM 386 O GLY A 32 -5.239 -1.539 7.403 1.00 0.00 O ATOM 0 H GLY A 32 -4.256 1.057 6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.226 -0.967 6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.775 -0.852 8.007 1.00 0.00 H new ATOM 390 N PHE A 33 -4.267 -2.095 5.452 1.00 0.00 N ATOM 391 CA PHE A 33 -5.386 -2.912 5.000 1.00 0.00 C ATOM 392 C PHE A 33 -5.051 -4.397 5.097 1.00 0.00 C ATOM 393 O PHE A 33 -3.882 -4.782 5.087 1.00 0.00 O ATOM 394 CB PHE A 33 -5.757 -2.555 3.559 1.00 0.00 C ATOM 395 CG PHE A 33 -4.692 -2.907 2.562 1.00 0.00 C ATOM 396 CD1 PHE A 33 -4.509 -4.219 2.158 1.00 0.00 C ATOM 397 CD2 PHE A 33 -3.875 -1.924 2.026 1.00 0.00 C ATOM 398 CE1 PHE A 33 -3.529 -4.546 1.239 1.00 0.00 C ATOM 399 CE2 PHE A 33 -2.893 -2.245 1.107 1.00 0.00 C ATOM 400 CZ PHE A 33 -2.721 -3.558 0.713 1.00 0.00 C ATOM 0 H PHE A 33 -3.487 -2.050 4.797 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.237 -2.707 5.649 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.679 -3.071 3.291 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.961 -1.486 3.499 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.139 -4.996 2.566 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.007 -0.896 2.330 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.396 -5.573 0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.261 -1.470 0.698 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.955 -3.811 -0.006 1.00 0.00 H new ATOM 410 N VAL A 34 -6.085 -5.226 5.194 1.00 0.00 N ATOM 411 CA VAL A 34 -5.901 -6.670 5.292 1.00 0.00 C ATOM 412 C VAL A 34 -6.810 -7.407 4.316 1.00 0.00 C ATOM 413 O VAL A 34 -7.985 -7.071 4.168 1.00 0.00 O ATOM 414 CB VAL A 34 -6.182 -7.175 6.721 1.00 0.00 C ATOM 415 CG1 VAL A 34 -7.609 -6.845 7.133 1.00 0.00 C ATOM 416 CG2 VAL A 34 -5.923 -8.671 6.817 1.00 0.00 C ATOM 0 H VAL A 34 -7.059 -4.923 5.207 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.861 -6.875 5.040 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.505 -6.667 7.407 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.789 -7.209 8.144 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.755 -5.765 7.105 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.306 -7.324 6.445 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.126 -9.011 7.832 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.575 -9.199 6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.882 -8.877 6.567 1.00 0.00 H new ATOM 426 N VAL A 35 -6.259 -8.418 3.650 1.00 0.00 N ATOM 427 CA VAL A 35 -7.020 -9.206 2.689 1.00 0.00 C ATOM 428 C VAL A 35 -7.749 -10.356 3.374 1.00 0.00 C ATOM 429 O VAL A 35 -7.135 -11.171 4.062 1.00 0.00 O ATOM 430 CB VAL A 35 -6.110 -9.774 1.584 1.00 0.00 C ATOM 431 CG1 VAL A 35 -6.895 -10.705 0.672 1.00 0.00 C ATOM 432 CG2 VAL A 35 -5.471 -8.648 0.788 1.00 0.00 C ATOM 0 H VAL A 35 -5.288 -8.710 3.759 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.751 -8.535 2.238 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.314 -10.351 2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.236 -11.097 -0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.299 -11.531 1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.713 -10.155 0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.832 -9.068 0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.250 -8.041 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.873 -8.026 1.454 1.00 0.00 H new ATOM 442 N ASP A 36 -9.062 -10.415 3.182 1.00 0.00 N ATOM 443 CA ASP A 36 -9.876 -11.467 3.780 1.00 0.00 C ATOM 444 C ASP A 36 -10.204 -12.549 2.757 1.00 0.00 C ATOM 445 O ASP A 36 -10.542 -12.252 1.611 1.00 0.00 O ATOM 446 CB ASP A 36 -11.166 -10.879 4.353 1.00 0.00 C ATOM 447 CG ASP A 36 -11.721 -11.706 5.497 1.00 0.00 C ATOM 448 OD1 ASP A 36 -12.141 -12.855 5.248 1.00 0.00 O ATOM 449 OD2 ASP A 36 -11.737 -11.203 6.639 1.00 0.00 O ATOM 0 H ASP A 36 -9.586 -9.747 2.617 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.303 -11.921 4.589 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.976 -9.864 4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.913 -10.810 3.562 1.00 0.00 H new ATOM 454 N ALA A 37 -10.102 -13.806 3.177 1.00 0.00 N ATOM 455 CA ALA A 37 -10.389 -14.931 2.297 1.00 0.00 C ATOM 456 C ALA A 37 -11.395 -15.884 2.934 1.00 0.00 C ATOM 457 O ALA A 37 -11.212 -16.330 4.067 1.00 0.00 O ATOM 458 CB ALA A 37 -9.106 -15.672 1.950 1.00 0.00 C ATOM 0 H ALA A 37 -9.823 -14.070 4.122 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.829 -14.539 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.336 -16.510 1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.419 -14.993 1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.643 -16.045 2.864 1.00 0.00 H new ATOM 464 N LYS A 38 -12.459 -16.191 2.201 1.00 0.00 N ATOM 465 CA LYS A 38 -13.496 -17.090 2.694 1.00 0.00 C ATOM 466 C LYS A 38 -13.667 -18.285 1.761 1.00 0.00 C ATOM 467 O LYS A 38 -13.761 -19.428 2.210 1.00 0.00 O ATOM 468 CB LYS A 38 -14.825 -16.344 2.833 1.00 0.00 C ATOM 469 CG LYS A 38 -15.201 -15.536 1.602 1.00 0.00 C ATOM 470 CD LYS A 38 -16.414 -14.660 1.859 1.00 0.00 C ATOM 471 CE LYS A 38 -17.709 -15.397 1.551 1.00 0.00 C ATOM 472 NZ LYS A 38 -17.964 -15.483 0.087 1.00 0.00 N ATOM 0 H LYS A 38 -12.626 -15.830 1.262 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.189 -17.456 3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.616 -17.064 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.769 -15.676 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.358 -14.913 1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.408 -16.211 0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.417 -14.337 2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.351 -13.761 1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.664 -16.402 1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.541 -14.886 2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.922 -15.853 -0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.881 -14.536 -0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.267 -16.119 -0.350 1.00 0.00 H new ATOM 486 N THR A 39 -13.707 -18.014 0.460 1.00 0.00 N ATOM 487 CA THR A 39 -13.866 -19.067 -0.536 1.00 0.00 C ATOM 488 C THR A 39 -12.724 -19.047 -1.545 1.00 0.00 C ATOM 489 O THR A 39 -12.410 -20.065 -2.161 1.00 0.00 O ATOM 490 CB THR A 39 -15.203 -18.930 -1.288 1.00 0.00 C ATOM 491 OG1 THR A 39 -15.295 -17.635 -1.892 1.00 0.00 O ATOM 492 CG2 THR A 39 -16.379 -19.140 -0.345 1.00 0.00 C ATOM 0 H THR A 39 -13.631 -17.074 0.071 1.00 0.00 H new ATOM 0 HA THR A 39 -13.855 -20.015 0.002 1.00 0.00 H new ATOM 0 HB THR A 39 -15.238 -19.695 -2.063 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.147 -17.557 -2.370 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.312 -19.038 -0.899 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.322 -20.138 0.091 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.346 -18.395 0.450 1.00 0.00 H new ATOM 500 N ALA A 40 -12.104 -17.883 -1.707 1.00 0.00 N ATOM 501 CA ALA A 40 -10.993 -17.732 -2.639 1.00 0.00 C ATOM 502 C ALA A 40 -10.132 -18.990 -2.675 1.00 0.00 C ATOM 503 O ALA A 40 -9.705 -19.432 -3.741 1.00 0.00 O ATOM 504 CB ALA A 40 -10.150 -16.522 -2.264 1.00 0.00 C ATOM 0 H ALA A 40 -12.352 -17.031 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.405 -17.578 -3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.324 -16.422 -2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.767 -15.624 -2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.754 -16.652 -1.257 1.00 0.00 H new ATOM 510 N GLY A 41 -9.880 -19.562 -1.502 1.00 0.00 N ATOM 511 CA GLY A 41 -9.070 -20.764 -1.422 1.00 0.00 C ATOM 512 C GLY A 41 -7.641 -20.473 -1.007 1.00 0.00 C ATOM 513 O GLY A 41 -7.394 -19.611 -0.163 1.00 0.00 O ATOM 0 H GLY A 41 -10.222 -19.215 -0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.519 -21.454 -0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.069 -21.263 -2.391 1.00 0.00 H new ATOM 517 N LYS A 42 -6.695 -21.193 -1.602 1.00 0.00 N ATOM 518 CA LYS A 42 -5.283 -21.009 -1.290 1.00 0.00 C ATOM 519 C LYS A 42 -4.625 -20.062 -2.288 1.00 0.00 C ATOM 520 O LYS A 42 -5.081 -19.925 -3.423 1.00 0.00 O ATOM 521 CB LYS A 42 -4.559 -22.357 -1.296 1.00 0.00 C ATOM 522 CG LYS A 42 -3.149 -22.292 -0.733 1.00 0.00 C ATOM 523 CD LYS A 42 -2.567 -23.681 -0.528 1.00 0.00 C ATOM 524 CE LYS A 42 -1.954 -24.222 -1.810 1.00 0.00 C ATOM 525 NZ LYS A 42 -0.662 -23.555 -2.133 1.00 0.00 N ATOM 0 H LYS A 42 -6.882 -21.910 -2.303 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.210 -20.569 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.140 -23.075 -0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.516 -22.733 -2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.511 -21.725 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.159 -21.757 0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.808 -23.647 0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.349 -24.357 -0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.793 -25.296 -1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.652 -24.079 -2.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.155 -24.109 -2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.847 -22.599 -2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.080 -23.490 -1.273 1.00 0.00 H new ATOM 539 N GLY A 43 -3.548 -19.411 -1.858 1.00 0.00 N ATOM 540 CA GLY A 43 -2.844 -18.486 -2.727 1.00 0.00 C ATOM 541 C GLY A 43 -2.080 -17.431 -1.952 1.00 0.00 C ATOM 542 O GLY A 43 -2.376 -17.169 -0.787 1.00 0.00 O ATOM 0 H GLY A 43 -3.151 -19.508 -0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.151 -19.042 -3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.559 -17.999 -3.390 1.00 0.00 H new ATOM 546 N LYS A 44 -1.090 -16.824 -2.601 1.00 0.00 N ATOM 547 CA LYS A 44 -0.280 -15.792 -1.966 1.00 0.00 C ATOM 548 C LYS A 44 -0.838 -14.404 -2.260 1.00 0.00 C ATOM 549 O LYS A 44 -1.452 -14.178 -3.304 1.00 0.00 O ATOM 550 CB LYS A 44 1.170 -15.883 -2.452 1.00 0.00 C ATOM 551 CG LYS A 44 2.016 -16.863 -1.658 1.00 0.00 C ATOM 552 CD LYS A 44 2.299 -16.349 -0.256 1.00 0.00 C ATOM 553 CE LYS A 44 3.172 -17.316 0.527 1.00 0.00 C ATOM 554 NZ LYS A 44 2.512 -18.639 0.705 1.00 0.00 N ATOM 0 H LYS A 44 -0.831 -17.030 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.308 -15.955 -0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.175 -16.178 -3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.626 -14.894 -2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.502 -17.822 -1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.957 -17.038 -2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.792 -15.379 -0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.358 -16.196 0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.121 -17.450 0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.401 -16.890 1.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.028 -19.191 1.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.531 -18.498 1.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.515 -19.153 -0.199 1.00 0.00 H new ATOM 568 N VAL A 45 -0.622 -13.475 -1.334 1.00 0.00 N ATOM 569 CA VAL A 45 -1.102 -12.108 -1.495 1.00 0.00 C ATOM 570 C VAL A 45 0.055 -11.115 -1.486 1.00 0.00 C ATOM 571 O VAL A 45 0.666 -10.865 -0.447 1.00 0.00 O ATOM 572 CB VAL A 45 -2.099 -11.728 -0.384 1.00 0.00 C ATOM 573 CG1 VAL A 45 -2.560 -10.289 -0.549 1.00 0.00 C ATOM 574 CG2 VAL A 45 -3.285 -12.681 -0.384 1.00 0.00 C ATOM 0 H VAL A 45 -0.117 -13.645 -0.464 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.609 -12.062 -2.459 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.594 -11.813 0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.264 -10.039 0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.699 -9.623 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.048 -10.172 -1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.979 -12.398 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.792 -12.630 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.934 -13.699 -0.212 1.00 0.00 H new ATOM 584 N THR A 46 0.350 -10.550 -2.653 1.00 0.00 N ATOM 585 CA THR A 46 1.434 -9.583 -2.780 1.00 0.00 C ATOM 586 C THR A 46 0.895 -8.184 -3.052 1.00 0.00 C ATOM 587 O THR A 46 -0.076 -8.015 -3.792 1.00 0.00 O ATOM 588 CB THR A 46 2.406 -9.975 -3.910 1.00 0.00 C ATOM 589 OG1 THR A 46 1.694 -10.104 -5.146 1.00 0.00 O ATOM 590 CG2 THR A 46 3.112 -11.283 -3.587 1.00 0.00 C ATOM 0 H THR A 46 -0.146 -10.745 -3.523 1.00 0.00 H new ATOM 0 HA THR A 46 1.971 -9.584 -1.831 1.00 0.00 H new ATOM 0 HB THR A 46 3.156 -9.189 -4.003 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.319 -10.352 -5.859 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.793 -11.539 -4.399 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.677 -11.173 -2.661 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.373 -12.076 -3.469 1.00 0.00 H new ATOM 598 N CYS A 47 1.527 -7.184 -2.450 1.00 0.00 N ATOM 599 CA CYS A 47 1.111 -5.797 -2.627 1.00 0.00 C ATOM 600 C CYS A 47 2.260 -4.947 -3.160 1.00 0.00 C ATOM 601 O CYS A 47 3.407 -5.100 -2.738 1.00 0.00 O ATOM 602 CB CYS A 47 0.605 -5.222 -1.304 1.00 0.00 C ATOM 603 SG CYS A 47 0.243 -3.451 -1.360 1.00 0.00 S ATOM 0 H CYS A 47 2.331 -7.307 -1.834 1.00 0.00 H new ATOM 0 HA CYS A 47 0.301 -5.777 -3.356 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.297 -5.757 -1.009 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.352 -5.405 -0.531 1.00 0.00 H new ATOM 0 HG CYS A 47 0.986 -2.829 -0.493 1.00 0.00 H new ATOM 609 N THR A 48 1.945 -4.051 -4.090 1.00 0.00 N ATOM 610 CA THR A 48 2.951 -3.178 -4.681 1.00 0.00 C ATOM 611 C THR A 48 2.454 -1.739 -4.759 1.00 0.00 C ATOM 612 O THR A 48 1.653 -1.394 -5.627 1.00 0.00 O ATOM 613 CB THR A 48 3.342 -3.650 -6.095 1.00 0.00 C ATOM 614 OG1 THR A 48 3.805 -5.004 -6.048 1.00 0.00 O ATOM 615 CG2 THR A 48 4.426 -2.758 -6.682 1.00 0.00 C ATOM 0 H THR A 48 1.001 -3.911 -4.450 1.00 0.00 H new ATOM 0 HA THR A 48 3.827 -3.222 -4.034 1.00 0.00 H new ATOM 0 HB THR A 48 2.460 -3.590 -6.732 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.050 -5.297 -6.950 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.686 -3.110 -7.680 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.060 -1.733 -6.743 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.309 -2.791 -6.044 1.00 0.00 H new ATOM 623 N VAL A 49 2.934 -0.902 -3.844 1.00 0.00 N ATOM 624 CA VAL A 49 2.540 0.500 -3.810 1.00 0.00 C ATOM 625 C VAL A 49 3.324 1.317 -4.830 1.00 0.00 C ATOM 626 O VAL A 49 4.533 1.509 -4.691 1.00 0.00 O ATOM 627 CB VAL A 49 2.751 1.109 -2.411 1.00 0.00 C ATOM 628 CG1 VAL A 49 2.311 2.565 -2.389 1.00 0.00 C ATOM 629 CG2 VAL A 49 2.003 0.301 -1.360 1.00 0.00 C ATOM 0 H VAL A 49 3.596 -1.172 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 49 1.479 0.536 -4.058 1.00 0.00 H new ATOM 0 HB VAL A 49 3.815 1.073 -2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.468 2.977 -1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.896 3.133 -3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.254 2.630 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.163 0.745 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.938 0.303 -1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.372 -0.725 -1.359 1.00 0.00 H new ATOM 639 N LEU A 50 2.629 1.796 -5.856 1.00 0.00 N ATOM 640 CA LEU A 50 3.261 2.594 -6.902 1.00 0.00 C ATOM 641 C LEU A 50 3.089 4.085 -6.628 1.00 0.00 C ATOM 642 O LEU A 50 1.971 4.601 -6.620 1.00 0.00 O ATOM 643 CB LEU A 50 2.667 2.243 -8.267 1.00 0.00 C ATOM 644 CG LEU A 50 3.449 2.736 -9.486 1.00 0.00 C ATOM 645 CD1 LEU A 50 4.811 2.064 -9.553 1.00 0.00 C ATOM 646 CD2 LEU A 50 2.661 2.480 -10.763 1.00 0.00 C ATOM 0 H LEU A 50 1.629 1.646 -5.986 1.00 0.00 H new ATOM 0 HA LEU A 50 4.327 2.365 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.575 1.159 -8.333 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.658 2.652 -8.318 1.00 0.00 H new ATOM 0 HG LEU A 50 3.602 3.811 -9.387 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.353 2.427 -10.426 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.377 2.298 -8.651 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.681 0.985 -9.629 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.232 2.837 -11.620 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.477 1.411 -10.869 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.709 3.009 -10.715 1.00 0.00 H new ATOM 658 N THR A 51 4.204 4.773 -6.407 1.00 0.00 N ATOM 659 CA THR A 51 4.177 6.205 -6.134 1.00 0.00 C ATOM 660 C THR A 51 3.773 6.993 -7.375 1.00 0.00 C ATOM 661 O THR A 51 4.033 6.590 -8.508 1.00 0.00 O ATOM 662 CB THR A 51 5.548 6.709 -5.644 1.00 0.00 C ATOM 663 OG1 THR A 51 6.508 6.628 -6.704 1.00 0.00 O ATOM 664 CG2 THR A 51 6.030 5.895 -4.453 1.00 0.00 C ATOM 0 H THR A 51 5.138 4.362 -6.412 1.00 0.00 H new ATOM 0 HA THR A 51 3.438 6.364 -5.349 1.00 0.00 H new ATOM 0 HB THR A 51 5.438 7.748 -5.333 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.431 5.759 -7.150 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.000 6.269 -4.125 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.312 5.983 -3.638 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.124 4.848 -4.742 1.00 0.00 H new ATOM 672 N PRO A 52 3.121 8.145 -7.157 1.00 0.00 N ATOM 673 CA PRO A 52 2.667 9.015 -8.247 1.00 0.00 C ATOM 674 C PRO A 52 3.827 9.693 -8.968 1.00 0.00 C ATOM 675 O PRO A 52 3.621 10.496 -9.878 1.00 0.00 O ATOM 676 CB PRO A 52 1.800 10.055 -7.532 1.00 0.00 C ATOM 677 CG PRO A 52 2.320 10.088 -6.137 1.00 0.00 C ATOM 678 CD PRO A 52 2.777 8.688 -5.832 1.00 0.00 C ATOM 0 HA PRO A 52 2.138 8.458 -9.021 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.881 11.032 -8.008 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.747 9.776 -7.555 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.143 10.796 -6.044 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.545 10.406 -5.439 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.636 8.683 -5.160 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.992 8.105 -5.350 1.00 0.00 H new ATOM 686 N ASP A 53 5.047 9.365 -8.557 1.00 0.00 N ATOM 687 CA ASP A 53 6.240 9.942 -9.165 1.00 0.00 C ATOM 688 C ASP A 53 6.717 9.092 -10.339 1.00 0.00 C ATOM 689 O ASP A 53 7.332 9.598 -11.276 1.00 0.00 O ATOM 690 CB ASP A 53 7.356 10.071 -8.127 1.00 0.00 C ATOM 691 CG ASP A 53 8.346 11.166 -8.474 1.00 0.00 C ATOM 692 OD1 ASP A 53 7.915 12.207 -9.014 1.00 0.00 O ATOM 693 OD2 ASP A 53 9.552 10.981 -8.206 1.00 0.00 O ATOM 0 H ASP A 53 5.236 8.702 -7.805 1.00 0.00 H new ATOM 0 HA ASP A 53 5.984 10.934 -9.538 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.918 10.277 -7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.884 9.121 -8.045 1.00 0.00 H new ATOM 698 N GLY A 54 6.428 7.796 -10.280 1.00 0.00 N ATOM 699 CA GLY A 54 6.835 6.895 -11.343 1.00 0.00 C ATOM 700 C GLY A 54 7.765 5.803 -10.855 1.00 0.00 C ATOM 701 O GLY A 54 8.479 5.186 -11.645 1.00 0.00 O ATOM 0 H GLY A 54 5.919 7.353 -9.515 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.950 6.441 -11.789 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.331 7.466 -12.128 1.00 0.00 H new ATOM 705 N THR A 55 7.760 5.566 -9.547 1.00 0.00 N ATOM 706 CA THR A 55 8.613 4.543 -8.953 1.00 0.00 C ATOM 707 C THR A 55 7.825 3.661 -7.992 1.00 0.00 C ATOM 708 O THR A 55 7.025 4.154 -7.197 1.00 0.00 O ATOM 709 CB THR A 55 9.801 5.170 -8.199 1.00 0.00 C ATOM 710 OG1 THR A 55 9.324 6.103 -7.222 1.00 0.00 O ATOM 711 CG2 THR A 55 10.742 5.876 -9.163 1.00 0.00 C ATOM 0 H THR A 55 7.175 6.068 -8.879 1.00 0.00 H new ATOM 0 HA THR A 55 8.993 3.934 -9.773 1.00 0.00 H new ATOM 0 HB THR A 55 10.349 4.370 -7.701 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.344 6.099 -7.217 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.573 6.311 -8.607 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.126 5.158 -9.888 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.202 6.666 -9.686 1.00 0.00 H new ATOM 719 N GLU A 56 8.056 2.354 -8.071 1.00 0.00 N ATOM 720 CA GLU A 56 7.366 1.403 -7.207 1.00 0.00 C ATOM 721 C GLU A 56 8.074 1.279 -5.860 1.00 0.00 C ATOM 722 O GLU A 56 9.289 1.445 -5.769 1.00 0.00 O ATOM 723 CB GLU A 56 7.286 0.033 -7.882 1.00 0.00 C ATOM 724 CG GLU A 56 8.601 -0.728 -7.874 1.00 0.00 C ATOM 725 CD GLU A 56 9.489 -0.368 -9.049 1.00 0.00 C ATOM 726 OE1 GLU A 56 9.044 -0.534 -10.204 1.00 0.00 O ATOM 727 OE2 GLU A 56 10.631 0.081 -8.813 1.00 0.00 O ATOM 0 H GLU A 56 8.715 1.930 -8.724 1.00 0.00 H new ATOM 0 HA GLU A 56 6.356 1.774 -7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.526 -0.566 -7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.958 0.164 -8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.132 -0.520 -6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.397 -1.799 -7.892 1.00 0.00 H new ATOM 734 N ALA A 57 7.303 0.986 -4.819 1.00 0.00 N ATOM 735 CA ALA A 57 7.854 0.837 -3.477 1.00 0.00 C ATOM 736 C ALA A 57 7.434 -0.490 -2.854 1.00 0.00 C ATOM 737 O ALA A 57 6.380 -1.033 -3.183 1.00 0.00 O ATOM 738 CB ALA A 57 7.418 1.998 -2.596 1.00 0.00 C ATOM 0 H ALA A 57 6.294 0.847 -4.878 1.00 0.00 H new ATOM 0 HA ALA A 57 8.941 0.843 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.836 1.874 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.775 2.934 -3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.330 2.019 -2.534 1.00 0.00 H new ATOM 744 N GLU A 58 8.267 -1.005 -1.956 1.00 0.00 N ATOM 745 CA GLU A 58 7.980 -2.270 -1.289 1.00 0.00 C ATOM 746 C GLU A 58 7.150 -2.045 -0.028 1.00 0.00 C ATOM 747 O GLU A 58 7.365 -1.080 0.705 1.00 0.00 O ATOM 748 CB GLU A 58 9.282 -2.991 -0.933 1.00 0.00 C ATOM 749 CG GLU A 58 10.041 -3.511 -2.143 1.00 0.00 C ATOM 750 CD GLU A 58 10.745 -2.408 -2.909 1.00 0.00 C ATOM 751 OE1 GLU A 58 11.088 -1.381 -2.287 1.00 0.00 O ATOM 752 OE2 GLU A 58 10.954 -2.571 -4.129 1.00 0.00 O ATOM 0 H GLU A 58 9.144 -0.567 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 58 7.405 -2.891 -1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.925 -2.309 -0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.055 -3.826 -0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.775 -4.248 -1.817 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.348 -4.025 -2.809 1.00 0.00 H new ATOM 759 N ALA A 59 6.202 -2.944 0.218 1.00 0.00 N ATOM 760 CA ALA A 59 5.341 -2.844 1.389 1.00 0.00 C ATOM 761 C ALA A 59 5.591 -4.000 2.353 1.00 0.00 C ATOM 762 O ALA A 59 6.250 -4.979 2.005 1.00 0.00 O ATOM 763 CB ALA A 59 3.880 -2.812 0.968 1.00 0.00 C ATOM 0 H ALA A 59 6.011 -3.749 -0.378 1.00 0.00 H new ATOM 0 HA ALA A 59 5.579 -1.915 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.248 -2.737 1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.706 -1.950 0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.638 -3.726 0.425 1.00 0.00 H new ATOM 769 N ASP A 60 5.061 -3.877 3.565 1.00 0.00 N ATOM 770 CA ASP A 60 5.227 -4.912 4.580 1.00 0.00 C ATOM 771 C ASP A 60 4.019 -5.843 4.609 1.00 0.00 C ATOM 772 O ASP A 60 2.912 -5.430 4.955 1.00 0.00 O ATOM 773 CB ASP A 60 5.431 -4.278 5.957 1.00 0.00 C ATOM 774 CG ASP A 60 6.290 -3.030 5.898 1.00 0.00 C ATOM 775 OD1 ASP A 60 7.299 -3.038 5.161 1.00 0.00 O ATOM 776 OD2 ASP A 60 5.955 -2.045 6.589 1.00 0.00 O ATOM 0 H ASP A 60 4.513 -3.072 3.869 1.00 0.00 H new ATOM 0 HA ASP A 60 6.109 -5.499 4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.461 -4.028 6.386 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.896 -5.005 6.623 1.00 0.00 H new ATOM 781 N VAL A 61 4.238 -7.101 4.242 1.00 0.00 N ATOM 782 CA VAL A 61 3.168 -8.091 4.227 1.00 0.00 C ATOM 783 C VAL A 61 3.360 -9.126 5.329 1.00 0.00 C ATOM 784 O VAL A 61 4.478 -9.574 5.586 1.00 0.00 O ATOM 785 CB VAL A 61 3.092 -8.814 2.867 1.00 0.00 C ATOM 786 CG1 VAL A 61 2.008 -9.880 2.891 1.00 0.00 C ATOM 787 CG2 VAL A 61 2.844 -7.814 1.748 1.00 0.00 C ATOM 0 H VAL A 61 5.148 -7.459 3.951 1.00 0.00 H new ATOM 0 HA VAL A 61 2.236 -7.552 4.398 1.00 0.00 H new ATOM 0 HB VAL A 61 4.047 -9.305 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.968 -10.380 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.233 -10.610 3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.045 -9.415 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.793 -8.340 0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.903 -7.294 1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.658 -7.090 1.720 1.00 0.00 H new ATOM 797 N ILE A 62 2.262 -9.501 5.977 1.00 0.00 N ATOM 798 CA ILE A 62 2.310 -10.485 7.053 1.00 0.00 C ATOM 799 C ILE A 62 1.197 -11.516 6.904 1.00 0.00 C ATOM 800 O ILE A 62 0.019 -11.167 6.850 1.00 0.00 O ATOM 801 CB ILE A 62 2.193 -9.815 8.434 1.00 0.00 C ATOM 802 CG1 ILE A 62 3.311 -8.788 8.624 1.00 0.00 C ATOM 803 CG2 ILE A 62 2.236 -10.863 9.536 1.00 0.00 C ATOM 804 CD1 ILE A 62 2.975 -7.420 8.074 1.00 0.00 C ATOM 0 H ILE A 62 1.330 -9.139 5.777 1.00 0.00 H new ATOM 0 HA ILE A 62 3.276 -10.984 6.982 1.00 0.00 H new ATOM 0 HB ILE A 62 1.236 -9.296 8.490 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.534 -8.698 9.687 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.216 -9.154 8.138 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.152 -10.374 10.507 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.408 -11.560 9.408 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.179 -11.407 9.484 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.813 -6.744 8.244 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.781 -7.496 7.004 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.089 -7.033 8.577 1.00 0.00 H new ATOM 816 N GLU A 63 1.580 -12.788 6.839 1.00 0.00 N ATOM 817 CA GLU A 63 0.613 -13.869 6.698 1.00 0.00 C ATOM 818 C GLU A 63 -0.005 -14.227 8.047 1.00 0.00 C ATOM 819 O GLU A 63 0.654 -14.150 9.083 1.00 0.00 O ATOM 820 CB GLU A 63 1.280 -15.103 6.087 1.00 0.00 C ATOM 821 CG GLU A 63 2.417 -15.659 6.927 1.00 0.00 C ATOM 822 CD GLU A 63 3.069 -16.875 6.297 1.00 0.00 C ATOM 823 OE1 GLU A 63 2.333 -17.755 5.804 1.00 0.00 O ATOM 824 OE2 GLU A 63 4.316 -16.945 6.295 1.00 0.00 O ATOM 0 H GLU A 63 2.552 -13.094 6.882 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.181 -13.527 6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.529 -15.880 5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.661 -14.847 5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.169 -14.883 7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.038 -15.925 7.914 1.00 0.00 H new ATOM 831 N ASN A 64 -1.275 -14.618 8.025 1.00 0.00 N ATOM 832 CA ASN A 64 -1.983 -14.987 9.246 1.00 0.00 C ATOM 833 C ASN A 64 -2.562 -16.394 9.135 1.00 0.00 C ATOM 834 O ASN A 64 -2.734 -16.919 8.035 1.00 0.00 O ATOM 835 CB ASN A 64 -3.101 -13.984 9.534 1.00 0.00 C ATOM 836 CG ASN A 64 -2.625 -12.811 10.367 1.00 0.00 C ATOM 837 OD1 ASN A 64 -2.948 -12.702 11.549 1.00 0.00 O ATOM 838 ND2 ASN A 64 -1.851 -11.924 9.751 1.00 0.00 N ATOM 0 H ASN A 64 -1.835 -14.688 7.175 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.269 -14.972 10.070 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.507 -13.616 8.592 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.914 -14.490 10.055 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.500 -11.113 10.260 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.608 -12.054 8.769 1.00 0.00 H new ATOM 845 N GLU A 65 -2.860 -16.998 10.280 1.00 0.00 N ATOM 846 CA GLU A 65 -3.421 -18.344 10.310 1.00 0.00 C ATOM 847 C GLU A 65 -4.805 -18.372 9.670 1.00 0.00 C ATOM 848 O GLU A 65 -5.242 -19.401 9.155 1.00 0.00 O ATOM 849 CB GLU A 65 -3.503 -18.853 11.752 1.00 0.00 C ATOM 850 CG GLU A 65 -3.886 -20.320 11.857 1.00 0.00 C ATOM 851 CD GLU A 65 -3.443 -20.945 13.165 1.00 0.00 C ATOM 852 OE1 GLU A 65 -2.249 -21.291 13.284 1.00 0.00 O ATOM 853 OE2 GLU A 65 -4.291 -21.089 14.071 1.00 0.00 O ATOM 0 H GLU A 65 -2.723 -16.577 11.199 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.763 -18.997 9.737 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.539 -18.702 12.237 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.232 -18.255 12.299 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.967 -20.417 11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.441 -20.868 11.027 1.00 0.00 H new ATOM 860 N ASP A 66 -5.491 -17.235 9.708 1.00 0.00 N ATOM 861 CA ASP A 66 -6.826 -17.127 9.131 1.00 0.00 C ATOM 862 C ASP A 66 -6.751 -16.785 7.646 1.00 0.00 C ATOM 863 O ASP A 66 -7.600 -16.067 7.120 1.00 0.00 O ATOM 864 CB ASP A 66 -7.641 -16.065 9.871 1.00 0.00 C ATOM 865 CG ASP A 66 -7.865 -16.419 11.329 1.00 0.00 C ATOM 866 OD1 ASP A 66 -8.655 -17.347 11.600 1.00 0.00 O ATOM 867 OD2 ASP A 66 -7.247 -15.768 12.197 1.00 0.00 O ATOM 0 H ASP A 66 -5.144 -16.375 10.133 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.320 -18.093 9.238 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.126 -15.106 9.808 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.605 -15.942 9.378 1.00 0.00 H new ATOM 872 N GLY A 67 -5.727 -17.304 6.976 1.00 0.00 N ATOM 873 CA GLY A 67 -5.558 -17.041 5.558 1.00 0.00 C ATOM 874 C GLY A 67 -5.699 -15.569 5.221 1.00 0.00 C ATOM 875 O GLY A 67 -6.221 -15.213 4.164 1.00 0.00 O ATOM 0 H GLY A 67 -5.011 -17.902 7.389 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.575 -17.391 5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.296 -17.612 4.995 1.00 0.00 H new ATOM 879 N THR A 68 -5.232 -14.710 6.122 1.00 0.00 N ATOM 880 CA THR A 68 -5.311 -13.269 5.916 1.00 0.00 C ATOM 881 C THR A 68 -3.922 -12.648 5.836 1.00 0.00 C ATOM 882 O THR A 68 -2.968 -13.158 6.427 1.00 0.00 O ATOM 883 CB THR A 68 -6.104 -12.584 7.045 1.00 0.00 C ATOM 884 OG1 THR A 68 -5.659 -13.064 8.319 1.00 0.00 O ATOM 885 CG2 THR A 68 -7.595 -12.840 6.892 1.00 0.00 C ATOM 0 H THR A 68 -4.795 -14.987 7.001 1.00 0.00 H new ATOM 0 HA THR A 68 -5.830 -13.112 4.970 1.00 0.00 H new ATOM 0 HB THR A 68 -5.928 -11.510 6.982 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.167 -12.622 9.031 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.134 -12.346 7.701 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.936 -12.445 5.935 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.786 -13.912 6.931 1.00 0.00 H new ATOM 893 N TYR A 69 -3.813 -11.546 5.104 1.00 0.00 N ATOM 894 CA TYR A 69 -2.537 -10.857 4.946 1.00 0.00 C ATOM 895 C TYR A 69 -2.679 -9.370 5.263 1.00 0.00 C ATOM 896 O TYR A 69 -3.537 -8.684 4.707 1.00 0.00 O ATOM 897 CB TYR A 69 -2.009 -11.037 3.522 1.00 0.00 C ATOM 898 CG TYR A 69 -1.511 -12.435 3.234 1.00 0.00 C ATOM 899 CD1 TYR A 69 -2.355 -13.532 3.346 1.00 0.00 C ATOM 900 CD2 TYR A 69 -0.194 -12.659 2.851 1.00 0.00 C ATOM 901 CE1 TYR A 69 -1.904 -14.811 3.085 1.00 0.00 C ATOM 902 CE2 TYR A 69 0.266 -13.934 2.588 1.00 0.00 C ATOM 903 CZ TYR A 69 -0.592 -15.008 2.705 1.00 0.00 C ATOM 904 OH TYR A 69 -0.138 -16.280 2.444 1.00 0.00 O ATOM 0 H TYR A 69 -4.592 -11.110 4.610 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.827 -11.295 5.648 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -2.801 -10.790 2.816 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.198 -10.329 3.352 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.383 -13.382 3.643 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.481 -11.821 2.757 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.575 -15.653 3.178 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.293 -14.090 2.292 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.877 -16.828 2.107 1.00 0.00 H new ATOM 914 N ASP A 70 -1.830 -8.880 6.160 1.00 0.00 N ATOM 915 CA ASP A 70 -1.857 -7.475 6.551 1.00 0.00 C ATOM 916 C ASP A 70 -0.790 -6.683 5.803 1.00 0.00 C ATOM 917 O ASP A 70 0.379 -7.069 5.777 1.00 0.00 O ATOM 918 CB ASP A 70 -1.648 -7.341 8.059 1.00 0.00 C ATOM 919 CG ASP A 70 -2.756 -7.997 8.860 1.00 0.00 C ATOM 920 OD1 ASP A 70 -3.167 -9.119 8.494 1.00 0.00 O ATOM 921 OD2 ASP A 70 -3.212 -7.389 9.850 1.00 0.00 O ATOM 0 H ASP A 70 -1.115 -9.435 6.630 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.834 -7.068 6.290 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.693 -7.790 8.331 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.590 -6.285 8.322 1.00 0.00 H new ATOM 926 N ILE A 71 -1.200 -5.573 5.198 1.00 0.00 N ATOM 927 CA ILE A 71 -0.278 -4.726 4.450 1.00 0.00 C ATOM 928 C ILE A 71 -0.414 -3.266 4.867 1.00 0.00 C ATOM 929 O ILE A 71 -1.523 -2.754 5.023 1.00 0.00 O ATOM 930 CB ILE A 71 -0.514 -4.840 2.932 1.00 0.00 C ATOM 931 CG1 ILE A 71 -0.341 -6.290 2.475 1.00 0.00 C ATOM 932 CG2 ILE A 71 0.437 -3.924 2.178 1.00 0.00 C ATOM 933 CD1 ILE A 71 -1.011 -6.590 1.152 1.00 0.00 C ATOM 0 H ILE A 71 -2.164 -5.239 5.211 1.00 0.00 H new ATOM 0 HA ILE A 71 0.729 -5.075 4.679 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.536 -4.529 2.713 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.723 -6.512 2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.747 -6.954 3.238 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.258 -4.016 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.270 -2.892 2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.466 -4.206 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.847 -7.635 0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.081 -6.400 1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.588 -5.951 0.377 1.00 0.00 H new ATOM 945 N PHE A 72 0.721 -2.598 5.042 1.00 0.00 N ATOM 946 CA PHE A 72 0.731 -1.195 5.438 1.00 0.00 C ATOM 947 C PHE A 72 1.623 -0.373 4.513 1.00 0.00 C ATOM 948 O PHE A 72 2.583 -0.890 3.939 1.00 0.00 O ATOM 949 CB PHE A 72 1.211 -1.055 6.885 1.00 0.00 C ATOM 950 CG PHE A 72 0.688 -2.129 7.796 1.00 0.00 C ATOM 951 CD1 PHE A 72 1.188 -3.420 7.724 1.00 0.00 C ATOM 952 CD2 PHE A 72 -0.301 -1.848 8.724 1.00 0.00 C ATOM 953 CE1 PHE A 72 0.710 -4.410 8.561 1.00 0.00 C ATOM 954 CE2 PHE A 72 -0.782 -2.835 9.564 1.00 0.00 C ATOM 955 CZ PHE A 72 -0.277 -4.118 9.482 1.00 0.00 C ATOM 0 H PHE A 72 1.647 -3.006 4.916 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.288 -0.815 5.361 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.301 -1.074 6.902 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.904 -0.082 7.269 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.960 -3.655 7.006 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.701 -0.847 8.792 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.108 -5.412 8.495 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.553 -2.603 10.284 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.653 -4.891 10.136 1.00 0.00 H new ATOM 965 N TYR A 73 1.300 0.907 4.372 1.00 0.00 N ATOM 966 CA TYR A 73 2.070 1.800 3.514 1.00 0.00 C ATOM 967 C TYR A 73 1.769 3.260 3.840 1.00 0.00 C ATOM 968 O TYR A 73 0.670 3.598 4.279 1.00 0.00 O ATOM 969 CB TYR A 73 1.760 1.519 2.043 1.00 0.00 C ATOM 970 CG TYR A 73 0.520 2.223 1.541 1.00 0.00 C ATOM 971 CD1 TYR A 73 0.538 3.580 1.247 1.00 0.00 C ATOM 972 CD2 TYR A 73 -0.670 1.529 1.358 1.00 0.00 C ATOM 973 CE1 TYR A 73 -0.594 4.227 0.788 1.00 0.00 C ATOM 974 CE2 TYR A 73 -1.806 2.167 0.899 1.00 0.00 C ATOM 975 CZ TYR A 73 -1.763 3.516 0.615 1.00 0.00 C ATOM 976 OH TYR A 73 -2.892 4.156 0.157 1.00 0.00 O ATOM 0 H TYR A 73 0.510 1.350 4.841 1.00 0.00 H new ATOM 0 HA TYR A 73 3.129 1.617 3.696 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.612 1.825 1.436 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.639 0.445 1.905 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.452 4.140 1.379 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.707 0.472 1.578 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.563 5.284 0.566 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.723 1.613 0.763 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.679 3.602 0.340 1.00 0.00 H new ATOM 986 N THR A 74 2.756 4.123 3.619 1.00 0.00 N ATOM 987 CA THR A 74 2.600 5.548 3.888 1.00 0.00 C ATOM 988 C THR A 74 2.790 6.371 2.620 1.00 0.00 C ATOM 989 O THR A 74 3.560 5.998 1.735 1.00 0.00 O ATOM 990 CB THR A 74 3.602 6.030 4.955 1.00 0.00 C ATOM 991 OG1 THR A 74 3.444 5.268 6.156 1.00 0.00 O ATOM 992 CG2 THR A 74 3.400 7.508 5.256 1.00 0.00 C ATOM 0 H THR A 74 3.672 3.860 3.255 1.00 0.00 H new ATOM 0 HA THR A 74 1.586 5.691 4.261 1.00 0.00 H new ATOM 0 HB THR A 74 4.610 5.888 4.566 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.086 5.580 6.828 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.118 7.827 6.012 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.550 8.088 4.346 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.388 7.669 5.627 1.00 0.00 H new ATOM 1000 N ALA A 75 2.083 7.493 2.537 1.00 0.00 N ATOM 1001 CA ALA A 75 2.175 8.370 1.376 1.00 0.00 C ATOM 1002 C ALA A 75 3.094 9.555 1.656 1.00 0.00 C ATOM 1003 O ALA A 75 2.654 10.589 2.159 1.00 0.00 O ATOM 1004 CB ALA A 75 0.792 8.857 0.971 1.00 0.00 C ATOM 0 H ALA A 75 1.440 7.816 3.260 1.00 0.00 H new ATOM 0 HA ALA A 75 2.602 7.798 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.876 9.511 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.164 8.002 0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.344 9.408 1.798 1.00 0.00 H new ATOM 1010 N ALA A 76 4.372 9.398 1.329 1.00 0.00 N ATOM 1011 CA ALA A 76 5.352 10.455 1.543 1.00 0.00 C ATOM 1012 C ALA A 76 4.895 11.763 0.909 1.00 0.00 C ATOM 1013 O ALA A 76 5.023 12.833 1.505 1.00 0.00 O ATOM 1014 CB ALA A 76 6.707 10.040 0.988 1.00 0.00 C ATOM 0 H ALA A 76 4.753 8.548 0.914 1.00 0.00 H new ATOM 0 HA ALA A 76 5.447 10.617 2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.429 10.839 1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.045 9.135 1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.619 9.848 -0.081 1.00 0.00 H new ATOM 1020 N LYS A 77 4.364 11.673 -0.305 1.00 0.00 N ATOM 1021 CA LYS A 77 3.887 12.850 -1.022 1.00 0.00 C ATOM 1022 C LYS A 77 2.520 12.590 -1.649 1.00 0.00 C ATOM 1023 O LYS A 77 2.175 11.459 -1.993 1.00 0.00 O ATOM 1024 CB LYS A 77 4.889 13.252 -2.107 1.00 0.00 C ATOM 1025 CG LYS A 77 6.269 13.584 -1.568 1.00 0.00 C ATOM 1026 CD LYS A 77 7.313 13.596 -2.673 1.00 0.00 C ATOM 1027 CE LYS A 77 8.717 13.423 -2.115 1.00 0.00 C ATOM 1028 NZ LYS A 77 8.979 12.017 -1.700 1.00 0.00 N ATOM 0 H LYS A 77 4.253 10.796 -0.814 1.00 0.00 H new ATOM 0 HA LYS A 77 3.789 13.665 -0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.976 12.440 -2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.501 14.117 -2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.245 14.558 -1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.550 12.853 -0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.102 12.797 -3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.252 14.535 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.446 13.721 -2.868 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.852 14.085 -1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.995 11.892 -1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.444 11.805 -0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.681 11.370 -2.458 1.00 0.00 H new ATOM 1042 N PRO A 78 1.726 13.659 -1.803 1.00 0.00 N ATOM 1043 CA PRO A 78 0.386 13.570 -2.391 1.00 0.00 C ATOM 1044 C PRO A 78 0.428 13.264 -3.884 1.00 0.00 C ATOM 1045 O PRO A 78 1.426 13.522 -4.554 1.00 0.00 O ATOM 1046 CB PRO A 78 -0.200 14.964 -2.148 1.00 0.00 C ATOM 1047 CG PRO A 78 0.985 15.860 -2.044 1.00 0.00 C ATOM 1048 CD PRO A 78 2.075 15.036 -1.416 1.00 0.00 C ATOM 0 HA PRO A 78 -0.200 12.763 -1.951 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.854 15.266 -2.966 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.797 14.989 -1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 78 1.287 16.223 -3.026 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.759 16.736 -1.436 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.059 15.321 -1.788 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.096 15.156 -0.333 1.00 0.00 H new ATOM 1056 N GLY A 79 -0.666 12.710 -4.400 1.00 0.00 N ATOM 1057 CA GLY A 79 -0.734 12.376 -5.811 1.00 0.00 C ATOM 1058 C GLY A 79 -1.594 11.157 -6.078 1.00 0.00 C ATOM 1059 O GLY A 79 -2.415 10.772 -5.246 1.00 0.00 O ATOM 0 H GLY A 79 -1.506 12.487 -3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.133 13.226 -6.364 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.273 12.196 -6.187 1.00 0.00 H new ATOM 1063 N THR A 80 -1.406 10.546 -7.244 1.00 0.00 N ATOM 1064 CA THR A 80 -2.171 9.365 -7.620 1.00 0.00 C ATOM 1065 C THR A 80 -1.366 8.091 -7.392 1.00 0.00 C ATOM 1066 O THR A 80 -0.430 7.795 -8.135 1.00 0.00 O ATOM 1067 CB THR A 80 -2.607 9.425 -9.096 1.00 0.00 C ATOM 1068 OG1 THR A 80 -3.350 10.625 -9.340 1.00 0.00 O ATOM 1069 CG2 THR A 80 -3.456 8.215 -9.460 1.00 0.00 C ATOM 0 H THR A 80 -0.730 10.851 -7.944 1.00 0.00 H new ATOM 0 HA THR A 80 -3.058 9.349 -6.986 1.00 0.00 H new ATOM 0 HB THR A 80 -1.711 9.420 -9.716 1.00 0.00 H new ATOM 0 HG1 THR A 80 -3.622 10.656 -10.281 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.752 8.280 -10.507 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.878 7.304 -9.302 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.347 8.193 -8.832 1.00 0.00 H new ATOM 1077 N TYR A 81 -1.735 7.341 -6.360 1.00 0.00 N ATOM 1078 CA TYR A 81 -1.044 6.098 -6.033 1.00 0.00 C ATOM 1079 C TYR A 81 -1.738 4.903 -6.679 1.00 0.00 C ATOM 1080 O TYR A 81 -2.966 4.836 -6.731 1.00 0.00 O ATOM 1081 CB TYR A 81 -0.985 5.908 -4.516 1.00 0.00 C ATOM 1082 CG TYR A 81 0.087 6.735 -3.844 1.00 0.00 C ATOM 1083 CD1 TYR A 81 -0.098 8.093 -3.612 1.00 0.00 C ATOM 1084 CD2 TYR A 81 1.286 6.160 -3.442 1.00 0.00 C ATOM 1085 CE1 TYR A 81 0.879 8.852 -2.998 1.00 0.00 C ATOM 1086 CE2 TYR A 81 2.268 6.911 -2.826 1.00 0.00 C ATOM 1087 CZ TYR A 81 2.061 8.258 -2.607 1.00 0.00 C ATOM 1088 OH TYR A 81 3.037 9.010 -1.996 1.00 0.00 O ATOM 0 H TYR A 81 -2.508 7.571 -5.735 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.029 6.162 -6.425 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.953 6.167 -4.088 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.811 4.855 -4.297 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.021 8.563 -3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.453 5.107 -3.614 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.718 9.906 -2.825 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.193 6.447 -2.517 1.00 0.00 H new ATOM 0 HH TYR A 81 2.970 9.940 -2.297 1.00 0.00 H new ATOM 1098 N VAL A 82 -0.941 3.961 -7.172 1.00 0.00 N ATOM 1099 CA VAL A 82 -1.476 2.766 -7.814 1.00 0.00 C ATOM 1100 C VAL A 82 -0.969 1.501 -7.131 1.00 0.00 C ATOM 1101 O VAL A 82 0.216 1.177 -7.203 1.00 0.00 O ATOM 1102 CB VAL A 82 -1.100 2.716 -9.307 1.00 0.00 C ATOM 1103 CG1 VAL A 82 -1.603 1.427 -9.941 1.00 0.00 C ATOM 1104 CG2 VAL A 82 -1.654 3.931 -10.037 1.00 0.00 C ATOM 0 H VAL A 82 0.078 4.002 -7.139 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.561 2.815 -7.721 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.013 2.735 -9.391 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.328 1.409 -10.996 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.154 0.573 -9.434 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.688 1.375 -9.848 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.379 3.879 -11.090 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.740 3.946 -9.946 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.240 4.839 -9.598 1.00 0.00 H new ATOM 1114 N ILE A 83 -1.875 0.790 -6.469 1.00 0.00 N ATOM 1115 CA ILE A 83 -1.520 -0.442 -5.774 1.00 0.00 C ATOM 1116 C ILE A 83 -1.877 -1.667 -6.609 1.00 0.00 C ATOM 1117 O ILE A 83 -2.917 -1.701 -7.266 1.00 0.00 O ATOM 1118 CB ILE A 83 -2.226 -0.541 -4.409 1.00 0.00 C ATOM 1119 CG1 ILE A 83 -1.839 0.645 -3.522 1.00 0.00 C ATOM 1120 CG2 ILE A 83 -1.877 -1.855 -3.726 1.00 0.00 C ATOM 1121 CD1 ILE A 83 -2.904 1.017 -2.514 1.00 0.00 C ATOM 0 H ILE A 83 -2.860 1.045 -6.399 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.442 -0.416 -5.615 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.303 -0.513 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.916 0.407 -2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.630 1.508 -4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.384 -1.910 -2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.198 -2.687 -4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.799 -1.910 -3.573 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.562 1.865 -1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.822 1.287 -3.037 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.096 0.168 -1.858 1.00 0.00 H new ATOM 1133 N TYR A 84 -1.007 -2.671 -6.576 1.00 0.00 N ATOM 1134 CA TYR A 84 -1.230 -3.899 -7.330 1.00 0.00 C ATOM 1135 C TYR A 84 -1.424 -5.087 -6.393 1.00 0.00 C ATOM 1136 O TYR A 84 -0.481 -5.544 -5.748 1.00 0.00 O ATOM 1137 CB TYR A 84 -0.054 -4.165 -8.272 1.00 0.00 C ATOM 1138 CG TYR A 84 0.176 -3.061 -9.280 1.00 0.00 C ATOM 1139 CD1 TYR A 84 -0.833 -2.668 -10.150 1.00 0.00 C ATOM 1140 CD2 TYR A 84 1.402 -2.413 -9.362 1.00 0.00 C ATOM 1141 CE1 TYR A 84 -0.627 -1.660 -11.073 1.00 0.00 C ATOM 1142 CE2 TYR A 84 1.616 -1.404 -10.281 1.00 0.00 C ATOM 1143 CZ TYR A 84 0.598 -1.031 -11.134 1.00 0.00 C ATOM 1144 OH TYR A 84 0.808 -0.028 -12.052 1.00 0.00 O ATOM 0 H TYR A 84 -0.142 -2.658 -6.036 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.138 -3.773 -7.920 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.851 -4.300 -7.680 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.229 -5.100 -8.804 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.794 -3.158 -10.104 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.201 -2.703 -8.696 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.422 -1.367 -11.743 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.575 -0.910 -10.331 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.053 0.275 -12.408 1.00 0.00 H new ATOM 1154 N VAL A 85 -2.656 -5.581 -6.322 1.00 0.00 N ATOM 1155 CA VAL A 85 -2.976 -6.717 -5.466 1.00 0.00 C ATOM 1156 C VAL A 85 -3.438 -7.913 -6.289 1.00 0.00 C ATOM 1157 O VAL A 85 -4.168 -7.762 -7.269 1.00 0.00 O ATOM 1158 CB VAL A 85 -4.070 -6.358 -4.443 1.00 0.00 C ATOM 1159 CG1 VAL A 85 -4.303 -7.514 -3.483 1.00 0.00 C ATOM 1160 CG2 VAL A 85 -3.696 -5.093 -3.685 1.00 0.00 C ATOM 0 H VAL A 85 -3.449 -5.212 -6.847 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.062 -6.979 -4.933 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.999 -6.171 -4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.079 -7.242 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.618 -8.394 -4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.379 -7.735 -2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.480 -4.854 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.755 -5.250 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.584 -4.267 -4.388 1.00 0.00 H new ATOM 1170 N ARG A 86 -3.007 -9.104 -5.886 1.00 0.00 N ATOM 1171 CA ARG A 86 -3.377 -10.329 -6.587 1.00 0.00 C ATOM 1172 C ARG A 86 -3.479 -11.502 -5.616 1.00 0.00 C ATOM 1173 O ARG A 86 -3.046 -11.410 -4.467 1.00 0.00 O ATOM 1174 CB ARG A 86 -2.354 -10.644 -7.679 1.00 0.00 C ATOM 1175 CG ARG A 86 -0.977 -10.998 -7.141 1.00 0.00 C ATOM 1176 CD ARG A 86 0.116 -10.663 -8.144 1.00 0.00 C ATOM 1177 NE ARG A 86 0.597 -9.292 -7.991 1.00 0.00 N ATOM 1178 CZ ARG A 86 1.200 -8.612 -8.960 1.00 0.00 C ATOM 1179 NH1 ARG A 86 1.394 -9.174 -10.146 1.00 0.00 N ATOM 1180 NH2 ARG A 86 1.610 -7.369 -8.744 1.00 0.00 N ATOM 0 H ARG A 86 -2.401 -9.247 -5.078 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.353 -10.175 -7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.723 -11.473 -8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.265 -9.783 -8.341 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.798 -10.457 -6.212 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.940 -12.061 -6.903 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.948 -11.355 -8.018 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.265 -10.803 -9.156 1.00 0.00 H new ATOM 0 HE ARG A 86 0.462 -8.832 -7.091 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.080 -10.130 -10.315 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.857 -8.650 -10.889 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.462 -6.934 -7.833 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.073 -6.848 -9.489 1.00 0.00 H new ATOM 1194 N PHE A 87 -4.055 -12.604 -6.086 1.00 0.00 N ATOM 1195 CA PHE A 87 -4.215 -13.794 -5.260 1.00 0.00 C ATOM 1196 C PHE A 87 -3.784 -15.045 -6.019 1.00 0.00 C ATOM 1197 O PHE A 87 -4.418 -15.441 -6.995 1.00 0.00 O ATOM 1198 CB PHE A 87 -5.670 -13.935 -4.807 1.00 0.00 C ATOM 1199 CG PHE A 87 -5.896 -15.081 -3.864 1.00 0.00 C ATOM 1200 CD1 PHE A 87 -5.518 -14.986 -2.534 1.00 0.00 C ATOM 1201 CD2 PHE A 87 -6.488 -16.253 -4.306 1.00 0.00 C ATOM 1202 CE1 PHE A 87 -5.724 -16.039 -1.664 1.00 0.00 C ATOM 1203 CE2 PHE A 87 -6.697 -17.310 -3.440 1.00 0.00 C ATOM 1204 CZ PHE A 87 -6.316 -17.203 -2.117 1.00 0.00 C ATOM 0 H PHE A 87 -4.418 -12.697 -7.035 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.577 -13.685 -4.383 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.983 -13.010 -4.323 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.304 -14.066 -5.684 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.057 -14.078 -2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.790 -16.342 -5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.423 -15.953 -0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.158 -18.219 -3.798 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.480 -18.027 -1.438 1.00 0.00 H new ATOM 1214 N GLY A 88 -2.699 -15.663 -5.563 1.00 0.00 N ATOM 1215 CA GLY A 88 -2.199 -16.862 -6.211 1.00 0.00 C ATOM 1216 C GLY A 88 -1.792 -16.617 -7.650 1.00 0.00 C ATOM 1217 O GLY A 88 -2.002 -17.467 -8.515 1.00 0.00 O ATOM 0 H GLY A 88 -2.157 -15.355 -4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.342 -17.242 -5.654 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.967 -17.635 -6.181 1.00 0.00 H new ATOM 1221 N GLY A 89 -1.211 -15.450 -7.908 1.00 0.00 N ATOM 1222 CA GLY A 89 -0.785 -15.115 -9.255 1.00 0.00 C ATOM 1223 C GLY A 89 -1.935 -14.655 -10.130 1.00 0.00 C ATOM 1224 O GLY A 89 -1.928 -14.872 -11.341 1.00 0.00 O ATOM 0 H GLY A 89 -1.027 -14.730 -7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.031 -14.330 -9.209 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.312 -15.985 -9.710 1.00 0.00 H new ATOM 1228 N VAL A 90 -2.928 -14.021 -9.514 1.00 0.00 N ATOM 1229 CA VAL A 90 -4.091 -13.530 -10.244 1.00 0.00 C ATOM 1230 C VAL A 90 -4.495 -12.142 -9.762 1.00 0.00 C ATOM 1231 O VAL A 90 -4.882 -11.961 -8.607 1.00 0.00 O ATOM 1232 CB VAL A 90 -5.291 -14.483 -10.093 1.00 0.00 C ATOM 1233 CG1 VAL A 90 -6.515 -13.915 -10.795 1.00 0.00 C ATOM 1234 CG2 VAL A 90 -4.947 -15.862 -10.636 1.00 0.00 C ATOM 0 H VAL A 90 -2.950 -13.835 -8.511 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.807 -13.479 -11.295 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.523 -14.582 -9.033 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.353 -14.602 -10.678 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.772 -12.951 -10.356 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.298 -13.784 -11.855 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.806 -16.523 -10.521 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.688 -15.783 -11.692 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.100 -16.269 -10.084 1.00 0.00 H new ATOM 1244 N ASP A 91 -4.404 -11.162 -10.655 1.00 0.00 N ATOM 1245 CA ASP A 91 -4.762 -9.788 -10.323 1.00 0.00 C ATOM 1246 C ASP A 91 -6.271 -9.647 -10.148 1.00 0.00 C ATOM 1247 O ASP A 91 -7.021 -9.630 -11.125 1.00 0.00 O ATOM 1248 CB ASP A 91 -4.272 -8.833 -11.413 1.00 0.00 C ATOM 1249 CG ASP A 91 -4.249 -7.390 -10.949 1.00 0.00 C ATOM 1250 OD1 ASP A 91 -3.670 -7.119 -9.875 1.00 0.00 O ATOM 1251 OD2 ASP A 91 -4.810 -6.529 -11.660 1.00 0.00 O ATOM 0 H ASP A 91 -4.085 -11.294 -11.615 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.279 -9.530 -9.381 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.270 -9.127 -11.727 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.918 -8.921 -12.287 1.00 0.00 H new ATOM 1256 N ILE A 92 -6.710 -9.548 -8.897 1.00 0.00 N ATOM 1257 CA ILE A 92 -8.128 -9.409 -8.594 1.00 0.00 C ATOM 1258 C ILE A 92 -8.819 -8.497 -9.603 1.00 0.00 C ATOM 1259 O ILE A 92 -8.192 -7.658 -10.249 1.00 0.00 O ATOM 1260 CB ILE A 92 -8.350 -8.848 -7.177 1.00 0.00 C ATOM 1261 CG1 ILE A 92 -7.352 -7.724 -6.889 1.00 0.00 C ATOM 1262 CG2 ILE A 92 -8.221 -9.957 -6.144 1.00 0.00 C ATOM 1263 CD1 ILE A 92 -7.410 -7.217 -5.464 1.00 0.00 C ATOM 0 H ILE A 92 -6.103 -9.562 -8.077 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.562 -10.407 -8.652 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.358 -8.437 -7.117 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.344 -8.081 -7.099 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.544 -6.895 -7.570 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.380 -9.546 -5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.966 -10.727 -6.342 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.224 -10.393 -6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.676 -6.422 -5.331 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.407 -6.829 -5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.188 -8.034 -4.778 1.00 0.00 H new ATOM 1275 N PRO A 93 -10.143 -8.663 -9.741 1.00 0.00 N ATOM 1276 CA PRO A 93 -10.948 -7.862 -10.668 1.00 0.00 C ATOM 1277 C PRO A 93 -11.078 -6.411 -10.218 1.00 0.00 C ATOM 1278 O PRO A 93 -11.761 -5.612 -10.858 1.00 0.00 O ATOM 1279 CB PRO A 93 -12.313 -8.555 -10.641 1.00 0.00 C ATOM 1280 CG PRO A 93 -12.368 -9.233 -9.316 1.00 0.00 C ATOM 1281 CD PRO A 93 -10.955 -9.645 -9.004 1.00 0.00 C ATOM 0 HA PRO A 93 -10.499 -7.812 -11.660 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.124 -7.836 -10.751 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.409 -9.272 -11.457 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.757 -8.562 -8.550 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.029 -10.099 -9.348 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.753 -9.610 -7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -10.751 -10.664 -9.334 1.00 0.00 H new ATOM 1289 N ASN A 94 -10.418 -6.077 -9.114 1.00 0.00 N ATOM 1290 CA ASN A 94 -10.460 -4.721 -8.579 1.00 0.00 C ATOM 1291 C ASN A 94 -9.128 -4.009 -8.796 1.00 0.00 C ATOM 1292 O ASN A 94 -8.999 -2.815 -8.525 1.00 0.00 O ATOM 1293 CB ASN A 94 -10.799 -4.750 -7.087 1.00 0.00 C ATOM 1294 CG ASN A 94 -11.949 -5.687 -6.773 1.00 0.00 C ATOM 1295 OD1 ASN A 94 -11.788 -6.662 -6.040 1.00 0.00 O ATOM 1296 ND2 ASN A 94 -13.119 -5.392 -7.329 1.00 0.00 N ATOM 0 H ASN A 94 -9.848 -6.727 -8.572 1.00 0.00 H new ATOM 0 HA ASN A 94 -11.236 -4.171 -9.111 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -9.919 -5.058 -6.523 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.053 -3.743 -6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.931 -5.985 -7.154 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -13.206 -4.573 -7.930 1.00 0.00 H new ATOM 1303 N SER A 95 -8.139 -4.750 -9.286 1.00 0.00 N ATOM 1304 CA SER A 95 -6.816 -4.191 -9.536 1.00 0.00 C ATOM 1305 C SER A 95 -6.727 -3.621 -10.948 1.00 0.00 C ATOM 1306 O SER A 95 -7.332 -4.130 -11.892 1.00 0.00 O ATOM 1307 CB SER A 95 -5.741 -5.262 -9.337 1.00 0.00 C ATOM 1308 OG SER A 95 -4.486 -4.821 -9.826 1.00 0.00 O ATOM 0 H SER A 95 -8.229 -5.739 -9.518 1.00 0.00 H new ATOM 0 HA SER A 95 -6.649 -3.382 -8.825 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.657 -5.505 -8.278 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.035 -6.177 -9.852 1.00 0.00 H new ATOM 0 HG SER A 95 -3.787 -5.447 -9.545 1.00 0.00 H new ATOM 1314 N PRO A 96 -5.953 -2.535 -11.098 1.00 0.00 N ATOM 1315 CA PRO A 96 -5.229 -1.919 -9.982 1.00 0.00 C ATOM 1316 C PRO A 96 -6.164 -1.235 -8.990 1.00 0.00 C ATOM 1317 O PRO A 96 -7.379 -1.205 -9.188 1.00 0.00 O ATOM 1318 CB PRO A 96 -4.331 -0.885 -10.669 1.00 0.00 C ATOM 1319 CG PRO A 96 -5.034 -0.559 -11.942 1.00 0.00 C ATOM 1320 CD PRO A 96 -5.726 -1.825 -12.368 1.00 0.00 C ATOM 0 HA PRO A 96 -4.682 -2.657 -9.395 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.203 0.002 -10.049 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.336 -1.288 -10.858 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.752 0.248 -11.796 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.329 -0.225 -12.703 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.663 -1.616 -12.884 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.109 -2.410 -13.050 1.00 0.00 H new ATOM 1328 N PHE A 97 -5.592 -0.688 -7.924 1.00 0.00 N ATOM 1329 CA PHE A 97 -6.375 -0.006 -6.901 1.00 0.00 C ATOM 1330 C PHE A 97 -6.107 1.497 -6.922 1.00 0.00 C ATOM 1331 O PHE A 97 -5.088 1.965 -6.412 1.00 0.00 O ATOM 1332 CB PHE A 97 -6.052 -0.573 -5.517 1.00 0.00 C ATOM 1333 CG PHE A 97 -6.923 -1.732 -5.126 1.00 0.00 C ATOM 1334 CD1 PHE A 97 -7.079 -2.816 -5.975 1.00 0.00 C ATOM 1335 CD2 PHE A 97 -7.587 -1.737 -3.910 1.00 0.00 C ATOM 1336 CE1 PHE A 97 -7.880 -3.884 -5.618 1.00 0.00 C ATOM 1337 CE2 PHE A 97 -8.389 -2.802 -3.547 1.00 0.00 C ATOM 1338 CZ PHE A 97 -8.537 -3.877 -4.403 1.00 0.00 C ATOM 0 H PHE A 97 -4.588 -0.704 -7.746 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.430 -0.173 -7.117 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.009 -0.890 -5.497 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.159 0.218 -4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.569 -2.826 -6.927 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.476 -0.899 -3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -7.992 -4.723 -6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -8.900 -2.794 -2.595 1.00 0.00 H new ATOM 0 HZ PHE A 97 -9.165 -4.710 -4.123 1.00 0.00 H new ATOM 1348 N THR A 98 -7.028 2.248 -7.518 1.00 0.00 N ATOM 1349 CA THR A 98 -6.891 3.696 -7.607 1.00 0.00 C ATOM 1350 C THR A 98 -6.973 4.343 -6.229 1.00 0.00 C ATOM 1351 O THR A 98 -7.958 4.174 -5.511 1.00 0.00 O ATOM 1352 CB THR A 98 -7.977 4.307 -8.514 1.00 0.00 C ATOM 1353 OG1 THR A 98 -8.034 3.599 -9.756 1.00 0.00 O ATOM 1354 CG2 THR A 98 -7.697 5.779 -8.776 1.00 0.00 C ATOM 0 H THR A 98 -7.876 1.877 -7.946 1.00 0.00 H new ATOM 0 HA THR A 98 -5.911 3.895 -8.040 1.00 0.00 H new ATOM 0 HB THR A 98 -8.936 4.221 -8.003 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.728 3.993 -10.325 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.476 6.189 -9.418 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.684 6.321 -7.830 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.730 5.884 -9.267 1.00 0.00 H new ATOM 1362 N VAL A 99 -5.931 5.086 -5.867 1.00 0.00 N ATOM 1363 CA VAL A 99 -5.886 5.760 -4.574 1.00 0.00 C ATOM 1364 C VAL A 99 -5.315 7.166 -4.709 1.00 0.00 C ATOM 1365 O VAL A 99 -4.213 7.353 -5.225 1.00 0.00 O ATOM 1366 CB VAL A 99 -5.042 4.969 -3.558 1.00 0.00 C ATOM 1367 CG1 VAL A 99 -4.875 5.762 -2.270 1.00 0.00 C ATOM 1368 CG2 VAL A 99 -5.673 3.613 -3.281 1.00 0.00 C ATOM 0 H VAL A 99 -5.108 5.236 -6.450 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.912 5.821 -4.212 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.053 4.803 -3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.276 5.187 -1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.375 6.706 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.855 5.962 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.063 3.068 -2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.675 3.754 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.734 3.044 -4.209 1.00 0.00 H new ATOM 1378 N MET A 100 -6.070 8.154 -4.240 1.00 0.00 N ATOM 1379 CA MET A 100 -5.638 9.544 -4.306 1.00 0.00 C ATOM 1380 C MET A 100 -5.118 10.017 -2.952 1.00 0.00 C ATOM 1381 O MET A 100 -5.851 10.024 -1.964 1.00 0.00 O ATOM 1382 CB MET A 100 -6.791 10.439 -4.763 1.00 0.00 C ATOM 1383 CG MET A 100 -6.378 11.878 -5.027 1.00 0.00 C ATOM 1384 SD MET A 100 -7.777 12.939 -5.436 1.00 0.00 S ATOM 1385 CE MET A 100 -7.149 13.783 -6.885 1.00 0.00 C ATOM 0 H MET A 100 -6.985 8.017 -3.810 1.00 0.00 H new ATOM 0 HA MET A 100 -4.827 9.611 -5.031 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.225 10.022 -5.672 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.572 10.428 -4.003 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.872 12.274 -4.146 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.658 11.901 -5.845 1.00 0.00 H new ATOM 0 HE1 MET A 100 -7.903 14.477 -7.257 1.00 0.00 H new ATOM 0 HE2 MET A 100 -6.246 14.334 -6.622 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.915 13.052 -7.659 1.00 0.00 H new ATOM 1395 N ALA A 101 -3.849 10.411 -2.914 1.00 0.00 N ATOM 1396 CA ALA A 101 -3.233 10.887 -1.682 1.00 0.00 C ATOM 1397 C ALA A 101 -3.363 12.401 -1.553 1.00 0.00 C ATOM 1398 O ALA A 101 -2.743 13.154 -2.303 1.00 0.00 O ATOM 1399 CB ALA A 101 -1.770 10.474 -1.631 1.00 0.00 C ATOM 0 H ALA A 101 -3.228 10.410 -3.723 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.757 10.431 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.322 10.836 -0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.697 9.387 -1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.241 10.903 -2.482 1.00 0.00 H new ATOM 1405 N THR A 102 -4.173 12.841 -0.595 1.00 0.00 N ATOM 1406 CA THR A 102 -4.386 14.265 -0.368 1.00 0.00 C ATOM 1407 C THR A 102 -3.531 14.770 0.789 1.00 0.00 C ATOM 1408 O THR A 102 -3.335 14.069 1.781 1.00 0.00 O ATOM 1409 CB THR A 102 -5.865 14.572 -0.071 1.00 0.00 C ATOM 1410 OG1 THR A 102 -6.373 13.646 0.897 1.00 0.00 O ATOM 1411 CG2 THR A 102 -6.699 14.494 -1.341 1.00 0.00 C ATOM 0 H THR A 102 -4.692 12.231 0.036 1.00 0.00 H new ATOM 0 HA THR A 102 -4.094 14.779 -1.284 1.00 0.00 H new ATOM 0 HB THR A 102 -5.930 15.585 0.326 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.314 13.849 1.082 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.740 14.715 -1.107 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.328 15.220 -2.065 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.627 13.492 -1.763 1.00 0.00 H new