USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 617 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 16 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 20 ASN : amide:sc= -0.013 K(o=-0.013,f=-0.62) USER MOD Single : A 7 THR OG1 : rot -83:sc= 1.02 USER MOD Single : A 15 SER OG : rot -89:sc= 0.986 USER MOD Single : A 19 HIS : no HD1:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 21 THR OG1 : rot 56:sc= 1.26 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -144:sc= 1.24 (180deg=-0.751) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0032 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 14:sc= 1.26 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= 0.293 (180deg=0.227) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -150:sc= 0.899 USER MOD Single : A 64 SER OG : rot -120:sc= 0 USER MOD Single : A 79 TYR OH : rot 138:sc= 0.748 USER MOD Single : A 81 SER OG : rot 83:sc= 0.0351 USER MOD Single : A 84 SER OG : rot -53:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -3.181 12.196 -14.534 1.00 10.00 N ATOM 95 CA LEU A 6 -2.505 11.978 -13.261 1.00 10.00 C ATOM 96 C LEU A 6 -1.449 13.058 -12.996 1.00 10.00 C ATOM 97 O LEU A 6 -0.560 13.290 -13.815 1.00 10.00 O ATOM 98 CB LEU A 6 -1.882 10.570 -13.242 1.00 10.00 C ATOM 99 CG LEU A 6 -2.887 9.403 -13.361 1.00 10.00 C ATOM 100 CD1 LEU A 6 -2.144 8.065 -13.424 1.00 10.00 C ATOM 101 CD2 LEU A 6 -3.876 9.350 -12.190 1.00 10.00 C ATOM 0 HA LEU A 6 -3.239 12.049 -12.458 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -1.166 10.496 -14.060 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -1.320 10.451 -12.315 1.00 10.00 H new ATOM 0 HG LEU A 6 -3.450 9.578 -14.278 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -2.865 7.252 -13.508 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -1.484 8.056 -14.292 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -1.553 7.934 -12.518 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -4.558 8.511 -12.327 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -3.328 9.224 -11.256 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -4.446 10.278 -12.153 1.00 10.00 H new ATOM 113 N THR A 7 -1.558 13.687 -11.826 1.00 10.00 N ATOM 114 CA THR A 7 -0.660 14.718 -11.301 1.00 10.00 C ATOM 115 C THR A 7 -0.246 14.364 -9.872 1.00 10.00 C ATOM 116 O THR A 7 -0.739 13.392 -9.299 1.00 10.00 O ATOM 117 CB THR A 7 -1.352 16.098 -11.287 1.00 10.00 C ATOM 118 OG1 THR A 7 -2.353 16.159 -10.286 1.00 10.00 O ATOM 119 CG2 THR A 7 -1.968 16.501 -12.627 1.00 10.00 C ATOM 0 H THR A 7 -2.320 13.479 -11.181 1.00 10.00 H new ATOM 0 HA THR A 7 0.215 14.764 -11.949 1.00 10.00 H new ATOM 0 HB THR A 7 -0.553 16.807 -11.071 1.00 10.00 H new ATOM 0 HG1 THR A 7 -3.184 15.769 -10.630 1.00 10.00 H new ATOM 0 HG21 THR A 7 -2.434 17.482 -12.533 1.00 10.00 H new ATOM 0 HG22 THR A 7 -1.189 16.541 -13.388 1.00 10.00 H new ATOM 0 HG23 THR A 7 -2.721 15.768 -12.916 1.00 10.00 H new ATOM 127 N GLU A 8 0.598 15.201 -9.260 1.00 10.00 N ATOM 128 CA GLU A 8 1.007 15.093 -7.855 1.00 10.00 C ATOM 129 C GLU A 8 -0.174 14.889 -6.885 1.00 10.00 C ATOM 130 O GLU A 8 -0.010 14.218 -5.871 1.00 10.00 O ATOM 131 CB GLU A 8 1.815 16.343 -7.445 1.00 10.00 C ATOM 132 CG GLU A 8 2.900 16.794 -8.439 1.00 10.00 C ATOM 133 CD GLU A 8 3.855 15.661 -8.822 1.00 10.00 C ATOM 134 OE1 GLU A 8 4.827 15.445 -8.066 1.00 10.00 O ATOM 135 OE2 GLU A 8 3.583 15.026 -9.866 1.00 10.00 O ATOM 0 H GLU A 8 1.027 15.992 -9.740 1.00 10.00 H new ATOM 0 HA GLU A 8 1.627 14.200 -7.780 1.00 10.00 H new ATOM 0 HB2 GLU A 8 1.120 17.169 -7.295 1.00 10.00 H new ATOM 0 HB3 GLU A 8 2.289 16.147 -6.483 1.00 10.00 H new ATOM 0 HG2 GLU A 8 2.424 17.183 -9.339 1.00 10.00 H new ATOM 0 HG3 GLU A 8 3.471 17.613 -8.001 1.00 10.00 H new ATOM 142 N GLY A 9 -1.372 15.406 -7.206 1.00 10.00 N ATOM 143 CA GLY A 9 -2.573 15.215 -6.391 1.00 10.00 C ATOM 144 C GLY A 9 -3.249 13.858 -6.612 1.00 10.00 C ATOM 145 O GLY A 9 -3.523 13.139 -5.652 1.00 10.00 O ATOM 0 H GLY A 9 -1.530 15.969 -8.042 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -2.308 15.313 -5.338 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -3.286 16.008 -6.616 1.00 10.00 H new ATOM 149 N ASP A 10 -3.492 13.481 -7.872 1.00 10.00 N ATOM 150 CA ASP A 10 -4.123 12.208 -8.241 1.00 10.00 C ATOM 151 C ASP A 10 -3.249 11.018 -7.820 1.00 10.00 C ATOM 152 O ASP A 10 -3.743 10.021 -7.289 1.00 10.00 O ATOM 153 CB ASP A 10 -4.353 12.148 -9.763 1.00 10.00 C ATOM 154 CG ASP A 10 -4.829 13.468 -10.372 1.00 10.00 C ATOM 155 OD1 ASP A 10 -3.945 14.353 -10.519 1.00 10.00 O ATOM 156 OD2 ASP A 10 -6.034 13.571 -10.688 1.00 10.00 O ATOM 0 H ASP A 10 -3.252 14.060 -8.677 1.00 10.00 H new ATOM 0 HA ASP A 10 -5.079 12.148 -7.721 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -3.424 11.849 -10.249 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -5.089 11.374 -9.979 1.00 10.00 H new ATOM 161 N LEU A 11 -1.934 11.142 -8.038 1.00 10.00 N ATOM 162 CA LEU A 11 -0.956 10.141 -7.636 1.00 10.00 C ATOM 163 C LEU A 11 -0.829 10.063 -6.110 1.00 10.00 C ATOM 164 O LEU A 11 -0.658 8.961 -5.594 1.00 10.00 O ATOM 165 CB LEU A 11 0.401 10.443 -8.296 1.00 10.00 C ATOM 166 CG LEU A 11 0.420 10.368 -9.837 1.00 10.00 C ATOM 167 CD1 LEU A 11 1.825 10.691 -10.353 1.00 10.00 C ATOM 168 CD2 LEU A 11 0.004 8.993 -10.372 1.00 10.00 C ATOM 0 H LEU A 11 -1.522 11.951 -8.504 1.00 10.00 H new ATOM 0 HA LEU A 11 -1.300 9.164 -7.976 1.00 10.00 H new ATOM 0 HB2 LEU A 11 0.718 11.441 -7.994 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.139 9.742 -7.906 1.00 10.00 H new ATOM 0 HG LEU A 11 -0.306 11.098 -10.195 1.00 10.00 H new ATOM 0 HD11 LEU A 11 1.834 10.637 -11.442 1.00 10.00 H new ATOM 0 HD12 LEU A 11 2.107 11.696 -10.037 1.00 10.00 H new ATOM 0 HD13 LEU A 11 2.536 9.971 -9.948 1.00 10.00 H new ATOM 0 HD21 LEU A 11 0.037 9.001 -11.461 1.00 10.00 H new ATOM 0 HD22 LEU A 11 0.688 8.233 -9.994 1.00 10.00 H new ATOM 0 HD23 LEU A 11 -1.009 8.765 -10.041 1.00 10.00 H new ATOM 180 N ASP A 12 -0.946 11.178 -5.370 1.00 10.00 N ATOM 181 CA ASP A 12 -1.027 11.123 -3.907 1.00 10.00 C ATOM 182 C ASP A 12 -2.339 10.539 -3.362 1.00 10.00 C ATOM 183 O ASP A 12 -2.297 9.833 -2.356 1.00 10.00 O ATOM 184 CB ASP A 12 -0.608 12.417 -3.206 1.00 10.00 C ATOM 185 CG ASP A 12 -0.222 12.121 -1.749 1.00 10.00 C ATOM 186 OD1 ASP A 12 0.476 11.094 -1.534 1.00 10.00 O ATOM 187 OD2 ASP A 12 -0.623 12.912 -0.869 1.00 10.00 O ATOM 0 H ASP A 12 -0.986 12.120 -5.760 1.00 10.00 H new ATOM 0 HA ASP A 12 -0.264 10.392 -3.638 1.00 10.00 H new ATOM 0 HB2 ASP A 12 0.234 12.868 -3.730 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -1.425 13.138 -3.236 1.00 10.00 H new ATOM 192 N GLU A 13 -3.502 10.777 -3.995 1.00 10.00 N ATOM 193 CA GLU A 13 -4.723 10.044 -3.616 1.00 10.00 C ATOM 194 C GLU A 13 -4.464 8.532 -3.690 1.00 10.00 C ATOM 195 O GLU A 13 -4.799 7.803 -2.753 1.00 10.00 O ATOM 196 CB GLU A 13 -5.941 10.439 -4.483 1.00 10.00 C ATOM 197 CG GLU A 13 -7.221 9.735 -3.988 1.00 10.00 C ATOM 198 CD GLU A 13 -8.468 10.033 -4.833 1.00 10.00 C ATOM 199 OE1 GLU A 13 -8.683 9.370 -5.876 1.00 10.00 O ATOM 200 OE2 GLU A 13 -9.311 10.854 -4.406 1.00 10.00 O ATOM 0 H GLU A 13 -3.622 11.452 -4.751 1.00 10.00 H new ATOM 0 HA GLU A 13 -4.971 10.318 -2.591 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -6.080 11.520 -4.451 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -5.754 10.172 -5.523 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -7.050 8.658 -3.979 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -7.413 10.036 -2.958 1.00 10.00 H new ATOM 207 N ILE A 14 -3.777 8.075 -4.748 1.00 10.00 N ATOM 208 CA ILE A 14 -3.317 6.685 -4.855 1.00 10.00 C ATOM 209 C ILE A 14 -2.273 6.352 -3.769 1.00 10.00 C ATOM 210 O ILE A 14 -2.446 5.346 -3.082 1.00 10.00 O ATOM 211 CB ILE A 14 -2.853 6.399 -6.305 1.00 10.00 C ATOM 212 CG1 ILE A 14 -4.091 6.399 -7.237 1.00 10.00 C ATOM 213 CG2 ILE A 14 -2.093 5.065 -6.396 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.795 6.172 -8.727 1.00 10.00 C ATOM 0 H ILE A 14 -3.527 8.656 -5.548 1.00 10.00 H new ATOM 0 HA ILE A 14 -4.144 6.003 -4.656 1.00 10.00 H new ATOM 0 HB ILE A 14 -2.161 7.180 -6.620 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.779 5.624 -6.899 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.607 7.353 -7.128 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -1.781 4.894 -7.426 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.214 5.102 -5.752 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -2.744 4.252 -6.074 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.728 6.190 -9.290 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -3.136 6.960 -9.091 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -3.311 5.204 -8.858 1.00 10.00 H new ATOM 226 N SER A 15 -1.254 7.190 -3.520 1.00 10.00 N ATOM 227 CA SER A 15 -0.227 6.909 -2.495 1.00 10.00 C ATOM 228 C SER A 15 -0.858 6.735 -1.103 1.00 10.00 C ATOM 229 O SER A 15 -0.570 5.755 -0.405 1.00 10.00 O ATOM 230 CB SER A 15 0.879 7.993 -2.497 1.00 10.00 C ATOM 231 OG SER A 15 0.935 8.750 -1.294 1.00 10.00 O ATOM 0 H SER A 15 -1.116 8.071 -4.015 1.00 10.00 H new ATOM 0 HA SER A 15 0.249 5.963 -2.751 1.00 10.00 H new ATOM 0 HB2 SER A 15 1.845 7.515 -2.661 1.00 10.00 H new ATOM 0 HB3 SER A 15 0.712 8.670 -3.335 1.00 10.00 H new ATOM 0 HG SER A 15 0.339 9.525 -1.367 1.00 10.00 H new ATOM 237 N SER A 16 -1.814 7.604 -0.753 1.00 10.00 N ATOM 238 CA SER A 16 -2.568 7.499 0.492 1.00 10.00 C ATOM 239 C SER A 16 -3.499 6.291 0.491 1.00 10.00 C ATOM 240 O SER A 16 -3.644 5.673 1.543 1.00 10.00 O ATOM 241 CB SER A 16 -3.385 8.762 0.763 1.00 10.00 C ATOM 242 OG SER A 16 -4.007 8.640 2.034 1.00 10.00 O ATOM 0 H SER A 16 -2.084 8.401 -1.330 1.00 10.00 H new ATOM 0 HA SER A 16 -1.831 7.374 1.285 1.00 10.00 H new ATOM 0 HB2 SER A 16 -2.740 9.641 0.741 1.00 10.00 H new ATOM 0 HB3 SER A 16 -4.137 8.899 -0.014 1.00 10.00 H new ATOM 0 HG SER A 16 -4.533 9.446 2.219 1.00 10.00 H new ATOM 248 N PHE A 17 -4.130 5.944 -0.640 1.00 10.00 N ATOM 249 CA PHE A 17 -4.986 4.761 -0.732 1.00 10.00 C ATOM 250 C PHE A 17 -4.207 3.473 -0.435 1.00 10.00 C ATOM 251 O PHE A 17 -4.700 2.629 0.319 1.00 10.00 O ATOM 252 CB PHE A 17 -5.657 4.703 -2.112 1.00 10.00 C ATOM 253 CG PHE A 17 -6.672 3.588 -2.262 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.937 3.705 -1.654 1.00 10.00 C ATOM 255 CD2 PHE A 17 -6.359 2.435 -3.009 1.00 10.00 C ATOM 256 CE1 PHE A 17 -8.882 2.672 -1.786 1.00 10.00 C ATOM 257 CE2 PHE A 17 -7.305 1.403 -3.141 1.00 10.00 C ATOM 258 CZ PHE A 17 -8.565 1.521 -2.529 1.00 10.00 C ATOM 0 H PHE A 17 -4.060 6.474 -1.509 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.763 4.842 0.029 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.150 5.656 -2.305 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.887 4.583 -2.874 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -8.182 4.590 -1.085 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -5.392 2.344 -3.481 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -9.851 2.763 -1.317 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -7.063 0.519 -3.713 1.00 10.00 H new ATOM 0 HZ PHE A 17 -9.290 0.727 -2.630 1.00 10.00 H new ATOM 268 N LEU A 18 -2.979 3.327 -0.955 1.00 10.00 N ATOM 269 CA LEU A 18 -2.144 2.168 -0.627 1.00 10.00 C ATOM 270 C LEU A 18 -1.582 2.222 0.794 1.00 10.00 C ATOM 271 O LEU A 18 -1.633 1.201 1.481 1.00 10.00 O ATOM 272 CB LEU A 18 -1.014 1.964 -1.648 1.00 10.00 C ATOM 273 CG LEU A 18 -1.436 1.448 -3.038 1.00 10.00 C ATOM 274 CD1 LEU A 18 -2.615 0.471 -3.006 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.763 2.576 -4.008 1.00 10.00 C ATOM 0 H LEU A 18 -2.548 3.991 -1.598 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.808 1.305 -0.678 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.495 2.914 -1.778 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -0.294 1.262 -1.226 1.00 10.00 H new ATOM 0 HG LEU A 18 -0.558 0.908 -3.391 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -2.852 0.153 -4.021 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -2.350 -0.400 -2.406 1.00 10.00 H new ATOM 0 HD13 LEU A 18 -3.483 0.963 -2.568 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -2.054 2.155 -4.971 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -2.584 3.172 -3.610 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -0.885 3.209 -4.139 1.00 10.00 H new ATOM 287 N HIS A 19 -1.116 3.384 1.272 1.00 10.00 N ATOM 288 CA HIS A 19 -0.686 3.515 2.667 1.00 10.00 C ATOM 289 C HIS A 19 -1.811 3.120 3.637 1.00 10.00 C ATOM 290 O HIS A 19 -1.596 2.284 4.518 1.00 10.00 O ATOM 291 CB HIS A 19 -0.175 4.941 2.920 1.00 10.00 C ATOM 292 CG HIS A 19 0.293 5.205 4.334 1.00 10.00 C ATOM 293 ND1 HIS A 19 0.344 6.437 4.945 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.742 4.291 5.253 1.00 10.00 C ATOM 295 CE1 HIS A 19 0.809 6.264 6.195 1.00 10.00 C ATOM 296 NE2 HIS A 19 1.063 4.969 6.430 1.00 10.00 N ATOM 0 H HIS A 19 -1.028 4.237 0.719 1.00 10.00 H new ATOM 0 HA HIS A 19 0.136 2.824 2.852 1.00 10.00 H new ATOM 0 HB2 HIS A 19 0.649 5.143 2.236 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.971 5.645 2.678 1.00 10.00 H new ATOM 0 HD2 HIS A 19 0.832 3.227 5.093 1.00 10.00 H new ATOM 0 HE1 HIS A 19 0.957 7.059 6.911 1.00 10.00 H new ATOM 0 HE2 HIS A 19 1.419 4.561 7.295 1.00 10.00 H new ATOM 304 N ASN A 20 -3.024 3.639 3.417 1.00 10.00 N ATOM 305 CA ASN A 20 -4.204 3.271 4.192 1.00 10.00 C ATOM 306 C ASN A 20 -4.568 1.790 4.013 1.00 10.00 C ATOM 307 O ASN A 20 -4.888 1.133 4.995 1.00 10.00 O ATOM 308 CB ASN A 20 -5.380 4.188 3.819 1.00 10.00 C ATOM 309 CG ASN A 20 -5.159 5.650 4.209 1.00 10.00 C ATOM 310 OD1 ASN A 20 -4.355 5.990 5.063 1.00 10.00 O ATOM 311 ND2 ASN A 20 -5.875 6.573 3.592 1.00 10.00 N ATOM 0 H ASN A 20 -3.211 4.330 2.691 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.975 3.408 5.249 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -5.550 4.128 2.744 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -6.284 3.823 4.306 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -5.753 7.557 3.831 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -6.550 6.301 2.877 1.00 10.00 H new ATOM 318 N THR A 21 -4.437 1.218 2.796 1.00 10.00 N ATOM 319 CA THR A 21 -4.744 -0.207 2.550 1.00 10.00 C ATOM 320 C THR A 21 -3.832 -1.130 3.369 1.00 10.00 C ATOM 321 O THR A 21 -4.330 -2.042 4.029 1.00 10.00 O ATOM 322 CB THR A 21 -4.609 -0.543 1.041 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.535 0.212 0.304 1.00 10.00 O ATOM 324 CG2 THR A 21 -4.889 -2.014 0.725 1.00 10.00 C ATOM 0 H THR A 21 -4.120 1.723 1.968 1.00 10.00 H new ATOM 0 HA THR A 21 -5.774 -0.376 2.865 1.00 10.00 H new ATOM 0 HB THR A 21 -3.578 -0.313 0.774 1.00 10.00 H new ATOM 0 HG1 THR A 21 -5.404 1.165 0.493 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.778 -2.184 -0.346 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.183 -2.643 1.267 1.00 10.00 H new ATOM 0 HG23 THR A 21 -5.906 -2.264 1.029 1.00 10.00 H new ATOM 332 N ILE A 22 -2.516 -0.875 3.384 1.00 10.00 N ATOM 333 CA ILE A 22 -1.564 -1.670 4.173 1.00 10.00 C ATOM 334 C ILE A 22 -1.763 -1.417 5.675 1.00 10.00 C ATOM 335 O ILE A 22 -1.787 -2.371 6.448 1.00 10.00 O ATOM 336 CB ILE A 22 -0.115 -1.359 3.744 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.083 -1.666 2.255 1.00 10.00 C ATOM 338 CG2 ILE A 22 0.928 -2.159 4.549 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.508 -1.401 1.776 1.00 10.00 C ATOM 0 H ILE A 22 -2.084 -0.118 2.854 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.753 -2.727 3.983 1.00 10.00 H new ATOM 0 HB ILE A 22 0.039 -0.298 3.941 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -0.169 -2.710 2.068 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.610 -1.061 1.670 1.00 10.00 H new ATOM 0 HG21 ILE A 22 1.929 -1.900 4.205 1.00 10.00 H new ATOM 0 HG22 ILE A 22 0.834 -1.917 5.608 1.00 10.00 H new ATOM 0 HG23 ILE A 22 0.759 -3.226 4.404 1.00 10.00 H new ATOM 0 HD11 ILE A 22 1.585 -1.637 0.715 1.00 10.00 H new ATOM 0 HD12 ILE A 22 1.755 -0.351 1.933 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.203 -2.025 2.338 1.00 10.00 H new ATOM 351 N SER A 23 -1.951 -0.156 6.083 1.00 10.00 N ATOM 352 CA SER A 23 -2.235 0.200 7.476 1.00 10.00 C ATOM 353 C SER A 23 -3.486 -0.519 8.003 1.00 10.00 C ATOM 354 O SER A 23 -3.407 -1.225 9.010 1.00 10.00 O ATOM 355 CB SER A 23 -2.374 1.720 7.605 1.00 10.00 C ATOM 356 OG SER A 23 -2.480 2.079 8.967 1.00 10.00 O ATOM 0 H SER A 23 -1.910 0.646 5.455 1.00 10.00 H new ATOM 0 HA SER A 23 -1.398 -0.131 8.091 1.00 10.00 H new ATOM 0 HB2 SER A 23 -1.511 2.212 7.156 1.00 10.00 H new ATOM 0 HB3 SER A 23 -3.254 2.061 7.060 1.00 10.00 H new ATOM 0 HG SER A 23 -2.567 3.052 9.043 1.00 10.00 H new ATOM 362 N ASP A 24 -4.608 -0.456 7.276 1.00 10.00 N ATOM 363 CA ASP A 24 -5.818 -1.214 7.593 1.00 10.00 C ATOM 364 C ASP A 24 -5.605 -2.731 7.572 1.00 10.00 C ATOM 365 O ASP A 24 -6.130 -3.403 8.457 1.00 10.00 O ATOM 366 CB ASP A 24 -6.963 -0.844 6.636 1.00 10.00 C ATOM 367 CG ASP A 24 -7.696 0.456 6.996 1.00 10.00 C ATOM 368 OD1 ASP A 24 -7.039 1.462 7.330 1.00 10.00 O ATOM 369 OD2 ASP A 24 -8.950 0.389 6.981 1.00 10.00 O ATOM 0 H ASP A 24 -4.699 0.128 6.445 1.00 10.00 H new ATOM 0 HA ASP A 24 -6.083 -0.937 8.613 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.561 -0.753 5.627 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.685 -1.661 6.619 1.00 10.00 H new ATOM 374 N PHE A 25 -4.821 -3.286 6.636 1.00 10.00 N ATOM 375 CA PHE A 25 -4.522 -4.722 6.635 1.00 10.00 C ATOM 376 C PHE A 25 -3.782 -5.134 7.916 1.00 10.00 C ATOM 377 O PHE A 25 -4.173 -6.102 8.574 1.00 10.00 O ATOM 378 CB PHE A 25 -3.703 -5.072 5.379 1.00 10.00 C ATOM 379 CG PHE A 25 -3.401 -6.550 5.193 1.00 10.00 C ATOM 380 CD1 PHE A 25 -2.400 -7.178 5.963 1.00 10.00 C ATOM 381 CD2 PHE A 25 -4.079 -7.290 4.205 1.00 10.00 C ATOM 382 CE1 PHE A 25 -2.077 -8.528 5.743 1.00 10.00 C ATOM 383 CE2 PHE A 25 -3.769 -8.646 3.998 1.00 10.00 C ATOM 384 CZ PHE A 25 -2.764 -9.260 4.761 1.00 10.00 C ATOM 0 H PHE A 25 -4.386 -2.764 5.875 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.458 -5.281 6.613 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.243 -4.715 4.502 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.760 -4.527 5.417 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.879 -6.618 6.726 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -4.840 -6.814 3.604 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -1.302 -9.001 6.328 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -4.304 -9.215 3.252 1.00 10.00 H new ATOM 0 HZ PHE A 25 -2.518 -10.298 4.593 1.00 10.00 H new ATOM 394 N ILE A 26 -2.767 -4.358 8.320 1.00 10.00 N ATOM 395 CA ILE A 26 -1.992 -4.597 9.528 1.00 10.00 C ATOM 396 C ILE A 26 -2.905 -4.453 10.752 1.00 10.00 C ATOM 397 O ILE A 26 -3.037 -5.413 11.509 1.00 10.00 O ATOM 398 CB ILE A 26 -0.782 -3.634 9.516 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.240 -4.097 8.448 1.00 10.00 C ATOM 400 CG2 ILE A 26 -0.109 -3.552 10.888 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.343 -3.072 8.154 1.00 10.00 C ATOM 0 H ILE A 26 -2.462 -3.534 7.802 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.594 -5.611 9.574 1.00 10.00 H new ATOM 0 HB ILE A 26 -1.146 -2.637 9.269 1.00 10.00 H new ATOM 0 HG12 ILE A 26 0.702 -5.027 8.781 1.00 10.00 H new ATOM 0 HG13 ILE A 26 -0.292 -4.318 7.523 1.00 10.00 H new ATOM 0 HG21 ILE A 26 0.736 -2.866 10.838 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.827 -3.191 11.624 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.244 -4.541 11.180 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.018 -3.471 7.397 1.00 10.00 H new ATOM 0 HD12 ILE A 26 0.894 -2.148 7.790 1.00 10.00 H new ATOM 0 HD13 ILE A 26 1.903 -2.868 9.067 1.00 10.00 H new ATOM 413 N LEU A 27 -3.627 -3.332 10.894 1.00 10.00 N ATOM 414 CA LEU A 27 -4.523 -3.080 12.031 1.00 10.00 C ATOM 415 C LEU A 27 -5.702 -4.066 12.126 1.00 10.00 C ATOM 416 O LEU A 27 -6.278 -4.207 13.204 1.00 10.00 O ATOM 417 CB LEU A 27 -5.027 -1.619 11.990 1.00 10.00 C ATOM 418 CG LEU A 27 -4.174 -0.580 12.750 1.00 10.00 C ATOM 419 CD1 LEU A 27 -4.246 -0.795 14.267 1.00 10.00 C ATOM 420 CD2 LEU A 27 -2.700 -0.548 12.337 1.00 10.00 C ATOM 0 H LEU A 27 -3.605 -2.569 10.217 1.00 10.00 H new ATOM 0 HA LEU A 27 -3.934 -3.243 12.934 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -5.094 -1.309 10.947 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -6.038 -1.594 12.396 1.00 10.00 H new ATOM 0 HG LEU A 27 -4.614 0.379 12.475 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -3.634 -0.046 14.770 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -5.280 -0.701 14.599 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -3.875 -1.790 14.511 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -2.175 0.209 12.920 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -2.250 -1.524 12.520 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -2.624 -0.307 11.277 1.00 10.00 H new ATOM 432 N LYS A 28 -6.049 -4.765 11.034 1.00 10.00 N ATOM 433 CA LYS A 28 -7.096 -5.800 11.008 1.00 10.00 C ATOM 434 C LYS A 28 -6.530 -7.229 11.074 1.00 10.00 C ATOM 435 O LYS A 28 -7.319 -8.173 11.106 1.00 10.00 O ATOM 436 CB LYS A 28 -8.022 -5.580 9.797 1.00 10.00 C ATOM 437 CG LYS A 28 -8.774 -4.238 9.905 1.00 10.00 C ATOM 438 CD LYS A 28 -9.456 -3.836 8.591 1.00 10.00 C ATOM 439 CE LYS A 28 -9.765 -2.335 8.643 1.00 10.00 C ATOM 440 NZ LYS A 28 -10.303 -1.829 7.361 1.00 10.00 N ATOM 0 H LYS A 28 -5.602 -4.625 10.128 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.693 -5.696 11.914 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -7.435 -5.598 8.879 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -8.740 -6.398 9.732 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -9.524 -4.309 10.693 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -8.074 -3.456 10.201 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -8.808 -4.060 7.744 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -10.374 -4.407 8.450 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -10.485 -2.142 9.438 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -8.857 -1.788 8.895 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -9.949 -0.866 7.192 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -9.997 -2.452 6.586 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -11.342 -1.813 7.403 1.00 10.00 H new ATOM 454 N ARG A 29 -5.200 -7.399 11.165 1.00 10.00 N ATOM 455 CA ARG A 29 -4.549 -8.690 11.456 1.00 10.00 C ATOM 456 C ARG A 29 -3.765 -8.738 12.776 1.00 10.00 C ATOM 457 O ARG A 29 -3.746 -9.794 13.401 1.00 10.00 O ATOM 458 CB ARG A 29 -3.602 -9.082 10.314 1.00 10.00 C ATOM 459 CG ARG A 29 -4.279 -9.779 9.123 1.00 10.00 C ATOM 460 CD ARG A 29 -3.208 -10.648 8.453 1.00 10.00 C ATOM 461 NE ARG A 29 -3.678 -11.382 7.267 1.00 10.00 N ATOM 462 CZ ARG A 29 -2.940 -12.276 6.612 1.00 10.00 C ATOM 463 NH1 ARG A 29 -1.796 -12.701 7.092 1.00 10.00 N ATOM 464 NH2 ARG A 29 -3.324 -12.738 5.448 1.00 10.00 N ATOM 0 H ARG A 29 -4.537 -6.634 11.037 1.00 10.00 H new ATOM 0 HA ARG A 29 -5.373 -9.397 11.555 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -3.100 -8.184 9.953 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -2.830 -9.741 10.711 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -5.118 -10.389 9.458 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -4.677 -9.046 8.421 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -2.370 -10.013 8.165 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -2.829 -11.364 9.182 1.00 10.00 H new ATOM 0 HE ARG A 29 -4.622 -11.195 6.928 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -1.454 -12.346 7.985 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -1.248 -13.386 6.572 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -4.197 -12.413 5.033 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -2.750 -13.423 4.956 1.00 10.00 H new ATOM 478 N VAL A 30 -3.129 -7.643 13.202 1.00 10.00 N ATOM 479 CA VAL A 30 -2.248 -7.585 14.380 1.00 10.00 C ATOM 480 C VAL A 30 -2.516 -6.296 15.166 1.00 10.00 C ATOM 481 O VAL A 30 -2.761 -5.237 14.582 1.00 10.00 O ATOM 482 CB VAL A 30 -0.771 -7.745 13.943 1.00 10.00 C ATOM 483 CG1 VAL A 30 -0.277 -6.677 12.958 1.00 10.00 C ATOM 484 CG2 VAL A 30 0.191 -7.789 15.132 1.00 10.00 C ATOM 0 H VAL A 30 -3.213 -6.745 12.726 1.00 10.00 H new ATOM 0 HA VAL A 30 -2.462 -8.413 15.056 1.00 10.00 H new ATOM 0 HB VAL A 30 -0.767 -8.703 13.424 1.00 10.00 H new ATOM 0 HG11 VAL A 30 0.767 -6.868 12.708 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -0.880 -6.712 12.051 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -0.366 -5.691 13.415 1.00 10.00 H new ATOM 0 HG21 VAL A 30 1.213 -7.902 14.769 1.00 10.00 H new ATOM 0 HG22 VAL A 30 0.108 -6.863 15.701 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -0.062 -8.633 15.774 1.00 10.00 H new ATOM 494 N SER A 31 -2.515 -6.374 16.500 1.00 10.00 N ATOM 495 CA SER A 31 -2.841 -5.231 17.349 1.00 10.00 C ATOM 496 C SER A 31 -1.654 -4.281 17.464 1.00 10.00 C ATOM 497 O SER A 31 -0.547 -4.706 17.771 1.00 10.00 O ATOM 498 CB SER A 31 -3.213 -5.700 18.758 1.00 10.00 C ATOM 499 OG SER A 31 -3.657 -4.590 19.523 1.00 10.00 O ATOM 0 H SER A 31 -2.290 -7.225 17.016 1.00 10.00 H new ATOM 0 HA SER A 31 -3.683 -4.714 16.889 1.00 10.00 H new ATOM 0 HB2 SER A 31 -3.996 -6.457 18.706 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.352 -6.165 19.238 1.00 10.00 H new ATOM 0 HG SER A 31 -3.897 -4.889 20.425 1.00 10.00 H new ATOM 505 N ALA A 32 -1.901 -2.975 17.356 1.00 10.00 N ATOM 506 CA ALA A 32 -0.941 -1.922 17.663 1.00 10.00 C ATOM 507 C ALA A 32 -0.274 -2.082 19.044 1.00 10.00 C ATOM 508 O ALA A 32 0.852 -1.635 19.216 1.00 10.00 O ATOM 509 CB ALA A 32 -1.637 -0.565 17.522 1.00 10.00 C ATOM 0 H ALA A 32 -2.802 -2.613 17.043 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.121 -1.994 16.948 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -0.929 0.232 17.749 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -2.001 -0.447 16.501 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -2.477 -0.513 18.215 1.00 10.00 H new ATOM 515 N LYS A 33 -0.913 -2.763 20.011 1.00 10.00 N ATOM 516 CA LYS A 33 -0.293 -3.130 21.298 1.00 10.00 C ATOM 517 C LYS A 33 0.934 -4.049 21.162 1.00 10.00 C ATOM 518 O LYS A 33 1.740 -4.113 22.083 1.00 10.00 O ATOM 519 CB LYS A 33 -1.334 -3.791 22.213 1.00 10.00 C ATOM 520 CG LYS A 33 -2.465 -2.827 22.596 1.00 10.00 C ATOM 521 CD LYS A 33 -3.426 -3.494 23.586 1.00 10.00 C ATOM 522 CE LYS A 33 -4.526 -2.505 23.980 1.00 10.00 C ATOM 523 NZ LYS A 33 -5.458 -3.102 24.965 1.00 10.00 N ATOM 0 H LYS A 33 -1.880 -3.076 19.922 1.00 10.00 H new ATOM 0 HA LYS A 33 0.067 -2.198 21.735 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -1.756 -4.662 21.711 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -0.844 -4.151 23.118 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -2.046 -1.923 23.039 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -3.009 -2.521 21.702 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -3.867 -4.384 23.137 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -2.882 -3.821 24.472 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -4.076 -1.606 24.400 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -5.079 -2.199 23.092 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -6.192 -2.408 25.213 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -5.904 -3.946 24.553 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -4.933 -3.371 25.821 1.00 10.00 H new ATOM 537 N GLU A 34 1.073 -4.741 20.031 1.00 10.00 N ATOM 538 CA GLU A 34 2.195 -5.619 19.678 1.00 10.00 C ATOM 539 C GLU A 34 3.245 -4.879 18.826 1.00 10.00 C ATOM 540 O GLU A 34 4.356 -5.379 18.637 1.00 10.00 O ATOM 541 CB GLU A 34 1.649 -6.807 18.857 1.00 10.00 C ATOM 542 CG GLU A 34 0.501 -7.580 19.532 1.00 10.00 C ATOM 543 CD GLU A 34 -0.169 -8.554 18.555 1.00 10.00 C ATOM 544 OE1 GLU A 34 0.461 -9.590 18.253 1.00 10.00 O ATOM 545 OE2 GLU A 34 -1.302 -8.247 18.107 1.00 10.00 O ATOM 0 H GLU A 34 0.368 -4.704 19.294 1.00 10.00 H new ATOM 0 HA GLU A 34 2.672 -5.956 20.599 1.00 10.00 H new ATOM 0 HB2 GLU A 34 1.302 -6.436 17.893 1.00 10.00 H new ATOM 0 HB3 GLU A 34 2.467 -7.499 18.656 1.00 10.00 H new ATOM 0 HG2 GLU A 34 0.886 -8.131 20.390 1.00 10.00 H new ATOM 0 HG3 GLU A 34 -0.240 -6.876 19.912 1.00 10.00 H new ATOM 552 N ILE A 35 2.893 -3.694 18.302 1.00 10.00 N ATOM 553 CA ILE A 35 3.651 -2.958 17.289 1.00 10.00 C ATOM 554 C ILE A 35 4.342 -1.747 17.922 1.00 10.00 C ATOM 555 O ILE A 35 3.701 -0.878 18.506 1.00 10.00 O ATOM 556 CB ILE A 35 2.690 -2.534 16.150 1.00 10.00 C ATOM 557 CG1 ILE A 35 1.947 -3.717 15.484 1.00 10.00 C ATOM 558 CG2 ILE A 35 3.377 -1.706 15.057 1.00 10.00 C ATOM 559 CD1 ILE A 35 2.824 -4.909 15.094 1.00 10.00 C ATOM 0 H ILE A 35 2.042 -3.209 18.585 1.00 10.00 H new ATOM 0 HA ILE A 35 4.430 -3.595 16.869 1.00 10.00 H new ATOM 0 HB ILE A 35 1.955 -1.911 16.660 1.00 10.00 H new ATOM 0 HG12 ILE A 35 1.171 -4.066 16.165 1.00 10.00 H new ATOM 0 HG13 ILE A 35 1.444 -3.350 14.589 1.00 10.00 H new ATOM 0 HG21 ILE A 35 2.649 -1.441 14.290 1.00 10.00 H new ATOM 0 HG22 ILE A 35 3.790 -0.797 15.495 1.00 10.00 H new ATOM 0 HG23 ILE A 35 4.181 -2.290 14.609 1.00 10.00 H new ATOM 0 HD11 ILE A 35 2.206 -5.681 14.636 1.00 10.00 H new ATOM 0 HD12 ILE A 35 3.584 -4.584 14.384 1.00 10.00 H new ATOM 0 HD13 ILE A 35 3.308 -5.312 15.984 1.00 10.00 H new ATOM 571 N VAL A 36 5.665 -1.678 17.764 1.00 10.00 N ATOM 572 CA VAL A 36 6.471 -0.500 18.092 1.00 10.00 C ATOM 573 C VAL A 36 6.182 0.612 17.084 1.00 10.00 C ATOM 574 O VAL A 36 5.855 1.722 17.496 1.00 10.00 O ATOM 575 CB VAL A 36 7.968 -0.878 18.113 1.00 10.00 C ATOM 576 CG1 VAL A 36 8.900 0.339 18.105 1.00 10.00 C ATOM 577 CG2 VAL A 36 8.271 -1.721 19.356 1.00 10.00 C ATOM 0 H VAL A 36 6.217 -2.454 17.398 1.00 10.00 H new ATOM 0 HA VAL A 36 6.209 -0.133 19.084 1.00 10.00 H new ATOM 0 HB VAL A 36 8.157 -1.441 17.199 1.00 10.00 H new ATOM 0 HG11 VAL A 36 9.937 0.003 18.121 1.00 10.00 H new ATOM 0 HG12 VAL A 36 8.723 0.927 17.205 1.00 10.00 H new ATOM 0 HG13 VAL A 36 8.704 0.953 18.984 1.00 10.00 H new ATOM 0 HG21 VAL A 36 9.328 -1.986 19.367 1.00 10.00 H new ATOM 0 HG22 VAL A 36 8.031 -1.148 20.252 1.00 10.00 H new ATOM 0 HG23 VAL A 36 7.670 -2.630 19.335 1.00 10.00 H new ATOM 587 N ASP A 37 6.274 0.312 15.779 1.00 10.00 N ATOM 588 CA ASP A 37 5.931 1.255 14.703 1.00 10.00 C ATOM 589 C ASP A 37 5.795 0.556 13.331 1.00 10.00 C ATOM 590 O ASP A 37 6.056 -0.643 13.200 1.00 10.00 O ATOM 591 CB ASP A 37 6.966 2.409 14.639 1.00 10.00 C ATOM 592 CG ASP A 37 6.332 3.757 14.265 1.00 10.00 C ATOM 593 OD1 ASP A 37 5.282 3.733 13.581 1.00 10.00 O ATOM 594 OD2 ASP A 37 6.904 4.793 14.668 1.00 10.00 O ATOM 0 H ASP A 37 6.590 -0.596 15.439 1.00 10.00 H new ATOM 0 HA ASP A 37 4.954 1.675 14.941 1.00 10.00 H new ATOM 0 HB2 ASP A 37 7.461 2.501 15.606 1.00 10.00 H new ATOM 0 HB3 ASP A 37 7.736 2.160 13.909 1.00 10.00 H new ATOM 599 N ILE A 38 5.427 1.320 12.296 1.00 10.00 N ATOM 600 CA ILE A 38 5.424 0.895 10.889 1.00 10.00 C ATOM 601 C ILE A 38 6.097 1.940 9.992 1.00 10.00 C ATOM 602 O ILE A 38 5.903 3.141 10.161 1.00 10.00 O ATOM 603 CB ILE A 38 3.992 0.596 10.366 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.989 1.756 10.586 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.481 -0.723 10.958 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.570 1.482 10.065 1.00 10.00 C ATOM 0 H ILE A 38 5.113 2.283 12.417 1.00 10.00 H new ATOM 0 HA ILE A 38 5.996 -0.032 10.847 1.00 10.00 H new ATOM 0 HB ILE A 38 4.066 0.494 9.283 1.00 10.00 H new ATOM 0 HG12 ILE A 38 2.934 1.974 11.653 1.00 10.00 H new ATOM 0 HG13 ILE A 38 3.375 2.650 10.097 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.477 -0.924 10.586 1.00 10.00 H new ATOM 0 HG22 ILE A 38 4.146 -1.535 10.665 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.457 -0.649 12.045 1.00 10.00 H new ATOM 0 HD11 ILE A 38 0.937 2.347 10.262 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.606 1.295 8.992 1.00 10.00 H new ATOM 0 HD13 ILE A 38 1.159 0.609 10.571 1.00 10.00 H new ATOM 618 N ASP A 39 6.830 1.462 8.984 1.00 10.00 N ATOM 619 CA ASP A 39 7.336 2.281 7.878 1.00 10.00 C ATOM 620 C ASP A 39 6.634 1.824 6.606 1.00 10.00 C ATOM 621 O ASP A 39 6.743 0.660 6.236 1.00 10.00 O ATOM 622 CB ASP A 39 8.858 2.145 7.682 1.00 10.00 C ATOM 623 CG ASP A 39 9.721 2.972 8.631 1.00 10.00 C ATOM 624 OD1 ASP A 39 9.337 4.124 8.918 1.00 10.00 O ATOM 625 OD2 ASP A 39 10.807 2.460 8.996 1.00 10.00 O ATOM 0 H ASP A 39 7.093 0.479 8.911 1.00 10.00 H new ATOM 0 HA ASP A 39 7.135 3.327 8.108 1.00 10.00 H new ATOM 0 HB2 ASP A 39 9.129 1.095 7.795 1.00 10.00 H new ATOM 0 HB3 ASP A 39 9.101 2.428 6.658 1.00 10.00 H new ATOM 630 N ILE A 40 5.931 2.727 5.918 1.00 10.00 N ATOM 631 CA ILE A 40 5.316 2.442 4.619 1.00 10.00 C ATOM 632 C ILE A 40 5.687 3.565 3.660 1.00 10.00 C ATOM 633 O ILE A 40 5.388 4.733 3.898 1.00 10.00 O ATOM 634 CB ILE A 40 3.791 2.225 4.743 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.516 0.890 5.466 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.150 2.167 3.341 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.101 0.723 6.000 1.00 10.00 C ATOM 0 H ILE A 40 5.772 3.679 6.247 1.00 10.00 H new ATOM 0 HA ILE A 40 5.700 1.503 4.219 1.00 10.00 H new ATOM 0 HB ILE A 40 3.364 3.053 5.308 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.726 0.072 4.777 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.215 0.794 6.297 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.075 2.014 3.438 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.337 3.104 2.816 1.00 10.00 H new ATOM 0 HG23 ILE A 40 3.584 1.342 2.776 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.009 -0.246 6.490 1.00 10.00 H new ATOM 0 HD12 ILE A 40 1.887 1.515 6.718 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.391 0.781 5.175 1.00 10.00 H new ATOM 649 N THR A 41 6.360 3.189 2.573 1.00 10.00 N ATOM 650 CA THR A 41 6.753 4.081 1.487 1.00 10.00 C ATOM 651 C THR A 41 6.111 3.593 0.192 1.00 10.00 C ATOM 652 O THR A 41 6.309 2.448 -0.221 1.00 10.00 O ATOM 653 CB THR A 41 8.284 4.137 1.372 1.00 10.00 C ATOM 654 OG1 THR A 41 8.827 4.586 2.590 1.00 10.00 O ATOM 655 CG2 THR A 41 8.753 5.113 0.295 1.00 10.00 C ATOM 0 H THR A 41 6.655 2.225 2.421 1.00 10.00 H new ATOM 0 HA THR A 41 6.406 5.094 1.690 1.00 10.00 H new ATOM 0 HB THR A 41 8.615 3.131 1.115 1.00 10.00 H new ATOM 0 HG1 THR A 41 9.804 4.621 2.520 1.00 10.00 H new ATOM 0 HG21 THR A 41 9.842 5.115 0.255 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.355 4.806 -0.672 1.00 10.00 H new ATOM 0 HG23 THR A 41 8.397 6.116 0.533 1.00 10.00 H new ATOM 663 N VAL A 42 5.372 4.493 -0.463 1.00 10.00 N ATOM 664 CA VAL A 42 4.834 4.297 -1.809 1.00 10.00 C ATOM 665 C VAL A 42 5.578 5.267 -2.720 1.00 10.00 C ATOM 666 O VAL A 42 5.508 6.481 -2.536 1.00 10.00 O ATOM 667 CB VAL A 42 3.310 4.537 -1.859 1.00 10.00 C ATOM 668 CG1 VAL A 42 2.776 4.298 -3.281 1.00 10.00 C ATOM 669 CG2 VAL A 42 2.546 3.611 -0.901 1.00 10.00 C ATOM 0 H VAL A 42 5.127 5.398 -0.062 1.00 10.00 H new ATOM 0 HA VAL A 42 4.980 3.266 -2.132 1.00 10.00 H new ATOM 0 HB VAL A 42 3.149 5.571 -1.555 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.700 4.471 -3.299 1.00 10.00 H new ATOM 0 HG12 VAL A 42 3.266 4.983 -3.973 1.00 10.00 H new ATOM 0 HG13 VAL A 42 2.983 3.270 -3.580 1.00 10.00 H new ATOM 0 HG21 VAL A 42 1.478 3.816 -0.971 1.00 10.00 H new ATOM 0 HG22 VAL A 42 2.734 2.572 -1.172 1.00 10.00 H new ATOM 0 HG23 VAL A 42 2.883 3.786 0.121 1.00 10.00 H new ATOM 679 N LEU A 43 6.299 4.717 -3.691 1.00 10.00 N ATOM 680 CA LEU A 43 7.002 5.451 -4.734 1.00 10.00 C ATOM 681 C LEU A 43 6.187 5.348 -6.020 1.00 10.00 C ATOM 682 O LEU A 43 5.622 4.299 -6.332 1.00 10.00 O ATOM 683 CB LEU A 43 8.417 4.876 -4.913 1.00 10.00 C ATOM 684 CG LEU A 43 9.372 5.203 -3.750 1.00 10.00 C ATOM 685 CD1 LEU A 43 10.639 4.354 -3.857 1.00 10.00 C ATOM 686 CD2 LEU A 43 9.775 6.682 -3.729 1.00 10.00 C ATOM 0 H LEU A 43 6.413 3.707 -3.775 1.00 10.00 H new ATOM 0 HA LEU A 43 7.109 6.502 -4.464 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.348 3.794 -5.021 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.842 5.263 -5.839 1.00 10.00 H new ATOM 0 HG LEU A 43 8.836 4.979 -2.828 1.00 10.00 H new ATOM 0 HD11 LEU A 43 11.308 4.593 -3.030 1.00 10.00 H new ATOM 0 HD12 LEU A 43 10.374 3.298 -3.816 1.00 10.00 H new ATOM 0 HD13 LEU A 43 11.140 4.566 -4.802 1.00 10.00 H new ATOM 0 HD21 LEU A 43 10.449 6.864 -2.892 1.00 10.00 H new ATOM 0 HD22 LEU A 43 10.279 6.935 -4.662 1.00 10.00 H new ATOM 0 HD23 LEU A 43 8.884 7.300 -3.619 1.00 10.00 H new ATOM 698 N VAL A 44 6.101 6.456 -6.751 1.00 10.00 N ATOM 699 CA VAL A 44 5.362 6.553 -8.008 1.00 10.00 C ATOM 700 C VAL A 44 6.189 7.383 -8.988 1.00 10.00 C ATOM 701 O VAL A 44 6.831 8.355 -8.592 1.00 10.00 O ATOM 702 CB VAL A 44 3.946 7.106 -7.744 1.00 10.00 C ATOM 703 CG1 VAL A 44 3.933 8.571 -7.287 1.00 10.00 C ATOM 704 CG2 VAL A 44 3.047 6.932 -8.970 1.00 10.00 C ATOM 0 H VAL A 44 6.552 7.330 -6.481 1.00 10.00 H new ATOM 0 HA VAL A 44 5.211 5.575 -8.464 1.00 10.00 H new ATOM 0 HB VAL A 44 3.552 6.515 -6.917 1.00 10.00 H new ATOM 0 HG11 VAL A 44 2.904 8.891 -7.121 1.00 10.00 H new ATOM 0 HG12 VAL A 44 4.498 8.668 -6.360 1.00 10.00 H new ATOM 0 HG13 VAL A 44 4.388 9.196 -8.056 1.00 10.00 H new ATOM 0 HG21 VAL A 44 2.056 7.331 -8.754 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.477 7.468 -9.816 1.00 10.00 H new ATOM 0 HG23 VAL A 44 2.966 5.873 -9.215 1.00 10.00 H new ATOM 714 N GLU A 45 6.216 6.964 -10.252 1.00 10.00 N ATOM 715 CA GLU A 45 7.124 7.496 -11.270 1.00 10.00 C ATOM 716 C GLU A 45 6.464 7.439 -12.653 1.00 10.00 C ATOM 717 O GLU A 45 5.628 6.569 -12.917 1.00 10.00 O ATOM 718 CB GLU A 45 8.426 6.663 -11.219 1.00 10.00 C ATOM 719 CG GLU A 45 9.494 6.957 -12.286 1.00 10.00 C ATOM 720 CD GLU A 45 10.021 8.396 -12.225 1.00 10.00 C ATOM 721 OE1 GLU A 45 9.232 9.305 -12.573 1.00 10.00 O ATOM 722 OE2 GLU A 45 11.200 8.566 -11.846 1.00 10.00 O ATOM 0 H GLU A 45 5.598 6.233 -10.605 1.00 10.00 H new ATOM 0 HA GLU A 45 7.357 8.543 -11.076 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.880 6.807 -10.239 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.156 5.610 -11.294 1.00 10.00 H new ATOM 0 HG2 GLU A 45 10.327 6.265 -12.159 1.00 10.00 H new ATOM 0 HG3 GLU A 45 9.073 6.771 -13.274 1.00 10.00 H new ATOM 729 N TYR A 46 6.884 8.333 -13.553 1.00 10.00 N ATOM 730 CA TYR A 46 6.507 8.288 -14.960 1.00 10.00 C ATOM 731 C TYR A 46 7.747 8.488 -15.841 1.00 10.00 C ATOM 732 O TYR A 46 8.226 9.606 -16.031 1.00 10.00 O ATOM 733 CB TYR A 46 5.374 9.276 -15.280 1.00 10.00 C ATOM 734 CG TYR A 46 4.683 8.874 -16.568 1.00 10.00 C ATOM 735 CD1 TYR A 46 5.353 9.013 -17.800 1.00 10.00 C ATOM 736 CD2 TYR A 46 3.448 8.199 -16.509 1.00 10.00 C ATOM 737 CE1 TYR A 46 4.855 8.368 -18.945 1.00 10.00 C ATOM 738 CE2 TYR A 46 2.922 7.592 -17.666 1.00 10.00 C ATOM 739 CZ TYR A 46 3.662 7.617 -18.868 1.00 10.00 C ATOM 740 OH TYR A 46 3.271 6.851 -19.920 1.00 10.00 O ATOM 0 H TYR A 46 7.499 9.112 -13.319 1.00 10.00 H new ATOM 0 HA TYR A 46 6.102 7.301 -15.185 1.00 10.00 H new ATOM 0 HB2 TYR A 46 4.654 9.294 -14.462 1.00 10.00 H new ATOM 0 HB3 TYR A 46 5.776 10.285 -15.373 1.00 10.00 H new ATOM 0 HD1 TYR A 46 6.248 9.614 -17.864 1.00 10.00 H new ATOM 0 HD2 TYR A 46 2.905 8.147 -15.577 1.00 10.00 H new ATOM 0 HE1 TYR A 46 5.384 8.447 -19.883 1.00 10.00 H new ATOM 0 HE2 TYR A 46 1.956 7.109 -17.634 1.00 10.00 H new ATOM 0 HH TYR A 46 4.019 6.747 -20.544 1.00 10.00 H new ATOM 750 N THR A 47 8.256 7.389 -16.403 1.00 10.00 N ATOM 751 CA THR A 47 9.448 7.363 -17.259 1.00 10.00 C ATOM 752 C THR A 47 9.121 6.568 -18.528 1.00 10.00 C ATOM 753 O THR A 47 9.360 5.368 -18.626 1.00 10.00 O ATOM 754 CB THR A 47 10.684 6.912 -16.456 1.00 10.00 C ATOM 755 OG1 THR A 47 11.842 7.056 -17.245 1.00 10.00 O ATOM 756 CG2 THR A 47 10.651 5.493 -15.876 1.00 10.00 C ATOM 0 H THR A 47 7.840 6.467 -16.273 1.00 10.00 H new ATOM 0 HA THR A 47 9.728 8.358 -17.605 1.00 10.00 H new ATOM 0 HB THR A 47 10.686 7.569 -15.586 1.00 10.00 H new ATOM 0 HG1 THR A 47 12.626 6.770 -16.731 1.00 10.00 H new ATOM 0 HG21 THR A 47 11.577 5.299 -15.335 1.00 10.00 H new ATOM 0 HG22 THR A 47 9.806 5.398 -15.194 1.00 10.00 H new ATOM 0 HG23 THR A 47 10.546 4.771 -16.686 1.00 10.00 H new ATOM 764 N ASP A 48 8.457 7.253 -19.472 1.00 10.00 N ATOM 765 CA ASP A 48 7.778 6.718 -20.671 1.00 10.00 C ATOM 766 C ASP A 48 6.567 5.820 -20.336 1.00 10.00 C ATOM 767 O ASP A 48 5.493 5.978 -20.923 1.00 10.00 O ATOM 768 CB ASP A 48 8.780 6.061 -21.638 1.00 10.00 C ATOM 769 CG ASP A 48 8.209 5.964 -23.056 1.00 10.00 C ATOM 770 OD1 ASP A 48 7.917 7.042 -23.620 1.00 10.00 O ATOM 771 OD2 ASP A 48 8.090 4.826 -23.561 1.00 10.00 O ATOM 0 H ASP A 48 8.372 8.268 -19.417 1.00 10.00 H new ATOM 0 HA ASP A 48 7.348 7.570 -21.198 1.00 10.00 H new ATOM 0 HB2 ASP A 48 9.704 6.639 -21.655 1.00 10.00 H new ATOM 0 HB3 ASP A 48 9.035 5.064 -21.278 1.00 10.00 H new ATOM 776 N GLU A 49 6.695 4.992 -19.294 1.00 10.00 N ATOM 777 CA GLU A 49 5.641 4.219 -18.633 1.00 10.00 C ATOM 778 C GLU A 49 5.369 4.754 -17.214 1.00 10.00 C ATOM 779 O GLU A 49 6.223 5.399 -16.599 1.00 10.00 O ATOM 780 CB GLU A 49 6.019 2.726 -18.593 1.00 10.00 C ATOM 781 CG GLU A 49 7.312 2.416 -17.810 1.00 10.00 C ATOM 782 CD GLU A 49 7.536 0.911 -17.597 1.00 10.00 C ATOM 783 OE1 GLU A 49 7.297 0.138 -18.551 1.00 10.00 O ATOM 784 OE2 GLU A 49 7.957 0.547 -16.475 1.00 10.00 O ATOM 0 H GLU A 49 7.604 4.834 -18.860 1.00 10.00 H new ATOM 0 HA GLU A 49 4.723 4.329 -19.210 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.196 2.167 -18.147 1.00 10.00 H new ATOM 0 HB3 GLU A 49 6.132 2.365 -19.615 1.00 10.00 H new ATOM 0 HG2 GLU A 49 8.164 2.833 -18.347 1.00 10.00 H new ATOM 0 HG3 GLU A 49 7.272 2.913 -16.841 1.00 10.00 H new ATOM 791 N LEU A 50 4.185 4.434 -16.677 1.00 10.00 N ATOM 792 CA LEU A 50 3.802 4.689 -15.284 1.00 10.00 C ATOM 793 C LEU A 50 4.301 3.527 -14.425 1.00 10.00 C ATOM 794 O LEU A 50 3.986 2.370 -14.713 1.00 10.00 O ATOM 795 CB LEU A 50 2.262 4.811 -15.219 1.00 10.00 C ATOM 796 CG LEU A 50 1.561 5.044 -13.855 1.00 10.00 C ATOM 797 CD1 LEU A 50 1.422 3.780 -12.999 1.00 10.00 C ATOM 798 CD2 LEU A 50 2.194 6.149 -13.011 1.00 10.00 C ATOM 0 H LEU A 50 3.448 3.978 -17.215 1.00 10.00 H new ATOM 0 HA LEU A 50 4.243 5.613 -14.911 1.00 10.00 H new ATOM 0 HB2 LEU A 50 1.973 5.631 -15.876 1.00 10.00 H new ATOM 0 HB3 LEU A 50 1.846 3.899 -15.646 1.00 10.00 H new ATOM 0 HG LEU A 50 0.564 5.367 -14.153 1.00 10.00 H new ATOM 0 HD11 LEU A 50 0.922 4.028 -12.063 1.00 10.00 H new ATOM 0 HD12 LEU A 50 0.834 3.038 -13.539 1.00 10.00 H new ATOM 0 HD13 LEU A 50 2.411 3.374 -12.786 1.00 10.00 H new ATOM 0 HD21 LEU A 50 1.647 6.250 -12.074 1.00 10.00 H new ATOM 0 HD22 LEU A 50 3.233 5.895 -12.799 1.00 10.00 H new ATOM 0 HD23 LEU A 50 2.155 7.092 -13.557 1.00 10.00 H new ATOM 810 N LYS A 51 5.012 3.838 -13.334 1.00 10.00 N ATOM 811 CA LYS A 51 5.367 2.862 -12.299 1.00 10.00 C ATOM 812 C LYS A 51 4.854 3.300 -10.930 1.00 10.00 C ATOM 813 O LYS A 51 4.816 4.487 -10.608 1.00 10.00 O ATOM 814 CB LYS A 51 6.885 2.649 -12.236 1.00 10.00 C ATOM 815 CG LYS A 51 7.439 1.897 -13.452 1.00 10.00 C ATOM 816 CD LYS A 51 8.899 1.449 -13.271 1.00 10.00 C ATOM 817 CE LYS A 51 9.074 0.353 -12.204 1.00 10.00 C ATOM 818 NZ LYS A 51 9.415 0.889 -10.863 1.00 10.00 N ATOM 0 H LYS A 51 5.358 4.779 -13.145 1.00 10.00 H new ATOM 0 HA LYS A 51 4.891 1.919 -12.568 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.379 3.618 -12.160 1.00 10.00 H new ATOM 0 HB3 LYS A 51 7.131 2.094 -11.331 1.00 10.00 H new ATOM 0 HG2 LYS A 51 6.818 1.022 -13.644 1.00 10.00 H new ATOM 0 HG3 LYS A 51 7.368 2.538 -14.331 1.00 10.00 H new ATOM 0 HD2 LYS A 51 9.280 1.082 -14.224 1.00 10.00 H new ATOM 0 HD3 LYS A 51 9.505 2.313 -12.997 1.00 10.00 H new ATOM 0 HE2 LYS A 51 8.153 -0.226 -12.133 1.00 10.00 H new ATOM 0 HE3 LYS A 51 9.858 -0.334 -12.523 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 9.419 0.114 -10.170 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 10.356 1.330 -10.895 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 8.709 1.599 -10.583 1.00 10.00 H new ATOM 832 N VAL A 52 4.501 2.300 -10.125 1.00 10.00 N ATOM 833 CA VAL A 52 4.191 2.411 -8.702 1.00 10.00 C ATOM 834 C VAL A 52 4.884 1.249 -7.995 1.00 10.00 C ATOM 835 O VAL A 52 4.817 0.106 -8.448 1.00 10.00 O ATOM 836 CB VAL A 52 2.669 2.469 -8.450 1.00 10.00 C ATOM 837 CG1 VAL A 52 1.898 1.266 -9.013 1.00 10.00 C ATOM 838 CG2 VAL A 52 2.347 2.614 -6.954 1.00 10.00 C ATOM 0 H VAL A 52 4.419 1.342 -10.465 1.00 10.00 H new ATOM 0 HA VAL A 52 4.566 3.349 -8.294 1.00 10.00 H new ATOM 0 HB VAL A 52 2.335 3.355 -8.990 1.00 10.00 H new ATOM 0 HG11 VAL A 52 0.836 1.380 -8.796 1.00 10.00 H new ATOM 0 HG12 VAL A 52 2.044 1.213 -10.092 1.00 10.00 H new ATOM 0 HG13 VAL A 52 2.266 0.350 -8.552 1.00 10.00 H new ATOM 0 HG21 VAL A 52 1.266 2.651 -6.816 1.00 10.00 H new ATOM 0 HG22 VAL A 52 2.753 1.761 -6.410 1.00 10.00 H new ATOM 0 HG23 VAL A 52 2.793 3.533 -6.573 1.00 10.00 H new ATOM 848 N ASP A 53 5.569 1.554 -6.898 1.00 10.00 N ATOM 849 CA ASP A 53 6.467 0.648 -6.195 1.00 10.00 C ATOM 850 C ASP A 53 6.236 0.844 -4.691 1.00 10.00 C ATOM 851 O ASP A 53 6.214 1.975 -4.201 1.00 10.00 O ATOM 852 CB ASP A 53 7.923 0.964 -6.584 1.00 10.00 C ATOM 853 CG ASP A 53 8.226 0.832 -8.085 1.00 10.00 C ATOM 854 OD1 ASP A 53 7.924 1.768 -8.866 1.00 10.00 O ATOM 855 OD2 ASP A 53 8.856 -0.172 -8.491 1.00 10.00 O ATOM 0 H ASP A 53 5.511 2.473 -6.459 1.00 10.00 H new ATOM 0 HA ASP A 53 6.273 -0.391 -6.462 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.158 1.980 -6.267 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.586 0.297 -6.033 1.00 10.00 H new ATOM 860 N ILE A 54 6.042 -0.251 -3.952 1.00 10.00 N ATOM 861 CA ILE A 54 5.585 -0.205 -2.561 1.00 10.00 C ATOM 862 C ILE A 54 6.551 -0.991 -1.677 1.00 10.00 C ATOM 863 O ILE A 54 6.869 -2.148 -1.967 1.00 10.00 O ATOM 864 CB ILE A 54 4.151 -0.771 -2.442 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.155 -0.136 -3.439 1.00 10.00 C ATOM 866 CG2 ILE A 54 3.631 -0.596 -1.009 1.00 10.00 C ATOM 867 CD1 ILE A 54 1.744 -0.735 -3.366 1.00 10.00 C ATOM 0 H ILE A 54 6.198 -1.196 -4.302 1.00 10.00 H new ATOM 0 HA ILE A 54 5.566 0.832 -2.227 1.00 10.00 H new ATOM 0 HB ILE A 54 4.217 -1.829 -2.694 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.096 0.935 -3.247 1.00 10.00 H new ATOM 0 HG13 ILE A 54 3.540 -0.258 -4.451 1.00 10.00 H new ATOM 0 HG21 ILE A 54 2.620 -0.998 -0.937 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.284 -1.129 -0.317 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.619 0.463 -0.753 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.101 -0.240 -4.094 1.00 10.00 H new ATOM 0 HD12 ILE A 54 1.789 -1.801 -3.587 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.338 -0.589 -2.365 1.00 10.00 H new ATOM 879 N SER A 55 6.955 -0.366 -0.567 1.00 10.00 N ATOM 880 CA SER A 55 7.803 -0.953 0.467 1.00 10.00 C ATOM 881 C SER A 55 7.177 -0.693 1.837 1.00 10.00 C ATOM 882 O SER A 55 6.895 0.457 2.175 1.00 10.00 O ATOM 883 CB SER A 55 9.200 -0.332 0.376 1.00 10.00 C ATOM 884 OG SER A 55 10.056 -0.890 1.351 1.00 10.00 O ATOM 0 H SER A 55 6.689 0.597 -0.359 1.00 10.00 H new ATOM 0 HA SER A 55 7.889 -2.030 0.325 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.614 -0.499 -0.618 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.134 0.747 0.516 1.00 10.00 H new ATOM 0 HG SER A 55 10.945 -0.483 1.278 1.00 10.00 H new ATOM 890 N ALA A 56 6.978 -1.752 2.626 1.00 10.00 N ATOM 891 CA ALA A 56 6.447 -1.667 3.983 1.00 10.00 C ATOM 892 C ALA A 56 7.307 -2.470 4.965 1.00 10.00 C ATOM 893 O ALA A 56 7.869 -3.504 4.604 1.00 10.00 O ATOM 894 CB ALA A 56 4.990 -2.146 4.003 1.00 10.00 C ATOM 0 H ALA A 56 7.186 -2.706 2.332 1.00 10.00 H new ATOM 0 HA ALA A 56 6.476 -0.626 4.304 1.00 10.00 H new ATOM 0 HB1 ALA A 56 4.599 -2.080 5.018 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.392 -1.518 3.343 1.00 10.00 H new ATOM 0 HB3 ALA A 56 4.942 -3.180 3.662 1.00 10.00 H new ATOM 900 N GLU A 57 7.348 -2.010 6.215 1.00 10.00 N ATOM 901 CA GLU A 57 8.027 -2.654 7.337 1.00 10.00 C ATOM 902 C GLU A 57 7.166 -2.556 8.604 1.00 10.00 C ATOM 903 O GLU A 57 6.447 -1.573 8.813 1.00 10.00 O ATOM 904 CB GLU A 57 9.420 -2.025 7.566 1.00 10.00 C ATOM 905 CG GLU A 57 10.570 -3.032 7.402 1.00 10.00 C ATOM 906 CD GLU A 57 10.620 -4.086 8.519 1.00 10.00 C ATOM 907 OE1 GLU A 57 9.603 -4.802 8.685 1.00 10.00 O ATOM 908 OE2 GLU A 57 11.674 -4.175 9.188 1.00 10.00 O ATOM 0 H GLU A 57 6.888 -1.140 6.484 1.00 10.00 H new ATOM 0 HA GLU A 57 8.171 -3.708 7.099 1.00 10.00 H new ATOM 0 HB2 GLU A 57 9.561 -1.204 6.864 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.459 -1.598 8.568 1.00 10.00 H new ATOM 0 HG2 GLU A 57 10.468 -3.536 6.441 1.00 10.00 H new ATOM 0 HG3 GLU A 57 11.516 -2.492 7.380 1.00 10.00 H new ATOM 915 N LEU A 58 7.261 -3.592 9.441 1.00 10.00 N ATOM 916 CA LEU A 58 6.444 -3.806 10.632 1.00 10.00 C ATOM 917 C LEU A 58 7.358 -4.061 11.829 1.00 10.00 C ATOM 918 O LEU A 58 7.877 -5.165 12.003 1.00 10.00 O ATOM 919 CB LEU A 58 5.498 -4.993 10.372 1.00 10.00 C ATOM 920 CG LEU A 58 4.537 -5.319 11.533 1.00 10.00 C ATOM 921 CD1 LEU A 58 3.459 -4.245 11.679 1.00 10.00 C ATOM 922 CD2 LEU A 58 3.851 -6.661 11.278 1.00 10.00 C ATOM 0 H LEU A 58 7.942 -4.338 9.298 1.00 10.00 H new ATOM 0 HA LEU A 58 5.840 -2.927 10.855 1.00 10.00 H new ATOM 0 HB2 LEU A 58 4.909 -4.782 9.480 1.00 10.00 H new ATOM 0 HB3 LEU A 58 6.098 -5.877 10.156 1.00 10.00 H new ATOM 0 HG LEU A 58 5.127 -5.359 12.449 1.00 10.00 H new ATOM 0 HD11 LEU A 58 2.797 -4.504 12.506 1.00 10.00 H new ATOM 0 HD12 LEU A 58 3.929 -3.282 11.878 1.00 10.00 H new ATOM 0 HD13 LEU A 58 2.881 -4.182 10.757 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.173 -6.886 12.102 1.00 10.00 H new ATOM 0 HD22 LEU A 58 3.286 -6.610 10.347 1.00 10.00 H new ATOM 0 HD23 LEU A 58 4.604 -7.446 11.203 1.00 10.00 H new ATOM 934 N TYR A 59 7.510 -3.060 12.694 1.00 10.00 N ATOM 935 CA TYR A 59 8.373 -3.179 13.857 1.00 10.00 C ATOM 936 C TYR A 59 7.533 -3.685 15.027 1.00 10.00 C ATOM 937 O TYR A 59 6.747 -2.940 15.613 1.00 10.00 O ATOM 938 CB TYR A 59 9.076 -1.846 14.139 1.00 10.00 C ATOM 939 CG TYR A 59 9.794 -1.272 12.929 1.00 10.00 C ATOM 940 CD1 TYR A 59 10.882 -1.957 12.347 1.00 10.00 C ATOM 941 CD2 TYR A 59 9.346 -0.068 12.355 1.00 10.00 C ATOM 942 CE1 TYR A 59 11.531 -1.423 11.216 1.00 10.00 C ATOM 943 CE2 TYR A 59 10.005 0.480 11.247 1.00 10.00 C ATOM 944 CZ TYR A 59 11.109 -0.190 10.674 1.00 10.00 C ATOM 945 OH TYR A 59 11.765 0.349 9.611 1.00 10.00 O ATOM 0 H TYR A 59 7.043 -2.157 12.607 1.00 10.00 H new ATOM 0 HA TYR A 59 9.171 -3.901 13.682 1.00 10.00 H new ATOM 0 HB2 TYR A 59 8.340 -1.123 14.491 1.00 10.00 H new ATOM 0 HB3 TYR A 59 9.796 -1.987 14.945 1.00 10.00 H new ATOM 0 HD1 TYR A 59 11.218 -2.893 12.769 1.00 10.00 H new ATOM 0 HD2 TYR A 59 8.487 0.438 12.772 1.00 10.00 H new ATOM 0 HE1 TYR A 59 12.353 -1.958 10.763 1.00 10.00 H new ATOM 0 HE2 TYR A 59 9.668 1.417 10.830 1.00 10.00 H new ATOM 0 HH TYR A 59 11.709 1.326 9.653 1.00 10.00 H new ATOM 955 N LEU A 60 7.713 -4.968 15.349 1.00 10.00 N ATOM 956 CA LEU A 60 7.097 -5.640 16.492 1.00 10.00 C ATOM 957 C LEU A 60 7.897 -5.351 17.763 1.00 10.00 C ATOM 958 O LEU A 60 9.108 -5.129 17.721 1.00 10.00 O ATOM 959 CB LEU A 60 7.111 -7.165 16.247 1.00 10.00 C ATOM 960 CG LEU A 60 5.986 -7.657 15.320 1.00 10.00 C ATOM 961 CD1 LEU A 60 6.373 -8.974 14.643 1.00 10.00 C ATOM 962 CD2 LEU A 60 4.712 -7.898 16.135 1.00 10.00 C ATOM 0 H LEU A 60 8.312 -5.587 14.802 1.00 10.00 H new ATOM 0 HA LEU A 60 6.076 -5.277 16.609 1.00 10.00 H new ATOM 0 HB2 LEU A 60 8.072 -7.445 15.816 1.00 10.00 H new ATOM 0 HB3 LEU A 60 7.029 -7.678 17.205 1.00 10.00 H new ATOM 0 HG LEU A 60 5.819 -6.892 14.561 1.00 10.00 H new ATOM 0 HD11 LEU A 60 5.562 -9.301 13.993 1.00 10.00 H new ATOM 0 HD12 LEU A 60 7.276 -8.827 14.050 1.00 10.00 H new ATOM 0 HD13 LEU A 60 6.558 -9.733 15.403 1.00 10.00 H new ATOM 0 HD21 LEU A 60 3.918 -8.246 15.474 1.00 10.00 H new ATOM 0 HD22 LEU A 60 4.906 -8.652 16.898 1.00 10.00 H new ATOM 0 HD23 LEU A 60 4.404 -6.968 16.613 1.00 10.00 H new ATOM 974 N ASP A 61 7.203 -5.373 18.900 1.00 10.00 N ATOM 975 CA ASP A 61 7.852 -5.354 20.210 1.00 10.00 C ATOM 976 C ASP A 61 8.731 -6.604 20.401 1.00 10.00 C ATOM 977 O ASP A 61 8.369 -7.697 19.963 1.00 10.00 O ATOM 978 CB ASP A 61 6.773 -5.240 21.296 1.00 10.00 C ATOM 979 CG ASP A 61 7.360 -5.186 22.708 1.00 10.00 C ATOM 980 OD1 ASP A 61 8.481 -4.646 22.852 1.00 10.00 O ATOM 981 OD2 ASP A 61 6.686 -5.717 23.617 1.00 10.00 O ATOM 0 H ASP A 61 6.184 -5.404 18.940 1.00 10.00 H new ATOM 0 HA ASP A 61 8.514 -4.491 20.284 1.00 10.00 H new ATOM 0 HB2 ASP A 61 6.179 -4.343 21.119 1.00 10.00 H new ATOM 0 HB3 ASP A 61 6.096 -6.091 21.221 1.00 10.00 H new ATOM 986 N GLU A 62 9.846 -6.474 21.133 1.00 10.00 N ATOM 987 CA GLU A 62 10.812 -7.551 21.448 1.00 10.00 C ATOM 988 C GLU A 62 10.249 -8.602 22.440 1.00 10.00 C ATOM 989 O GLU A 62 10.979 -9.257 23.183 1.00 10.00 O ATOM 990 CB GLU A 62 12.135 -6.937 21.950 1.00 10.00 C ATOM 991 CG GLU A 62 12.824 -6.061 20.891 1.00 10.00 C ATOM 992 CD GLU A 62 14.223 -5.633 21.353 1.00 10.00 C ATOM 993 OE1 GLU A 62 14.318 -4.575 22.015 1.00 10.00 O ATOM 994 OE2 GLU A 62 15.186 -6.371 21.043 1.00 10.00 O ATOM 0 H GLU A 62 10.117 -5.580 21.542 1.00 10.00 H new ATOM 0 HA GLU A 62 11.005 -8.100 20.526 1.00 10.00 H new ATOM 0 HB2 GLU A 62 11.938 -6.338 22.839 1.00 10.00 H new ATOM 0 HB3 GLU A 62 12.812 -7.738 22.249 1.00 10.00 H new ATOM 0 HG2 GLU A 62 12.900 -6.611 19.953 1.00 10.00 H new ATOM 0 HG3 GLU A 62 12.217 -5.178 20.694 1.00 10.00 H new ATOM 1001 N LEU A 63 8.922 -8.724 22.458 1.00 10.00 N ATOM 1002 CA LEU A 63 8.080 -9.483 23.375 1.00 10.00 C ATOM 1003 C LEU A 63 6.751 -9.915 22.710 1.00 10.00 C ATOM 1004 O LEU A 63 5.865 -10.425 23.395 1.00 10.00 O ATOM 1005 CB LEU A 63 7.831 -8.590 24.611 1.00 10.00 C ATOM 1006 CG LEU A 63 8.434 -9.149 25.910 1.00 10.00 C ATOM 1007 CD1 LEU A 63 8.368 -8.088 27.013 1.00 10.00 C ATOM 1008 CD2 LEU A 63 7.692 -10.400 26.391 1.00 10.00 C ATOM 0 H LEU A 63 8.355 -8.244 21.759 1.00 10.00 H new ATOM 0 HA LEU A 63 8.579 -10.407 23.667 1.00 10.00 H new ATOM 0 HB2 LEU A 63 8.249 -7.601 24.423 1.00 10.00 H new ATOM 0 HB3 LEU A 63 6.757 -8.462 24.745 1.00 10.00 H new ATOM 0 HG LEU A 63 9.469 -9.419 25.697 1.00 10.00 H new ATOM 0 HD11 LEU A 63 8.797 -8.490 27.931 1.00 10.00 H new ATOM 0 HD12 LEU A 63 8.931 -7.207 26.705 1.00 10.00 H new ATOM 0 HD13 LEU A 63 7.329 -7.811 27.189 1.00 10.00 H new ATOM 0 HD21 LEU A 63 8.150 -10.763 27.311 1.00 10.00 H new ATOM 0 HD22 LEU A 63 6.647 -10.154 26.578 1.00 10.00 H new ATOM 0 HD23 LEU A 63 7.751 -11.175 25.626 1.00 10.00 H new ATOM 1020 N SER A 64 6.599 -9.699 21.393 1.00 10.00 N ATOM 1021 CA SER A 64 5.398 -10.017 20.604 1.00 10.00 C ATOM 1022 C SER A 64 5.760 -10.759 19.310 1.00 10.00 C ATOM 1023 O SER A 64 6.810 -10.510 18.720 1.00 10.00 O ATOM 1024 CB SER A 64 4.647 -8.729 20.253 1.00 10.00 C ATOM 1025 OG SER A 64 4.147 -8.102 21.418 1.00 10.00 O ATOM 0 H SER A 64 7.338 -9.282 20.827 1.00 10.00 H new ATOM 0 HA SER A 64 4.764 -10.665 21.209 1.00 10.00 H new ATOM 0 HB2 SER A 64 5.314 -8.047 19.726 1.00 10.00 H new ATOM 0 HB3 SER A 64 3.824 -8.957 19.576 1.00 10.00 H new ATOM 0 HG SER A 64 3.171 -8.033 21.359 1.00 10.00 H new ATOM 1031 N ASP A 65 4.861 -11.629 18.830 1.00 10.00 N ATOM 1032 CA ASP A 65 5.125 -12.579 17.749 1.00 10.00 C ATOM 1033 C ASP A 65 3.874 -12.752 16.871 1.00 10.00 C ATOM 1034 O ASP A 65 2.992 -13.563 17.151 1.00 10.00 O ATOM 1035 CB ASP A 65 5.551 -13.938 18.341 1.00 10.00 C ATOM 1036 CG ASP A 65 6.917 -13.904 19.031 1.00 10.00 C ATOM 1037 OD1 ASP A 65 7.924 -14.075 18.307 1.00 10.00 O ATOM 1038 OD2 ASP A 65 6.933 -13.758 20.274 1.00 10.00 O ATOM 0 H ASP A 65 3.910 -11.690 19.193 1.00 10.00 H new ATOM 0 HA ASP A 65 5.933 -12.191 17.128 1.00 10.00 H new ATOM 0 HB2 ASP A 65 4.799 -14.264 19.059 1.00 10.00 H new ATOM 0 HB3 ASP A 65 5.574 -14.681 17.544 1.00 10.00 H new ATOM 1043 N ALA A 66 3.825 -11.977 15.787 1.00 10.00 N ATOM 1044 CA ALA A 66 2.861 -12.124 14.694 1.00 10.00 C ATOM 1045 C ALA A 66 3.330 -13.175 13.657 1.00 10.00 C ATOM 1046 O ALA A 66 4.340 -13.853 13.856 1.00 10.00 O ATOM 1047 CB ALA A 66 2.636 -10.740 14.069 1.00 10.00 C ATOM 0 H ALA A 66 4.475 -11.205 15.640 1.00 10.00 H new ATOM 0 HA ALA A 66 1.913 -12.501 15.079 1.00 10.00 H new ATOM 0 HB1 ALA A 66 1.921 -10.822 13.251 1.00 10.00 H new ATOM 0 HB2 ALA A 66 2.246 -10.058 14.825 1.00 10.00 H new ATOM 0 HB3 ALA A 66 3.582 -10.355 13.687 1.00 10.00 H new ATOM 1053 N ASP A 67 2.641 -13.297 12.514 1.00 10.00 N ATOM 1054 CA ASP A 67 2.873 -14.407 11.583 1.00 10.00 C ATOM 1055 C ASP A 67 4.036 -14.112 10.606 1.00 10.00 C ATOM 1056 O ASP A 67 4.166 -12.978 10.128 1.00 10.00 O ATOM 1057 CB ASP A 67 1.601 -14.653 10.756 1.00 10.00 C ATOM 1058 CG ASP A 67 0.380 -14.918 11.634 1.00 10.00 C ATOM 1059 OD1 ASP A 67 -0.240 -13.912 12.047 1.00 10.00 O ATOM 1060 OD2 ASP A 67 0.096 -16.110 11.879 1.00 10.00 O ATOM 0 H ASP A 67 1.920 -12.641 12.213 1.00 10.00 H new ATOM 0 HA ASP A 67 3.133 -15.282 12.178 1.00 10.00 H new ATOM 0 HB2 ASP A 67 1.409 -13.787 10.123 1.00 10.00 H new ATOM 0 HB3 ASP A 67 1.760 -15.503 10.093 1.00 10.00 H new ATOM 1065 N PRO A 68 4.867 -15.125 10.264 1.00 10.00 N ATOM 1066 CA PRO A 68 6.099 -14.997 9.467 1.00 10.00 C ATOM 1067 C PRO A 68 5.826 -14.765 7.965 1.00 10.00 C ATOM 1068 O PRO A 68 6.235 -15.536 7.099 1.00 10.00 O ATOM 1069 CB PRO A 68 6.897 -16.275 9.765 1.00 10.00 C ATOM 1070 CG PRO A 68 5.801 -17.313 9.982 1.00 10.00 C ATOM 1071 CD PRO A 68 4.734 -16.506 10.719 1.00 10.00 C ATOM 0 HA PRO A 68 6.669 -14.109 9.741 1.00 10.00 H new ATOM 0 HB2 PRO A 68 7.552 -16.545 8.937 1.00 10.00 H new ATOM 0 HB3 PRO A 68 7.528 -16.162 10.647 1.00 10.00 H new ATOM 0 HG2 PRO A 68 5.429 -17.715 9.040 1.00 10.00 H new ATOM 0 HG3 PRO A 68 6.152 -18.159 10.573 1.00 10.00 H new ATOM 0 HD2 PRO A 68 3.738 -16.891 10.502 1.00 10.00 H new ATOM 0 HD3 PRO A 68 4.873 -16.574 11.798 1.00 10.00 H new ATOM 1079 N GLY A 69 5.091 -13.692 7.677 1.00 10.00 N ATOM 1080 CA GLY A 69 4.628 -13.285 6.348 1.00 10.00 C ATOM 1081 C GLY A 69 3.623 -12.124 6.356 1.00 10.00 C ATOM 1082 O GLY A 69 3.362 -11.550 5.301 1.00 10.00 O ATOM 0 H GLY A 69 4.785 -13.046 8.405 1.00 10.00 H new ATOM 0 HA2 GLY A 69 5.491 -12.998 5.748 1.00 10.00 H new ATOM 0 HA3 GLY A 69 4.169 -14.144 5.857 1.00 10.00 H new ATOM 1086 N ILE A 70 3.092 -11.739 7.529 1.00 10.00 N ATOM 1087 CA ILE A 70 2.003 -10.768 7.696 1.00 10.00 C ATOM 1088 C ILE A 70 2.248 -9.409 7.012 1.00 10.00 C ATOM 1089 O ILE A 70 1.296 -8.767 6.573 1.00 10.00 O ATOM 1090 CB ILE A 70 1.710 -10.641 9.215 1.00 10.00 C ATOM 1091 CG1 ILE A 70 0.201 -10.556 9.492 1.00 10.00 C ATOM 1092 CG2 ILE A 70 2.478 -9.503 9.911 1.00 10.00 C ATOM 1093 CD1 ILE A 70 -0.102 -10.714 10.987 1.00 10.00 C ATOM 0 H ILE A 70 3.424 -12.111 8.419 1.00 10.00 H new ATOM 0 HA ILE A 70 1.122 -11.142 7.175 1.00 10.00 H new ATOM 0 HB ILE A 70 2.090 -11.560 9.661 1.00 10.00 H new ATOM 0 HG12 ILE A 70 -0.182 -9.598 9.141 1.00 10.00 H new ATOM 0 HG13 ILE A 70 -0.318 -11.332 8.930 1.00 10.00 H new ATOM 0 HG21 ILE A 70 2.217 -9.482 10.969 1.00 10.00 H new ATOM 0 HG22 ILE A 70 3.550 -9.669 9.805 1.00 10.00 H new ATOM 0 HG23 ILE A 70 2.211 -8.551 9.453 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -1.178 -10.649 11.149 1.00 10.00 H new ATOM 0 HD12 ILE A 70 0.259 -11.683 11.331 1.00 10.00 H new ATOM 0 HD13 ILE A 70 0.397 -9.922 11.545 1.00 10.00 H new ATOM 1105 N VAL A 71 3.516 -8.987 6.905 1.00 10.00 N ATOM 1106 CA VAL A 71 3.933 -7.746 6.234 1.00 10.00 C ATOM 1107 C VAL A 71 3.863 -7.910 4.720 1.00 10.00 C ATOM 1108 O VAL A 71 3.200 -7.132 4.044 1.00 10.00 O ATOM 1109 CB VAL A 71 5.382 -7.338 6.595 1.00 10.00 C ATOM 1110 CG1 VAL A 71 5.555 -5.825 6.433 1.00 10.00 C ATOM 1111 CG2 VAL A 71 5.815 -7.778 7.995 1.00 10.00 C ATOM 0 H VAL A 71 4.300 -9.512 7.292 1.00 10.00 H new ATOM 0 HA VAL A 71 3.248 -6.970 6.577 1.00 10.00 H new ATOM 0 HB VAL A 71 6.034 -7.866 5.899 1.00 10.00 H new ATOM 0 HG11 VAL A 71 6.577 -5.546 6.689 1.00 10.00 H new ATOM 0 HG12 VAL A 71 5.350 -5.544 5.400 1.00 10.00 H new ATOM 0 HG13 VAL A 71 4.861 -5.307 7.095 1.00 10.00 H new ATOM 0 HG21 VAL A 71 6.841 -7.457 8.176 1.00 10.00 H new ATOM 0 HG22 VAL A 71 5.157 -7.327 8.738 1.00 10.00 H new ATOM 0 HG23 VAL A 71 5.756 -8.864 8.070 1.00 10.00 H new ATOM 1121 N ASP A 72 4.526 -8.947 4.199 1.00 10.00 N ATOM 1122 CA ASP A 72 4.572 -9.271 2.770 1.00 10.00 C ATOM 1123 C ASP A 72 3.164 -9.498 2.203 1.00 10.00 C ATOM 1124 O ASP A 72 2.823 -8.955 1.152 1.00 10.00 O ATOM 1125 CB ASP A 72 5.471 -10.499 2.568 1.00 10.00 C ATOM 1126 CG ASP A 72 5.724 -10.783 1.086 1.00 10.00 C ATOM 1127 OD1 ASP A 72 6.351 -9.912 0.443 1.00 10.00 O ATOM 1128 OD2 ASP A 72 5.306 -11.868 0.628 1.00 10.00 O ATOM 0 H ASP A 72 5.059 -9.600 4.773 1.00 10.00 H new ATOM 0 HA ASP A 72 4.993 -8.429 2.221 1.00 10.00 H new ATOM 0 HB2 ASP A 72 6.423 -10.339 3.075 1.00 10.00 H new ATOM 0 HB3 ASP A 72 5.006 -11.370 3.030 1.00 10.00 H new ATOM 1133 N GLU A 73 2.306 -10.189 2.966 1.00 10.00 N ATOM 1134 CA GLU A 73 0.891 -10.336 2.629 1.00 10.00 C ATOM 1135 C GLU A 73 0.146 -8.992 2.639 1.00 10.00 C ATOM 1136 O GLU A 73 -0.766 -8.820 1.834 1.00 10.00 O ATOM 1137 CB GLU A 73 0.197 -11.290 3.608 1.00 10.00 C ATOM 1138 CG GLU A 73 0.614 -12.760 3.486 1.00 10.00 C ATOM 1139 CD GLU A 73 -0.229 -13.585 4.461 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -1.380 -13.934 4.110 1.00 10.00 O ATOM 1141 OE2 GLU A 73 0.169 -13.733 5.638 1.00 10.00 O ATOM 0 H GLU A 73 2.576 -10.659 3.830 1.00 10.00 H new ATOM 0 HA GLU A 73 0.856 -10.743 1.619 1.00 10.00 H new ATOM 0 HB2 GLU A 73 0.400 -10.954 4.625 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -0.880 -11.220 3.458 1.00 10.00 H new ATOM 0 HG2 GLU A 73 0.466 -13.112 2.465 1.00 10.00 H new ATOM 0 HG3 GLU A 73 1.674 -12.873 3.712 1.00 10.00 H new ATOM 1148 N ALA A 74 0.529 -8.021 3.484 1.00 10.00 N ATOM 1149 CA ALA A 74 -0.069 -6.685 3.443 1.00 10.00 C ATOM 1150 C ALA A 74 0.306 -5.948 2.152 1.00 10.00 C ATOM 1151 O ALA A 74 -0.541 -5.281 1.551 1.00 10.00 O ATOM 1152 CB ALA A 74 0.362 -5.860 4.664 1.00 10.00 C ATOM 0 H ALA A 74 1.247 -8.139 4.199 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.152 -6.808 3.465 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.093 -4.871 4.614 1.00 10.00 H new ATOM 0 HB2 ALA A 74 0.038 -6.363 5.575 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.447 -5.760 4.671 1.00 10.00 H new ATOM 1158 N VAL A 75 1.564 -6.077 1.708 1.00 10.00 N ATOM 1159 CA VAL A 75 2.020 -5.417 0.483 1.00 10.00 C ATOM 1160 C VAL A 75 1.443 -6.108 -0.755 1.00 10.00 C ATOM 1161 O VAL A 75 0.919 -5.412 -1.621 1.00 10.00 O ATOM 1162 CB VAL A 75 3.553 -5.277 0.394 1.00 10.00 C ATOM 1163 CG1 VAL A 75 3.874 -4.058 -0.476 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.224 -5.019 1.749 1.00 10.00 C ATOM 0 H VAL A 75 2.279 -6.631 2.179 1.00 10.00 H new ATOM 0 HA VAL A 75 1.636 -4.398 0.521 1.00 10.00 H new ATOM 0 HB VAL A 75 3.927 -6.218 -0.008 1.00 10.00 H new ATOM 0 HG11 VAL A 75 4.955 -3.940 -0.552 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.453 -4.200 -1.471 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.443 -3.165 -0.024 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.302 -4.931 1.611 1.00 10.00 H new ATOM 0 HG22 VAL A 75 3.837 -4.094 2.177 1.00 10.00 H new ATOM 0 HG23 VAL A 75 4.011 -5.848 2.424 1.00 10.00 H new ATOM 1174 N ASP A 76 1.419 -7.450 -0.817 1.00 10.00 N ATOM 1175 CA ASP A 76 0.681 -8.174 -1.861 1.00 10.00 C ATOM 1176 C ASP A 76 -0.804 -7.809 -1.824 1.00 10.00 C ATOM 1177 O ASP A 76 -1.362 -7.557 -2.881 1.00 10.00 O ATOM 1178 CB ASP A 76 0.864 -9.696 -1.761 1.00 10.00 C ATOM 1179 CG ASP A 76 0.001 -10.440 -2.798 1.00 10.00 C ATOM 1180 OD1 ASP A 76 0.263 -10.304 -4.018 1.00 10.00 O ATOM 1181 OD2 ASP A 76 -0.954 -11.122 -2.372 1.00 10.00 O ATOM 0 H ASP A 76 1.904 -8.055 -0.154 1.00 10.00 H new ATOM 0 HA ASP A 76 1.099 -7.864 -2.818 1.00 10.00 H new ATOM 0 HB2 ASP A 76 1.914 -9.948 -1.913 1.00 10.00 H new ATOM 0 HB3 ASP A 76 0.598 -10.030 -0.758 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.430 -7.640 -0.655 1.00 10.00 N ATOM 1187 CA ALA A 77 -2.825 -7.204 -0.601 1.00 10.00 C ATOM 1188 C ALA A 77 -2.993 -5.803 -1.205 1.00 10.00 C ATOM 1189 O ALA A 77 -3.911 -5.602 -1.998 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.346 -7.270 0.836 1.00 10.00 C ATOM 0 H ALA A 77 -0.997 -7.797 0.255 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.424 -7.884 -1.206 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.385 -6.943 0.862 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.279 -8.295 1.201 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.745 -6.619 1.471 1.00 10.00 H new ATOM 1196 N ALA A 78 -2.072 -4.866 -0.937 1.00 10.00 N ATOM 1197 CA ALA A 78 -2.046 -3.585 -1.638 1.00 10.00 C ATOM 1198 C ALA A 78 -1.839 -3.740 -3.153 1.00 10.00 C ATOM 1199 O ALA A 78 -2.592 -3.135 -3.916 1.00 10.00 O ATOM 1200 CB ALA A 78 -0.988 -2.677 -0.998 1.00 10.00 C ATOM 0 H ALA A 78 -1.337 -4.976 -0.238 1.00 10.00 H new ATOM 0 HA ALA A 78 -3.024 -3.117 -1.531 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.966 -1.720 -1.519 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.235 -2.513 0.051 1.00 10.00 H new ATOM 0 HB3 ALA A 78 -0.009 -3.152 -1.070 1.00 10.00 H new ATOM 1206 N TYR A 79 -0.901 -4.583 -3.606 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.675 -4.832 -5.035 1.00 10.00 C ATOM 1208 C TYR A 79 -1.896 -5.481 -5.716 1.00 10.00 C ATOM 1209 O TYR A 79 -2.291 -5.031 -6.790 1.00 10.00 O ATOM 1210 CB TYR A 79 0.576 -5.711 -5.228 1.00 10.00 C ATOM 1211 CG TYR A 79 1.916 -5.035 -4.976 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.315 -3.969 -5.810 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.791 -5.499 -3.967 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.567 -3.352 -5.631 1.00 10.00 C ATOM 1215 CE2 TYR A 79 4.053 -4.889 -3.796 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.439 -3.804 -4.618 1.00 10.00 C ATOM 1217 OH TYR A 79 5.632 -3.169 -4.434 1.00 10.00 O ATOM 0 H TYR A 79 -0.279 -5.110 -2.993 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.517 -3.865 -5.513 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.496 -6.572 -4.564 1.00 10.00 H new ATOM 0 HB3 TYR A 79 0.572 -6.094 -6.248 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.654 -3.624 -6.592 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.495 -6.318 -3.328 1.00 10.00 H new ATOM 0 HE1 TYR A 79 3.861 -2.532 -6.269 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.727 -5.252 -3.034 1.00 10.00 H new ATOM 0 HH TYR A 79 5.799 -3.058 -3.475 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.538 -6.471 -5.079 1.00 10.00 N ATOM 1228 CA ARG A 80 -3.746 -7.167 -5.553 1.00 10.00 C ATOM 1229 C ARG A 80 -4.961 -6.236 -5.568 1.00 10.00 C ATOM 1230 O ARG A 80 -5.704 -6.208 -6.551 1.00 10.00 O ATOM 1231 CB ARG A 80 -4.040 -8.376 -4.645 1.00 10.00 C ATOM 1232 CG ARG A 80 -2.974 -9.489 -4.625 1.00 10.00 C ATOM 1233 CD ARG A 80 -3.076 -10.522 -5.749 1.00 10.00 C ATOM 1234 NE ARG A 80 -2.492 -10.056 -7.016 1.00 10.00 N ATOM 1235 CZ ARG A 80 -1.232 -10.207 -7.407 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -0.253 -10.581 -6.609 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -0.912 -9.979 -8.658 1.00 10.00 N ATOM 0 H ARG A 80 -2.216 -6.825 -4.178 1.00 10.00 H new ATOM 0 HA ARG A 80 -3.560 -7.502 -6.573 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -4.176 -8.014 -3.626 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -4.988 -8.815 -4.956 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -1.989 -9.025 -4.671 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -3.037 -10.010 -3.670 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -2.573 -11.438 -5.439 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -4.124 -10.773 -5.910 1.00 10.00 H new ATOM 0 HE ARG A 80 -3.117 -9.568 -7.658 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -0.442 -10.774 -5.625 1.00 10.00 H new ATOM 0 HH12 ARG A 80 0.694 -10.678 -6.975 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -1.629 -9.688 -9.323 1.00 10.00 H new ATOM 0 HH22 ARG A 80 0.054 -10.093 -8.966 1.00 10.00 H new ATOM 1251 N SER A 81 -5.147 -5.423 -4.518 1.00 10.00 N ATOM 1252 CA SER A 81 -6.210 -4.420 -4.504 1.00 10.00 C ATOM 1253 C SER A 81 -5.977 -3.395 -5.610 1.00 10.00 C ATOM 1254 O SER A 81 -6.914 -3.122 -6.360 1.00 10.00 O ATOM 1255 CB SER A 81 -6.320 -3.723 -3.143 1.00 10.00 C ATOM 1256 OG SER A 81 -6.871 -4.603 -2.183 1.00 10.00 O ATOM 0 H SER A 81 -4.576 -5.444 -3.673 1.00 10.00 H new ATOM 0 HA SER A 81 -7.154 -4.934 -4.683 1.00 10.00 H new ATOM 0 HB2 SER A 81 -5.335 -3.389 -2.817 1.00 10.00 H new ATOM 0 HB3 SER A 81 -6.944 -2.834 -3.232 1.00 10.00 H new ATOM 0 HG SER A 81 -6.165 -5.180 -1.825 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.745 -2.892 -5.772 1.00 10.00 N ATOM 1263 CA LEU A 82 -4.414 -1.933 -6.827 1.00 10.00 C ATOM 1264 C LEU A 82 -4.596 -2.522 -8.223 1.00 10.00 C ATOM 1265 O LEU A 82 -5.159 -1.849 -9.077 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.969 -1.443 -6.647 1.00 10.00 C ATOM 1267 CG LEU A 82 -2.646 -0.134 -7.387 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -3.544 1.035 -6.950 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -1.185 0.230 -7.116 1.00 10.00 C ATOM 0 H LEU A 82 -3.955 -3.139 -5.176 1.00 10.00 H new ATOM 0 HA LEU A 82 -5.105 -1.095 -6.738 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.776 -1.302 -5.584 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -2.289 -2.220 -6.995 1.00 10.00 H new ATOM 0 HG LEU A 82 -2.827 -0.300 -8.449 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -3.270 1.932 -7.506 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -4.586 0.788 -7.151 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -3.413 1.215 -5.883 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -0.939 1.157 -7.634 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -1.036 0.362 -6.044 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -0.538 -0.570 -7.476 1.00 10.00 H new ATOM 1281 N GLU A 83 -4.194 -3.778 -8.443 1.00 10.00 N ATOM 1282 CA GLU A 83 -4.430 -4.503 -9.694 1.00 10.00 C ATOM 1283 C GLU A 83 -5.934 -4.610 -9.989 1.00 10.00 C ATOM 1284 O GLU A 83 -6.365 -4.234 -11.080 1.00 10.00 O ATOM 1285 CB GLU A 83 -3.774 -5.884 -9.490 1.00 10.00 C ATOM 1286 CG GLU A 83 -4.119 -7.023 -10.459 1.00 10.00 C ATOM 1287 CD GLU A 83 -3.492 -8.324 -9.934 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -3.983 -8.871 -8.920 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -2.445 -8.759 -10.464 1.00 10.00 O ATOM 0 H GLU A 83 -3.689 -4.326 -7.747 1.00 10.00 H new ATOM 0 HA GLU A 83 -4.003 -3.992 -10.557 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -2.694 -5.743 -9.520 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -4.023 -6.221 -8.484 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -5.200 -7.132 -10.544 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -3.742 -6.798 -11.457 1.00 10.00 H new ATOM 1296 N SER A 84 -6.759 -4.884 -8.969 1.00 10.00 N ATOM 1297 CA SER A 84 -8.217 -4.925 -9.121 1.00 10.00 C ATOM 1298 C SER A 84 -8.839 -3.544 -9.378 1.00 10.00 C ATOM 1299 O SER A 84 -9.856 -3.434 -10.061 1.00 10.00 O ATOM 1300 CB SER A 84 -8.852 -5.585 -7.886 1.00 10.00 C ATOM 1301 OG SER A 84 -8.916 -4.724 -6.762 1.00 10.00 O ATOM 0 H SER A 84 -6.436 -5.082 -8.022 1.00 10.00 H new ATOM 0 HA SER A 84 -8.429 -5.522 -10.008 1.00 10.00 H new ATOM 0 HB2 SER A 84 -9.859 -5.918 -8.138 1.00 10.00 H new ATOM 0 HB3 SER A 84 -8.279 -6.474 -7.622 1.00 10.00 H new ATOM 0 HG SER A 84 -8.026 -4.355 -6.582 1.00 10.00 H new ATOM 1307 N PHE A 85 -8.236 -2.488 -8.824 1.00 10.00 N ATOM 1308 CA PHE A 85 -8.707 -1.114 -8.942 1.00 10.00 C ATOM 1309 C PHE A 85 -8.295 -0.466 -10.270 1.00 10.00 C ATOM 1310 O PHE A 85 -9.122 0.173 -10.917 1.00 10.00 O ATOM 1311 CB PHE A 85 -8.161 -0.339 -7.740 1.00 10.00 C ATOM 1312 CG PHE A 85 -8.715 1.058 -7.567 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -9.962 1.247 -6.947 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -7.957 2.170 -7.970 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -10.421 2.548 -6.673 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -8.410 3.472 -7.693 1.00 10.00 C ATOM 1317 CZ PHE A 85 -9.636 3.661 -7.029 1.00 10.00 C ATOM 0 H PHE A 85 -7.385 -2.572 -8.268 1.00 10.00 H new ATOM 0 HA PHE A 85 -9.797 -1.098 -8.943 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -8.370 -0.910 -6.835 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -7.077 -0.274 -7.833 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -10.568 0.393 -6.681 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -7.024 2.024 -8.494 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -11.376 2.693 -6.189 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -7.818 4.325 -7.989 1.00 10.00 H new ATOM 0 HZ PHE A 85 -9.974 4.659 -6.793 1.00 10.00 H new ATOM 1327 N LEU A 86 -7.052 -0.677 -10.722 1.00 10.00 N ATOM 1328 CA LEU A 86 -6.566 -0.205 -12.023 1.00 10.00 C ATOM 1329 C LEU A 86 -7.222 -0.966 -13.178 1.00 10.00 C ATOM 1330 O LEU A 86 -7.406 -0.378 -14.243 1.00 10.00 O ATOM 1331 CB LEU A 86 -5.024 -0.256 -12.088 1.00 10.00 C ATOM 1332 CG LEU A 86 -4.301 1.016 -11.597 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -4.436 2.186 -12.580 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -4.784 1.514 -10.236 1.00 10.00 C ATOM 0 H LEU A 86 -6.348 -1.186 -10.188 1.00 10.00 H new ATOM 0 HA LEU A 86 -6.859 0.839 -12.134 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -4.679 -1.102 -11.494 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -4.726 -0.448 -13.119 1.00 10.00 H new ATOM 0 HG LEU A 86 -3.261 0.701 -11.516 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -3.909 3.055 -12.186 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -4.005 1.905 -13.541 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -5.490 2.430 -12.713 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -4.229 2.410 -9.959 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -5.847 1.748 -10.290 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -4.620 0.740 -9.486 1.00 10.00 H new