USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=16 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 Single : A 7 THR OG1 : rot 180:sc= 0.225 USER MOD Single : A 15 SER OG : rot -169:sc= 0.853 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.0059) USER MOD Single : A 20 ASN : amide:sc= 1.21 K(o=1.2,f=-0.13) USER MOD Single : A 21 THR OG1 : rot 57:sc= 1.2 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.208 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 30:sc= 1.25 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.011 USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= 1.22 (180deg=1.05) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 4:sc= 1.11 USER MOD Single : A 64 SER OG : rot 170:sc= 0.773 USER MOD Single : A 79 TYR OH : rot 180:sc= 0.109 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -2.917 12.464 -14.242 1.00 10.00 N ATOM 95 CA LEU A 6 -2.187 12.017 -13.061 1.00 10.00 C ATOM 96 C LEU A 6 -0.990 12.933 -12.778 1.00 10.00 C ATOM 97 O LEU A 6 0.028 12.883 -13.469 1.00 10.00 O ATOM 98 CB LEU A 6 -1.710 10.565 -13.268 1.00 10.00 C ATOM 99 CG LEU A 6 -2.819 9.497 -13.330 1.00 10.00 C ATOM 100 CD1 LEU A 6 -2.193 8.121 -13.578 1.00 10.00 C ATOM 101 CD2 LEU A 6 -3.632 9.439 -12.035 1.00 10.00 C ATOM 0 HA LEU A 6 -2.855 12.060 -12.201 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -1.136 10.520 -14.193 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -1.029 10.307 -12.457 1.00 10.00 H new ATOM 0 HG LEU A 6 -3.490 9.770 -14.144 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -2.978 7.366 -13.622 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -1.649 8.134 -14.522 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -1.505 7.882 -12.767 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -4.402 8.673 -12.123 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -2.972 9.196 -11.202 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -4.101 10.406 -11.856 1.00 10.00 H new ATOM 113 N THR A 7 -1.124 13.748 -11.729 1.00 10.00 N ATOM 114 CA THR A 7 -0.056 14.567 -11.155 1.00 10.00 C ATOM 115 C THR A 7 0.015 14.330 -9.641 1.00 10.00 C ATOM 116 O THR A 7 -0.623 13.415 -9.124 1.00 10.00 O ATOM 117 CB THR A 7 -0.245 16.044 -11.552 1.00 10.00 C ATOM 118 OG1 THR A 7 0.894 16.791 -11.181 1.00 10.00 O ATOM 119 CG2 THR A 7 -1.476 16.724 -10.950 1.00 10.00 C ATOM 0 H THR A 7 -2.012 13.859 -11.239 1.00 10.00 H new ATOM 0 HA THR A 7 0.913 14.274 -11.560 1.00 10.00 H new ATOM 0 HB THR A 7 -0.392 16.026 -12.632 1.00 10.00 H new ATOM 0 HG1 THR A 7 0.768 17.728 -11.438 1.00 10.00 H new ATOM 0 HG21 THR A 7 -1.522 17.759 -11.288 1.00 10.00 H new ATOM 0 HG22 THR A 7 -2.375 16.198 -11.270 1.00 10.00 H new ATOM 0 HG23 THR A 7 -1.409 16.700 -9.862 1.00 10.00 H new ATOM 127 N GLU A 8 0.814 15.130 -8.930 1.00 10.00 N ATOM 128 CA GLU A 8 1.099 15.008 -7.495 1.00 10.00 C ATOM 129 C GLU A 8 -0.154 14.703 -6.663 1.00 10.00 C ATOM 130 O GLU A 8 -0.128 13.782 -5.854 1.00 10.00 O ATOM 131 CB GLU A 8 1.767 16.301 -6.999 1.00 10.00 C ATOM 132 CG GLU A 8 3.125 16.572 -7.666 1.00 10.00 C ATOM 133 CD GLU A 8 3.649 17.965 -7.301 1.00 10.00 C ATOM 134 OE1 GLU A 8 3.124 18.940 -7.886 1.00 10.00 O ATOM 135 OE2 GLU A 8 4.564 18.041 -6.452 1.00 10.00 O ATOM 0 H GLU A 8 1.303 15.917 -9.357 1.00 10.00 H new ATOM 0 HA GLU A 8 1.772 14.161 -7.363 1.00 10.00 H new ATOM 0 HB2 GLU A 8 1.101 17.143 -7.189 1.00 10.00 H new ATOM 0 HB3 GLU A 8 1.905 16.241 -5.919 1.00 10.00 H new ATOM 0 HG2 GLU A 8 3.845 15.816 -7.353 1.00 10.00 H new ATOM 0 HG3 GLU A 8 3.025 16.489 -8.748 1.00 10.00 H new ATOM 142 N GLY A 9 -1.266 15.407 -6.918 1.00 10.00 N ATOM 143 CA GLY A 9 -2.537 15.199 -6.222 1.00 10.00 C ATOM 144 C GLY A 9 -3.111 13.795 -6.420 1.00 10.00 C ATOM 145 O GLY A 9 -3.316 13.076 -5.446 1.00 10.00 O ATOM 0 H GLY A 9 -1.305 16.144 -7.622 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -2.394 15.379 -5.157 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -3.261 15.933 -6.575 1.00 10.00 H new ATOM 149 N ASP A 10 -3.324 13.381 -7.672 1.00 10.00 N ATOM 150 CA ASP A 10 -3.922 12.088 -8.026 1.00 10.00 C ATOM 151 C ASP A 10 -3.023 10.938 -7.552 1.00 10.00 C ATOM 152 O ASP A 10 -3.479 9.916 -7.032 1.00 10.00 O ATOM 153 CB ASP A 10 -4.019 11.971 -9.561 1.00 10.00 C ATOM 154 CG ASP A 10 -4.427 13.260 -10.271 1.00 10.00 C ATOM 155 OD1 ASP A 10 -3.555 14.161 -10.300 1.00 10.00 O ATOM 156 OD2 ASP A 10 -5.546 13.304 -10.823 1.00 10.00 O ATOM 0 H ASP A 10 -3.081 13.946 -8.486 1.00 10.00 H new ATOM 0 HA ASP A 10 -4.904 12.029 -7.556 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -3.053 11.647 -9.950 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -4.740 11.191 -9.808 1.00 10.00 H new ATOM 161 N LEU A 11 -1.715 11.126 -7.759 1.00 10.00 N ATOM 162 CA LEU A 11 -0.683 10.166 -7.422 1.00 10.00 C ATOM 163 C LEU A 11 -0.559 10.013 -5.899 1.00 10.00 C ATOM 164 O LEU A 11 -0.442 8.879 -5.438 1.00 10.00 O ATOM 165 CB LEU A 11 0.619 10.589 -8.129 1.00 10.00 C ATOM 166 CG LEU A 11 0.567 10.479 -9.676 1.00 10.00 C ATOM 167 CD1 LEU A 11 1.900 10.926 -10.283 1.00 10.00 C ATOM 168 CD2 LEU A 11 0.276 9.059 -10.178 1.00 10.00 C ATOM 0 H LEU A 11 -1.345 11.979 -8.179 1.00 10.00 H new ATOM 0 HA LEU A 11 -0.938 9.168 -7.780 1.00 10.00 H new ATOM 0 HB2 LEU A 11 0.849 11.619 -7.857 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.437 9.971 -7.759 1.00 10.00 H new ATOM 0 HG LEU A 11 -0.253 11.125 -9.990 1.00 10.00 H new ATOM 0 HD11 LEU A 11 1.851 10.844 -11.369 1.00 10.00 H new ATOM 0 HD12 LEU A 11 2.097 11.962 -10.006 1.00 10.00 H new ATOM 0 HD13 LEU A 11 2.702 10.291 -9.907 1.00 10.00 H new ATOM 0 HD21 LEU A 11 0.254 9.056 -11.268 1.00 10.00 H new ATOM 0 HD22 LEU A 11 1.056 8.383 -9.829 1.00 10.00 H new ATOM 0 HD23 LEU A 11 -0.689 8.728 -9.795 1.00 10.00 H new ATOM 180 N ASP A 12 -0.644 11.095 -5.109 1.00 10.00 N ATOM 181 CA ASP A 12 -0.785 11.012 -3.650 1.00 10.00 C ATOM 182 C ASP A 12 -2.138 10.500 -3.146 1.00 10.00 C ATOM 183 O ASP A 12 -2.158 9.808 -2.132 1.00 10.00 O ATOM 184 CB ASP A 12 -0.278 12.252 -2.895 1.00 10.00 C ATOM 185 CG ASP A 12 1.216 12.135 -2.549 1.00 10.00 C ATOM 186 OD1 ASP A 12 1.642 11.010 -2.173 1.00 10.00 O ATOM 187 OD2 ASP A 12 1.910 13.172 -2.618 1.00 10.00 O ATOM 0 H ASP A 12 -0.617 12.050 -5.465 1.00 10.00 H new ATOM 0 HA ASP A 12 -0.093 10.212 -3.387 1.00 10.00 H new ATOM 0 HB2 ASP A 12 -0.442 13.141 -3.504 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -0.855 12.382 -1.979 1.00 10.00 H new ATOM 192 N GLU A 13 -3.275 10.800 -3.788 1.00 10.00 N ATOM 193 CA GLU A 13 -4.533 10.113 -3.441 1.00 10.00 C ATOM 194 C GLU A 13 -4.355 8.586 -3.542 1.00 10.00 C ATOM 195 O GLU A 13 -4.759 7.855 -2.634 1.00 10.00 O ATOM 196 CB GLU A 13 -5.695 10.573 -4.339 1.00 10.00 C ATOM 197 CG GLU A 13 -6.235 11.960 -3.968 1.00 10.00 C ATOM 198 CD GLU A 13 -7.395 12.360 -4.889 1.00 10.00 C ATOM 199 OE1 GLU A 13 -7.124 12.652 -6.076 1.00 10.00 O ATOM 200 OE2 GLU A 13 -8.547 12.360 -4.398 1.00 10.00 O ATOM 0 H GLU A 13 -3.354 11.494 -4.531 1.00 10.00 H new ATOM 0 HA GLU A 13 -4.781 10.376 -2.413 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -5.360 10.586 -5.376 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -6.505 9.846 -4.275 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -6.572 11.958 -2.932 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -5.436 12.698 -4.042 1.00 10.00 H new ATOM 207 N ILE A 14 -3.668 8.107 -4.590 1.00 10.00 N ATOM 208 CA ILE A 14 -3.274 6.699 -4.723 1.00 10.00 C ATOM 209 C ILE A 14 -2.210 6.293 -3.681 1.00 10.00 C ATOM 210 O ILE A 14 -2.379 5.249 -3.051 1.00 10.00 O ATOM 211 CB ILE A 14 -2.855 6.406 -6.182 1.00 10.00 C ATOM 212 CG1 ILE A 14 -4.108 6.472 -7.092 1.00 10.00 C ATOM 213 CG2 ILE A 14 -2.157 5.038 -6.310 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.828 6.373 -8.598 1.00 10.00 C ATOM 0 H ILE A 14 -3.369 8.690 -5.372 1.00 10.00 H new ATOM 0 HA ILE A 14 -4.135 6.069 -4.501 1.00 10.00 H new ATOM 0 HB ILE A 14 -2.134 7.160 -6.497 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.785 5.665 -6.811 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.630 7.409 -6.897 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -1.878 4.868 -7.350 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.262 5.026 -5.687 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -2.837 4.251 -5.984 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.768 6.429 -9.147 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -3.180 7.195 -8.902 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -3.337 5.424 -8.815 1.00 10.00 H new ATOM 226 N SER A 15 -1.160 7.095 -3.435 1.00 10.00 N ATOM 227 CA SER A 15 -0.133 6.786 -2.421 1.00 10.00 C ATOM 228 C SER A 15 -0.748 6.637 -1.020 1.00 10.00 C ATOM 229 O SER A 15 -0.433 5.690 -0.297 1.00 10.00 O ATOM 230 CB SER A 15 1.011 7.829 -2.432 1.00 10.00 C ATOM 231 OG SER A 15 0.814 8.865 -1.484 1.00 10.00 O ATOM 0 H SER A 15 -0.998 7.972 -3.930 1.00 10.00 H new ATOM 0 HA SER A 15 0.304 5.824 -2.687 1.00 10.00 H new ATOM 0 HB2 SER A 15 1.957 7.328 -2.226 1.00 10.00 H new ATOM 0 HB3 SER A 15 1.092 8.264 -3.428 1.00 10.00 H new ATOM 0 HG SER A 15 1.465 9.581 -1.642 1.00 10.00 H new ATOM 237 N SER A 16 -1.707 7.508 -0.687 1.00 10.00 N ATOM 238 CA SER A 16 -2.481 7.489 0.550 1.00 10.00 C ATOM 239 C SER A 16 -3.425 6.286 0.608 1.00 10.00 C ATOM 240 O SER A 16 -3.441 5.584 1.619 1.00 10.00 O ATOM 241 CB SER A 16 -3.269 8.797 0.655 1.00 10.00 C ATOM 242 OG SER A 16 -3.946 8.864 1.892 1.00 10.00 O ATOM 0 H SER A 16 -1.973 8.277 -1.302 1.00 10.00 H new ATOM 0 HA SER A 16 -1.797 7.396 1.393 1.00 10.00 H new ATOM 0 HB2 SER A 16 -2.592 9.646 0.557 1.00 10.00 H new ATOM 0 HB3 SER A 16 -3.986 8.864 -0.163 1.00 10.00 H new ATOM 0 HG SER A 16 -4.445 9.706 1.947 1.00 10.00 H new ATOM 248 N PHE A 17 -4.133 5.968 -0.489 1.00 10.00 N ATOM 249 CA PHE A 17 -4.975 4.769 -0.562 1.00 10.00 C ATOM 250 C PHE A 17 -4.159 3.484 -0.355 1.00 10.00 C ATOM 251 O PHE A 17 -4.578 2.596 0.393 1.00 10.00 O ATOM 252 CB PHE A 17 -5.720 4.749 -1.907 1.00 10.00 C ATOM 253 CG PHE A 17 -6.540 3.495 -2.151 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.663 3.220 -1.346 1.00 10.00 C ATOM 255 CD2 PHE A 17 -6.173 2.592 -3.169 1.00 10.00 C ATOM 256 CE1 PHE A 17 -8.406 2.043 -1.550 1.00 10.00 C ATOM 257 CE2 PHE A 17 -6.919 1.417 -3.374 1.00 10.00 C ATOM 258 CZ PHE A 17 -8.033 1.141 -2.562 1.00 10.00 C ATOM 0 H PHE A 17 -4.136 6.530 -1.340 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.703 4.807 0.248 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.380 5.615 -1.956 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.994 4.856 -2.713 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -7.954 3.914 -0.571 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -5.317 2.803 -3.793 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -9.264 1.832 -0.929 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -6.636 0.727 -4.155 1.00 10.00 H new ATOM 0 HZ PHE A 17 -8.602 0.236 -2.716 1.00 10.00 H new ATOM 268 N LEU A 18 -2.971 3.399 -0.964 1.00 10.00 N ATOM 269 CA LEU A 18 -2.039 2.288 -0.778 1.00 10.00 C ATOM 270 C LEU A 18 -1.500 2.230 0.659 1.00 10.00 C ATOM 271 O LEU A 18 -1.547 1.164 1.274 1.00 10.00 O ATOM 272 CB LEU A 18 -0.904 2.415 -1.810 1.00 10.00 C ATOM 273 CG LEU A 18 -1.360 2.130 -3.254 1.00 10.00 C ATOM 274 CD1 LEU A 18 -0.264 2.506 -4.254 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.703 0.656 -3.454 1.00 10.00 C ATOM 0 H LEU A 18 -2.628 4.111 -1.608 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.566 1.348 -0.939 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.487 3.421 -1.760 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -0.103 1.724 -1.546 1.00 10.00 H new ATOM 0 HG LEU A 18 -2.250 2.735 -3.427 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -0.608 2.296 -5.267 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -0.035 3.568 -4.161 1.00 10.00 H new ATOM 0 HD13 LEU A 18 0.633 1.922 -4.047 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -2.020 0.493 -4.484 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -0.824 0.046 -3.244 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.510 0.375 -2.777 1.00 10.00 H new ATOM 287 N HIS A 19 -1.060 3.360 1.228 1.00 10.00 N ATOM 288 CA HIS A 19 -0.604 3.430 2.618 1.00 10.00 C ATOM 289 C HIS A 19 -1.696 2.987 3.602 1.00 10.00 C ATOM 290 O HIS A 19 -1.436 2.122 4.442 1.00 10.00 O ATOM 291 CB HIS A 19 -0.106 4.852 2.921 1.00 10.00 C ATOM 292 CG HIS A 19 0.210 5.118 4.376 1.00 10.00 C ATOM 293 ND1 HIS A 19 -0.006 6.305 5.037 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.719 4.239 5.296 1.00 10.00 C ATOM 295 CE1 HIS A 19 0.364 6.141 6.319 1.00 10.00 C ATOM 296 NE2 HIS A 19 0.808 4.892 6.528 1.00 10.00 N ATOM 0 H HIS A 19 -1.011 4.251 0.735 1.00 10.00 H new ATOM 0 HA HIS A 19 0.223 2.733 2.749 1.00 10.00 H new ATOM 0 HB2 HIS A 19 0.789 5.042 2.329 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.863 5.564 2.592 1.00 10.00 H new ATOM 0 HD2 HIS A 19 1.003 3.215 5.102 1.00 10.00 H new ATOM 0 HE1 HIS A 19 0.311 6.909 7.077 1.00 10.00 H new ATOM 0 HE2 HIS A 19 1.143 4.499 7.408 1.00 10.00 H new ATOM 304 N ASN A 20 -2.923 3.515 3.471 1.00 10.00 N ATOM 305 CA ASN A 20 -4.050 3.067 4.290 1.00 10.00 C ATOM 306 C ASN A 20 -4.338 1.580 4.069 1.00 10.00 C ATOM 307 O ASN A 20 -4.531 0.867 5.045 1.00 10.00 O ATOM 308 CB ASN A 20 -5.309 3.925 4.053 1.00 10.00 C ATOM 309 CG ASN A 20 -5.717 4.661 5.320 1.00 10.00 C ATOM 310 OD1 ASN A 20 -5.420 5.832 5.499 1.00 10.00 O ATOM 311 ND2 ASN A 20 -6.383 4.004 6.248 1.00 10.00 N ATOM 0 H ASN A 20 -3.155 4.252 2.805 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.765 3.199 5.334 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -5.118 4.644 3.257 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -6.129 3.289 3.718 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -6.649 4.474 7.113 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -6.632 3.026 6.101 1.00 10.00 H new ATOM 318 N THR A 21 -4.264 1.085 2.826 1.00 10.00 N ATOM 319 CA THR A 21 -4.539 -0.327 2.524 1.00 10.00 C ATOM 320 C THR A 21 -3.562 -1.242 3.266 1.00 10.00 C ATOM 321 O THR A 21 -4.008 -2.191 3.906 1.00 10.00 O ATOM 322 CB THR A 21 -4.491 -0.597 1.008 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.451 0.194 0.345 1.00 10.00 O ATOM 324 CG2 THR A 21 -4.812 -2.051 0.654 1.00 10.00 C ATOM 0 H THR A 21 -4.015 1.644 2.010 1.00 10.00 H new ATOM 0 HA THR A 21 -5.549 -0.548 2.870 1.00 10.00 H new ATOM 0 HB THR A 21 -3.473 -0.361 0.696 1.00 10.00 H new ATOM 0 HG1 THR A 21 -5.288 1.140 0.543 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.763 -2.182 -0.427 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.088 -2.710 1.132 1.00 10.00 H new ATOM 0 HG23 THR A 21 -5.814 -2.298 1.004 1.00 10.00 H new ATOM 332 N ILE A 22 -2.257 -0.933 3.267 1.00 10.00 N ATOM 333 CA ILE A 22 -1.269 -1.688 4.058 1.00 10.00 C ATOM 334 C ILE A 22 -1.512 -1.508 5.559 1.00 10.00 C ATOM 335 O ILE A 22 -1.507 -2.496 6.287 1.00 10.00 O ATOM 336 CB ILE A 22 0.172 -1.266 3.707 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.434 -1.491 2.213 1.00 10.00 C ATOM 338 CG2 ILE A 22 1.252 -2.027 4.508 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.851 -1.111 1.817 1.00 10.00 C ATOM 0 H ILE A 22 -1.859 -0.164 2.728 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.392 -2.741 3.806 1.00 10.00 H new ATOM 0 HB ILE A 22 0.247 -0.211 3.971 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.258 -2.539 1.968 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.275 -0.904 1.629 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.240 -1.678 4.209 1.00 10.00 H new ATOM 0 HG22 ILE A 22 1.110 -1.845 5.573 1.00 10.00 H new ATOM 0 HG23 ILE A 22 1.168 -3.095 4.308 1.00 10.00 H new ATOM 0 HD11 ILE A 22 1.990 -1.287 0.750 1.00 10.00 H new ATOM 0 HD12 ILE A 22 2.020 -0.057 2.036 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.561 -1.716 2.381 1.00 10.00 H new ATOM 351 N SER A 23 -1.729 -0.274 6.030 1.00 10.00 N ATOM 352 CA SER A 23 -1.922 0.013 7.457 1.00 10.00 C ATOM 353 C SER A 23 -3.144 -0.718 8.033 1.00 10.00 C ATOM 354 O SER A 23 -3.021 -1.457 9.011 1.00 10.00 O ATOM 355 CB SER A 23 -2.028 1.527 7.656 1.00 10.00 C ATOM 356 OG SER A 23 -2.042 1.834 9.033 1.00 10.00 O ATOM 0 H SER A 23 -1.776 0.552 5.434 1.00 10.00 H new ATOM 0 HA SER A 23 -1.058 -0.361 8.007 1.00 10.00 H new ATOM 0 HB2 SER A 23 -1.188 2.025 7.173 1.00 10.00 H new ATOM 0 HB3 SER A 23 -2.936 1.901 7.182 1.00 10.00 H new ATOM 0 HG SER A 23 -2.108 2.805 9.151 1.00 10.00 H new ATOM 362 N ASP A 24 -4.305 -0.608 7.379 1.00 10.00 N ATOM 363 CA ASP A 24 -5.527 -1.322 7.751 1.00 10.00 C ATOM 364 C ASP A 24 -5.364 -2.845 7.616 1.00 10.00 C ATOM 365 O ASP A 24 -5.883 -3.592 8.448 1.00 10.00 O ATOM 366 CB ASP A 24 -6.709 -0.819 6.903 1.00 10.00 C ATOM 367 CG ASP A 24 -7.084 0.636 7.215 1.00 10.00 C ATOM 368 OD1 ASP A 24 -7.288 0.933 8.412 1.00 10.00 O ATOM 369 OD2 ASP A 24 -7.191 1.442 6.260 1.00 10.00 O ATOM 0 H ASP A 24 -4.422 -0.009 6.562 1.00 10.00 H new ATOM 0 HA ASP A 24 -5.731 -1.115 8.802 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.456 -0.906 5.846 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.574 -1.458 7.077 1.00 10.00 H new ATOM 374 N PHE A 25 -4.606 -3.327 6.619 1.00 10.00 N ATOM 375 CA PHE A 25 -4.275 -4.747 6.515 1.00 10.00 C ATOM 376 C PHE A 25 -3.390 -5.219 7.684 1.00 10.00 C ATOM 377 O PHE A 25 -3.684 -6.242 8.303 1.00 10.00 O ATOM 378 CB PHE A 25 -3.644 -5.046 5.149 1.00 10.00 C ATOM 379 CG PHE A 25 -3.528 -6.525 4.856 1.00 10.00 C ATOM 380 CD1 PHE A 25 -2.513 -7.281 5.465 1.00 10.00 C ATOM 381 CD2 PHE A 25 -4.445 -7.153 3.992 1.00 10.00 C ATOM 382 CE1 PHE A 25 -2.433 -8.658 5.232 1.00 10.00 C ATOM 383 CE2 PHE A 25 -4.377 -8.541 3.777 1.00 10.00 C ATOM 384 CZ PHE A 25 -3.373 -9.295 4.405 1.00 10.00 C ATOM 0 H PHE A 25 -4.213 -2.750 5.876 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.200 -5.319 6.588 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.241 -4.574 4.369 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.652 -4.595 5.108 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.795 -6.800 6.113 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -5.203 -6.567 3.493 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -1.644 -9.235 5.691 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -5.095 -9.025 3.131 1.00 10.00 H new ATOM 0 HZ PHE A 25 -3.323 -10.363 4.253 1.00 10.00 H new ATOM 394 N ILE A 26 -2.350 -4.462 8.056 1.00 10.00 N ATOM 395 CA ILE A 26 -1.518 -4.763 9.215 1.00 10.00 C ATOM 396 C ILE A 26 -2.388 -4.766 10.478 1.00 10.00 C ATOM 397 O ILE A 26 -2.326 -5.731 11.235 1.00 10.00 O ATOM 398 CB ILE A 26 -0.329 -3.775 9.259 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.720 -4.188 8.198 1.00 10.00 C ATOM 400 CG2 ILE A 26 0.295 -3.733 10.655 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.911 -3.229 8.066 1.00 10.00 C ATOM 0 H ILE A 26 -2.065 -3.620 7.555 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.082 -5.760 9.147 1.00 10.00 H new ATOM 0 HB ILE A 26 -0.691 -2.772 9.032 1.00 10.00 H new ATOM 0 HG12 ILE A 26 1.096 -5.181 8.446 1.00 10.00 H new ATOM 0 HG13 ILE A 26 0.226 -4.267 7.230 1.00 10.00 H new ATOM 0 HG21 ILE A 26 1.129 -3.031 10.660 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.454 -3.412 11.379 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.655 -4.726 10.922 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.593 -3.599 7.300 1.00 10.00 H new ATOM 0 HD12 ILE A 26 1.552 -2.239 7.784 1.00 10.00 H new ATOM 0 HD13 ILE A 26 2.436 -3.167 9.019 1.00 10.00 H new ATOM 413 N LEU A 27 -3.274 -3.780 10.663 1.00 10.00 N ATOM 414 CA LEU A 27 -4.216 -3.743 11.788 1.00 10.00 C ATOM 415 C LEU A 27 -5.241 -4.899 11.781 1.00 10.00 C ATOM 416 O LEU A 27 -5.663 -5.315 12.859 1.00 10.00 O ATOM 417 CB LEU A 27 -4.896 -2.361 11.845 1.00 10.00 C ATOM 418 CG LEU A 27 -4.170 -1.339 12.747 1.00 10.00 C ATOM 419 CD1 LEU A 27 -2.692 -1.108 12.408 1.00 10.00 C ATOM 420 CD2 LEU A 27 -4.893 0.009 12.672 1.00 10.00 C ATOM 0 H LEU A 27 -3.358 -2.982 10.034 1.00 10.00 H new ATOM 0 HA LEU A 27 -3.640 -3.896 12.701 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -4.960 -1.957 10.835 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -5.918 -2.485 12.204 1.00 10.00 H new ATOM 0 HG LEU A 27 -4.195 -1.771 13.747 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -2.271 -0.375 13.096 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -2.147 -2.047 12.500 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -2.607 -0.737 11.386 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -4.382 0.732 13.308 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -4.891 0.366 11.642 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -5.922 -0.110 13.012 1.00 10.00 H new ATOM 432 N LYS A 28 -5.600 -5.472 10.616 1.00 10.00 N ATOM 433 CA LYS A 28 -6.397 -6.719 10.523 1.00 10.00 C ATOM 434 C LYS A 28 -5.537 -8.001 10.570 1.00 10.00 C ATOM 435 O LYS A 28 -6.053 -9.111 10.394 1.00 10.00 O ATOM 436 CB LYS A 28 -7.396 -6.652 9.345 1.00 10.00 C ATOM 437 CG LYS A 28 -6.912 -7.247 8.010 1.00 10.00 C ATOM 438 CD LYS A 28 -7.780 -6.843 6.813 1.00 10.00 C ATOM 439 CE LYS A 28 -9.193 -7.424 6.925 1.00 10.00 C ATOM 440 NZ LYS A 28 -10.007 -7.091 5.733 1.00 10.00 N ATOM 0 H LYS A 28 -5.346 -5.084 9.707 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.002 -6.792 11.426 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -8.309 -7.169 9.640 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -7.661 -5.608 9.179 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -5.886 -6.928 7.829 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -6.898 -8.334 8.089 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -7.836 -5.756 6.753 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -7.314 -7.190 5.891 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -9.136 -8.507 7.038 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -9.679 -7.035 7.820 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -10.958 -7.498 5.838 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -10.080 -6.058 5.640 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -9.554 -7.483 4.883 1.00 10.00 H new ATOM 454 N ARG A 29 -4.229 -7.861 10.821 1.00 10.00 N ATOM 455 CA ARG A 29 -3.264 -8.951 11.028 1.00 10.00 C ATOM 456 C ARG A 29 -2.697 -8.998 12.454 1.00 10.00 C ATOM 457 O ARG A 29 -2.708 -10.071 13.050 1.00 10.00 O ATOM 458 CB ARG A 29 -2.141 -8.803 9.983 1.00 10.00 C ATOM 459 CG ARG A 29 -2.176 -9.802 8.815 1.00 10.00 C ATOM 460 CD ARG A 29 -3.476 -9.813 8.000 1.00 10.00 C ATOM 461 NE ARG A 29 -4.497 -10.679 8.601 1.00 10.00 N ATOM 462 CZ ARG A 29 -4.514 -12.004 8.523 1.00 10.00 C ATOM 463 NH1 ARG A 29 -3.681 -12.708 7.783 1.00 10.00 N ATOM 464 NH2 ARG A 29 -5.403 -12.658 9.233 1.00 10.00 N ATOM 0 H ARG A 29 -3.793 -6.941 10.889 1.00 10.00 H new ATOM 0 HA ARG A 29 -3.784 -9.900 10.899 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -2.182 -7.794 9.574 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -1.182 -8.902 10.492 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -1.347 -9.579 8.143 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -2.006 -10.804 9.210 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -3.863 -8.797 7.922 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -3.265 -10.152 6.986 1.00 10.00 H new ATOM 0 HE ARG A 29 -5.252 -10.228 9.118 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -2.970 -12.235 7.226 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -3.748 -13.726 7.768 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -6.058 -12.148 9.825 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -5.439 -13.677 9.192 1.00 10.00 H new ATOM 478 N VAL A 30 -2.228 -7.874 13.007 1.00 10.00 N ATOM 479 CA VAL A 30 -1.630 -7.778 14.351 1.00 10.00 C ATOM 480 C VAL A 30 -1.854 -6.368 14.931 1.00 10.00 C ATOM 481 O VAL A 30 -1.916 -5.385 14.192 1.00 10.00 O ATOM 482 CB VAL A 30 -0.146 -8.215 14.290 1.00 10.00 C ATOM 483 CG1 VAL A 30 0.749 -7.308 13.434 1.00 10.00 C ATOM 484 CG2 VAL A 30 0.475 -8.371 15.681 1.00 10.00 C ATOM 0 H VAL A 30 -2.253 -6.978 12.521 1.00 10.00 H new ATOM 0 HA VAL A 30 -2.121 -8.462 15.043 1.00 10.00 H new ATOM 0 HB VAL A 30 -0.184 -9.187 13.798 1.00 10.00 H new ATOM 0 HG11 VAL A 30 1.771 -7.688 13.447 1.00 10.00 H new ATOM 0 HG12 VAL A 30 0.380 -7.296 12.409 1.00 10.00 H new ATOM 0 HG13 VAL A 30 0.733 -6.296 13.838 1.00 10.00 H new ATOM 0 HG21 VAL A 30 1.516 -8.679 15.582 1.00 10.00 H new ATOM 0 HG22 VAL A 30 0.426 -7.419 16.210 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -0.075 -9.126 16.242 1.00 10.00 H new ATOM 494 N SER A 31 -2.038 -6.257 16.251 1.00 10.00 N ATOM 495 CA SER A 31 -2.482 -5.025 16.909 1.00 10.00 C ATOM 496 C SER A 31 -1.461 -3.890 16.878 1.00 10.00 C ATOM 497 O SER A 31 -0.289 -4.059 17.209 1.00 10.00 O ATOM 498 CB SER A 31 -2.901 -5.276 18.356 1.00 10.00 C ATOM 499 OG SER A 31 -3.380 -4.084 18.956 1.00 10.00 O ATOM 0 H SER A 31 -1.881 -7.029 16.899 1.00 10.00 H new ATOM 0 HA SER A 31 -3.341 -4.703 16.320 1.00 10.00 H new ATOM 0 HB2 SER A 31 -3.677 -6.041 18.387 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.053 -5.659 18.924 1.00 10.00 H new ATOM 0 HG SER A 31 -3.645 -4.267 19.882 1.00 10.00 H new ATOM 505 N ALA A 32 -1.965 -2.688 16.597 1.00 10.00 N ATOM 506 CA ALA A 32 -1.254 -1.418 16.733 1.00 10.00 C ATOM 507 C ALA A 32 -0.591 -1.246 18.117 1.00 10.00 C ATOM 508 O ALA A 32 0.353 -0.474 18.235 1.00 10.00 O ATOM 509 CB ALA A 32 -2.235 -0.277 16.440 1.00 10.00 C ATOM 0 H ALA A 32 -2.918 -2.569 16.255 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.435 -1.403 16.014 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.721 0.679 16.537 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -2.621 -0.380 15.426 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -3.062 -0.317 17.149 1.00 10.00 H new ATOM 515 N LYS A 33 -1.094 -1.928 19.164 1.00 10.00 N ATOM 516 CA LYS A 33 -0.510 -1.934 20.516 1.00 10.00 C ATOM 517 C LYS A 33 0.500 -3.078 20.776 1.00 10.00 C ATOM 518 O LYS A 33 1.189 -3.052 21.790 1.00 10.00 O ATOM 519 CB LYS A 33 -1.670 -1.912 21.527 1.00 10.00 C ATOM 520 CG LYS A 33 -1.254 -1.391 22.914 1.00 10.00 C ATOM 521 CD LYS A 33 -2.453 -1.155 23.845 1.00 10.00 C ATOM 522 CE LYS A 33 -3.318 0.022 23.372 1.00 10.00 C ATOM 523 NZ LYS A 33 -4.433 0.290 24.309 1.00 10.00 N ATOM 0 H LYS A 33 -1.935 -2.501 19.090 1.00 10.00 H new ATOM 0 HA LYS A 33 0.106 -1.042 20.631 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -2.472 -1.286 21.136 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -2.073 -2.919 21.630 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -0.575 -2.107 23.377 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -0.702 -0.459 22.796 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -3.061 -2.058 23.890 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -2.096 -0.960 24.856 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -2.699 0.914 23.277 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -3.718 -0.195 22.382 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -4.996 1.091 23.958 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -5.037 -0.554 24.380 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -4.050 0.521 25.248 1.00 10.00 H new ATOM 537 N GLU A 34 0.614 -4.060 19.873 1.00 10.00 N ATOM 538 CA GLU A 34 1.674 -5.096 19.860 1.00 10.00 C ATOM 539 C GLU A 34 2.869 -4.668 18.980 1.00 10.00 C ATOM 540 O GLU A 34 3.980 -5.202 19.099 1.00 10.00 O ATOM 541 CB GLU A 34 1.096 -6.403 19.285 1.00 10.00 C ATOM 542 CG GLU A 34 -0.030 -7.002 20.138 1.00 10.00 C ATOM 543 CD GLU A 34 -0.729 -8.164 19.416 1.00 10.00 C ATOM 544 OE1 GLU A 34 -1.372 -7.901 18.370 1.00 10.00 O ATOM 545 OE2 GLU A 34 -0.642 -9.299 19.930 1.00 10.00 O ATOM 0 H GLU A 34 -0.047 -4.165 19.103 1.00 10.00 H new ATOM 0 HA GLU A 34 2.021 -5.236 20.884 1.00 10.00 H new ATOM 0 HB2 GLU A 34 0.718 -6.213 18.280 1.00 10.00 H new ATOM 0 HB3 GLU A 34 1.898 -7.135 19.190 1.00 10.00 H new ATOM 0 HG2 GLU A 34 0.378 -7.354 21.085 1.00 10.00 H new ATOM 0 HG3 GLU A 34 -0.760 -6.228 20.374 1.00 10.00 H new ATOM 552 N ILE A 35 2.585 -3.714 18.085 1.00 10.00 N ATOM 553 CA ILE A 35 3.452 -2.947 17.195 1.00 10.00 C ATOM 554 C ILE A 35 4.140 -1.803 17.953 1.00 10.00 C ATOM 555 O ILE A 35 3.489 -1.019 18.639 1.00 10.00 O ATOM 556 CB ILE A 35 2.585 -2.425 16.021 1.00 10.00 C ATOM 557 CG1 ILE A 35 2.222 -3.604 15.088 1.00 10.00 C ATOM 558 CG2 ILE A 35 3.264 -1.303 15.220 1.00 10.00 C ATOM 559 CD1 ILE A 35 1.222 -3.249 13.981 1.00 10.00 C ATOM 0 H ILE A 35 1.614 -3.429 17.955 1.00 10.00 H new ATOM 0 HA ILE A 35 4.250 -3.577 16.803 1.00 10.00 H new ATOM 0 HB ILE A 35 1.683 -1.991 16.453 1.00 10.00 H new ATOM 0 HG12 ILE A 35 3.135 -3.983 14.629 1.00 10.00 H new ATOM 0 HG13 ILE A 35 1.808 -4.414 15.689 1.00 10.00 H new ATOM 0 HG21 ILE A 35 2.605 -0.982 14.413 1.00 10.00 H new ATOM 0 HG22 ILE A 35 3.469 -0.459 15.878 1.00 10.00 H new ATOM 0 HG23 ILE A 35 4.200 -1.671 14.800 1.00 10.00 H new ATOM 0 HD11 ILE A 35 1.023 -4.132 13.374 1.00 10.00 H new ATOM 0 HD12 ILE A 35 0.292 -2.900 14.429 1.00 10.00 H new ATOM 0 HD13 ILE A 35 1.639 -2.463 13.352 1.00 10.00 H new ATOM 571 N VAL A 36 5.468 -1.722 17.829 1.00 10.00 N ATOM 572 CA VAL A 36 6.261 -0.556 18.240 1.00 10.00 C ATOM 573 C VAL A 36 6.045 0.574 17.228 1.00 10.00 C ATOM 574 O VAL A 36 5.705 1.681 17.638 1.00 10.00 O ATOM 575 CB VAL A 36 7.755 -0.934 18.343 1.00 10.00 C ATOM 576 CG1 VAL A 36 8.699 0.275 18.367 1.00 10.00 C ATOM 577 CG2 VAL A 36 7.982 -1.744 19.623 1.00 10.00 C ATOM 0 H VAL A 36 6.032 -2.475 17.435 1.00 10.00 H new ATOM 0 HA VAL A 36 5.938 -0.217 19.224 1.00 10.00 H new ATOM 0 HB VAL A 36 7.988 -1.510 17.447 1.00 10.00 H new ATOM 0 HG11 VAL A 36 9.730 -0.070 18.441 1.00 10.00 H new ATOM 0 HG12 VAL A 36 8.574 0.852 17.451 1.00 10.00 H new ATOM 0 HG13 VAL A 36 8.464 0.903 19.227 1.00 10.00 H new ATOM 0 HG21 VAL A 36 9.035 -2.014 19.701 1.00 10.00 H new ATOM 0 HG22 VAL A 36 7.696 -1.146 20.488 1.00 10.00 H new ATOM 0 HG23 VAL A 36 7.377 -2.650 19.592 1.00 10.00 H new ATOM 587 N ASP A 37 6.198 0.292 15.924 1.00 10.00 N ATOM 588 CA ASP A 37 5.833 1.225 14.848 1.00 10.00 C ATOM 589 C ASP A 37 5.693 0.538 13.469 1.00 10.00 C ATOM 590 O ASP A 37 6.009 -0.645 13.303 1.00 10.00 O ATOM 591 CB ASP A 37 6.850 2.392 14.774 1.00 10.00 C ATOM 592 CG ASP A 37 6.168 3.736 14.480 1.00 10.00 C ATOM 593 OD1 ASP A 37 5.116 3.713 13.797 1.00 10.00 O ATOM 594 OD2 ASP A 37 6.690 4.767 14.958 1.00 10.00 O ATOM 0 H ASP A 37 6.579 -0.592 15.587 1.00 10.00 H new ATOM 0 HA ASP A 37 4.848 1.619 15.099 1.00 10.00 H new ATOM 0 HB2 ASP A 37 7.392 2.460 15.717 1.00 10.00 H new ATOM 0 HB3 ASP A 37 7.586 2.182 13.998 1.00 10.00 H new ATOM 599 N ILE A 38 5.253 1.309 12.469 1.00 10.00 N ATOM 600 CA ILE A 38 5.226 0.928 11.051 1.00 10.00 C ATOM 601 C ILE A 38 5.820 2.047 10.193 1.00 10.00 C ATOM 602 O ILE A 38 5.560 3.227 10.415 1.00 10.00 O ATOM 603 CB ILE A 38 3.804 0.557 10.555 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.731 1.628 10.869 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.404 -0.820 11.100 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.342 1.319 10.289 1.00 10.00 C ATOM 0 H ILE A 38 4.893 2.250 12.630 1.00 10.00 H new ATOM 0 HA ILE A 38 5.836 0.030 10.949 1.00 10.00 H new ATOM 0 HB ILE A 38 3.850 0.516 9.467 1.00 10.00 H new ATOM 0 HG12 ILE A 38 2.645 1.734 11.950 1.00 10.00 H new ATOM 0 HG13 ILE A 38 3.069 2.589 10.481 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.404 -1.074 10.748 1.00 10.00 H new ATOM 0 HG22 ILE A 38 4.114 -1.570 10.750 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.409 -0.796 12.190 1.00 10.00 H new ATOM 0 HD11 ILE A 38 0.651 2.119 10.555 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.409 1.244 9.204 1.00 10.00 H new ATOM 0 HD13 ILE A 38 0.979 0.375 10.696 1.00 10.00 H new ATOM 618 N ASP A 39 6.565 1.658 9.159 1.00 10.00 N ATOM 619 CA ASP A 39 7.227 2.575 8.230 1.00 10.00 C ATOM 620 C ASP A 39 6.834 2.184 6.806 1.00 10.00 C ATOM 621 O ASP A 39 7.198 1.113 6.329 1.00 10.00 O ATOM 622 CB ASP A 39 8.749 2.546 8.438 1.00 10.00 C ATOM 623 CG ASP A 39 9.188 3.397 9.630 1.00 10.00 C ATOM 624 OD1 ASP A 39 9.241 4.633 9.443 1.00 10.00 O ATOM 625 OD2 ASP A 39 9.501 2.806 10.687 1.00 10.00 O ATOM 0 H ASP A 39 6.729 0.676 8.939 1.00 10.00 H new ATOM 0 HA ASP A 39 6.907 3.601 8.414 1.00 10.00 H new ATOM 0 HB2 ASP A 39 9.073 1.517 8.590 1.00 10.00 H new ATOM 0 HB3 ASP A 39 9.244 2.906 7.536 1.00 10.00 H new ATOM 630 N ILE A 40 6.045 3.029 6.134 1.00 10.00 N ATOM 631 CA ILE A 40 5.475 2.730 4.817 1.00 10.00 C ATOM 632 C ILE A 40 5.764 3.893 3.874 1.00 10.00 C ATOM 633 O ILE A 40 5.305 5.014 4.091 1.00 10.00 O ATOM 634 CB ILE A 40 3.965 2.403 4.921 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.768 1.042 5.624 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.321 2.342 3.518 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.359 0.798 6.161 1.00 10.00 C ATOM 0 H ILE A 40 5.782 3.947 6.492 1.00 10.00 H new ATOM 0 HA ILE A 40 5.944 1.836 4.406 1.00 10.00 H new ATOM 0 HB ILE A 40 3.486 3.193 5.500 1.00 10.00 H new ATOM 0 HG12 ILE A 40 4.017 0.246 4.922 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.475 0.970 6.451 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.260 2.111 3.614 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.439 3.305 3.021 1.00 10.00 H new ATOM 0 HG23 ILE A 40 3.809 1.567 2.927 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.316 -0.181 6.637 1.00 10.00 H new ATOM 0 HD12 ILE A 40 2.109 1.568 6.891 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.645 0.833 5.338 1.00 10.00 H new ATOM 649 N THR A 41 6.501 3.589 2.805 1.00 10.00 N ATOM 650 CA THR A 41 6.823 4.517 1.725 1.00 10.00 C ATOM 651 C THR A 41 6.266 3.952 0.424 1.00 10.00 C ATOM 652 O THR A 41 6.673 2.882 -0.035 1.00 10.00 O ATOM 653 CB THR A 41 8.337 4.767 1.619 1.00 10.00 C ATOM 654 OG1 THR A 41 8.864 5.147 2.870 1.00 10.00 O ATOM 655 CG2 THR A 41 8.644 5.918 0.658 1.00 10.00 C ATOM 0 H THR A 41 6.902 2.662 2.664 1.00 10.00 H new ATOM 0 HA THR A 41 6.367 5.484 1.935 1.00 10.00 H new ATOM 0 HB THR A 41 8.781 3.837 1.263 1.00 10.00 H new ATOM 0 HG1 THR A 41 9.828 5.301 2.786 1.00 10.00 H new ATOM 0 HG21 THR A 41 9.722 6.070 0.605 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.262 5.676 -0.334 1.00 10.00 H new ATOM 0 HG23 THR A 41 8.166 6.829 1.018 1.00 10.00 H new ATOM 663 N VAL A 42 5.341 4.697 -0.181 1.00 10.00 N ATOM 664 CA VAL A 42 4.782 4.395 -1.497 1.00 10.00 C ATOM 665 C VAL A 42 5.373 5.398 -2.479 1.00 10.00 C ATOM 666 O VAL A 42 5.277 6.606 -2.263 1.00 10.00 O ATOM 667 CB VAL A 42 3.245 4.479 -1.477 1.00 10.00 C ATOM 668 CG1 VAL A 42 2.681 4.171 -2.869 1.00 10.00 C ATOM 669 CG2 VAL A 42 2.629 3.489 -0.477 1.00 10.00 C ATOM 0 H VAL A 42 4.953 5.542 0.238 1.00 10.00 H new ATOM 0 HA VAL A 42 5.034 3.377 -1.794 1.00 10.00 H new ATOM 0 HB VAL A 42 2.986 5.493 -1.173 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.593 4.233 -2.843 1.00 10.00 H new ATOM 0 HG12 VAL A 42 3.069 4.894 -3.587 1.00 10.00 H new ATOM 0 HG13 VAL A 42 2.980 3.166 -3.168 1.00 10.00 H new ATOM 0 HG21 VAL A 42 1.543 3.582 -0.495 1.00 10.00 H new ATOM 0 HG22 VAL A 42 2.911 2.472 -0.751 1.00 10.00 H new ATOM 0 HG23 VAL A 42 2.995 3.709 0.526 1.00 10.00 H new ATOM 679 N LEU A 43 5.980 4.893 -3.552 1.00 10.00 N ATOM 680 CA LEU A 43 6.577 5.690 -4.612 1.00 10.00 C ATOM 681 C LEU A 43 5.841 5.391 -5.918 1.00 10.00 C ATOM 682 O LEU A 43 5.482 4.249 -6.203 1.00 10.00 O ATOM 683 CB LEU A 43 8.088 5.418 -4.745 1.00 10.00 C ATOM 684 CG LEU A 43 8.909 5.590 -3.447 1.00 10.00 C ATOM 685 CD1 LEU A 43 9.064 4.269 -2.679 1.00 10.00 C ATOM 686 CD2 LEU A 43 10.317 6.097 -3.773 1.00 10.00 C ATOM 0 H LEU A 43 6.070 3.889 -3.708 1.00 10.00 H new ATOM 0 HA LEU A 43 6.475 6.748 -4.369 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.226 4.400 -5.110 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.495 6.087 -5.504 1.00 10.00 H new ATOM 0 HG LEU A 43 8.363 6.304 -2.830 1.00 10.00 H new ATOM 0 HD11 LEU A 43 9.648 4.440 -1.775 1.00 10.00 H new ATOM 0 HD12 LEU A 43 8.079 3.888 -2.408 1.00 10.00 H new ATOM 0 HD13 LEU A 43 9.575 3.540 -3.308 1.00 10.00 H new ATOM 0 HD21 LEU A 43 10.885 6.214 -2.850 1.00 10.00 H new ATOM 0 HD22 LEU A 43 10.821 5.380 -4.421 1.00 10.00 H new ATOM 0 HD23 LEU A 43 10.249 7.059 -4.281 1.00 10.00 H new ATOM 698 N VAL A 44 5.590 6.435 -6.702 1.00 10.00 N ATOM 699 CA VAL A 44 4.959 6.329 -8.014 1.00 10.00 C ATOM 700 C VAL A 44 5.662 7.294 -8.968 1.00 10.00 C ATOM 701 O VAL A 44 5.954 8.432 -8.602 1.00 10.00 O ATOM 702 CB VAL A 44 3.433 6.529 -7.897 1.00 10.00 C ATOM 703 CG1 VAL A 44 3.024 7.853 -7.243 1.00 10.00 C ATOM 704 CG2 VAL A 44 2.754 6.407 -9.265 1.00 10.00 C ATOM 0 H VAL A 44 5.823 7.393 -6.440 1.00 10.00 H new ATOM 0 HA VAL A 44 5.075 5.330 -8.434 1.00 10.00 H new ATOM 0 HB VAL A 44 3.094 5.731 -7.237 1.00 10.00 H new ATOM 0 HG11 VAL A 44 1.937 7.916 -7.199 1.00 10.00 H new ATOM 0 HG12 VAL A 44 3.432 7.901 -6.233 1.00 10.00 H new ATOM 0 HG13 VAL A 44 3.412 8.685 -7.831 1.00 10.00 H new ATOM 0 HG21 VAL A 44 1.680 6.552 -9.152 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.154 7.165 -9.939 1.00 10.00 H new ATOM 0 HG23 VAL A 44 2.945 5.417 -9.679 1.00 10.00 H new ATOM 714 N GLU A 45 5.971 6.823 -10.176 1.00 10.00 N ATOM 715 CA GLU A 45 6.825 7.522 -11.136 1.00 10.00 C ATOM 716 C GLU A 45 6.319 7.290 -12.565 1.00 10.00 C ATOM 717 O GLU A 45 5.633 6.302 -12.848 1.00 10.00 O ATOM 718 CB GLU A 45 8.278 7.030 -10.965 1.00 10.00 C ATOM 719 CG GLU A 45 9.313 7.902 -11.693 1.00 10.00 C ATOM 720 CD GLU A 45 10.736 7.376 -11.485 1.00 10.00 C ATOM 721 OE1 GLU A 45 11.140 6.498 -12.282 1.00 10.00 O ATOM 722 OE2 GLU A 45 11.404 7.869 -10.549 1.00 10.00 O ATOM 0 H GLU A 45 5.628 5.927 -10.522 1.00 10.00 H new ATOM 0 HA GLU A 45 6.794 8.595 -10.949 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.521 7.003 -9.903 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.352 6.007 -11.335 1.00 10.00 H new ATOM 0 HG2 GLU A 45 9.085 7.926 -12.759 1.00 10.00 H new ATOM 0 HG3 GLU A 45 9.246 8.927 -11.330 1.00 10.00 H new ATOM 729 N TYR A 46 6.678 8.197 -13.479 1.00 10.00 N ATOM 730 CA TYR A 46 6.311 8.084 -14.881 1.00 10.00 C ATOM 731 C TYR A 46 7.495 8.512 -15.759 1.00 10.00 C ATOM 732 O TYR A 46 7.829 9.694 -15.829 1.00 10.00 O ATOM 733 CB TYR A 46 5.042 8.912 -15.145 1.00 10.00 C ATOM 734 CG TYR A 46 4.361 8.440 -16.406 1.00 10.00 C ATOM 735 CD1 TYR A 46 4.957 8.653 -17.661 1.00 10.00 C ATOM 736 CD2 TYR A 46 3.224 7.622 -16.289 1.00 10.00 C ATOM 737 CE1 TYR A 46 4.492 7.939 -18.777 1.00 10.00 C ATOM 738 CE2 TYR A 46 2.736 6.929 -17.408 1.00 10.00 C ATOM 739 CZ TYR A 46 3.420 7.029 -18.641 1.00 10.00 C ATOM 740 OH TYR A 46 3.110 6.201 -19.674 1.00 10.00 O ATOM 0 H TYR A 46 7.230 9.026 -13.261 1.00 10.00 H new ATOM 0 HA TYR A 46 6.081 7.050 -15.136 1.00 10.00 H new ATOM 0 HB2 TYR A 46 4.359 8.823 -14.300 1.00 10.00 H new ATOM 0 HB3 TYR A 46 5.300 9.967 -15.236 1.00 10.00 H new ATOM 0 HD1 TYR A 46 5.766 9.360 -17.766 1.00 10.00 H new ATOM 0 HD2 TYR A 46 2.725 7.526 -15.336 1.00 10.00 H new ATOM 0 HE1 TYR A 46 4.955 8.086 -19.742 1.00 10.00 H new ATOM 0 HE2 TYR A 46 1.845 6.324 -17.327 1.00 10.00 H new ATOM 0 HH TYR A 46 3.921 5.999 -20.186 1.00 10.00 H new ATOM 750 N THR A 47 8.137 7.546 -16.423 1.00 10.00 N ATOM 751 CA THR A 47 9.265 7.765 -17.342 1.00 10.00 C ATOM 752 C THR A 47 8.999 7.004 -18.644 1.00 10.00 C ATOM 753 O THR A 47 9.537 5.916 -18.851 1.00 10.00 O ATOM 754 CB THR A 47 10.610 7.402 -16.668 1.00 10.00 C ATOM 755 OG1 THR A 47 11.606 7.273 -17.654 1.00 10.00 O ATOM 756 CG2 THR A 47 10.609 6.105 -15.850 1.00 10.00 C ATOM 0 H THR A 47 7.882 6.562 -16.336 1.00 10.00 H new ATOM 0 HA THR A 47 9.351 8.822 -17.594 1.00 10.00 H new ATOM 0 HB THR A 47 10.798 8.217 -15.969 1.00 10.00 H new ATOM 0 HG1 THR A 47 12.459 7.045 -17.229 1.00 10.00 H new ATOM 0 HG21 THR A 47 11.598 5.944 -15.421 1.00 10.00 H new ATOM 0 HG22 THR A 47 9.874 6.181 -15.048 1.00 10.00 H new ATOM 0 HG23 THR A 47 10.354 5.266 -16.498 1.00 10.00 H new ATOM 764 N ASP A 48 8.177 7.595 -19.524 1.00 10.00 N ATOM 765 CA ASP A 48 7.555 6.987 -20.723 1.00 10.00 C ATOM 766 C ASP A 48 6.598 5.821 -20.376 1.00 10.00 C ATOM 767 O ASP A 48 5.450 5.794 -20.829 1.00 10.00 O ATOM 768 CB ASP A 48 8.612 6.611 -21.774 1.00 10.00 C ATOM 769 CG ASP A 48 7.978 6.418 -23.153 1.00 10.00 C ATOM 770 OD1 ASP A 48 7.428 7.419 -23.665 1.00 10.00 O ATOM 771 OD2 ASP A 48 8.058 5.287 -23.679 1.00 10.00 O ATOM 0 H ASP A 48 7.908 8.573 -19.416 1.00 10.00 H new ATOM 0 HA ASP A 48 6.921 7.749 -21.177 1.00 10.00 H new ATOM 0 HB2 ASP A 48 9.371 7.392 -21.826 1.00 10.00 H new ATOM 0 HB3 ASP A 48 9.118 5.694 -21.472 1.00 10.00 H new ATOM 776 N GLU A 49 7.027 4.947 -19.461 1.00 10.00 N ATOM 777 CA GLU A 49 6.238 3.921 -18.789 1.00 10.00 C ATOM 778 C GLU A 49 5.958 4.308 -17.321 1.00 10.00 C ATOM 779 O GLU A 49 6.641 5.143 -16.720 1.00 10.00 O ATOM 780 CB GLU A 49 6.935 2.550 -18.901 1.00 10.00 C ATOM 781 CG GLU A 49 8.341 2.494 -18.282 1.00 10.00 C ATOM 782 CD GLU A 49 8.890 1.064 -18.299 1.00 10.00 C ATOM 783 OE1 GLU A 49 9.346 0.616 -19.372 1.00 10.00 O ATOM 784 OE2 GLU A 49 8.836 0.416 -17.226 1.00 10.00 O ATOM 0 H GLU A 49 7.999 4.940 -19.153 1.00 10.00 H new ATOM 0 HA GLU A 49 5.271 3.843 -19.286 1.00 10.00 H new ATOM 0 HB2 GLU A 49 6.310 1.799 -18.418 1.00 10.00 H new ATOM 0 HB3 GLU A 49 7.005 2.278 -19.954 1.00 10.00 H new ATOM 0 HG2 GLU A 49 9.012 3.152 -18.834 1.00 10.00 H new ATOM 0 HG3 GLU A 49 8.306 2.862 -17.257 1.00 10.00 H new ATOM 791 N LEU A 50 4.925 3.682 -16.752 1.00 10.00 N ATOM 792 CA LEU A 50 4.383 3.931 -15.415 1.00 10.00 C ATOM 793 C LEU A 50 5.037 2.978 -14.399 1.00 10.00 C ATOM 794 O LEU A 50 5.063 1.766 -14.627 1.00 10.00 O ATOM 795 CB LEU A 50 2.854 3.727 -15.508 1.00 10.00 C ATOM 796 CG LEU A 50 1.995 4.394 -14.414 1.00 10.00 C ATOM 797 CD1 LEU A 50 0.516 4.257 -14.796 1.00 10.00 C ATOM 798 CD2 LEU A 50 2.178 3.789 -13.021 1.00 10.00 C ATOM 0 H LEU A 50 4.416 2.946 -17.241 1.00 10.00 H new ATOM 0 HA LEU A 50 4.596 4.943 -15.071 1.00 10.00 H new ATOM 0 HB2 LEU A 50 2.520 4.100 -16.476 1.00 10.00 H new ATOM 0 HB3 LEU A 50 2.653 2.656 -15.492 1.00 10.00 H new ATOM 0 HG LEU A 50 2.321 5.433 -14.360 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -0.102 4.725 -14.030 1.00 10.00 H new ATOM 0 HD12 LEU A 50 0.341 4.747 -15.754 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.257 3.201 -14.876 1.00 10.00 H new ATOM 0 HD21 LEU A 50 1.540 4.313 -12.310 1.00 10.00 H new ATOM 0 HD22 LEU A 50 1.905 2.734 -13.044 1.00 10.00 H new ATOM 0 HD23 LEU A 50 3.220 3.888 -12.715 1.00 10.00 H new ATOM 810 N LYS A 51 5.554 3.505 -13.279 1.00 10.00 N ATOM 811 CA LYS A 51 6.071 2.694 -12.168 1.00 10.00 C ATOM 812 C LYS A 51 5.340 3.001 -10.858 1.00 10.00 C ATOM 813 O LYS A 51 5.038 4.157 -10.572 1.00 10.00 O ATOM 814 CB LYS A 51 7.587 2.925 -12.020 1.00 10.00 C ATOM 815 CG LYS A 51 8.345 1.689 -11.503 1.00 10.00 C ATOM 816 CD LYS A 51 8.292 0.450 -12.412 1.00 10.00 C ATOM 817 CE LYS A 51 8.614 0.790 -13.872 1.00 10.00 C ATOM 818 NZ LYS A 51 8.515 -0.398 -14.743 1.00 10.00 N ATOM 0 H LYS A 51 5.625 4.510 -13.118 1.00 10.00 H new ATOM 0 HA LYS A 51 5.891 1.643 -12.396 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.999 3.217 -12.986 1.00 10.00 H new ATOM 0 HB3 LYS A 51 7.755 3.758 -11.337 1.00 10.00 H new ATOM 0 HG2 LYS A 51 9.389 1.962 -11.352 1.00 10.00 H new ATOM 0 HG3 LYS A 51 7.941 1.419 -10.527 1.00 10.00 H new ATOM 0 HD2 LYS A 51 9.000 -0.295 -12.049 1.00 10.00 H new ATOM 0 HD3 LYS A 51 7.300 0.002 -12.355 1.00 10.00 H new ATOM 0 HE2 LYS A 51 7.928 1.559 -14.226 1.00 10.00 H new ATOM 0 HE3 LYS A 51 9.620 1.205 -13.936 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 8.367 -0.096 -15.727 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 9.394 -0.950 -14.679 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 7.714 -0.987 -14.437 1.00 10.00 H new ATOM 832 N VAL A 52 5.088 1.957 -10.065 1.00 10.00 N ATOM 833 CA VAL A 52 4.542 2.024 -8.704 1.00 10.00 C ATOM 834 C VAL A 52 5.361 1.051 -7.863 1.00 10.00 C ATOM 835 O VAL A 52 5.447 -0.129 -8.202 1.00 10.00 O ATOM 836 CB VAL A 52 3.047 1.632 -8.636 1.00 10.00 C ATOM 837 CG1 VAL A 52 2.506 1.766 -7.202 1.00 10.00 C ATOM 838 CG2 VAL A 52 2.158 2.492 -9.542 1.00 10.00 C ATOM 0 H VAL A 52 5.266 0.999 -10.366 1.00 10.00 H new ATOM 0 HA VAL A 52 4.605 3.050 -8.341 1.00 10.00 H new ATOM 0 HB VAL A 52 3.007 0.598 -8.977 1.00 10.00 H new ATOM 0 HG11 VAL A 52 1.453 1.484 -7.183 1.00 10.00 H new ATOM 0 HG12 VAL A 52 3.069 1.110 -6.538 1.00 10.00 H new ATOM 0 HG13 VAL A 52 2.612 2.798 -6.868 1.00 10.00 H new ATOM 0 HG21 VAL A 52 1.122 2.167 -9.449 1.00 10.00 H new ATOM 0 HG22 VAL A 52 2.239 3.538 -9.245 1.00 10.00 H new ATOM 0 HG23 VAL A 52 2.481 2.383 -10.577 1.00 10.00 H new ATOM 848 N ASP A 53 5.938 1.543 -6.771 1.00 10.00 N ATOM 849 CA ASP A 53 6.863 0.805 -5.921 1.00 10.00 C ATOM 850 C ASP A 53 6.444 1.012 -4.466 1.00 10.00 C ATOM 851 O ASP A 53 6.294 2.143 -3.998 1.00 10.00 O ATOM 852 CB ASP A 53 8.304 1.289 -6.157 1.00 10.00 C ATOM 853 CG ASP A 53 8.714 1.251 -7.632 1.00 10.00 C ATOM 854 OD1 ASP A 53 9.103 0.156 -8.096 1.00 10.00 O ATOM 855 OD2 ASP A 53 8.639 2.322 -8.275 1.00 10.00 O ATOM 0 H ASP A 53 5.769 2.494 -6.444 1.00 10.00 H new ATOM 0 HA ASP A 53 6.832 -0.258 -6.160 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.405 2.308 -5.784 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.989 0.669 -5.579 1.00 10.00 H new ATOM 860 N ILE A 54 6.233 -0.090 -3.745 1.00 10.00 N ATOM 861 CA ILE A 54 5.681 -0.064 -2.393 1.00 10.00 C ATOM 862 C ILE A 54 6.692 -0.713 -1.451 1.00 10.00 C ATOM 863 O ILE A 54 7.066 -1.873 -1.635 1.00 10.00 O ATOM 864 CB ILE A 54 4.316 -0.784 -2.356 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.303 -0.206 -3.373 1.00 10.00 C ATOM 866 CG2 ILE A 54 3.727 -0.724 -0.946 1.00 10.00 C ATOM 867 CD1 ILE A 54 1.908 -0.845 -3.296 1.00 10.00 C ATOM 0 H ILE A 54 6.442 -1.029 -4.085 1.00 10.00 H new ATOM 0 HA ILE A 54 5.505 0.963 -2.072 1.00 10.00 H new ATOM 0 HB ILE A 54 4.499 -1.820 -2.640 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.210 0.867 -3.207 1.00 10.00 H new ATOM 0 HG13 ILE A 54 3.698 -0.340 -4.380 1.00 10.00 H new ATOM 0 HG21 ILE A 54 2.764 -1.235 -0.932 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.407 -1.211 -0.247 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.590 0.317 -0.653 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.256 -0.386 -4.040 1.00 10.00 H new ATOM 0 HD12 ILE A 54 1.986 -1.914 -3.492 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.490 -0.688 -2.301 1.00 10.00 H new ATOM 879 N SER A 55 7.093 0.036 -0.419 1.00 10.00 N ATOM 880 CA SER A 55 7.991 -0.422 0.635 1.00 10.00 C ATOM 881 C SER A 55 7.296 -0.254 1.985 1.00 10.00 C ATOM 882 O SER A 55 6.867 0.847 2.331 1.00 10.00 O ATOM 883 CB SER A 55 9.286 0.393 0.578 1.00 10.00 C ATOM 884 OG SER A 55 10.222 -0.112 1.508 1.00 10.00 O ATOM 0 H SER A 55 6.792 1.002 -0.294 1.00 10.00 H new ATOM 0 HA SER A 55 8.239 -1.475 0.499 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.705 0.354 -0.428 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.075 1.440 0.795 1.00 10.00 H new ATOM 0 HG SER A 55 11.047 0.416 1.462 1.00 10.00 H new ATOM 890 N ALA A 56 7.155 -1.354 2.728 1.00 10.00 N ATOM 891 CA ALA A 56 6.559 -1.369 4.057 1.00 10.00 C ATOM 892 C ALA A 56 7.448 -2.136 5.038 1.00 10.00 C ATOM 893 O ALA A 56 7.967 -3.204 4.713 1.00 10.00 O ATOM 894 CB ALA A 56 5.155 -1.978 3.979 1.00 10.00 C ATOM 0 H ALA A 56 7.459 -2.275 2.412 1.00 10.00 H new ATOM 0 HA ALA A 56 6.474 -0.347 4.427 1.00 10.00 H new ATOM 0 HB1 ALA A 56 4.708 -1.990 4.973 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.536 -1.381 3.310 1.00 10.00 H new ATOM 0 HB3 ALA A 56 5.221 -2.997 3.599 1.00 10.00 H new ATOM 900 N GLU A 57 7.550 -1.605 6.252 1.00 10.00 N ATOM 901 CA GLU A 57 8.254 -2.175 7.391 1.00 10.00 C ATOM 902 C GLU A 57 7.326 -2.186 8.603 1.00 10.00 C ATOM 903 O GLU A 57 6.563 -1.246 8.846 1.00 10.00 O ATOM 904 CB GLU A 57 9.510 -1.347 7.702 1.00 10.00 C ATOM 905 CG GLU A 57 10.776 -1.889 7.037 1.00 10.00 C ATOM 906 CD GLU A 57 11.365 -3.089 7.786 1.00 10.00 C ATOM 907 OE1 GLU A 57 10.630 -4.081 7.991 1.00 10.00 O ATOM 908 OE2 GLU A 57 12.542 -2.957 8.210 1.00 10.00 O ATOM 0 H GLU A 57 7.116 -0.710 6.479 1.00 10.00 H new ATOM 0 HA GLU A 57 8.557 -3.195 7.155 1.00 10.00 H new ATOM 0 HB2 GLU A 57 9.349 -0.320 7.376 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.659 -1.319 8.781 1.00 10.00 H new ATOM 0 HG2 GLU A 57 10.547 -2.181 6.012 1.00 10.00 H new ATOM 0 HG3 GLU A 57 11.522 -1.096 6.984 1.00 10.00 H new ATOM 915 N LEU A 58 7.399 -3.290 9.345 1.00 10.00 N ATOM 916 CA LEU A 58 6.525 -3.621 10.461 1.00 10.00 C ATOM 917 C LEU A 58 7.405 -3.966 11.657 1.00 10.00 C ATOM 918 O LEU A 58 8.106 -4.978 11.637 1.00 10.00 O ATOM 919 CB LEU A 58 5.585 -4.744 9.975 1.00 10.00 C ATOM 920 CG LEU A 58 4.615 -5.442 10.948 1.00 10.00 C ATOM 921 CD1 LEU A 58 5.277 -6.541 11.781 1.00 10.00 C ATOM 922 CD2 LEU A 58 3.884 -4.474 11.875 1.00 10.00 C ATOM 0 H LEU A 58 8.102 -4.009 9.174 1.00 10.00 H new ATOM 0 HA LEU A 58 5.886 -2.804 10.795 1.00 10.00 H new ATOM 0 HB2 LEU A 58 4.983 -4.329 9.166 1.00 10.00 H new ATOM 0 HB3 LEU A 58 6.214 -5.520 9.539 1.00 10.00 H new ATOM 0 HG LEU A 58 3.879 -5.907 10.292 1.00 10.00 H new ATOM 0 HD11 LEU A 58 4.538 -6.990 12.444 1.00 10.00 H new ATOM 0 HD12 LEU A 58 5.682 -7.306 11.118 1.00 10.00 H new ATOM 0 HD13 LEU A 58 6.084 -6.111 12.375 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.218 -5.033 12.533 1.00 10.00 H new ATOM 0 HD22 LEU A 58 4.611 -3.926 12.475 1.00 10.00 H new ATOM 0 HD23 LEU A 58 3.301 -3.771 11.280 1.00 10.00 H new ATOM 934 N TYR A 59 7.374 -3.126 12.695 1.00 10.00 N ATOM 935 CA TYR A 59 8.237 -3.279 13.856 1.00 10.00 C ATOM 936 C TYR A 59 7.370 -3.605 15.069 1.00 10.00 C ATOM 937 O TYR A 59 6.692 -2.746 15.627 1.00 10.00 O ATOM 938 CB TYR A 59 9.117 -2.026 14.006 1.00 10.00 C ATOM 939 CG TYR A 59 10.023 -1.729 12.812 1.00 10.00 C ATOM 940 CD1 TYR A 59 10.748 -2.767 12.187 1.00 10.00 C ATOM 941 CD2 TYR A 59 10.152 -0.413 12.316 1.00 10.00 C ATOM 942 CE1 TYR A 59 11.605 -2.495 11.111 1.00 10.00 C ATOM 943 CE2 TYR A 59 11.026 -0.132 11.248 1.00 10.00 C ATOM 944 CZ TYR A 59 11.763 -1.173 10.647 1.00 10.00 C ATOM 945 OH TYR A 59 12.575 -0.929 9.584 1.00 10.00 O ATOM 0 H TYR A 59 6.748 -2.323 12.749 1.00 10.00 H new ATOM 0 HA TYR A 59 8.932 -4.111 13.745 1.00 10.00 H new ATOM 0 HB2 TYR A 59 8.471 -1.165 14.176 1.00 10.00 H new ATOM 0 HB3 TYR A 59 9.738 -2.140 14.895 1.00 10.00 H new ATOM 0 HD1 TYR A 59 10.641 -3.782 12.542 1.00 10.00 H new ATOM 0 HD2 TYR A 59 9.575 0.385 12.760 1.00 10.00 H new ATOM 0 HE1 TYR A 59 12.146 -3.300 10.636 1.00 10.00 H new ATOM 0 HE2 TYR A 59 11.132 0.881 10.889 1.00 10.00 H new ATOM 0 HH TYR A 59 12.909 -1.778 9.226 1.00 10.00 H new ATOM 955 N LEU A 60 7.378 -4.888 15.441 1.00 10.00 N ATOM 956 CA LEU A 60 6.699 -5.451 16.606 1.00 10.00 C ATOM 957 C LEU A 60 7.556 -5.320 17.870 1.00 10.00 C ATOM 958 O LEU A 60 8.783 -5.280 17.793 1.00 10.00 O ATOM 959 CB LEU A 60 6.366 -6.928 16.323 1.00 10.00 C ATOM 960 CG LEU A 60 5.110 -7.120 15.454 1.00 10.00 C ATOM 961 CD1 LEU A 60 5.019 -8.565 14.959 1.00 10.00 C ATOM 962 CD2 LEU A 60 3.824 -6.806 16.219 1.00 10.00 C ATOM 0 H LEU A 60 7.885 -5.596 14.909 1.00 10.00 H new ATOM 0 HA LEU A 60 5.779 -4.895 16.784 1.00 10.00 H new ATOM 0 HB2 LEU A 60 7.216 -7.395 15.826 1.00 10.00 H new ATOM 0 HB3 LEU A 60 6.225 -7.448 17.270 1.00 10.00 H new ATOM 0 HG LEU A 60 5.205 -6.427 14.618 1.00 10.00 H new ATOM 0 HD11 LEU A 60 4.126 -8.684 14.346 1.00 10.00 H new ATOM 0 HD12 LEU A 60 5.901 -8.802 14.364 1.00 10.00 H new ATOM 0 HD13 LEU A 60 4.965 -9.240 15.813 1.00 10.00 H new ATOM 0 HD21 LEU A 60 2.965 -6.956 15.564 1.00 10.00 H new ATOM 0 HD22 LEU A 60 3.743 -7.468 17.081 1.00 10.00 H new ATOM 0 HD23 LEU A 60 3.846 -5.770 16.557 1.00 10.00 H new ATOM 974 N ASP A 61 6.898 -5.243 19.031 1.00 10.00 N ATOM 975 CA ASP A 61 7.583 -5.298 20.329 1.00 10.00 C ATOM 976 C ASP A 61 8.400 -6.591 20.521 1.00 10.00 C ATOM 977 O ASP A 61 8.005 -7.659 20.047 1.00 10.00 O ATOM 978 CB ASP A 61 6.585 -5.081 21.479 1.00 10.00 C ATOM 979 CG ASP A 61 7.284 -4.907 22.836 1.00 10.00 C ATOM 980 OD1 ASP A 61 8.449 -4.442 22.833 1.00 10.00 O ATOM 981 OD2 ASP A 61 6.651 -5.251 23.857 1.00 10.00 O ATOM 0 H ASP A 61 5.885 -5.142 19.099 1.00 10.00 H new ATOM 0 HA ASP A 61 8.306 -4.482 20.343 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.980 -4.199 21.270 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.904 -5.930 21.530 1.00 10.00 H new ATOM 986 N GLU A 62 9.521 -6.485 21.251 1.00 10.00 N ATOM 987 CA GLU A 62 10.496 -7.540 21.612 1.00 10.00 C ATOM 988 C GLU A 62 9.911 -8.584 22.600 1.00 10.00 C ATOM 989 O GLU A 62 10.538 -8.995 23.577 1.00 10.00 O ATOM 990 CB GLU A 62 11.766 -6.863 22.176 1.00 10.00 C ATOM 991 CG GLU A 62 12.582 -6.082 21.131 1.00 10.00 C ATOM 992 CD GLU A 62 13.511 -6.996 20.319 1.00 10.00 C ATOM 993 OE1 GLU A 62 12.987 -7.908 19.641 1.00 10.00 O ATOM 994 OE2 GLU A 62 14.743 -6.781 20.395 1.00 10.00 O ATOM 0 H GLU A 62 9.797 -5.584 21.640 1.00 10.00 H new ATOM 0 HA GLU A 62 10.749 -8.105 20.715 1.00 10.00 H new ATOM 0 HB2 GLU A 62 11.476 -6.183 22.977 1.00 10.00 H new ATOM 0 HB3 GLU A 62 12.404 -7.626 22.622 1.00 10.00 H new ATOM 0 HG2 GLU A 62 11.902 -5.565 20.454 1.00 10.00 H new ATOM 0 HG3 GLU A 62 13.175 -5.318 21.633 1.00 10.00 H new ATOM 1001 N LEU A 63 8.657 -8.961 22.354 1.00 10.00 N ATOM 1002 CA LEU A 63 7.759 -9.754 23.193 1.00 10.00 C ATOM 1003 C LEU A 63 6.612 -10.356 22.358 1.00 10.00 C ATOM 1004 O LEU A 63 6.154 -11.457 22.661 1.00 10.00 O ATOM 1005 CB LEU A 63 7.234 -8.816 24.302 1.00 10.00 C ATOM 1006 CG LEU A 63 6.285 -9.458 25.336 1.00 10.00 C ATOM 1007 CD1 LEU A 63 6.444 -8.756 26.689 1.00 10.00 C ATOM 1008 CD2 LEU A 63 4.807 -9.337 24.940 1.00 10.00 C ATOM 0 H LEU A 63 8.202 -8.694 21.481 1.00 10.00 H new ATOM 0 HA LEU A 63 8.283 -10.601 23.636 1.00 10.00 H new ATOM 0 HB2 LEU A 63 8.090 -8.399 24.833 1.00 10.00 H new ATOM 0 HB3 LEU A 63 6.715 -7.982 23.830 1.00 10.00 H new ATOM 0 HG LEU A 63 6.555 -10.513 25.386 1.00 10.00 H new ATOM 0 HD11 LEU A 63 5.772 -9.212 27.417 1.00 10.00 H new ATOM 0 HD12 LEU A 63 7.474 -8.857 27.032 1.00 10.00 H new ATOM 0 HD13 LEU A 63 6.199 -7.699 26.582 1.00 10.00 H new ATOM 0 HD21 LEU A 63 4.186 -9.806 25.704 1.00 10.00 H new ATOM 0 HD22 LEU A 63 4.539 -8.284 24.851 1.00 10.00 H new ATOM 0 HD23 LEU A 63 4.644 -9.835 23.984 1.00 10.00 H new ATOM 1020 N SER A 64 6.160 -9.647 21.314 1.00 10.00 N ATOM 1021 CA SER A 64 5.173 -10.104 20.332 1.00 10.00 C ATOM 1022 C SER A 64 5.693 -11.291 19.496 1.00 10.00 C ATOM 1023 O SER A 64 6.896 -11.525 19.405 1.00 10.00 O ATOM 1024 CB SER A 64 4.828 -8.920 19.416 1.00 10.00 C ATOM 1025 OG SER A 64 4.320 -7.825 20.165 1.00 10.00 O ATOM 0 H SER A 64 6.488 -8.700 21.125 1.00 10.00 H new ATOM 0 HA SER A 64 4.287 -10.457 20.860 1.00 10.00 H new ATOM 0 HB2 SER A 64 5.718 -8.609 18.868 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.091 -9.232 18.676 1.00 10.00 H new ATOM 0 HG SER A 64 4.263 -7.034 19.590 1.00 10.00 H new ATOM 1031 N ASP A 65 4.783 -12.022 18.841 1.00 10.00 N ATOM 1032 CA ASP A 65 5.062 -13.202 18.035 1.00 10.00 C ATOM 1033 C ASP A 65 3.915 -13.332 17.024 1.00 10.00 C ATOM 1034 O ASP A 65 2.747 -13.449 17.394 1.00 10.00 O ATOM 1035 CB ASP A 65 5.184 -14.452 18.927 1.00 10.00 C ATOM 1036 CG ASP A 65 5.588 -15.703 18.138 1.00 10.00 C ATOM 1037 OD1 ASP A 65 6.289 -15.539 17.115 1.00 10.00 O ATOM 1038 OD2 ASP A 65 5.209 -16.810 18.581 1.00 10.00 O ATOM 0 H ASP A 65 3.790 -11.791 18.864 1.00 10.00 H new ATOM 0 HA ASP A 65 6.013 -13.107 17.511 1.00 10.00 H new ATOM 0 HB2 ASP A 65 5.921 -14.266 19.708 1.00 10.00 H new ATOM 0 HB3 ASP A 65 4.231 -14.633 19.425 1.00 10.00 H new ATOM 1043 N ALA A 66 4.267 -13.212 15.749 1.00 10.00 N ATOM 1044 CA ALA A 66 3.370 -13.160 14.596 1.00 10.00 C ATOM 1045 C ALA A 66 3.894 -14.007 13.414 1.00 10.00 C ATOM 1046 O ALA A 66 4.950 -14.633 13.504 1.00 10.00 O ATOM 1047 CB ALA A 66 3.167 -11.685 14.223 1.00 10.00 C ATOM 0 H ALA A 66 5.247 -13.144 15.474 1.00 10.00 H new ATOM 0 HA ALA A 66 2.408 -13.603 14.853 1.00 10.00 H new ATOM 0 HB1 ALA A 66 2.500 -11.615 13.364 1.00 10.00 H new ATOM 0 HB2 ALA A 66 2.728 -11.153 15.067 1.00 10.00 H new ATOM 0 HB3 ALA A 66 4.129 -11.237 13.973 1.00 10.00 H new ATOM 1053 N ASP A 67 3.200 -13.989 12.270 1.00 10.00 N ATOM 1054 CA ASP A 67 3.445 -14.958 11.199 1.00 10.00 C ATOM 1055 C ASP A 67 4.592 -14.538 10.249 1.00 10.00 C ATOM 1056 O ASP A 67 4.728 -13.351 9.926 1.00 10.00 O ATOM 1057 CB ASP A 67 2.155 -15.102 10.372 1.00 10.00 C ATOM 1058 CG ASP A 67 0.945 -15.463 11.236 1.00 10.00 C ATOM 1059 OD1 ASP A 67 0.437 -14.536 11.909 1.00 10.00 O ATOM 1060 OD2 ASP A 67 0.568 -16.655 11.230 1.00 10.00 O ATOM 0 H ASP A 67 2.464 -13.313 12.063 1.00 10.00 H new ATOM 0 HA ASP A 67 3.740 -15.896 11.669 1.00 10.00 H new ATOM 0 HB2 ASP A 67 1.957 -14.168 9.847 1.00 10.00 H new ATOM 0 HB3 ASP A 67 2.298 -15.870 9.612 1.00 10.00 H new ATOM 1065 N PRO A 68 5.403 -15.505 9.751 1.00 10.00 N ATOM 1066 CA PRO A 68 6.614 -15.289 8.938 1.00 10.00 C ATOM 1067 C PRO A 68 6.304 -14.878 7.481 1.00 10.00 C ATOM 1068 O PRO A 68 6.781 -15.469 6.515 1.00 10.00 O ATOM 1069 CB PRO A 68 7.407 -16.598 9.058 1.00 10.00 C ATOM 1070 CG PRO A 68 6.306 -17.647 9.168 1.00 10.00 C ATOM 1071 CD PRO A 68 5.265 -16.932 10.027 1.00 10.00 C ATOM 0 HA PRO A 68 7.198 -14.442 9.300 1.00 10.00 H new ATOM 0 HB2 PRO A 68 8.043 -16.768 8.189 1.00 10.00 H new ATOM 0 HB3 PRO A 68 8.057 -16.599 9.933 1.00 10.00 H new ATOM 0 HG2 PRO A 68 5.908 -17.924 8.192 1.00 10.00 H new ATOM 0 HG3 PRO A 68 6.662 -18.564 9.638 1.00 10.00 H new ATOM 0 HD2 PRO A 68 4.260 -17.278 9.785 1.00 10.00 H new ATOM 0 HD3 PRO A 68 5.427 -17.139 11.085 1.00 10.00 H new ATOM 1079 N GLY A 69 5.465 -13.854 7.352 1.00 10.00 N ATOM 1080 CA GLY A 69 4.950 -13.280 6.108 1.00 10.00 C ATOM 1081 C GLY A 69 3.955 -12.126 6.307 1.00 10.00 C ATOM 1082 O GLY A 69 3.535 -11.523 5.324 1.00 10.00 O ATOM 0 H GLY A 69 5.100 -13.368 8.171 1.00 10.00 H new ATOM 0 HA2 GLY A 69 5.790 -12.921 5.512 1.00 10.00 H new ATOM 0 HA3 GLY A 69 4.464 -14.068 5.532 1.00 10.00 H new ATOM 1086 N ILE A 70 3.592 -11.781 7.554 1.00 10.00 N ATOM 1087 CA ILE A 70 2.508 -10.854 7.893 1.00 10.00 C ATOM 1088 C ILE A 70 2.641 -9.442 7.291 1.00 10.00 C ATOM 1089 O ILE A 70 1.639 -8.764 7.071 1.00 10.00 O ATOM 1090 CB ILE A 70 2.379 -10.855 9.434 1.00 10.00 C ATOM 1091 CG1 ILE A 70 0.926 -10.594 9.833 1.00 10.00 C ATOM 1092 CG2 ILE A 70 3.359 -9.894 10.139 1.00 10.00 C ATOM 1093 CD1 ILE A 70 0.657 -10.916 11.306 1.00 10.00 C ATOM 0 H ILE A 70 4.063 -12.154 8.378 1.00 10.00 H new ATOM 0 HA ILE A 70 1.587 -11.206 7.428 1.00 10.00 H new ATOM 0 HB ILE A 70 2.668 -11.847 9.782 1.00 10.00 H new ATOM 0 HG12 ILE A 70 0.682 -9.549 9.642 1.00 10.00 H new ATOM 0 HG13 ILE A 70 0.267 -11.195 9.207 1.00 10.00 H new ATOM 0 HG21 ILE A 70 3.210 -9.949 11.217 1.00 10.00 H new ATOM 0 HG22 ILE A 70 4.383 -10.179 9.899 1.00 10.00 H new ATOM 0 HG23 ILE A 70 3.177 -8.875 9.799 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -0.389 -10.713 11.538 1.00 10.00 H new ATOM 0 HD12 ILE A 70 0.873 -11.968 11.494 1.00 10.00 H new ATOM 0 HD13 ILE A 70 1.295 -10.296 11.936 1.00 10.00 H new ATOM 1105 N VAL A 71 3.876 -9.013 7.000 1.00 10.00 N ATOM 1106 CA VAL A 71 4.190 -7.752 6.311 1.00 10.00 C ATOM 1107 C VAL A 71 4.001 -7.907 4.806 1.00 10.00 C ATOM 1108 O VAL A 71 3.295 -7.117 4.187 1.00 10.00 O ATOM 1109 CB VAL A 71 5.650 -7.305 6.546 1.00 10.00 C ATOM 1110 CG1 VAL A 71 5.761 -5.785 6.393 1.00 10.00 C ATOM 1111 CG2 VAL A 71 6.221 -7.771 7.889 1.00 10.00 C ATOM 0 H VAL A 71 4.709 -9.548 7.244 1.00 10.00 H new ATOM 0 HA VAL A 71 3.511 -7.004 6.720 1.00 10.00 H new ATOM 0 HB VAL A 71 6.259 -7.791 5.784 1.00 10.00 H new ATOM 0 HG11 VAL A 71 6.793 -5.477 6.560 1.00 10.00 H new ATOM 0 HG12 VAL A 71 5.455 -5.497 5.387 1.00 10.00 H new ATOM 0 HG13 VAL A 71 5.114 -5.298 7.123 1.00 10.00 H new ATOM 0 HG21 VAL A 71 7.249 -7.422 7.988 1.00 10.00 H new ATOM 0 HG22 VAL A 71 5.620 -7.363 8.701 1.00 10.00 H new ATOM 0 HG23 VAL A 71 6.201 -8.860 7.935 1.00 10.00 H new ATOM 1121 N ASP A 72 4.617 -8.951 4.239 1.00 10.00 N ATOM 1122 CA ASP A 72 4.538 -9.323 2.823 1.00 10.00 C ATOM 1123 C ASP A 72 3.083 -9.485 2.364 1.00 10.00 C ATOM 1124 O ASP A 72 2.726 -8.997 1.291 1.00 10.00 O ATOM 1125 CB ASP A 72 5.369 -10.590 2.578 1.00 10.00 C ATOM 1126 CG ASP A 72 5.562 -10.866 1.085 1.00 10.00 C ATOM 1127 OD1 ASP A 72 6.182 -10.001 0.426 1.00 10.00 O ATOM 1128 OD2 ASP A 72 5.114 -11.943 0.635 1.00 10.00 O ATOM 0 H ASP A 72 5.208 -9.585 4.777 1.00 10.00 H new ATOM 0 HA ASP A 72 4.958 -8.518 2.220 1.00 10.00 H new ATOM 0 HB2 ASP A 72 6.343 -10.484 3.056 1.00 10.00 H new ATOM 0 HB3 ASP A 72 4.876 -11.443 3.044 1.00 10.00 H new ATOM 1133 N GLU A 73 2.216 -10.008 3.249 1.00 10.00 N ATOM 1134 CA GLU A 73 0.782 -10.123 2.982 1.00 10.00 C ATOM 1135 C GLU A 73 0.155 -8.731 2.809 1.00 10.00 C ATOM 1136 O GLU A 73 -0.724 -8.571 1.966 1.00 10.00 O ATOM 1137 CB GLU A 73 0.041 -10.725 4.193 1.00 10.00 C ATOM 1138 CG GLU A 73 0.159 -12.206 4.556 1.00 10.00 C ATOM 1139 CD GLU A 73 -0.588 -12.487 5.882 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -1.754 -12.037 6.047 1.00 10.00 O ATOM 1141 OE2 GLU A 73 0.011 -13.149 6.755 1.00 10.00 O ATOM 0 H GLU A 73 2.494 -10.360 4.165 1.00 10.00 H new ATOM 0 HA GLU A 73 0.687 -10.743 2.090 1.00 10.00 H new ATOM 0 HB2 GLU A 73 0.358 -10.160 5.069 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -1.020 -10.520 4.047 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -0.258 -12.819 3.757 1.00 10.00 H new ATOM 0 HG3 GLU A 73 1.209 -12.482 4.655 1.00 10.00 H new ATOM 1148 N ALA A 74 0.602 -7.716 3.564 1.00 10.00 N ATOM 1149 CA ALA A 74 0.044 -6.370 3.460 1.00 10.00 C ATOM 1150 C ALA A 74 0.444 -5.702 2.145 1.00 10.00 C ATOM 1151 O ALA A 74 -0.389 -5.063 1.498 1.00 10.00 O ATOM 1152 CB ALA A 74 0.511 -5.524 4.649 1.00 10.00 C ATOM 0 H ALA A 74 1.349 -7.808 4.252 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.043 -6.448 3.475 1.00 10.00 H new ATOM 0 HB1 ALA A 74 0.093 -4.521 4.568 1.00 10.00 H new ATOM 0 HB2 ALA A 74 0.173 -5.984 5.578 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.599 -5.465 4.648 1.00 10.00 H new ATOM 1158 N VAL A 75 1.710 -5.866 1.739 1.00 10.00 N ATOM 1159 CA VAL A 75 2.219 -5.266 0.506 1.00 10.00 C ATOM 1160 C VAL A 75 1.582 -5.944 -0.711 1.00 10.00 C ATOM 1161 O VAL A 75 1.046 -5.252 -1.571 1.00 10.00 O ATOM 1162 CB VAL A 75 3.760 -5.289 0.431 1.00 10.00 C ATOM 1163 CG1 VAL A 75 4.229 -4.091 -0.396 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.453 -5.161 1.795 1.00 10.00 C ATOM 0 H VAL A 75 2.401 -6.413 2.252 1.00 10.00 H new ATOM 0 HA VAL A 75 1.934 -4.214 0.506 1.00 10.00 H new ATOM 0 HB VAL A 75 4.023 -6.254 -0.003 1.00 10.00 H new ATOM 0 HG11 VAL A 75 5.317 -4.095 -0.457 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.809 -4.155 -1.400 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.896 -3.168 0.079 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.534 -5.186 1.658 1.00 10.00 H new ATOM 0 HG22 VAL A 75 4.168 -4.218 2.261 1.00 10.00 H new ATOM 0 HG23 VAL A 75 4.150 -5.989 2.436 1.00 10.00 H new ATOM 1174 N ASP A 76 1.521 -7.282 -0.733 1.00 10.00 N ATOM 1175 CA ASP A 76 0.806 -8.078 -1.737 1.00 10.00 C ATOM 1176 C ASP A 76 -0.690 -7.732 -1.782 1.00 10.00 C ATOM 1177 O ASP A 76 -1.237 -7.553 -2.870 1.00 10.00 O ATOM 1178 CB ASP A 76 1.005 -9.567 -1.395 1.00 10.00 C ATOM 1179 CG ASP A 76 0.049 -10.493 -2.149 1.00 10.00 C ATOM 1180 OD1 ASP A 76 0.023 -10.466 -3.398 1.00 10.00 O ATOM 1181 OD2 ASP A 76 -0.726 -11.214 -1.483 1.00 10.00 O ATOM 0 H ASP A 76 1.983 -7.858 -0.029 1.00 10.00 H new ATOM 0 HA ASP A 76 1.209 -7.854 -2.725 1.00 10.00 H new ATOM 0 HB2 ASP A 76 2.032 -9.851 -1.624 1.00 10.00 H new ATOM 0 HB3 ASP A 76 0.867 -9.708 -0.323 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.345 -7.560 -0.627 1.00 10.00 N ATOM 1187 CA ALA A 77 -2.744 -7.145 -0.588 1.00 10.00 C ATOM 1188 C ALA A 77 -2.921 -5.747 -1.186 1.00 10.00 C ATOM 1189 O ALA A 77 -3.856 -5.541 -1.958 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.269 -7.208 0.846 1.00 10.00 C ATOM 0 H ALA A 77 -0.924 -7.703 0.291 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.329 -7.833 -1.198 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.313 -6.897 0.865 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.188 -8.229 1.219 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.681 -6.543 1.478 1.00 10.00 H new ATOM 1196 N ALA A 78 -2.010 -4.806 -0.897 1.00 10.00 N ATOM 1197 CA ALA A 78 -2.007 -3.505 -1.554 1.00 10.00 C ATOM 1198 C ALA A 78 -1.753 -3.619 -3.063 1.00 10.00 C ATOM 1199 O ALA A 78 -2.510 -3.019 -3.826 1.00 10.00 O ATOM 1200 CB ALA A 78 -1.011 -2.568 -0.858 1.00 10.00 C ATOM 0 H ALA A 78 -1.267 -4.929 -0.209 1.00 10.00 H new ATOM 0 HA ALA A 78 -3.001 -3.069 -1.457 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -1.015 -1.598 -1.355 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.299 -2.442 0.186 1.00 10.00 H new ATOM 0 HB3 ALA A 78 -0.011 -2.998 -0.909 1.00 10.00 H new ATOM 1206 N TYR A 79 -0.782 -4.425 -3.520 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.519 -4.561 -4.955 1.00 10.00 C ATOM 1208 C TYR A 79 -1.697 -5.211 -5.698 1.00 10.00 C ATOM 1209 O TYR A 79 -2.158 -4.658 -6.696 1.00 10.00 O ATOM 1210 CB TYR A 79 0.723 -5.452 -5.168 1.00 10.00 C ATOM 1211 CG TYR A 79 2.078 -4.825 -4.888 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.522 -3.763 -5.702 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.933 -5.356 -3.896 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.805 -3.212 -5.521 1.00 10.00 C ATOM 1215 CE2 TYR A 79 4.227 -4.817 -3.727 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.661 -3.734 -4.528 1.00 10.00 C ATOM 1217 OH TYR A 79 5.885 -3.164 -4.335 1.00 10.00 O ATOM 0 H TYR A 79 -0.174 -4.985 -2.922 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.363 -3.557 -5.351 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.620 -6.333 -4.535 1.00 10.00 H new ATOM 0 HB3 TYR A 79 0.718 -5.799 -6.201 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.873 -3.369 -6.470 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.598 -6.170 -3.270 1.00 10.00 H new ATOM 0 HE1 TYR A 79 4.133 -2.391 -6.141 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.889 -5.233 -2.982 1.00 10.00 H new ATOM 0 HH TYR A 79 6.355 -3.635 -3.616 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.293 -6.280 -5.148 1.00 10.00 N ATOM 1228 CA ARG A 80 -3.450 -6.940 -5.765 1.00 10.00 C ATOM 1229 C ARG A 80 -4.740 -6.126 -5.650 1.00 10.00 C ATOM 1230 O ARG A 80 -5.528 -6.099 -6.599 1.00 10.00 O ATOM 1231 CB ARG A 80 -3.568 -8.399 -5.292 1.00 10.00 C ATOM 1232 CG ARG A 80 -2.401 -9.220 -5.882 1.00 10.00 C ATOM 1233 CD ARG A 80 -2.596 -10.736 -5.787 1.00 10.00 C ATOM 1234 NE ARG A 80 -2.365 -11.248 -4.426 1.00 10.00 N ATOM 1235 CZ ARG A 80 -3.027 -12.213 -3.804 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -4.040 -12.838 -4.361 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -2.680 -12.587 -2.600 1.00 10.00 N ATOM 0 H ARG A 80 -1.989 -6.706 -4.272 1.00 10.00 H new ATOM 0 HA ARG A 80 -3.274 -6.985 -6.840 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -3.546 -8.444 -4.203 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -4.522 -8.821 -5.609 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -2.270 -8.946 -6.929 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -1.481 -8.949 -5.364 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -3.609 -10.990 -6.100 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -1.915 -11.231 -6.479 1.00 10.00 H new ATOM 0 HE ARG A 80 -1.608 -10.809 -3.901 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -4.340 -12.585 -5.302 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -4.526 -13.576 -3.852 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -1.894 -12.135 -2.132 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -3.195 -13.331 -2.129 1.00 10.00 H new ATOM 1251 N SER A 81 -4.943 -5.400 -4.541 1.00 10.00 N ATOM 1252 CA SER A 81 -6.054 -4.451 -4.438 1.00 10.00 C ATOM 1253 C SER A 81 -5.882 -3.267 -5.389 1.00 10.00 C ATOM 1254 O SER A 81 -6.893 -2.762 -5.871 1.00 10.00 O ATOM 1255 CB SER A 81 -6.230 -3.930 -3.010 1.00 10.00 C ATOM 1256 OG SER A 81 -7.423 -3.171 -2.944 1.00 10.00 O ATOM 0 H SER A 81 -4.355 -5.453 -3.709 1.00 10.00 H new ATOM 0 HA SER A 81 -6.949 -5.004 -4.723 1.00 10.00 H new ATOM 0 HB2 SER A 81 -6.273 -4.762 -2.307 1.00 10.00 H new ATOM 0 HB3 SER A 81 -5.376 -3.316 -2.725 1.00 10.00 H new ATOM 0 HG SER A 81 -7.546 -2.834 -2.032 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.648 -2.826 -5.670 1.00 10.00 N ATOM 1263 CA LEU A 82 -4.371 -1.819 -6.694 1.00 10.00 C ATOM 1264 C LEU A 82 -4.669 -2.370 -8.085 1.00 10.00 C ATOM 1265 O LEU A 82 -5.359 -1.699 -8.847 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.915 -1.339 -6.561 1.00 10.00 C ATOM 1267 CG LEU A 82 -2.478 -0.095 -7.366 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -2.211 -0.382 -8.847 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -3.466 1.070 -7.252 1.00 10.00 C ATOM 0 H LEU A 82 -3.813 -3.161 -5.189 1.00 10.00 H new ATOM 0 HA LEU A 82 -5.025 -0.959 -6.548 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.727 -1.136 -5.507 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -2.265 -2.166 -6.847 1.00 10.00 H new ATOM 0 HG LEU A 82 -1.535 0.195 -6.902 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -1.909 0.538 -9.347 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -1.416 -1.122 -8.937 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -3.118 -0.767 -9.312 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -3.103 1.914 -7.839 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -4.441 0.759 -7.628 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -3.558 1.368 -6.208 1.00 10.00 H new ATOM 1281 N GLU A 83 -4.221 -3.592 -8.403 1.00 10.00 N ATOM 1282 CA GLU A 83 -4.485 -4.212 -9.706 1.00 10.00 C ATOM 1283 C GLU A 83 -5.988 -4.350 -9.980 1.00 10.00 C ATOM 1284 O GLU A 83 -6.421 -4.002 -11.079 1.00 10.00 O ATOM 1285 CB GLU A 83 -3.815 -5.594 -9.782 1.00 10.00 C ATOM 1286 CG GLU A 83 -2.294 -5.510 -9.961 1.00 10.00 C ATOM 1287 CD GLU A 83 -1.655 -6.894 -9.801 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -1.427 -7.294 -8.637 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -1.420 -7.545 -10.843 1.00 10.00 O ATOM 0 H GLU A 83 -3.671 -4.173 -7.770 1.00 10.00 H new ATOM 0 HA GLU A 83 -4.064 -3.558 -10.469 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -4.039 -6.151 -8.872 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -4.243 -6.155 -10.613 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -2.060 -5.107 -10.946 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -1.873 -4.822 -9.227 1.00 10.00 H new ATOM 1296 N SER A 84 -6.805 -4.736 -8.986 1.00 10.00 N ATOM 1297 CA SER A 84 -8.260 -4.775 -9.184 1.00 10.00 C ATOM 1298 C SER A 84 -8.917 -3.391 -9.088 1.00 10.00 C ATOM 1299 O SER A 84 -9.831 -3.096 -9.851 1.00 10.00 O ATOM 1300 CB SER A 84 -8.929 -5.790 -8.258 1.00 10.00 C ATOM 1301 OG SER A 84 -10.306 -5.914 -8.569 1.00 10.00 O ATOM 0 H SER A 84 -6.491 -5.019 -8.058 1.00 10.00 H new ATOM 0 HA SER A 84 -8.419 -5.112 -10.208 1.00 10.00 H new ATOM 0 HB2 SER A 84 -8.439 -6.759 -8.356 1.00 10.00 H new ATOM 0 HB3 SER A 84 -8.811 -5.477 -7.220 1.00 10.00 H new ATOM 0 HG SER A 84 -10.719 -6.569 -7.968 1.00 10.00 H new ATOM 1307 N PHE A 85 -8.417 -2.464 -8.263 1.00 10.00 N ATOM 1308 CA PHE A 85 -8.886 -1.076 -8.326 1.00 10.00 C ATOM 1309 C PHE A 85 -8.654 -0.467 -9.720 1.00 10.00 C ATOM 1310 O PHE A 85 -9.532 0.214 -10.251 1.00 10.00 O ATOM 1311 CB PHE A 85 -8.204 -0.251 -7.233 1.00 10.00 C ATOM 1312 CG PHE A 85 -8.532 1.226 -7.281 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -9.846 1.662 -7.039 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -7.527 2.162 -7.588 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -10.141 3.037 -7.033 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -7.823 3.535 -7.599 1.00 10.00 C ATOM 1317 CZ PHE A 85 -9.125 3.974 -7.297 1.00 10.00 C ATOM 0 H PHE A 85 -7.702 -2.644 -7.558 1.00 10.00 H new ATOM 0 HA PHE A 85 -9.962 -1.063 -8.152 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -8.495 -0.646 -6.259 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -7.125 -0.376 -7.318 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -10.629 0.941 -6.858 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -6.527 1.824 -7.815 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -11.146 3.373 -6.826 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -7.052 4.253 -7.839 1.00 10.00 H new ATOM 0 HZ PHE A 85 -9.345 5.031 -7.268 1.00 10.00 H new ATOM 1327 N LEU A 86 -7.513 -0.775 -10.351 1.00 10.00 N ATOM 1328 CA LEU A 86 -7.252 -0.426 -11.741 1.00 10.00 C ATOM 1329 C LEU A 86 -8.067 -1.239 -12.751 1.00 10.00 C ATOM 1330 O LEU A 86 -8.275 -0.715 -13.842 1.00 10.00 O ATOM 1331 CB LEU A 86 -5.747 -0.490 -12.063 1.00 10.00 C ATOM 1332 CG LEU A 86 -5.208 0.880 -12.507 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -5.200 1.917 -11.376 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -3.789 0.733 -13.059 1.00 10.00 C ATOM 0 H LEU A 86 -6.745 -1.276 -9.903 1.00 10.00 H new ATOM 0 HA LEU A 86 -7.589 0.605 -11.850 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -5.200 -0.830 -11.184 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -5.573 -1.223 -12.850 1.00 10.00 H new ATOM 0 HG LEU A 86 -5.885 1.242 -13.280 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -4.809 2.862 -11.752 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -6.216 2.064 -11.010 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -4.569 1.562 -10.561 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -3.417 1.709 -13.371 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -3.138 0.326 -12.285 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -3.800 0.059 -13.915 1.00 10.00 H new