USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 802 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 106 LYS NZ :NH3+ 143:sc= 0.827 (180deg=0.0341) USER MOD Set 1.2: A 110 THR OG1 : rot 75:sc= 1.67 USER MOD Single : A 10 LYS NZ :NH3+ -149:sc= -1.85 (180deg=-2.79!) USER MOD Single : A 15 CYS SG : rot 65:sc= -1.59! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -166:sc= 0 (180deg=-0.249) USER MOD Single : A 20 THR OG1 : rot 77:sc= 0.873 USER MOD Single : A 22 MET CE :methyl -115:sc= -2.68 (180deg=-5.32!) USER MOD Single : A 24 THR OG1 : rot -2:sc= 1.12 USER MOD Single : A 25 HIS : no HD1:sc= 0.021 K(o=0.021,f=-0.98) USER MOD Single : A 36 ASN :FLIP amide:sc= -2.58! C(o=-5.1!,f=-2.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0137 USER MOD Single : A 44 LYS NZ :NH3+ -161:sc= -0.0326 (180deg=-0.531) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0211) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 165:sc= -0.079 (180deg=-0.57) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 69:sc= 0.667 USER MOD Single : A 59 LYS NZ :NH3+ -134:sc= 0.407 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -48:sc= -0.671 USER MOD Single : A 64 GLN : amide:sc= -0.243 K(o=-0.24,f=-2.4!) USER MOD Single : A 65 TYR OH : rot 1:sc= -0.0682 USER MOD Single : A 67 ASN : amide:sc= -3.69 X(o=-3.7,f=-3.9!) USER MOD Single : A 70 THR OG1 : rot -47:sc= -0.569 USER MOD Single : A 81 ASN : amide:sc= -4.65 K(o=-4.7,f=-17!) USER MOD Single : A 82 CYS SG : rot 148:sc= 1.18 USER MOD Single : A 84 THR OG1 : rot 71:sc= 0.0465 USER MOD Single : A 86 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.22) USER MOD Single : A 90 SER OG : rot -68:sc= 0.454 USER MOD Single : A 97 HIS : no HD1:sc=-0.00095 X(o=-0.00095,f=-0.08) USER MOD Single : A 98 ASN : amide:sc= 0.218 K(o=0.22,f=-1.9!) USER MOD Single : A 99 MET CE :methyl 136:sc= -0.27 (180deg=-3.17) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= -0.688 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N LYS A 10 -1.863 18.597 9.924 1.00 0.00 N ATOM 90 CA LYS A 10 -3.257 18.303 9.612 1.00 0.00 C ATOM 91 C LYS A 10 -3.359 17.312 8.457 1.00 0.00 C ATOM 92 O LYS A 10 -4.062 16.306 8.551 1.00 0.00 O ATOM 93 CB LYS A 10 -4.004 19.591 9.260 1.00 0.00 C ATOM 94 CG LYS A 10 -5.348 19.352 8.593 1.00 0.00 C ATOM 95 CD LYS A 10 -6.374 18.820 9.580 1.00 0.00 C ATOM 96 CE LYS A 10 -7.769 18.797 8.976 1.00 0.00 C ATOM 97 NZ LYS A 10 -8.056 17.504 8.294 1.00 0.00 N ATOM 0 HA LYS A 10 -3.714 17.854 10.494 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.157 20.172 10.169 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.381 20.193 8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.710 20.283 8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.228 18.643 7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.094 17.813 9.890 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.375 19.441 10.476 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.507 18.966 9.760 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.869 19.615 8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.705 17.668 7.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.169 17.094 7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.495 16.846 8.969 1.00 0.00 H new ATOM 111 N ASP A 11 -2.651 17.602 7.371 1.00 0.00 N ATOM 112 CA ASP A 11 -2.660 16.735 6.199 1.00 0.00 C ATOM 113 C ASP A 11 -2.237 15.317 6.569 1.00 0.00 C ATOM 114 O ASP A 11 -2.883 14.343 6.180 1.00 0.00 O ATOM 115 CB ASP A 11 -1.732 17.292 5.118 1.00 0.00 C ATOM 116 CG ASP A 11 -1.633 18.805 5.164 1.00 0.00 C ATOM 117 OD1 ASP A 11 -2.665 19.473 4.950 1.00 0.00 O ATOM 118 OD2 ASP A 11 -0.522 19.319 5.414 1.00 0.00 O ATOM 0 H ASP A 11 -2.064 18.431 7.278 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.678 16.702 5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.738 16.862 5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.095 16.984 4.137 1.00 0.00 H new ATOM 123 N LEU A 12 -1.147 15.208 7.320 1.00 0.00 N ATOM 124 CA LEU A 12 -0.635 13.909 7.742 1.00 0.00 C ATOM 125 C LEU A 12 -1.689 13.139 8.532 1.00 0.00 C ATOM 126 O LEU A 12 -1.804 11.920 8.409 1.00 0.00 O ATOM 127 CB LEU A 12 0.626 14.086 8.590 1.00 0.00 C ATOM 128 CG LEU A 12 1.924 14.327 7.819 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.295 13.101 7.000 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.792 15.550 6.922 1.00 0.00 C ATOM 0 H LEU A 12 -0.600 16.004 7.649 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.387 13.336 6.848 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.469 14.924 9.269 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.753 13.196 9.207 1.00 0.00 H new ATOM 0 HG LEU A 12 2.722 14.512 8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.221 13.292 6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.432 12.248 7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.498 12.883 6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.725 15.707 6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.981 15.393 6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.575 16.427 7.532 1.00 0.00 H new ATOM 142 N ALA A 13 -2.457 13.860 9.343 1.00 0.00 N ATOM 143 CA ALA A 13 -3.504 13.246 10.150 1.00 0.00 C ATOM 144 C ALA A 13 -4.490 12.477 9.277 1.00 0.00 C ATOM 145 O ALA A 13 -4.818 11.324 9.560 1.00 0.00 O ATOM 146 CB ALA A 13 -4.232 14.305 10.965 1.00 0.00 C ATOM 0 H ALA A 13 -2.373 14.870 9.458 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.034 12.538 10.832 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.011 13.832 11.563 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.524 14.808 11.624 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.683 15.035 10.293 1.00 0.00 H new ATOM 152 N LEU A 14 -4.960 13.122 8.215 1.00 0.00 N ATOM 153 CA LEU A 14 -5.910 12.499 7.300 1.00 0.00 C ATOM 154 C LEU A 14 -5.304 11.261 6.645 1.00 0.00 C ATOM 155 O LEU A 14 -5.923 10.197 6.616 1.00 0.00 O ATOM 156 CB LEU A 14 -6.344 13.498 6.225 1.00 0.00 C ATOM 157 CG LEU A 14 -7.025 14.771 6.728 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.183 15.774 5.596 1.00 0.00 C ATOM 159 CD2 LEU A 14 -8.376 14.444 7.347 1.00 0.00 C ATOM 0 H LEU A 14 -4.699 14.076 7.966 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.783 12.192 7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.465 13.784 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.025 12.992 5.541 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.395 15.218 7.497 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.670 16.674 5.972 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.201 16.032 5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.792 15.337 4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.846 15.362 7.700 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.014 13.973 6.599 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.236 13.762 8.186 1.00 0.00 H new ATOM 171 N CYS A 15 -4.092 11.408 6.124 1.00 0.00 N ATOM 172 CA CYS A 15 -3.401 10.302 5.471 1.00 0.00 C ATOM 173 C CYS A 15 -3.522 9.024 6.294 1.00 0.00 C ATOM 174 O CYS A 15 -3.691 7.934 5.746 1.00 0.00 O ATOM 175 CB CYS A 15 -1.926 10.648 5.258 1.00 0.00 C ATOM 176 SG CYS A 15 -1.653 12.153 4.294 1.00 0.00 S ATOM 0 H CYS A 15 -3.567 12.282 6.141 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.871 10.135 4.502 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.446 10.760 6.230 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.437 9.814 4.755 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.098 13.179 4.957 1.00 0.00 H new ATOM 182 N SER A 16 -3.434 9.165 7.613 1.00 0.00 N ATOM 183 CA SER A 16 -3.528 8.020 8.512 1.00 0.00 C ATOM 184 C SER A 16 -4.872 7.315 8.354 1.00 0.00 C ATOM 185 O SER A 16 -4.958 6.092 8.452 1.00 0.00 O ATOM 186 CB SER A 16 -3.341 8.468 9.963 1.00 0.00 C ATOM 187 OG SER A 16 -3.465 7.374 10.854 1.00 0.00 O ATOM 0 H SER A 16 -3.298 10.060 8.083 1.00 0.00 H new ATOM 0 HA SER A 16 -2.736 7.318 8.251 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.360 8.928 10.081 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.082 9.228 10.210 1.00 0.00 H new ATOM 0 HG SER A 16 -3.340 7.686 11.775 1.00 0.00 H new ATOM 193 N MET A 17 -5.918 8.098 8.110 1.00 0.00 N ATOM 194 CA MET A 17 -7.259 7.549 7.938 1.00 0.00 C ATOM 195 C MET A 17 -7.335 6.685 6.683 1.00 0.00 C ATOM 196 O MET A 17 -7.576 5.480 6.762 1.00 0.00 O ATOM 197 CB MET A 17 -8.289 8.677 7.859 1.00 0.00 C ATOM 198 CG MET A 17 -8.131 9.722 8.952 1.00 0.00 C ATOM 199 SD MET A 17 -9.679 10.565 9.335 1.00 0.00 S ATOM 200 CE MET A 17 -10.192 11.088 7.701 1.00 0.00 C ATOM 0 H MET A 17 -5.863 9.113 8.027 1.00 0.00 H new ATOM 0 HA MET A 17 -7.483 6.924 8.802 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.208 9.164 6.887 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.290 8.249 7.919 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.749 9.244 9.854 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.388 10.457 8.642 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.989 11.826 7.789 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.344 11.530 7.177 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.556 10.227 7.141 1.00 0.00 H new ATOM 210 N ILE A 18 -7.130 7.309 5.528 1.00 0.00 N ATOM 211 CA ILE A 18 -7.176 6.596 4.257 1.00 0.00 C ATOM 212 C ILE A 18 -6.380 5.297 4.327 1.00 0.00 C ATOM 213 O ILE A 18 -6.895 4.223 4.014 1.00 0.00 O ATOM 214 CB ILE A 18 -6.627 7.461 3.107 1.00 0.00 C ATOM 215 CG1 ILE A 18 -7.449 8.743 2.967 1.00 0.00 C ATOM 216 CG2 ILE A 18 -6.634 6.675 1.804 1.00 0.00 C ATOM 217 CD1 ILE A 18 -6.694 9.876 2.307 1.00 0.00 C ATOM 0 H ILE A 18 -6.931 8.306 5.446 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.223 6.367 4.060 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.598 7.736 3.337 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.346 8.528 2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.778 9.064 3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.243 7.299 1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.010 5.788 1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.654 6.374 1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.338 10.753 2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.811 10.118 2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.388 9.574 1.305 1.00 0.00 H new ATOM 229 N LEU A 19 -5.122 5.402 4.740 1.00 0.00 N ATOM 230 CA LEU A 19 -4.254 4.235 4.853 1.00 0.00 C ATOM 231 C LEU A 19 -4.955 3.105 5.599 1.00 0.00 C ATOM 232 O LEU A 19 -5.081 1.992 5.088 1.00 0.00 O ATOM 233 CB LEU A 19 -2.956 4.608 5.571 1.00 0.00 C ATOM 234 CG LEU A 19 -1.893 3.512 5.649 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.395 3.152 4.258 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.736 3.953 6.534 1.00 0.00 C ATOM 0 H LEU A 19 -4.680 6.283 5.002 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.019 3.889 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.522 5.472 5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.202 4.920 6.586 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.345 2.625 6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.639 2.370 4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.229 2.793 3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.960 4.034 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.011 3.160 6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.285 4.855 6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.105 4.160 7.539 1.00 0.00 H new ATOM 248 N THR A 20 -5.413 3.399 6.812 1.00 0.00 N ATOM 249 CA THR A 20 -6.103 2.408 7.629 1.00 0.00 C ATOM 250 C THR A 20 -7.198 1.707 6.835 1.00 0.00 C ATOM 251 O THR A 20 -7.070 0.533 6.487 1.00 0.00 O ATOM 252 CB THR A 20 -6.725 3.050 8.884 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.699 3.627 9.699 1.00 0.00 O ATOM 254 CG2 THR A 20 -7.500 2.019 9.691 1.00 0.00 C ATOM 0 H THR A 20 -5.319 4.315 7.250 1.00 0.00 H new ATOM 0 HA THR A 20 -5.356 1.676 7.936 1.00 0.00 H new ATOM 0 HB THR A 20 -7.415 3.830 8.562 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.410 4.478 9.308 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.930 2.495 10.572 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.299 1.602 9.077 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.827 1.220 10.002 1.00 0.00 H new ATOM 262 N GLU A 21 -8.274 2.433 6.550 1.00 0.00 N ATOM 263 CA GLU A 21 -9.392 1.879 5.796 1.00 0.00 C ATOM 264 C GLU A 21 -8.899 0.907 4.727 1.00 0.00 C ATOM 265 O GLU A 21 -9.478 -0.161 4.529 1.00 0.00 O ATOM 266 CB GLU A 21 -10.204 3.001 5.145 1.00 0.00 C ATOM 267 CG GLU A 21 -10.793 3.983 6.143 1.00 0.00 C ATOM 268 CD GLU A 21 -12.135 3.531 6.685 1.00 0.00 C ATOM 269 OE1 GLU A 21 -12.152 2.646 7.566 1.00 0.00 O ATOM 270 OE2 GLU A 21 -13.168 4.062 6.228 1.00 0.00 O ATOM 0 H GLU A 21 -8.395 3.406 6.830 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.031 1.335 6.491 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.565 3.543 4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.012 2.561 4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.097 4.115 6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.908 4.956 5.665 1.00 0.00 H new ATOM 277 N MET A 22 -7.826 1.287 4.041 1.00 0.00 N ATOM 278 CA MET A 22 -7.254 0.449 2.993 1.00 0.00 C ATOM 279 C MET A 22 -6.598 -0.793 3.587 1.00 0.00 C ATOM 280 O MET A 22 -6.784 -1.902 3.089 1.00 0.00 O ATOM 281 CB MET A 22 -6.229 1.242 2.180 1.00 0.00 C ATOM 282 CG MET A 22 -6.854 2.277 1.258 1.00 0.00 C ATOM 283 SD MET A 22 -5.832 2.630 -0.184 1.00 0.00 S ATOM 284 CE MET A 22 -4.272 3.035 0.597 1.00 0.00 C ATOM 0 H MET A 22 -7.336 2.169 4.192 1.00 0.00 H new ATOM 0 HA MET A 22 -8.062 0.131 2.335 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.544 1.743 2.864 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.635 0.549 1.585 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.830 1.922 0.928 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.022 3.199 1.814 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.030 4.080 0.406 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.350 2.871 1.672 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.485 2.400 0.190 1.00 0.00 H new ATOM 294 N GLU A 23 -5.829 -0.598 4.654 1.00 0.00 N ATOM 295 CA GLU A 23 -5.145 -1.703 5.314 1.00 0.00 C ATOM 296 C GLU A 23 -6.146 -2.734 5.828 1.00 0.00 C ATOM 297 O GLU A 23 -5.781 -3.864 6.154 1.00 0.00 O ATOM 298 CB GLU A 23 -4.291 -1.185 6.473 1.00 0.00 C ATOM 299 CG GLU A 23 -2.998 -0.522 6.027 1.00 0.00 C ATOM 300 CD GLU A 23 -2.163 -0.030 7.193 1.00 0.00 C ATOM 301 OE1 GLU A 23 -2.734 0.592 8.112 1.00 0.00 O ATOM 302 OE2 GLU A 23 -0.936 -0.266 7.185 1.00 0.00 O ATOM 0 H GLU A 23 -5.664 0.314 5.079 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.497 -2.184 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.875 -0.470 7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.053 -2.016 7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.414 -1.231 5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.231 0.318 5.372 1.00 0.00 H new ATOM 309 N THR A 24 -7.413 -2.336 5.898 1.00 0.00 N ATOM 310 CA THR A 24 -8.467 -3.223 6.373 1.00 0.00 C ATOM 311 C THR A 24 -9.329 -3.721 5.218 1.00 0.00 C ATOM 312 O THR A 24 -10.515 -4.005 5.392 1.00 0.00 O ATOM 313 CB THR A 24 -9.369 -2.521 7.406 1.00 0.00 C ATOM 314 OG1 THR A 24 -9.994 -1.377 6.813 1.00 0.00 O ATOM 315 CG2 THR A 24 -8.564 -2.092 8.623 1.00 0.00 C ATOM 0 H THR A 24 -7.733 -1.405 5.632 1.00 0.00 H new ATOM 0 HA THR A 24 -7.975 -4.072 6.848 1.00 0.00 H new ATOM 0 HB THR A 24 -10.135 -3.227 7.727 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.677 -1.272 5.892 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.222 -1.599 9.339 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.113 -2.968 9.089 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.779 -1.401 8.315 1.00 0.00 H new ATOM 323 N HIS A 25 -8.726 -3.825 4.038 1.00 0.00 N ATOM 324 CA HIS A 25 -9.439 -4.290 2.854 1.00 0.00 C ATOM 325 C HIS A 25 -9.141 -5.762 2.583 1.00 0.00 C ATOM 326 O HIS A 25 -8.108 -6.282 3.002 1.00 0.00 O ATOM 327 CB HIS A 25 -9.055 -3.448 1.637 1.00 0.00 C ATOM 328 CG HIS A 25 -10.152 -3.321 0.625 1.00 0.00 C ATOM 329 ND1 HIS A 25 -10.177 -4.040 -0.551 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.267 -2.553 0.619 1.00 0.00 C ATOM 331 CE1 HIS A 25 -11.260 -3.719 -1.237 1.00 0.00 C ATOM 332 NE2 HIS A 25 -11.938 -2.819 -0.548 1.00 0.00 N ATOM 0 H HIS A 25 -7.746 -3.594 3.876 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.508 -4.182 3.039 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.764 -2.452 1.972 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.181 -3.892 1.160 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.572 -1.860 1.389 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.543 -4.124 -2.198 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.818 -2.391 -0.837 1.00 0.00 H new ATOM 340 N GLU A 26 -10.054 -6.426 1.881 1.00 0.00 N ATOM 341 CA GLU A 26 -9.888 -7.838 1.557 1.00 0.00 C ATOM 342 C GLU A 26 -8.839 -8.026 0.465 1.00 0.00 C ATOM 343 O GLU A 26 -8.406 -9.146 0.191 1.00 0.00 O ATOM 344 CB GLU A 26 -11.221 -8.441 1.108 1.00 0.00 C ATOM 345 CG GLU A 26 -11.718 -7.898 -0.221 1.00 0.00 C ATOM 346 CD GLU A 26 -12.968 -8.604 -0.709 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.117 -9.811 -0.426 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.798 -7.948 -1.374 1.00 0.00 O ATOM 0 H GLU A 26 -10.915 -6.010 1.526 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.548 -8.353 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.113 -9.523 1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.973 -8.249 1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.923 -6.832 -0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.931 -8.002 -0.969 1.00 0.00 H new ATOM 355 N ASP A 27 -8.436 -6.923 -0.156 1.00 0.00 N ATOM 356 CA ASP A 27 -7.437 -6.965 -1.218 1.00 0.00 C ATOM 357 C ASP A 27 -6.324 -5.955 -0.957 1.00 0.00 C ATOM 358 O ASP A 27 -5.737 -5.409 -1.891 1.00 0.00 O ATOM 359 CB ASP A 27 -8.090 -6.686 -2.572 1.00 0.00 C ATOM 360 CG ASP A 27 -8.800 -7.902 -3.135 1.00 0.00 C ATOM 361 OD1 ASP A 27 -8.124 -8.924 -3.377 1.00 0.00 O ATOM 362 OD2 ASP A 27 -10.031 -7.831 -3.332 1.00 0.00 O ATOM 0 H ASP A 27 -8.786 -5.989 0.057 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.000 -7.963 -1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.804 -5.869 -2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.328 -6.355 -3.278 1.00 0.00 H new ATOM 367 N ALA A 28 -6.040 -5.710 0.318 1.00 0.00 N ATOM 368 CA ALA A 28 -4.998 -4.766 0.701 1.00 0.00 C ATOM 369 C ALA A 28 -3.862 -5.471 1.434 1.00 0.00 C ATOM 370 O ALA A 28 -2.854 -4.853 1.776 1.00 0.00 O ATOM 371 CB ALA A 28 -5.581 -3.659 1.566 1.00 0.00 C ATOM 0 H ALA A 28 -6.517 -6.153 1.103 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.590 -4.324 -0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.791 -2.961 1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.353 -3.129 1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.017 -4.092 2.466 1.00 0.00 H new ATOM 377 N TRP A 29 -4.032 -6.766 1.673 1.00 0.00 N ATOM 378 CA TRP A 29 -3.020 -7.555 2.367 1.00 0.00 C ATOM 379 C TRP A 29 -1.832 -7.840 1.455 1.00 0.00 C ATOM 380 O TRP A 29 -0.692 -7.974 1.898 1.00 0.00 O ATOM 381 CB TRP A 29 -3.622 -8.869 2.867 1.00 0.00 C ATOM 382 CG TRP A 29 -3.969 -9.821 1.763 1.00 0.00 C ATOM 383 CD1 TRP A 29 -5.220 -10.136 1.316 1.00 0.00 C ATOM 384 CD2 TRP A 29 -3.053 -10.583 0.970 1.00 0.00 C ATOM 385 NE1 TRP A 29 -5.137 -11.049 0.292 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.819 -11.338 0.060 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.661 -10.700 0.938 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -3.237 -12.197 -0.869 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -1.085 -11.553 0.016 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.872 -12.292 -0.878 1.00 0.00 C ATOM 0 H TRP A 29 -4.861 -7.292 1.397 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.668 -6.977 3.221 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.915 -9.350 3.543 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.520 -8.652 3.446 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.139 -9.728 1.709 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.929 -11.447 -0.213 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.046 -10.134 1.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.842 -12.768 -1.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.010 -11.652 -0.016 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.392 -12.949 -1.588 1.00 0.00 H new ATOM 401 N PRO A 30 -2.101 -7.937 0.145 1.00 0.00 N ATOM 402 CA PRO A 30 -0.984 -8.211 -0.764 1.00 0.00 C ATOM 403 C PRO A 30 0.215 -7.306 -0.499 1.00 0.00 C ATOM 404 O PRO A 30 1.335 -7.605 -0.913 1.00 0.00 O ATOM 405 CB PRO A 30 -1.573 -7.926 -2.148 1.00 0.00 C ATOM 406 CG PRO A 30 -3.038 -8.151 -1.989 1.00 0.00 C ATOM 407 CD PRO A 30 -3.382 -7.810 -0.571 1.00 0.00 C ATOM 0 HA PRO A 30 -0.605 -9.226 -0.648 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.361 -6.905 -2.466 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.150 -8.589 -2.903 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.602 -7.528 -2.683 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.295 -9.187 -2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.787 -6.801 -0.490 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.134 -8.489 -0.168 1.00 0.00 H new ATOM 415 N PHE A 31 -0.029 -6.198 0.193 1.00 0.00 N ATOM 416 CA PHE A 31 1.031 -5.248 0.513 1.00 0.00 C ATOM 417 C PHE A 31 1.269 -5.186 2.019 1.00 0.00 C ATOM 418 O PHE A 31 2.394 -4.975 2.473 1.00 0.00 O ATOM 419 CB PHE A 31 0.675 -3.857 -0.016 1.00 0.00 C ATOM 420 CG PHE A 31 -0.165 -3.886 -1.261 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.521 -4.164 -1.191 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.400 -3.636 -2.501 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.296 -4.192 -2.335 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.370 -3.662 -3.648 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.720 -3.940 -3.565 1.00 0.00 C ATOM 0 H PHE A 31 -0.951 -5.936 0.543 1.00 0.00 H new ATOM 0 HA PHE A 31 1.948 -5.589 0.032 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.142 -3.308 0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.594 -3.308 -0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.977 -4.361 -0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.455 -3.418 -2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.351 -4.411 -2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.083 -3.465 -4.608 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.324 -3.960 -4.460 1.00 0.00 H new ATOM 435 N LEU A 32 0.202 -5.370 2.789 1.00 0.00 N ATOM 436 CA LEU A 32 0.293 -5.335 4.244 1.00 0.00 C ATOM 437 C LEU A 32 1.626 -5.902 4.720 1.00 0.00 C ATOM 438 O LEU A 32 2.176 -5.460 5.730 1.00 0.00 O ATOM 439 CB LEU A 32 -0.861 -6.123 4.866 1.00 0.00 C ATOM 440 CG LEU A 32 -2.205 -5.398 4.943 1.00 0.00 C ATOM 441 CD1 LEU A 32 -3.269 -6.308 5.536 1.00 0.00 C ATOM 442 CD2 LEU A 32 -2.077 -4.121 5.760 1.00 0.00 C ATOM 0 H LEU A 32 -0.736 -5.545 2.430 1.00 0.00 H new ATOM 0 HA LEU A 32 0.228 -4.295 4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.998 -7.040 4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.571 -6.417 5.875 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.509 -5.129 3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.219 -5.775 5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.380 -7.193 4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.972 -6.609 6.541 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.043 -3.619 5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.750 -4.367 6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.346 -3.461 5.292 1.00 0.00 H new ATOM 454 N LEU A 33 2.143 -6.881 3.986 1.00 0.00 N ATOM 455 CA LEU A 33 3.414 -7.507 4.331 1.00 0.00 C ATOM 456 C LEU A 33 4.445 -7.291 3.228 1.00 0.00 C ATOM 457 O LEU A 33 4.122 -7.257 2.041 1.00 0.00 O ATOM 458 CB LEU A 33 3.217 -9.005 4.575 1.00 0.00 C ATOM 459 CG LEU A 33 2.582 -9.389 5.912 1.00 0.00 C ATOM 460 CD1 LEU A 33 2.318 -10.886 5.966 1.00 0.00 C ATOM 461 CD2 LEU A 33 3.472 -8.960 7.069 1.00 0.00 C ATOM 0 H LEU A 33 1.701 -7.259 3.148 1.00 0.00 H new ATOM 0 HA LEU A 33 3.784 -7.042 5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.597 -9.405 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.188 -9.495 4.502 1.00 0.00 H new ATOM 0 HG LEU A 33 1.628 -8.869 6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.866 -11.141 6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.640 -11.165 5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.258 -11.426 5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.004 -9.242 8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.441 -9.451 6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.610 -7.879 7.041 1.00 0.00 H new ATOM 473 N PRO A 34 5.717 -7.144 3.628 1.00 0.00 N ATOM 474 CA PRO A 34 6.822 -6.931 2.688 1.00 0.00 C ATOM 475 C PRO A 34 7.124 -8.174 1.858 1.00 0.00 C ATOM 476 O PRO A 34 6.947 -9.301 2.322 1.00 0.00 O ATOM 477 CB PRO A 34 8.005 -6.598 3.601 1.00 0.00 C ATOM 478 CG PRO A 34 7.672 -7.241 4.903 1.00 0.00 C ATOM 479 CD PRO A 34 6.174 -7.173 5.027 1.00 0.00 C ATOM 0 HA PRO A 34 6.594 -6.152 1.961 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.939 -6.986 3.195 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.129 -5.521 3.712 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.019 -8.274 4.928 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.156 -6.722 5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.776 -8.035 5.562 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.856 -6.284 5.572 1.00 0.00 H new ATOM 487 N VAL A 35 7.582 -7.962 0.628 1.00 0.00 N ATOM 488 CA VAL A 35 7.910 -9.065 -0.266 1.00 0.00 C ATOM 489 C VAL A 35 9.339 -9.547 -0.043 1.00 0.00 C ATOM 490 O VAL A 35 10.298 -8.859 -0.392 1.00 0.00 O ATOM 491 CB VAL A 35 7.741 -8.661 -1.743 1.00 0.00 C ATOM 492 CG1 VAL A 35 8.177 -9.793 -2.660 1.00 0.00 C ATOM 493 CG2 VAL A 35 6.300 -8.260 -2.023 1.00 0.00 C ATOM 0 H VAL A 35 7.734 -7.036 0.228 1.00 0.00 H new ATOM 0 HA VAL A 35 7.216 -9.874 -0.037 1.00 0.00 H new ATOM 0 HB VAL A 35 8.379 -7.800 -1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.050 -9.489 -3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.225 -10.027 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.568 -10.675 -2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.198 -7.977 -3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.640 -9.100 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.028 -7.414 -1.391 1.00 0.00 H new ATOM 503 N ASN A 36 9.474 -10.734 0.539 1.00 0.00 N ATOM 504 CA ASN A 36 10.787 -11.308 0.809 1.00 0.00 C ATOM 505 C ASN A 36 11.623 -11.378 -0.465 1.00 0.00 C ATOM 506 O ASN A 36 11.434 -12.267 -1.297 1.00 0.00 O ATOM 507 CB ASN A 36 10.640 -12.706 1.414 1.00 0.00 C ATOM 508 CG ASN A 36 11.774 -13.049 2.361 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.006 -12.849 1.906 1.00 0.00 O flip ATOM 510 ND2 ASN A 36 11.545 -13.486 3.489 1.00 0.00 N flip ATOM 0 H ASN A 36 8.690 -11.317 0.833 1.00 0.00 H new ATOM 0 HA ASN A 36 11.299 -10.662 1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.692 -12.770 1.949 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.604 -13.444 0.612 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.582 -13.624 3.797 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.318 -13.710 4.116 1.00 0.00 H new ATOM 517 N LEU A 37 12.547 -10.436 -0.612 1.00 0.00 N ATOM 518 CA LEU A 37 13.413 -10.390 -1.785 1.00 0.00 C ATOM 519 C LEU A 37 14.234 -11.670 -1.906 1.00 0.00 C ATOM 520 O LEU A 37 14.413 -12.204 -3.001 1.00 0.00 O ATOM 521 CB LEU A 37 14.345 -9.179 -1.708 1.00 0.00 C ATOM 522 CG LEU A 37 13.675 -7.834 -1.424 1.00 0.00 C ATOM 523 CD1 LEU A 37 14.712 -6.723 -1.366 1.00 0.00 C ATOM 524 CD2 LEU A 37 12.622 -7.529 -2.479 1.00 0.00 C ATOM 0 H LEU A 37 12.716 -9.693 0.066 1.00 0.00 H new ATOM 0 HA LEU A 37 12.782 -10.300 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.086 -9.365 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.886 -9.101 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 37 13.181 -7.893 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.217 -5.773 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.429 -6.935 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.235 -6.663 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.156 -6.568 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.092 -7.489 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.862 -8.311 -2.472 1.00 0.00 H new ATOM 536 N LYS A 38 14.729 -12.159 -0.774 1.00 0.00 N ATOM 537 CA LYS A 38 15.528 -13.378 -0.752 1.00 0.00 C ATOM 538 C LYS A 38 14.750 -14.549 -1.346 1.00 0.00 C ATOM 539 O LYS A 38 15.288 -15.328 -2.134 1.00 0.00 O ATOM 540 CB LYS A 38 15.951 -13.709 0.681 1.00 0.00 C ATOM 541 CG LYS A 38 16.922 -12.703 1.275 1.00 0.00 C ATOM 542 CD LYS A 38 17.060 -12.882 2.778 1.00 0.00 C ATOM 543 CE LYS A 38 18.425 -12.426 3.271 1.00 0.00 C ATOM 544 NZ LYS A 38 18.536 -12.510 4.753 1.00 0.00 N ATOM 0 H LYS A 38 14.591 -11.729 0.141 1.00 0.00 H new ATOM 0 HA LYS A 38 16.418 -13.210 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.063 -13.760 1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.410 -14.698 0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 38 17.898 -12.816 0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.578 -11.692 1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.280 -12.315 3.286 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.911 -13.930 3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 38 19.200 -13.041 2.813 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.602 -11.399 2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 19.480 -12.191 5.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.813 -11.904 5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 18.392 -13.494 5.057 1.00 0.00 H new ATOM 558 N LEU A 39 13.483 -14.666 -0.965 1.00 0.00 N ATOM 559 CA LEU A 39 12.631 -15.740 -1.462 1.00 0.00 C ATOM 560 C LEU A 39 12.336 -15.559 -2.947 1.00 0.00 C ATOM 561 O LEU A 39 12.602 -16.447 -3.757 1.00 0.00 O ATOM 562 CB LEU A 39 11.322 -15.786 -0.672 1.00 0.00 C ATOM 563 CG LEU A 39 11.457 -15.974 0.840 1.00 0.00 C ATOM 564 CD1 LEU A 39 10.089 -15.951 1.505 1.00 0.00 C ATOM 565 CD2 LEU A 39 12.183 -17.274 1.154 1.00 0.00 C ATOM 0 H LEU A 39 13.023 -14.030 -0.313 1.00 0.00 H new ATOM 0 HA LEU A 39 13.162 -16.682 -1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.777 -14.860 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.711 -16.598 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 39 12.046 -15.148 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.205 -16.086 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.606 -14.994 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.475 -16.757 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.270 -17.391 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.622 -18.113 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.178 -17.251 0.711 1.00 0.00 H new ATOM 577 N VAL A 40 11.785 -14.401 -3.299 1.00 0.00 N ATOM 578 CA VAL A 40 11.456 -14.101 -4.687 1.00 0.00 C ATOM 579 C VAL A 40 12.716 -14.004 -5.541 1.00 0.00 C ATOM 580 O VAL A 40 13.677 -13.316 -5.198 1.00 0.00 O ATOM 581 CB VAL A 40 10.667 -12.784 -4.805 1.00 0.00 C ATOM 582 CG1 VAL A 40 10.362 -12.473 -6.262 1.00 0.00 C ATOM 583 CG2 VAL A 40 9.386 -12.856 -3.988 1.00 0.00 C ATOM 0 H VAL A 40 11.557 -13.655 -2.641 1.00 0.00 H new ATOM 0 HA VAL A 40 10.836 -14.921 -5.050 1.00 0.00 H new ATOM 0 HB VAL A 40 11.281 -11.976 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.804 -11.539 -6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.295 -12.377 -6.817 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.768 -13.280 -6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.841 -11.917 -4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.766 -13.674 -4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.632 -13.029 -2.940 1.00 0.00 H new ATOM 593 N PRO A 41 12.712 -14.709 -6.682 1.00 0.00 N ATOM 594 CA PRO A 41 13.847 -14.718 -7.611 1.00 0.00 C ATOM 595 C PRO A 41 14.024 -13.382 -8.322 1.00 0.00 C ATOM 596 O PRO A 41 13.537 -13.190 -9.436 1.00 0.00 O ATOM 597 CB PRO A 41 13.475 -15.813 -8.614 1.00 0.00 C ATOM 598 CG PRO A 41 11.987 -15.878 -8.570 1.00 0.00 C ATOM 599 CD PRO A 41 11.600 -15.551 -7.155 1.00 0.00 C ATOM 0 HA PRO A 41 14.793 -14.894 -7.098 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.831 -15.570 -9.615 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.921 -16.769 -8.340 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.545 -15.169 -9.269 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.631 -16.869 -8.853 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.648 -15.021 -7.111 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.492 -16.451 -6.550 1.00 0.00 H new ATOM 607 N GLY A 42 14.726 -12.458 -7.672 1.00 0.00 N ATOM 608 CA GLY A 42 14.955 -11.151 -8.258 1.00 0.00 C ATOM 609 C GLY A 42 13.704 -10.295 -8.273 1.00 0.00 C ATOM 610 O GLY A 42 13.067 -10.132 -9.315 1.00 0.00 O ATOM 0 H GLY A 42 15.140 -12.592 -6.750 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.736 -10.637 -7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.321 -11.272 -9.278 1.00 0.00 H new ATOM 614 N TYR A 43 13.350 -9.747 -7.116 1.00 0.00 N ATOM 615 CA TYR A 43 12.165 -8.906 -6.999 1.00 0.00 C ATOM 616 C TYR A 43 12.476 -7.467 -7.401 1.00 0.00 C ATOM 617 O TYR A 43 11.934 -6.951 -8.378 1.00 0.00 O ATOM 618 CB TYR A 43 11.626 -8.943 -5.568 1.00 0.00 C ATOM 619 CG TYR A 43 10.292 -8.251 -5.405 1.00 0.00 C ATOM 620 CD1 TYR A 43 9.132 -8.800 -5.936 1.00 0.00 C ATOM 621 CD2 TYR A 43 10.192 -7.047 -4.719 1.00 0.00 C ATOM 622 CE1 TYR A 43 7.911 -8.171 -5.790 1.00 0.00 C ATOM 623 CE2 TYR A 43 8.975 -6.410 -4.566 1.00 0.00 C ATOM 624 CZ TYR A 43 7.838 -6.976 -5.104 1.00 0.00 C ATOM 625 OH TYR A 43 6.624 -6.346 -4.955 1.00 0.00 O ATOM 0 H TYR A 43 13.867 -9.870 -6.245 1.00 0.00 H new ATOM 0 HA TYR A 43 11.405 -9.297 -7.676 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.528 -9.982 -5.253 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.352 -8.475 -4.903 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.186 -9.736 -6.473 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.081 -6.601 -4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.019 -8.612 -6.210 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.915 -5.475 -4.029 1.00 0.00 H new ATOM 0 HH TYR A 43 6.746 -5.517 -4.447 1.00 0.00 H new ATOM 635 N LYS A 44 13.354 -6.824 -6.638 1.00 0.00 N ATOM 636 CA LYS A 44 13.740 -5.445 -6.912 1.00 0.00 C ATOM 637 C LYS A 44 13.985 -5.235 -8.403 1.00 0.00 C ATOM 638 O LYS A 44 13.532 -4.249 -8.984 1.00 0.00 O ATOM 639 CB LYS A 44 14.999 -5.080 -6.122 1.00 0.00 C ATOM 640 CG LYS A 44 15.033 -5.674 -4.724 1.00 0.00 C ATOM 641 CD LYS A 44 15.749 -7.014 -4.705 1.00 0.00 C ATOM 642 CE LYS A 44 17.235 -6.847 -4.428 1.00 0.00 C ATOM 643 NZ LYS A 44 18.014 -6.653 -5.682 1.00 0.00 N ATOM 0 H LYS A 44 13.812 -7.236 -5.825 1.00 0.00 H new ATOM 0 HA LYS A 44 12.921 -4.796 -6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.875 -5.420 -6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.070 -3.995 -6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.534 -4.983 -4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.015 -5.799 -4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.305 -7.654 -3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.610 -7.516 -5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.388 -5.992 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.607 -7.726 -3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.017 -6.862 -5.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.652 -7.293 -6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.918 -5.668 -6.002 1.00 0.00 H new ATOM 657 N LYS A 45 14.703 -6.170 -9.018 1.00 0.00 N ATOM 658 CA LYS A 45 15.006 -6.089 -10.442 1.00 0.00 C ATOM 659 C LYS A 45 13.794 -5.600 -11.229 1.00 0.00 C ATOM 660 O LYS A 45 13.912 -4.729 -12.091 1.00 0.00 O ATOM 661 CB LYS A 45 15.451 -7.456 -10.967 1.00 0.00 C ATOM 662 CG LYS A 45 16.940 -7.713 -10.808 1.00 0.00 C ATOM 663 CD LYS A 45 17.720 -7.245 -12.026 1.00 0.00 C ATOM 664 CE LYS A 45 17.499 -8.166 -13.216 1.00 0.00 C ATOM 665 NZ LYS A 45 18.465 -9.299 -13.227 1.00 0.00 N ATOM 0 H LYS A 45 15.086 -6.993 -8.552 1.00 0.00 H new ATOM 0 HA LYS A 45 15.817 -5.373 -10.576 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.898 -8.235 -10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.188 -7.534 -12.022 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.306 -7.198 -9.920 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.112 -8.778 -10.652 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.415 -6.232 -12.287 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.783 -7.207 -11.786 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.482 -8.556 -13.189 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.597 -7.596 -14.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.282 -9.904 -14.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.435 -8.928 -13.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.354 -9.858 -12.357 1.00 0.00 H new ATOM 679 N VAL A 46 12.630 -6.165 -10.926 1.00 0.00 N ATOM 680 CA VAL A 46 11.396 -5.785 -11.604 1.00 0.00 C ATOM 681 C VAL A 46 10.764 -4.562 -10.948 1.00 0.00 C ATOM 682 O VAL A 46 10.200 -3.703 -11.627 1.00 0.00 O ATOM 683 CB VAL A 46 10.377 -6.939 -11.603 1.00 0.00 C ATOM 684 CG1 VAL A 46 9.010 -6.444 -12.052 1.00 0.00 C ATOM 685 CG2 VAL A 46 10.859 -8.076 -12.491 1.00 0.00 C ATOM 0 H VAL A 46 12.515 -6.888 -10.215 1.00 0.00 H new ATOM 0 HA VAL A 46 11.661 -5.546 -12.634 1.00 0.00 H new ATOM 0 HB VAL A 46 10.284 -7.318 -10.585 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.303 -7.273 -12.045 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.663 -5.666 -11.372 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.083 -6.038 -13.061 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.127 -8.883 -12.478 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.982 -7.714 -13.512 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.814 -8.447 -12.120 1.00 0.00 H new ATOM 695 N ILE A 47 10.862 -4.490 -9.625 1.00 0.00 N ATOM 696 CA ILE A 47 10.301 -3.371 -8.878 1.00 0.00 C ATOM 697 C ILE A 47 11.383 -2.365 -8.500 1.00 0.00 C ATOM 698 O ILE A 47 12.222 -2.632 -7.639 1.00 0.00 O ATOM 699 CB ILE A 47 9.590 -3.849 -7.598 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.506 -4.872 -7.942 1.00 0.00 C ATOM 701 CG2 ILE A 47 8.992 -2.666 -6.851 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.432 -4.329 -8.860 1.00 0.00 C ATOM 0 H ILE A 47 11.324 -5.193 -9.048 1.00 0.00 H new ATOM 0 HA ILE A 47 9.572 -2.889 -9.530 1.00 0.00 H new ATOM 0 HB ILE A 47 10.324 -4.329 -6.950 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.971 -5.738 -8.413 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.042 -5.222 -7.020 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.493 -3.020 -5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.785 -1.970 -6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.269 -2.160 -7.491 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.697 -5.109 -9.061 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.940 -3.481 -8.383 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.884 -4.006 -9.798 1.00 0.00 H new ATOM 714 N LYS A 48 11.356 -1.205 -9.147 1.00 0.00 N ATOM 715 CA LYS A 48 12.332 -0.155 -8.877 1.00 0.00 C ATOM 716 C LYS A 48 12.245 0.309 -7.427 1.00 0.00 C ATOM 717 O LYS A 48 13.262 0.466 -6.752 1.00 0.00 O ATOM 718 CB LYS A 48 12.109 1.031 -9.818 1.00 0.00 C ATOM 719 CG LYS A 48 12.710 0.833 -11.199 1.00 0.00 C ATOM 720 CD LYS A 48 14.182 1.206 -11.225 1.00 0.00 C ATOM 721 CE LYS A 48 14.843 0.776 -12.526 1.00 0.00 C ATOM 722 NZ LYS A 48 14.250 1.466 -13.704 1.00 0.00 N ATOM 0 H LYS A 48 10.669 -0.968 -9.862 1.00 0.00 H new ATOM 0 HA LYS A 48 13.327 -0.565 -9.049 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.038 1.208 -9.919 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.539 1.926 -9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.592 -0.207 -11.502 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.167 1.440 -11.924 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.288 2.284 -11.101 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.692 0.737 -10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.911 0.991 -12.479 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.740 -0.302 -12.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.782 1.211 -14.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.258 1.175 -13.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.295 2.495 -13.562 1.00 0.00 H new ATOM 736 N LYS A 49 11.023 0.527 -6.953 1.00 0.00 N ATOM 737 CA LYS A 49 10.802 0.971 -5.582 1.00 0.00 C ATOM 738 C LYS A 49 9.730 0.124 -4.902 1.00 0.00 C ATOM 739 O LYS A 49 8.541 0.441 -4.936 1.00 0.00 O ATOM 740 CB LYS A 49 10.391 2.445 -5.561 1.00 0.00 C ATOM 741 CG LYS A 49 11.567 3.403 -5.480 1.00 0.00 C ATOM 742 CD LYS A 49 11.111 4.851 -5.522 1.00 0.00 C ATOM 743 CE LYS A 49 10.514 5.286 -4.192 1.00 0.00 C ATOM 744 NZ LYS A 49 10.608 6.760 -3.998 1.00 0.00 N ATOM 0 H LYS A 49 10.170 0.403 -7.499 1.00 0.00 H new ATOM 0 HA LYS A 49 11.736 0.853 -5.033 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.815 2.666 -6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.733 2.618 -4.710 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.122 3.222 -4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.251 3.212 -6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.956 5.493 -5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.372 4.978 -6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.469 4.979 -4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.032 4.779 -3.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.191 7.017 -3.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.607 7.050 -4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.092 7.244 -4.760 1.00 0.00 H new ATOM 758 N PRO A 50 10.159 -0.977 -4.268 1.00 0.00 N ATOM 759 CA PRO A 50 9.252 -1.891 -3.566 1.00 0.00 C ATOM 760 C PRO A 50 8.670 -1.270 -2.301 1.00 0.00 C ATOM 761 O PRO A 50 9.310 -1.263 -1.250 1.00 0.00 O ATOM 762 CB PRO A 50 10.148 -3.080 -3.215 1.00 0.00 C ATOM 763 CG PRO A 50 11.525 -2.514 -3.161 1.00 0.00 C ATOM 764 CD PRO A 50 11.562 -1.416 -4.187 1.00 0.00 C ATOM 0 HA PRO A 50 8.388 -2.157 -4.176 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.864 -3.521 -2.260 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.073 -3.867 -3.965 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.749 -2.127 -2.167 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.270 -3.279 -3.381 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.220 -0.603 -3.882 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.926 -1.777 -5.149 1.00 0.00 H new ATOM 772 N MET A 51 7.451 -0.751 -2.409 1.00 0.00 N ATOM 773 CA MET A 51 6.782 -0.130 -1.272 1.00 0.00 C ATOM 774 C MET A 51 5.766 -1.084 -0.651 1.00 0.00 C ATOM 775 O MET A 51 5.425 -2.110 -1.239 1.00 0.00 O ATOM 776 CB MET A 51 6.087 1.162 -1.705 1.00 0.00 C ATOM 777 CG MET A 51 5.595 2.008 -0.541 1.00 0.00 C ATOM 778 SD MET A 51 6.890 2.347 0.667 1.00 0.00 S ATOM 779 CE MET A 51 8.171 3.019 -0.389 1.00 0.00 C ATOM 0 H MET A 51 6.907 -0.748 -3.272 1.00 0.00 H new ATOM 0 HA MET A 51 7.538 0.106 -0.523 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.778 1.753 -2.306 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.241 0.913 -2.345 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.203 2.951 -0.922 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.769 1.496 -0.048 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.922 3.518 0.223 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.639 2.212 -0.952 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.732 3.737 -1.082 1.00 0.00 H new ATOM 789 N ASP A 52 5.287 -0.738 0.539 1.00 0.00 N ATOM 790 CA ASP A 52 4.310 -1.564 1.239 1.00 0.00 C ATOM 791 C ASP A 52 3.680 -0.797 2.397 1.00 0.00 C ATOM 792 O ASP A 52 4.278 0.135 2.936 1.00 0.00 O ATOM 793 CB ASP A 52 4.969 -2.843 1.757 1.00 0.00 C ATOM 794 CG ASP A 52 6.208 -2.563 2.584 1.00 0.00 C ATOM 795 OD1 ASP A 52 7.286 -2.363 1.987 1.00 0.00 O ATOM 796 OD2 ASP A 52 6.100 -2.544 3.828 1.00 0.00 O ATOM 0 H ASP A 52 5.559 0.108 1.039 1.00 0.00 H new ATOM 0 HA ASP A 52 3.524 -1.830 0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.251 -3.399 2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.236 -3.478 0.912 1.00 0.00 H new ATOM 801 N PHE A 53 2.470 -1.194 2.775 1.00 0.00 N ATOM 802 CA PHE A 53 1.758 -0.542 3.868 1.00 0.00 C ATOM 803 C PHE A 53 2.544 -0.653 5.171 1.00 0.00 C ATOM 804 O PHE A 53 2.635 0.307 5.937 1.00 0.00 O ATOM 805 CB PHE A 53 0.370 -1.162 4.042 1.00 0.00 C ATOM 806 CG PHE A 53 -0.573 -0.847 2.916 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.663 0.440 2.410 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.369 -1.837 2.363 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.530 0.733 1.374 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.238 -1.550 1.328 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.318 -0.264 0.832 1.00 0.00 C ATOM 0 H PHE A 53 1.962 -1.964 2.341 1.00 0.00 H new ATOM 0 HA PHE A 53 1.648 0.513 3.619 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.472 -2.244 4.128 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.063 -0.808 4.978 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.049 1.223 2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.309 -2.845 2.746 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.591 1.740 0.989 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.854 -2.331 0.907 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.995 -0.038 0.022 1.00 0.00 H new ATOM 821 N SER A 54 3.109 -1.831 5.416 1.00 0.00 N ATOM 822 CA SER A 54 3.884 -2.069 6.628 1.00 0.00 C ATOM 823 C SER A 54 4.911 -0.962 6.844 1.00 0.00 C ATOM 824 O SER A 54 5.188 -0.567 7.977 1.00 0.00 O ATOM 825 CB SER A 54 4.588 -3.425 6.550 1.00 0.00 C ATOM 826 OG SER A 54 5.610 -3.526 7.527 1.00 0.00 O ATOM 0 H SER A 54 3.045 -2.635 4.792 1.00 0.00 H new ATOM 0 HA SER A 54 3.196 -2.072 7.474 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.861 -4.224 6.695 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.016 -3.560 5.556 1.00 0.00 H new ATOM 0 HG SER A 54 6.044 -4.402 7.457 1.00 0.00 H new ATOM 832 N THR A 55 5.473 -0.463 5.747 1.00 0.00 N ATOM 833 CA THR A 55 6.470 0.598 5.814 1.00 0.00 C ATOM 834 C THR A 55 5.813 1.973 5.786 1.00 0.00 C ATOM 835 O THR A 55 5.964 2.762 6.719 1.00 0.00 O ATOM 836 CB THR A 55 7.475 0.498 4.651 1.00 0.00 C ATOM 837 OG1 THR A 55 8.190 -0.740 4.726 1.00 0.00 O ATOM 838 CG2 THR A 55 8.457 1.659 4.684 1.00 0.00 C ATOM 0 H THR A 55 5.254 -0.777 4.802 1.00 0.00 H new ATOM 0 HA THR A 55 7.002 0.472 6.757 1.00 0.00 H new ATOM 0 HB THR A 55 6.919 0.539 3.715 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.582 -1.482 4.525 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.157 1.567 3.853 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.912 2.599 4.597 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.007 1.644 5.625 1.00 0.00 H new ATOM 846 N ILE A 56 5.082 2.252 4.712 1.00 0.00 N ATOM 847 CA ILE A 56 4.401 3.532 4.565 1.00 0.00 C ATOM 848 C ILE A 56 3.794 3.988 5.887 1.00 0.00 C ATOM 849 O ILE A 56 3.824 5.172 6.220 1.00 0.00 O ATOM 850 CB ILE A 56 3.289 3.459 3.501 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.898 3.364 2.101 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.374 4.670 3.607 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.875 3.122 1.013 1.00 0.00 C ATOM 0 H ILE A 56 4.946 1.609 3.932 1.00 0.00 H new ATOM 0 HA ILE A 56 5.153 4.254 4.245 1.00 0.00 H new ATOM 0 HB ILE A 56 2.694 2.563 3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.436 4.287 1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.630 2.557 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.594 4.604 2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.917 4.696 4.596 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.955 5.579 3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.377 3.066 0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.353 2.185 1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.156 3.941 1.001 1.00 0.00 H new ATOM 865 N ARG A 57 3.246 3.038 6.639 1.00 0.00 N ATOM 866 CA ARG A 57 2.633 3.341 7.926 1.00 0.00 C ATOM 867 C ARG A 57 3.619 4.060 8.842 1.00 0.00 C ATOM 868 O ARG A 57 3.368 5.182 9.281 1.00 0.00 O ATOM 869 CB ARG A 57 2.141 2.057 8.596 1.00 0.00 C ATOM 870 CG ARG A 57 1.727 2.246 10.046 1.00 0.00 C ATOM 871 CD ARG A 57 0.337 2.854 10.153 1.00 0.00 C ATOM 872 NE ARG A 57 -0.713 1.849 10.015 1.00 0.00 N ATOM 873 CZ ARG A 57 -1.142 1.091 11.018 1.00 0.00 C ATOM 874 NH1 ARG A 57 -0.614 1.225 12.227 1.00 0.00 N ATOM 875 NH2 ARG A 57 -2.101 0.198 10.813 1.00 0.00 N ATOM 0 H ARG A 57 3.214 2.052 6.378 1.00 0.00 H new ATOM 0 HA ARG A 57 1.782 3.999 7.749 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.294 1.665 8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.930 1.307 8.547 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.745 1.285 10.559 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.447 2.890 10.550 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.234 3.356 11.115 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.214 3.615 9.382 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.141 1.722 9.098 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.123 1.911 12.388 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.945 0.642 12.996 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.510 0.093 9.884 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.430 -0.384 11.584 1.00 0.00 H new ATOM 889 N GLU A 58 4.741 3.405 9.126 1.00 0.00 N ATOM 890 CA GLU A 58 5.763 3.981 9.991 1.00 0.00 C ATOM 891 C GLU A 58 6.072 5.419 9.585 1.00 0.00 C ATOM 892 O GLU A 58 5.911 6.349 10.376 1.00 0.00 O ATOM 893 CB GLU A 58 7.040 3.140 9.939 1.00 0.00 C ATOM 894 CG GLU A 58 6.863 1.730 10.479 1.00 0.00 C ATOM 895 CD GLU A 58 8.136 1.172 11.083 1.00 0.00 C ATOM 896 OE1 GLU A 58 8.395 1.443 12.275 1.00 0.00 O ATOM 897 OE2 GLU A 58 8.875 0.466 10.366 1.00 0.00 O ATOM 0 H GLU A 58 4.964 2.476 8.770 1.00 0.00 H new ATOM 0 HA GLU A 58 5.379 3.984 11.011 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.386 3.084 8.907 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.820 3.643 10.510 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.077 1.730 11.234 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.531 1.076 9.673 1.00 0.00 H new ATOM 904 N LYS A 59 6.517 5.595 8.345 1.00 0.00 N ATOM 905 CA LYS A 59 6.848 6.919 7.831 1.00 0.00 C ATOM 906 C LYS A 59 5.723 7.909 8.113 1.00 0.00 C ATOM 907 O LYS A 59 5.944 8.961 8.714 1.00 0.00 O ATOM 908 CB LYS A 59 7.118 6.851 6.326 1.00 0.00 C ATOM 909 CG LYS A 59 8.290 5.958 5.958 1.00 0.00 C ATOM 910 CD LYS A 59 8.194 5.476 4.520 1.00 0.00 C ATOM 911 CE LYS A 59 8.483 6.599 3.535 1.00 0.00 C ATOM 912 NZ LYS A 59 8.819 6.077 2.182 1.00 0.00 N ATOM 0 H LYS A 59 6.657 4.837 7.677 1.00 0.00 H new ATOM 0 HA LYS A 59 7.748 7.265 8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.223 6.488 5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.308 7.858 5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.223 6.504 6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.319 5.100 6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.899 4.660 4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.197 5.076 4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.615 7.254 3.466 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.310 7.204 3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.657 6.573 1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.018 5.058 2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.016 6.235 1.540 1.00 0.00 H new ATOM 926 N LEU A 60 4.516 7.566 7.676 1.00 0.00 N ATOM 927 CA LEU A 60 3.355 8.425 7.883 1.00 0.00 C ATOM 928 C LEU A 60 3.218 8.810 9.352 1.00 0.00 C ATOM 929 O LEU A 60 3.139 9.991 9.690 1.00 0.00 O ATOM 930 CB LEU A 60 2.084 7.719 7.408 1.00 0.00 C ATOM 931 CG LEU A 60 0.956 8.628 6.916 1.00 0.00 C ATOM 932 CD1 LEU A 60 -0.369 7.882 6.915 1.00 0.00 C ATOM 933 CD2 LEU A 60 0.865 9.879 7.777 1.00 0.00 C ATOM 0 H LEU A 60 4.316 6.700 7.176 1.00 0.00 H new ATOM 0 HA LEU A 60 3.498 9.335 7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.351 7.036 6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.702 7.111 8.228 1.00 0.00 H new ATOM 0 HG LEU A 60 1.180 8.931 5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.159 8.545 6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.299 7.017 6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.600 7.549 7.927 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.057 10.514 7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.665 9.596 8.810 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.807 10.425 7.726 1.00 0.00 H new ATOM 945 N SER A 61 3.192 7.805 10.222 1.00 0.00 N ATOM 946 CA SER A 61 3.062 8.039 11.656 1.00 0.00 C ATOM 947 C SER A 61 4.011 9.142 12.115 1.00 0.00 C ATOM 948 O SER A 61 3.597 10.103 12.762 1.00 0.00 O ATOM 949 CB SER A 61 3.346 6.751 12.431 1.00 0.00 C ATOM 950 OG SER A 61 2.970 6.881 13.791 1.00 0.00 O ATOM 0 H SER A 61 3.259 6.822 9.959 1.00 0.00 H new ATOM 0 HA SER A 61 2.039 8.358 11.856 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.802 5.923 11.978 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.407 6.510 12.365 1.00 0.00 H new ATOM 0 HG SER A 61 3.160 6.044 14.264 1.00 0.00 H new ATOM 956 N SER A 62 5.288 8.995 11.774 1.00 0.00 N ATOM 957 CA SER A 62 6.298 9.976 12.153 1.00 0.00 C ATOM 958 C SER A 62 6.133 11.263 11.352 1.00 0.00 C ATOM 959 O SER A 62 6.633 12.318 11.740 1.00 0.00 O ATOM 960 CB SER A 62 7.700 9.404 11.938 1.00 0.00 C ATOM 961 OG SER A 62 8.176 9.696 10.635 1.00 0.00 O ATOM 0 H SER A 62 5.647 8.206 11.236 1.00 0.00 H new ATOM 0 HA SER A 62 6.166 10.207 13.210 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.383 9.819 12.679 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.683 8.325 12.089 1.00 0.00 H new ATOM 0 HG SER A 62 7.485 9.472 9.977 1.00 0.00 H new ATOM 967 N GLY A 63 5.426 11.168 10.229 1.00 0.00 N ATOM 968 CA GLY A 63 5.207 12.332 9.390 1.00 0.00 C ATOM 969 C GLY A 63 6.363 12.591 8.445 1.00 0.00 C ATOM 970 O GLY A 63 6.632 13.736 8.082 1.00 0.00 O ATOM 0 H GLY A 63 5.002 10.306 9.886 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.293 12.193 8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.055 13.207 10.021 1.00 0.00 H new ATOM 974 N GLN A 64 7.051 11.525 8.047 1.00 0.00 N ATOM 975 CA GLN A 64 8.187 11.644 7.140 1.00 0.00 C ATOM 976 C GLN A 64 7.771 12.305 5.831 1.00 0.00 C ATOM 977 O GLN A 64 8.616 12.688 5.021 1.00 0.00 O ATOM 978 CB GLN A 64 8.789 10.266 6.861 1.00 0.00 C ATOM 979 CG GLN A 64 9.772 9.805 7.925 1.00 0.00 C ATOM 980 CD GLN A 64 10.839 8.879 7.373 1.00 0.00 C ATOM 981 OE1 GLN A 64 11.070 8.831 6.165 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.495 8.138 8.258 1.00 0.00 N ATOM 0 H GLN A 64 6.842 10.570 8.338 1.00 0.00 H new ATOM 0 HA GLN A 64 8.939 12.271 7.619 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.983 9.536 6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.295 10.288 5.896 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.249 10.676 8.375 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.228 9.294 8.719 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.270 8.210 9.250 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.224 7.496 7.946 1.00 0.00 H new ATOM 991 N TYR A 65 6.464 12.436 5.628 1.00 0.00 N ATOM 992 CA TYR A 65 5.936 13.048 4.415 1.00 0.00 C ATOM 993 C TYR A 65 5.737 14.549 4.605 1.00 0.00 C ATOM 994 O TYR A 65 5.009 14.997 5.491 1.00 0.00 O ATOM 995 CB TYR A 65 4.611 12.392 4.023 1.00 0.00 C ATOM 996 CG TYR A 65 4.727 10.908 3.755 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.315 10.437 2.588 1.00 0.00 C ATOM 998 CD2 TYR A 65 4.246 9.978 4.668 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.422 9.082 2.339 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.350 8.622 4.428 1.00 0.00 C ATOM 1001 CZ TYR A 65 4.938 8.178 3.262 1.00 0.00 C ATOM 1002 OH TYR A 65 5.042 6.828 3.019 1.00 0.00 O ATOM 0 H TYR A 65 5.751 12.126 6.289 1.00 0.00 H new ATOM 0 HA TYR A 65 6.660 12.894 3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.885 12.553 4.820 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.221 12.884 3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.695 11.142 1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.783 10.321 5.581 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.882 8.732 1.427 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.973 7.913 5.150 1.00 0.00 H new ATOM 0 HH TYR A 65 5.490 6.684 2.160 1.00 0.00 H new ATOM 1012 N PRO A 66 6.398 15.345 3.752 1.00 0.00 N ATOM 1013 CA PRO A 66 6.309 16.807 3.803 1.00 0.00 C ATOM 1014 C PRO A 66 4.939 17.320 3.373 1.00 0.00 C ATOM 1015 O PRO A 66 4.538 18.425 3.737 1.00 0.00 O ATOM 1016 CB PRO A 66 7.385 17.263 2.814 1.00 0.00 C ATOM 1017 CG PRO A 66 7.535 16.123 1.866 1.00 0.00 C ATOM 1018 CD PRO A 66 7.283 14.879 2.671 1.00 0.00 C ATOM 0 HA PRO A 66 6.451 17.189 4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.085 18.173 2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.324 17.481 3.323 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.826 16.205 1.042 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.533 16.109 1.428 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.810 14.101 2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.210 14.460 3.063 1.00 0.00 H new ATOM 1026 N ASN A 67 4.226 16.511 2.597 1.00 0.00 N ATOM 1027 CA ASN A 67 2.900 16.884 2.118 1.00 0.00 C ATOM 1028 C ASN A 67 2.136 15.659 1.624 1.00 0.00 C ATOM 1029 O ASN A 67 2.720 14.598 1.400 1.00 0.00 O ATOM 1030 CB ASN A 67 3.013 17.916 0.994 1.00 0.00 C ATOM 1031 CG ASN A 67 4.111 17.576 0.005 1.00 0.00 C ATOM 1032 OD1 ASN A 67 3.851 17.016 -1.060 1.00 0.00 O ATOM 1033 ND2 ASN A 67 5.347 17.914 0.354 1.00 0.00 N ATOM 0 H ASN A 67 4.544 15.593 2.286 1.00 0.00 H new ATOM 0 HA ASN A 67 2.350 17.322 2.951 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.061 17.981 0.467 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.207 18.898 1.425 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.127 17.711 -0.271 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.516 18.377 1.247 1.00 0.00 H new ATOM 1040 N LEU A 68 0.827 15.814 1.456 1.00 0.00 N ATOM 1041 CA LEU A 68 -0.018 14.721 0.987 1.00 0.00 C ATOM 1042 C LEU A 68 0.564 14.082 -0.269 1.00 0.00 C ATOM 1043 O LEU A 68 0.631 12.858 -0.380 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.433 15.230 0.705 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.135 15.938 1.864 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.389 16.647 1.376 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.476 14.947 2.968 1.00 0.00 C ATOM 0 H LEU A 68 0.328 16.685 1.637 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.059 13.965 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.389 15.916 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.047 14.384 0.397 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.455 16.686 2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.875 17.145 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.119 17.386 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.073 15.918 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.975 15.469 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.137 14.175 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.561 14.486 3.338 1.00 0.00 H new ATOM 1059 N GLU A 69 0.987 14.919 -1.211 1.00 0.00 N ATOM 1060 CA GLU A 69 1.566 14.435 -2.459 1.00 0.00 C ATOM 1061 C GLU A 69 2.471 13.231 -2.208 1.00 0.00 C ATOM 1062 O GLU A 69 2.152 12.108 -2.599 1.00 0.00 O ATOM 1063 CB GLU A 69 2.359 15.548 -3.145 1.00 0.00 C ATOM 1064 CG GLU A 69 2.454 15.388 -4.653 1.00 0.00 C ATOM 1065 CD GLU A 69 3.133 16.566 -5.324 1.00 0.00 C ATOM 1066 OE1 GLU A 69 2.806 17.718 -4.971 1.00 0.00 O ATOM 1067 OE2 GLU A 69 3.992 16.336 -6.201 1.00 0.00 O ATOM 0 H GLU A 69 0.940 15.935 -1.134 1.00 0.00 H new ATOM 0 HA GLU A 69 0.750 14.125 -3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.893 16.507 -2.919 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.365 15.576 -2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.005 14.476 -4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.452 15.268 -5.065 1.00 0.00 H new ATOM 1074 N THR A 70 3.602 13.475 -1.553 1.00 0.00 N ATOM 1075 CA THR A 70 4.554 12.414 -1.251 1.00 0.00 C ATOM 1076 C THR A 70 3.845 11.177 -0.710 1.00 0.00 C ATOM 1077 O THR A 70 4.075 10.062 -1.180 1.00 0.00 O ATOM 1078 CB THR A 70 5.606 12.878 -0.227 1.00 0.00 C ATOM 1079 OG1 THR A 70 4.975 13.173 1.024 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.346 14.108 -0.731 1.00 0.00 C ATOM 0 H THR A 70 3.881 14.399 -1.222 1.00 0.00 H new ATOM 0 HA THR A 70 5.055 12.163 -2.186 1.00 0.00 H new ATOM 0 HB THR A 70 6.327 12.072 -0.088 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.179 13.723 0.867 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.084 14.417 0.009 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.849 13.871 -1.668 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.635 14.918 -0.895 1.00 0.00 H new ATOM 1088 N PHE A 71 2.982 11.381 0.279 1.00 0.00 N ATOM 1089 CA PHE A 71 2.240 10.281 0.885 1.00 0.00 C ATOM 1090 C PHE A 71 1.495 9.478 -0.177 1.00 0.00 C ATOM 1091 O PHE A 71 1.587 8.252 -0.221 1.00 0.00 O ATOM 1092 CB PHE A 71 1.251 10.816 1.923 1.00 0.00 C ATOM 1093 CG PHE A 71 0.251 9.794 2.380 1.00 0.00 C ATOM 1094 CD1 PHE A 71 0.600 8.836 3.319 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -1.038 9.790 1.872 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -0.319 7.893 3.742 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -1.961 8.850 2.292 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.600 7.900 3.228 1.00 0.00 C ATOM 0 H PHE A 71 2.779 12.297 0.678 1.00 0.00 H new ATOM 0 HA PHE A 71 2.954 9.622 1.379 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.806 11.182 2.787 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.720 11.669 1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.601 8.826 3.725 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.325 10.530 1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.035 7.152 4.474 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.963 8.858 1.889 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.319 7.164 3.557 1.00 0.00 H new ATOM 1108 N ALA A 72 0.756 10.179 -1.031 1.00 0.00 N ATOM 1109 CA ALA A 72 -0.003 9.533 -2.094 1.00 0.00 C ATOM 1110 C ALA A 72 0.918 8.781 -3.049 1.00 0.00 C ATOM 1111 O ALA A 72 0.730 7.591 -3.301 1.00 0.00 O ATOM 1112 CB ALA A 72 -0.828 10.561 -2.854 1.00 0.00 C ATOM 0 H ALA A 72 0.667 11.195 -1.007 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.677 8.809 -1.636 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.390 10.064 -3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.521 11.050 -2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.165 11.307 -3.293 1.00 0.00 H new ATOM 1118 N LEU A 73 1.914 9.484 -3.577 1.00 0.00 N ATOM 1119 CA LEU A 73 2.866 8.883 -4.506 1.00 0.00 C ATOM 1120 C LEU A 73 3.259 7.481 -4.051 1.00 0.00 C ATOM 1121 O LEU A 73 3.325 6.552 -4.856 1.00 0.00 O ATOM 1122 CB LEU A 73 4.113 9.760 -4.628 1.00 0.00 C ATOM 1123 CG LEU A 73 3.982 10.991 -5.526 1.00 0.00 C ATOM 1124 CD1 LEU A 73 5.068 12.006 -5.202 1.00 0.00 C ATOM 1125 CD2 LEU A 73 4.043 10.591 -6.993 1.00 0.00 C ATOM 0 H LEU A 73 2.084 10.470 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 73 2.386 8.808 -5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.399 10.092 -3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.930 9.145 -5.005 1.00 0.00 H new ATOM 0 HG LEU A 73 3.013 11.453 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.959 12.875 -5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.977 12.316 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.047 11.555 -5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.948 11.480 -7.617 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.996 10.104 -7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.228 9.902 -7.217 1.00 0.00 H new ATOM 1137 N ASP A 74 3.517 7.335 -2.756 1.00 0.00 N ATOM 1138 CA ASP A 74 3.900 6.046 -2.193 1.00 0.00 C ATOM 1139 C ASP A 74 2.739 5.058 -2.257 1.00 0.00 C ATOM 1140 O ASP A 74 2.909 3.911 -2.668 1.00 0.00 O ATOM 1141 CB ASP A 74 4.363 6.215 -0.745 1.00 0.00 C ATOM 1142 CG ASP A 74 5.684 6.951 -0.642 1.00 0.00 C ATOM 1143 OD1 ASP A 74 5.839 7.989 -1.318 1.00 0.00 O ATOM 1144 OD2 ASP A 74 6.564 6.489 0.115 1.00 0.00 O ATOM 0 H ASP A 74 3.468 8.094 -2.076 1.00 0.00 H new ATOM 0 HA ASP A 74 4.724 5.649 -2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.603 6.759 -0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.460 5.234 -0.281 1.00 0.00 H new ATOM 1149 N VAL A 75 1.559 5.512 -1.846 1.00 0.00 N ATOM 1150 CA VAL A 75 0.370 4.669 -1.856 1.00 0.00 C ATOM 1151 C VAL A 75 0.062 4.171 -3.264 1.00 0.00 C ATOM 1152 O VAL A 75 0.007 2.965 -3.508 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.857 5.423 -1.311 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -2.092 4.536 -1.355 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.594 5.914 0.105 1.00 0.00 C ATOM 0 H VAL A 75 1.401 6.459 -1.502 1.00 0.00 H new ATOM 0 HA VAL A 75 0.580 3.817 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.040 6.291 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.949 5.086 -0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.289 4.238 -2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.924 3.648 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.471 6.445 0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.385 5.062 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.263 6.587 0.103 1.00 0.00 H new ATOM 1165 N ARG A 76 -0.137 5.106 -4.187 1.00 0.00 N ATOM 1166 CA ARG A 76 -0.440 4.762 -5.570 1.00 0.00 C ATOM 1167 C ARG A 76 0.613 3.816 -6.139 1.00 0.00 C ATOM 1168 O ARG A 76 0.305 2.942 -6.950 1.00 0.00 O ATOM 1169 CB ARG A 76 -0.520 6.027 -6.427 1.00 0.00 C ATOM 1170 CG ARG A 76 -1.484 7.070 -5.884 1.00 0.00 C ATOM 1171 CD ARG A 76 -1.257 8.427 -6.531 1.00 0.00 C ATOM 1172 NE ARG A 76 -2.075 9.470 -5.918 1.00 0.00 N ATOM 1173 CZ ARG A 76 -2.319 10.644 -6.488 1.00 0.00 C ATOM 1174 NH1 ARG A 76 -1.809 10.925 -7.679 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -3.074 11.541 -5.867 1.00 0.00 N ATOM 0 H ARG A 76 -0.094 6.108 -4.002 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.406 4.257 -5.588 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.474 6.468 -6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.825 5.753 -7.437 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.510 6.747 -6.063 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.360 7.155 -4.804 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.204 8.697 -6.448 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.487 8.364 -7.595 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.482 9.286 -5.001 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.228 10.238 -8.160 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.998 11.828 -8.115 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.468 11.329 -4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.260 12.442 -6.306 1.00 0.00 H new ATOM 1189 N LEU A 77 1.857 3.996 -5.708 1.00 0.00 N ATOM 1190 CA LEU A 77 2.957 3.159 -6.173 1.00 0.00 C ATOM 1191 C LEU A 77 2.826 1.738 -5.634 1.00 0.00 C ATOM 1192 O LEU A 77 3.117 0.768 -6.333 1.00 0.00 O ATOM 1193 CB LEU A 77 4.297 3.759 -5.745 1.00 0.00 C ATOM 1194 CG LEU A 77 5.545 2.971 -6.148 1.00 0.00 C ATOM 1195 CD1 LEU A 77 5.847 3.170 -7.625 1.00 0.00 C ATOM 1196 CD2 LEU A 77 6.736 3.388 -5.297 1.00 0.00 C ATOM 0 H LEU A 77 2.129 4.715 -5.037 1.00 0.00 H new ATOM 0 HA LEU A 77 2.916 3.119 -7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.374 4.762 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.294 3.867 -4.660 1.00 0.00 H new ATOM 0 HG LEU A 77 5.354 1.912 -5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.738 2.602 -7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.002 2.822 -8.219 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.018 4.228 -7.822 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.615 2.818 -5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.928 4.452 -5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.519 3.194 -4.247 1.00 0.00 H new ATOM 1208 N VAL A 78 2.385 1.623 -4.385 1.00 0.00 N ATOM 1209 CA VAL A 78 2.213 0.321 -3.752 1.00 0.00 C ATOM 1210 C VAL A 78 1.352 -0.598 -4.611 1.00 0.00 C ATOM 1211 O VAL A 78 1.592 -1.803 -4.683 1.00 0.00 O ATOM 1212 CB VAL A 78 1.569 0.455 -2.359 1.00 0.00 C ATOM 1213 CG1 VAL A 78 1.165 -0.910 -1.824 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.520 1.154 -1.398 1.00 0.00 C ATOM 0 H VAL A 78 2.140 2.416 -3.792 1.00 0.00 H new ATOM 0 HA VAL A 78 3.207 -0.113 -3.645 1.00 0.00 H new ATOM 0 HB VAL A 78 0.669 1.063 -2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.712 -0.795 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.446 -1.369 -2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.047 -1.546 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.049 1.240 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.439 0.574 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.754 2.149 -1.777 1.00 0.00 H new ATOM 1224 N PHE A 79 0.348 -0.020 -5.263 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.550 -0.788 -6.118 1.00 0.00 C ATOM 1226 C PHE A 79 0.016 -0.912 -7.529 1.00 0.00 C ATOM 1227 O PHE A 79 -0.414 -1.761 -8.310 1.00 0.00 O ATOM 1228 CB PHE A 79 -1.930 -0.128 -6.166 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.470 0.233 -4.812 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -2.390 -0.663 -3.758 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -3.057 1.469 -4.592 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -2.887 -0.334 -2.512 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -3.555 1.804 -3.347 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.469 0.902 -2.305 1.00 0.00 C ATOM 0 H PHE A 79 0.136 0.977 -5.216 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.647 -1.788 -5.696 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.872 0.773 -6.777 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.630 -0.803 -6.659 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.934 -1.630 -3.913 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.126 2.179 -5.403 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.821 -1.043 -1.700 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.011 2.770 -3.189 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.856 1.162 -1.331 1.00 0.00 H new ATOM 1244 N ASP A 80 0.984 -0.060 -7.848 1.00 0.00 N ATOM 1245 CA ASP A 80 1.611 -0.074 -9.165 1.00 0.00 C ATOM 1246 C ASP A 80 2.641 -1.194 -9.265 1.00 0.00 C ATOM 1247 O ASP A 80 2.508 -2.101 -10.085 1.00 0.00 O ATOM 1248 CB ASP A 80 2.276 1.274 -9.451 1.00 0.00 C ATOM 1249 CG ASP A 80 3.291 1.192 -10.574 1.00 0.00 C ATOM 1250 OD1 ASP A 80 4.459 0.850 -10.295 1.00 0.00 O ATOM 1251 OD2 ASP A 80 2.916 1.469 -11.733 1.00 0.00 O ATOM 0 H ASP A 80 1.352 0.649 -7.213 1.00 0.00 H new ATOM 0 HA ASP A 80 0.834 -0.252 -9.908 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.511 2.006 -9.710 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.767 1.633 -8.547 1.00 0.00 H new ATOM 1256 N ASN A 81 3.668 -1.124 -8.424 1.00 0.00 N ATOM 1257 CA ASN A 81 4.722 -2.132 -8.418 1.00 0.00 C ATOM 1258 C ASN A 81 4.130 -3.538 -8.424 1.00 0.00 C ATOM 1259 O ASN A 81 4.379 -4.324 -9.339 1.00 0.00 O ATOM 1260 CB ASN A 81 5.623 -1.951 -7.195 1.00 0.00 C ATOM 1261 CG ASN A 81 4.873 -1.391 -6.002 1.00 0.00 C ATOM 1262 OD1 ASN A 81 3.662 -1.572 -5.876 1.00 0.00 O ATOM 1263 ND2 ASN A 81 5.592 -0.706 -5.120 1.00 0.00 N ATOM 0 H ASN A 81 3.793 -0.380 -7.738 1.00 0.00 H new ATOM 0 HA ASN A 81 5.318 -2.004 -9.322 1.00 0.00 H new ATOM 0 HB2 ASN A 81 6.063 -2.911 -6.926 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.446 -1.283 -7.449 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.142 -0.305 -4.297 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.594 -0.581 -5.266 1.00 0.00 H new ATOM 1270 N CYS A 82 3.345 -3.848 -7.398 1.00 0.00 N ATOM 1271 CA CYS A 82 2.717 -5.159 -7.284 1.00 0.00 C ATOM 1272 C CYS A 82 2.017 -5.542 -8.584 1.00 0.00 C ATOM 1273 O CYS A 82 2.296 -6.590 -9.165 1.00 0.00 O ATOM 1274 CB CYS A 82 1.715 -5.169 -6.129 1.00 0.00 C ATOM 1275 SG CYS A 82 2.445 -5.559 -4.522 1.00 0.00 S ATOM 0 H CYS A 82 3.128 -3.209 -6.633 1.00 0.00 H new ATOM 0 HA CYS A 82 3.498 -5.892 -7.084 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.235 -4.192 -6.070 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.933 -5.896 -6.347 1.00 0.00 H new ATOM 0 HG CYS A 82 1.794 -4.934 -3.586 1.00 0.00 H new ATOM 1281 N GLU A 83 1.107 -4.684 -9.035 1.00 0.00 N ATOM 1282 CA GLU A 83 0.365 -4.934 -10.265 1.00 0.00 C ATOM 1283 C GLU A 83 1.303 -5.374 -11.386 1.00 0.00 C ATOM 1284 O GLU A 83 0.927 -6.163 -12.253 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.401 -3.679 -10.689 1.00 0.00 C ATOM 1286 CG GLU A 83 -0.930 -3.741 -12.112 1.00 0.00 C ATOM 1287 CD GLU A 83 -2.191 -2.921 -12.302 1.00 0.00 C ATOM 1288 OE1 GLU A 83 -3.111 -3.045 -11.467 1.00 0.00 O ATOM 1289 OE2 GLU A 83 -2.257 -2.154 -13.286 1.00 0.00 O ATOM 0 H GLU A 83 0.866 -3.810 -8.567 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.346 -5.737 -10.073 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.237 -3.525 -10.006 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.254 -2.813 -10.591 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.162 -3.383 -12.797 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.133 -4.779 -12.375 1.00 0.00 H new ATOM 1296 N THR A 84 2.528 -4.856 -11.362 1.00 0.00 N ATOM 1297 CA THR A 84 3.520 -5.193 -12.375 1.00 0.00 C ATOM 1298 C THR A 84 4.095 -6.585 -12.140 1.00 0.00 C ATOM 1299 O THR A 84 4.062 -7.439 -13.027 1.00 0.00 O ATOM 1300 CB THR A 84 4.671 -4.170 -12.395 1.00 0.00 C ATOM 1301 OG1 THR A 84 4.173 -2.878 -12.759 1.00 0.00 O ATOM 1302 CG2 THR A 84 5.755 -4.595 -13.374 1.00 0.00 C ATOM 0 H THR A 84 2.856 -4.202 -10.652 1.00 0.00 H new ATOM 0 HA THR A 84 3.009 -5.173 -13.338 1.00 0.00 H new ATOM 0 HB THR A 84 5.103 -4.123 -11.395 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.636 -2.515 -12.024 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.557 -3.857 -13.371 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.153 -5.565 -13.077 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.332 -4.667 -14.376 1.00 0.00 H new ATOM 1310 N PHE A 85 4.622 -6.807 -10.941 1.00 0.00 N ATOM 1311 CA PHE A 85 5.206 -8.097 -10.590 1.00 0.00 C ATOM 1312 C PHE A 85 4.139 -9.187 -10.561 1.00 0.00 C ATOM 1313 O PHE A 85 4.226 -10.175 -11.289 1.00 0.00 O ATOM 1314 CB PHE A 85 5.902 -8.012 -9.230 1.00 0.00 C ATOM 1315 CG PHE A 85 6.918 -9.096 -9.008 1.00 0.00 C ATOM 1316 CD1 PHE A 85 8.187 -8.997 -9.555 1.00 0.00 C ATOM 1317 CD2 PHE A 85 6.603 -10.214 -8.252 1.00 0.00 C ATOM 1318 CE1 PHE A 85 9.124 -9.992 -9.352 1.00 0.00 C ATOM 1319 CE2 PHE A 85 7.537 -11.212 -8.045 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.798 -11.102 -8.597 1.00 0.00 C ATOM 0 H PHE A 85 4.657 -6.111 -10.196 1.00 0.00 H new ATOM 0 HA PHE A 85 5.942 -8.354 -11.352 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.392 -7.042 -9.141 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.150 -8.063 -8.442 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.447 -8.132 -10.147 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.617 -10.307 -7.820 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.110 -9.902 -9.783 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.281 -12.077 -7.452 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.528 -11.882 -8.439 1.00 0.00 H new ATOM 1330 N ASN A 86 3.132 -8.999 -9.714 1.00 0.00 N ATOM 1331 CA ASN A 86 2.048 -9.966 -9.589 1.00 0.00 C ATOM 1332 C ASN A 86 1.098 -9.876 -10.779 1.00 0.00 C ATOM 1333 O ASN A 86 0.582 -8.804 -11.094 1.00 0.00 O ATOM 1334 CB ASN A 86 1.277 -9.734 -8.288 1.00 0.00 C ATOM 1335 CG ASN A 86 2.115 -10.026 -7.059 1.00 0.00 C ATOM 1336 OD1 ASN A 86 2.235 -11.176 -6.635 1.00 0.00 O ATOM 1337 ND2 ASN A 86 2.701 -8.984 -6.480 1.00 0.00 N ATOM 0 H ASN A 86 3.044 -8.186 -9.104 1.00 0.00 H new ATOM 0 HA ASN A 86 2.486 -10.964 -9.571 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.933 -8.700 -8.252 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.389 -10.366 -8.277 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.278 -9.120 -5.650 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.574 -8.048 -6.866 1.00 0.00 H new ATOM 1383 N SER A 90 -3.190 -13.745 -10.805 1.00 0.00 N ATOM 1384 CA SER A 90 -2.848 -14.116 -9.437 1.00 0.00 C ATOM 1385 C SER A 90 -3.724 -13.369 -8.436 1.00 0.00 C ATOM 1386 O SER A 90 -4.208 -12.272 -8.716 1.00 0.00 O ATOM 1387 CB SER A 90 -1.372 -13.821 -9.160 1.00 0.00 C ATOM 1388 OG SER A 90 -1.193 -12.487 -8.718 1.00 0.00 O ATOM 0 HA SER A 90 -3.026 -15.185 -9.322 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.995 -14.511 -8.405 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.788 -13.989 -10.065 1.00 0.00 H new ATOM 0 HG SER A 90 -1.390 -11.870 -9.453 1.00 0.00 H new ATOM 1394 N ASP A 91 -3.922 -13.971 -7.268 1.00 0.00 N ATOM 1395 CA ASP A 91 -4.738 -13.363 -6.224 1.00 0.00 C ATOM 1396 C ASP A 91 -4.336 -11.910 -5.996 1.00 0.00 C ATOM 1397 O ASP A 91 -5.164 -11.004 -6.090 1.00 0.00 O ATOM 1398 CB ASP A 91 -4.607 -14.152 -4.920 1.00 0.00 C ATOM 1399 CG ASP A 91 -5.152 -15.562 -5.040 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -6.385 -15.712 -5.165 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -4.345 -16.515 -5.007 1.00 0.00 O ATOM 0 H ASP A 91 -3.529 -14.879 -7.021 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.778 -13.386 -6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.558 -14.195 -4.628 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.138 -13.627 -4.126 1.00 0.00 H new ATOM 1406 N ILE A 92 -3.059 -11.695 -5.695 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.547 -10.352 -5.453 1.00 0.00 C ATOM 1408 C ILE A 92 -2.828 -9.435 -6.639 1.00 0.00 C ATOM 1409 O ILE A 92 -3.330 -8.324 -6.473 1.00 0.00 O ATOM 1410 CB ILE A 92 -1.032 -10.368 -5.179 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.738 -11.086 -3.860 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.484 -8.949 -5.149 1.00 0.00 C ATOM 1413 CD1 ILE A 92 0.729 -11.093 -3.490 1.00 0.00 C ATOM 0 H ILE A 92 -2.361 -12.434 -5.613 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.063 -9.971 -4.572 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.538 -10.911 -5.985 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.304 -10.607 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.092 -12.115 -3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.588 -8.977 -4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.666 -8.468 -6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.981 -8.384 -4.361 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.863 -11.618 -2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.299 -11.598 -4.270 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.084 -10.067 -3.389 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.502 -9.910 -7.838 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.729 -9.121 -9.035 1.00 0.00 C ATOM 1427 C GLY A 93 -4.085 -8.445 -9.036 1.00 0.00 C ATOM 1428 O GLY A 93 -4.178 -7.224 -9.162 1.00 0.00 O ATOM 0 H GLY A 93 -2.085 -10.826 -8.001 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.949 -8.364 -9.121 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.647 -9.764 -9.911 1.00 0.00 H new ATOM 1432 N ARG A 94 -5.141 -9.240 -8.896 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.500 -8.711 -8.884 1.00 0.00 C ATOM 1434 C ARG A 94 -6.671 -7.677 -7.776 1.00 0.00 C ATOM 1435 O ARG A 94 -7.266 -6.620 -7.985 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.510 -9.845 -8.699 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.340 -10.980 -9.695 1.00 0.00 C ATOM 1438 CD ARG A 94 -8.508 -11.952 -9.637 1.00 0.00 C ATOM 1439 NE ARG A 94 -8.300 -13.000 -8.641 1.00 0.00 N ATOM 1440 CZ ARG A 94 -9.282 -13.736 -8.133 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -10.533 -13.541 -8.525 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -9.012 -14.671 -7.231 1.00 0.00 N ATOM 0 H ARG A 94 -5.082 -10.253 -8.789 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.682 -8.225 -9.842 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.416 -10.243 -7.688 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.518 -9.441 -8.790 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.255 -10.572 -10.702 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.412 -11.512 -9.487 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.422 -11.406 -9.403 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.650 -12.407 -10.617 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.349 -13.176 -8.318 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.744 -12.824 -9.219 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.285 -14.108 -8.133 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.050 -14.824 -6.928 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.766 -15.236 -6.841 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.145 -7.989 -6.596 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.238 -7.087 -5.455 1.00 0.00 C ATOM 1458 C ALA A 95 -5.731 -5.694 -5.813 1.00 0.00 C ATOM 1459 O ALA A 95 -6.354 -4.689 -5.474 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.459 -7.647 -4.274 1.00 0.00 C ATOM 0 H ALA A 95 -5.650 -8.860 -6.405 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.288 -7.002 -5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.537 -6.963 -3.429 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.870 -8.617 -3.995 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.411 -7.763 -4.551 1.00 0.00 H new ATOM 1466 N GLY A 96 -4.594 -5.642 -6.501 1.00 0.00 N ATOM 1467 CA GLY A 96 -4.022 -4.367 -6.893 1.00 0.00 C ATOM 1468 C GLY A 96 -5.008 -3.497 -7.647 1.00 0.00 C ATOM 1469 O GLY A 96 -5.114 -2.298 -7.386 1.00 0.00 O ATOM 0 H GLY A 96 -4.059 -6.460 -6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.680 -3.837 -6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.145 -4.542 -7.517 1.00 0.00 H new ATOM 1473 N HIS A 97 -5.730 -4.099 -8.586 1.00 0.00 N ATOM 1474 CA HIS A 97 -6.711 -3.370 -9.381 1.00 0.00 C ATOM 1475 C HIS A 97 -7.798 -2.776 -8.491 1.00 0.00 C ATOM 1476 O HIS A 97 -8.263 -1.661 -8.723 1.00 0.00 O ATOM 1477 CB HIS A 97 -7.339 -4.293 -10.426 1.00 0.00 C ATOM 1478 CG HIS A 97 -6.489 -4.486 -11.643 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -6.069 -3.443 -12.442 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -5.977 -5.611 -12.196 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -5.338 -3.918 -13.434 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -5.266 -5.231 -13.308 1.00 0.00 N ATOM 0 H HIS A 97 -5.654 -5.090 -8.815 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.197 -2.555 -9.890 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.533 -5.264 -9.971 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.303 -3.884 -10.728 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.104 -6.619 -11.831 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -4.877 -3.332 -14.216 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.764 -5.860 -13.935 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.200 -3.529 -7.472 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.233 -3.077 -6.548 1.00 0.00 C ATOM 1492 C ASN A 98 -8.728 -1.920 -5.691 1.00 0.00 C ATOM 1493 O ASN A 98 -9.358 -0.865 -5.621 1.00 0.00 O ATOM 1494 CB ASN A 98 -9.685 -4.232 -5.651 1.00 0.00 C ATOM 1495 CG ASN A 98 -10.683 -5.142 -6.339 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.112 -4.876 -7.462 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -11.058 -6.224 -5.667 1.00 0.00 N ATOM 0 H ASN A 98 -7.826 -4.455 -7.266 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.083 -2.727 -7.135 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.815 -4.815 -5.348 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.131 -3.829 -4.742 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.727 -6.874 -6.079 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.677 -6.405 -4.738 1.00 0.00 H new ATOM 1504 N MET A 99 -7.588 -2.126 -5.040 1.00 0.00 N ATOM 1505 CA MET A 99 -6.997 -1.100 -4.189 1.00 0.00 C ATOM 1506 C MET A 99 -6.941 0.241 -4.914 1.00 0.00 C ATOM 1507 O MET A 99 -7.518 1.229 -4.458 1.00 0.00 O ATOM 1508 CB MET A 99 -5.591 -1.515 -3.753 1.00 0.00 C ATOM 1509 CG MET A 99 -5.565 -2.285 -2.442 1.00 0.00 C ATOM 1510 SD MET A 99 -5.317 -1.213 -1.013 1.00 0.00 S ATOM 1511 CE MET A 99 -7.012 -0.916 -0.515 1.00 0.00 C ATOM 0 H MET A 99 -7.055 -2.994 -5.086 1.00 0.00 H new ATOM 0 HA MET A 99 -7.626 -0.990 -3.305 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.143 -2.129 -4.535 1.00 0.00 H new ATOM 0 HB3 MET A 99 -4.972 -0.623 -3.654 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.503 -2.829 -2.325 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.768 -3.028 -2.477 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.094 -1.005 0.568 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.311 0.087 -0.821 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.664 -1.649 -0.989 1.00 0.00 H new ATOM 1521 N ARG A 100 -6.244 0.269 -6.046 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.112 1.489 -6.832 1.00 0.00 C ATOM 1523 C ARG A 100 -7.451 2.213 -6.942 1.00 0.00 C ATOM 1524 O ARG A 100 -7.527 3.430 -6.776 1.00 0.00 O ATOM 1525 CB ARG A 100 -5.580 1.165 -8.230 1.00 0.00 C ATOM 1526 CG ARG A 100 -5.150 2.392 -9.017 1.00 0.00 C ATOM 1527 CD ARG A 100 -5.086 2.103 -10.508 1.00 0.00 C ATOM 1528 NE ARG A 100 -3.862 1.398 -10.877 1.00 0.00 N ATOM 1529 CZ ARG A 100 -2.702 2.006 -11.101 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -2.610 3.324 -10.993 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -1.632 1.295 -11.432 1.00 0.00 N ATOM 0 H ARG A 100 -5.762 -0.540 -6.439 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.405 2.144 -6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.732 0.487 -8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.352 0.637 -8.790 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.850 3.207 -8.833 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.173 2.726 -8.668 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.950 1.506 -10.799 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.146 3.040 -11.062 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.899 0.383 -10.968 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -3.431 3.873 -10.738 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -1.719 3.789 -11.165 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.699 0.281 -11.515 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.742 1.763 -11.604 1.00 0.00 H new ATOM 1545 N LYS A 101 -8.506 1.455 -7.222 1.00 0.00 N ATOM 1546 CA LYS A 101 -9.843 2.023 -7.354 1.00 0.00 C ATOM 1547 C LYS A 101 -10.316 2.613 -6.029 1.00 0.00 C ATOM 1548 O LYS A 101 -10.764 3.759 -5.974 1.00 0.00 O ATOM 1549 CB LYS A 101 -10.829 0.953 -7.828 1.00 0.00 C ATOM 1550 CG LYS A 101 -10.633 0.545 -9.278 1.00 0.00 C ATOM 1551 CD LYS A 101 -11.721 -0.408 -9.742 1.00 0.00 C ATOM 1552 CE LYS A 101 -11.605 -1.762 -9.058 1.00 0.00 C ATOM 1553 NZ LYS A 101 -12.815 -2.601 -9.280 1.00 0.00 N ATOM 0 H LYS A 101 -8.461 0.446 -7.362 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.800 2.823 -8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.728 0.072 -7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.846 1.324 -7.698 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.633 1.433 -9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.659 0.070 -9.395 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.699 0.025 -9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.656 -0.538 -10.822 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.726 -2.285 -9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.455 -1.617 -7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.697 -3.515 -8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.650 -2.114 -8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.944 -2.761 -10.299 1.00 0.00 H new ATOM 1567 N TYR A 102 -10.212 1.825 -4.965 1.00 0.00 N ATOM 1568 CA TYR A 102 -10.630 2.270 -3.641 1.00 0.00 C ATOM 1569 C TYR A 102 -9.871 3.526 -3.223 1.00 0.00 C ATOM 1570 O TYR A 102 -10.472 4.562 -2.938 1.00 0.00 O ATOM 1571 CB TYR A 102 -10.405 1.160 -2.612 1.00 0.00 C ATOM 1572 CG TYR A 102 -10.881 1.517 -1.222 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -10.040 2.161 -0.323 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -12.172 1.211 -0.808 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -10.470 2.489 0.948 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -12.611 1.537 0.460 1.00 0.00 C ATOM 1577 CZ TYR A 102 -11.756 2.175 1.335 1.00 0.00 C ATOM 1578 OH TYR A 102 -12.189 2.500 2.600 1.00 0.00 O ATOM 0 H TYR A 102 -9.842 0.875 -4.993 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.693 2.507 -3.685 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -10.921 0.259 -2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -9.342 0.922 -2.573 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.033 2.409 -0.623 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -12.843 0.710 -1.490 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.803 2.989 1.635 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -13.618 1.294 0.765 1.00 0.00 H new ATOM 0 HH TYR A 102 -13.119 2.211 2.712 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.547 3.426 -3.191 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.704 4.553 -2.808 1.00 0.00 C ATOM 1590 C PHE A 103 -8.274 5.864 -3.341 1.00 0.00 C ATOM 1591 O PHE A 103 -8.327 6.865 -2.627 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.280 4.353 -3.332 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.402 5.559 -3.155 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.056 6.001 -1.889 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.923 6.251 -4.256 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.247 7.110 -1.723 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -4.114 7.360 -4.096 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.777 7.791 -2.828 1.00 0.00 C ATOM 0 H PHE A 103 -8.034 2.576 -3.426 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.680 4.603 -1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.828 3.505 -2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.323 4.097 -4.391 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.422 5.473 -1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -5.185 5.920 -5.250 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -3.983 7.443 -0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.745 7.889 -4.962 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.147 8.659 -2.701 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.700 5.849 -4.600 1.00 0.00 N ATOM 1609 CA GLU A 104 -9.265 7.037 -5.229 1.00 0.00 C ATOM 1610 C GLU A 104 -10.593 7.417 -4.580 1.00 0.00 C ATOM 1611 O GLU A 104 -10.709 8.465 -3.944 1.00 0.00 O ATOM 1612 CB GLU A 104 -9.467 6.801 -6.727 1.00 0.00 C ATOM 1613 CG GLU A 104 -8.172 6.565 -7.486 1.00 0.00 C ATOM 1614 CD GLU A 104 -7.555 7.850 -8.001 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -8.315 8.791 -8.312 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -6.311 7.915 -8.094 1.00 0.00 O ATOM 0 H GLU A 104 -8.665 5.028 -5.204 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.563 7.859 -5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.122 5.941 -6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.978 7.663 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.460 6.060 -6.833 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.364 5.897 -8.325 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.593 6.558 -4.744 1.00 0.00 N ATOM 1624 CA LYS A 105 -12.913 6.801 -4.174 1.00 0.00 C ATOM 1625 C LYS A 105 -12.804 7.248 -2.720 1.00 0.00 C ATOM 1626 O LYS A 105 -13.679 7.946 -2.207 1.00 0.00 O ATOM 1627 CB LYS A 105 -13.771 5.537 -4.267 1.00 0.00 C ATOM 1628 CG LYS A 105 -14.398 5.327 -5.635 1.00 0.00 C ATOM 1629 CD LYS A 105 -15.568 6.269 -5.863 1.00 0.00 C ATOM 1630 CE LYS A 105 -16.816 5.793 -5.134 1.00 0.00 C ATOM 1631 NZ LYS A 105 -17.554 4.761 -5.914 1.00 0.00 N ATOM 0 H LYS A 105 -11.514 5.686 -5.268 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.387 7.598 -4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.156 4.671 -4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.561 5.589 -3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.647 5.485 -6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.737 4.295 -5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.304 7.269 -5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.775 6.343 -6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.536 5.383 -4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -17.472 6.643 -4.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -18.397 4.462 -5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -17.844 5.159 -6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.937 3.939 -6.074 1.00 0.00 H new ATOM 1645 N LYS A 106 -11.723 6.844 -2.061 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.497 7.205 -0.667 1.00 0.00 C ATOM 1647 C LYS A 106 -10.743 8.527 -0.562 1.00 0.00 C ATOM 1648 O LYS A 106 -11.029 9.348 0.309 1.00 0.00 O ATOM 1649 CB LYS A 106 -10.714 6.102 0.047 1.00 0.00 C ATOM 1650 CG LYS A 106 -10.323 6.457 1.471 1.00 0.00 C ATOM 1651 CD LYS A 106 -11.508 6.353 2.417 1.00 0.00 C ATOM 1652 CE LYS A 106 -11.326 7.242 3.637 1.00 0.00 C ATOM 1653 NZ LYS A 106 -11.714 8.653 3.358 1.00 0.00 N ATOM 0 H LYS A 106 -10.989 6.266 -2.471 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.469 7.322 -0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.314 5.192 0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.812 5.881 -0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.528 5.792 1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.923 7.471 1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.420 6.636 1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.632 5.318 2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.927 6.856 4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.285 7.208 3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.174 9.059 4.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.865 9.207 3.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.374 8.679 2.555 1.00 0.00 H new ATOM 1667 N TRP A 107 -9.781 8.727 -1.456 1.00 0.00 N ATOM 1668 CA TRP A 107 -8.988 9.950 -1.465 1.00 0.00 C ATOM 1669 C TRP A 107 -9.833 11.144 -1.893 1.00 0.00 C ATOM 1670 O TRP A 107 -9.902 12.154 -1.191 1.00 0.00 O ATOM 1671 CB TRP A 107 -7.788 9.798 -2.400 1.00 0.00 C ATOM 1672 CG TRP A 107 -6.882 10.992 -2.405 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -7.066 12.157 -3.093 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.651 11.136 -1.689 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -6.023 13.017 -2.848 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -5.142 12.415 -1.989 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -4.930 10.311 -0.822 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -3.946 12.884 -1.453 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -3.742 10.778 -0.291 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.260 12.055 -0.608 1.00 0.00 C ATOM 0 H TRP A 107 -9.532 8.057 -2.184 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.629 10.127 -0.451 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.216 8.918 -2.105 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.147 9.619 -3.414 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -7.908 12.371 -3.735 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.921 13.952 -3.242 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.294 9.326 -0.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.573 13.868 -1.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -3.176 10.148 0.379 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.329 12.391 -0.177 1.00 0.00 H new ATOM 1691 N THR A 108 -10.478 11.024 -3.050 1.00 0.00 N ATOM 1692 CA THR A 108 -11.318 12.094 -3.572 1.00 0.00 C ATOM 1693 C THR A 108 -12.426 12.452 -2.588 1.00 0.00 C ATOM 1694 O THR A 108 -12.986 13.548 -2.641 1.00 0.00 O ATOM 1695 CB THR A 108 -11.951 11.704 -4.921 1.00 0.00 C ATOM 1696 OG1 THR A 108 -12.386 12.878 -5.615 1.00 0.00 O ATOM 1697 CG2 THR A 108 -13.130 10.765 -4.714 1.00 0.00 C ATOM 0 H THR A 108 -10.434 10.195 -3.643 1.00 0.00 H new ATOM 0 HA THR A 108 -10.672 12.960 -3.719 1.00 0.00 H new ATOM 0 HB THR A 108 -11.197 11.189 -5.516 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.786 12.622 -6.472 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.561 10.503 -5.680 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.790 9.860 -4.211 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.885 11.258 -4.102 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.738 11.524 -1.691 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.778 11.743 -0.693 1.00 0.00 C ATOM 1707 C ASP A 109 -13.209 12.433 0.542 1.00 0.00 C ATOM 1708 O ASP A 109 -13.914 13.165 1.238 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.424 10.414 -0.298 1.00 0.00 C ATOM 1710 CG ASP A 109 -15.825 10.592 0.252 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -16.620 11.323 -0.374 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -16.127 10.000 1.310 1.00 0.00 O ATOM 0 H ASP A 109 -12.285 10.612 -1.634 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.537 12.391 -1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.459 9.758 -1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.803 9.920 0.450 1.00 0.00 H new ATOM 1717 N THR A 110 -11.929 12.194 0.811 1.00 0.00 N ATOM 1718 CA THR A 110 -11.266 12.791 1.964 1.00 0.00 C ATOM 1719 C THR A 110 -11.119 14.299 1.794 1.00 0.00 C ATOM 1720 O THR A 110 -11.789 15.078 2.472 1.00 0.00 O ATOM 1721 CB THR A 110 -9.874 12.173 2.193 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.001 10.784 2.514 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.140 12.893 3.314 1.00 0.00 C ATOM 0 H THR A 110 -11.331 11.591 0.246 1.00 0.00 H new ATOM 0 HA THR A 110 -11.894 12.586 2.831 1.00 0.00 H new ATOM 0 HB THR A 110 -9.297 12.281 1.274 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.222 10.280 1.703 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.160 12.439 3.457 1.00 0.00 H new ATOM 0 HG22 THR A 110 -9.018 13.944 3.053 1.00 0.00 H new ATOM 0 HG23 THR A 110 -9.715 12.812 4.236 1.00 0.00 H new