USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 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 23 TYR OH : rot 180:sc= 1.09 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 176:sc= 1.27 (180deg=0.000947) USER MOD Single : A 7 SER OG : rot 38:sc= 0.126 USER MOD Single : A 9 SER OG : rot 150:sc= 0.157 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -27:sc= 0.362 USER MOD Single : A 15 TYR OH : rot 36:sc= 1.27 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0938 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 29 SER OG : rot 83:sc= 1.17 USER MOD Single : A 30 MET CE :methyl 161:sc= -0.182 (180deg=-0.814) USER MOD Single : A 51 GLN : amide:sc= -0.408 K(o=-0.41,f=-2.8) USER MOD Single : A 54 THR OG1 : rot -77:sc= 0.409 USER MOD Single : A 56 GLN : amide:sc= -0.591 X(o=-0.59,f=-0.49) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -20:sc= 0.527 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 12.241 -7.760 -7.220 1.00 0.00 N ATOM 89 CA SER A 7 13.186 -7.866 -6.139 1.00 0.00 C ATOM 90 C SER A 7 12.491 -8.356 -4.868 1.00 0.00 C ATOM 91 O SER A 7 13.047 -9.148 -4.106 1.00 0.00 O ATOM 92 CB SER A 7 13.817 -6.500 -5.912 1.00 0.00 C ATOM 93 OG SER A 7 14.431 -6.019 -7.096 1.00 0.00 O ATOM 0 HA SER A 7 13.960 -8.590 -6.394 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.055 -5.794 -5.581 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.558 -6.566 -5.115 1.00 0.00 H new ATOM 0 HG SER A 7 13.880 -6.258 -7.871 1.00 0.00 H new ATOM 99 N ARG A 8 11.263 -7.886 -4.659 1.00 0.00 N ATOM 100 CA ARG A 8 10.491 -8.237 -3.474 1.00 0.00 C ATOM 101 C ARG A 8 9.000 -8.110 -3.724 1.00 0.00 C ATOM 102 O ARG A 8 8.561 -7.379 -4.616 1.00 0.00 O ATOM 103 CB ARG A 8 10.861 -7.328 -2.304 1.00 0.00 C ATOM 104 CG ARG A 8 11.880 -7.916 -1.351 1.00 0.00 C ATOM 105 CD ARG A 8 12.261 -6.909 -0.280 1.00 0.00 C ATOM 106 NE ARG A 8 13.013 -7.516 0.813 1.00 0.00 N ATOM 107 CZ ARG A 8 14.048 -6.939 1.415 1.00 0.00 C ATOM 108 NH1 ARG A 8 14.490 -5.756 0.996 1.00 0.00 N ATOM 109 NH2 ARG A 8 14.641 -7.545 2.434 1.00 0.00 N ATOM 0 H ARG A 8 10.781 -7.257 -5.301 1.00 0.00 H new ATOM 0 HA ARG A 8 10.728 -9.274 -3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.250 -6.389 -2.698 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.956 -7.088 -1.746 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.473 -8.813 -0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.769 -8.219 -1.904 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.856 -6.113 -0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.358 -6.446 0.117 1.00 0.00 H new ATOM 0 HE ARG A 8 12.727 -8.440 1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.034 -5.290 0.211 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.284 -5.315 1.460 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.303 -8.452 2.755 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.435 -7.104 2.897 1.00 0.00 H new ATOM 123 N SER A 9 8.241 -8.828 -2.921 1.00 0.00 N ATOM 124 CA SER A 9 6.800 -8.680 -2.867 1.00 0.00 C ATOM 125 C SER A 9 6.401 -8.339 -1.433 1.00 0.00 C ATOM 126 O SER A 9 6.849 -8.988 -0.483 1.00 0.00 O ATOM 127 CB SER A 9 6.105 -9.965 -3.333 1.00 0.00 C ATOM 128 OG SER A 9 6.518 -10.328 -4.645 1.00 0.00 O ATOM 0 H SER A 9 8.608 -9.535 -2.284 1.00 0.00 H new ATOM 0 HA SER A 9 6.487 -7.878 -3.536 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.332 -10.776 -2.640 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.024 -9.824 -3.315 1.00 0.00 H new ATOM 0 HG SER A 9 6.480 -11.302 -4.742 1.00 0.00 H new ATOM 134 N TYR A 10 5.597 -7.305 -1.273 1.00 0.00 N ATOM 135 CA TYR A 10 5.195 -6.858 0.050 1.00 0.00 C ATOM 136 C TYR A 10 3.721 -7.145 0.280 1.00 0.00 C ATOM 137 O TYR A 10 2.910 -7.008 -0.631 1.00 0.00 O ATOM 138 CB TYR A 10 5.448 -5.355 0.210 1.00 0.00 C ATOM 139 CG TYR A 10 6.910 -4.961 0.188 1.00 0.00 C ATOM 140 CD1 TYR A 10 7.562 -4.686 -1.007 1.00 0.00 C ATOM 141 CD2 TYR A 10 7.632 -4.855 1.368 1.00 0.00 C ATOM 142 CE1 TYR A 10 8.893 -4.315 -1.022 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.962 -4.486 1.358 1.00 0.00 C ATOM 144 CZ TYR A 10 9.588 -4.219 0.164 1.00 0.00 C ATOM 145 OH TYR A 10 10.911 -3.846 0.158 1.00 0.00 O ATOM 0 H TYR A 10 5.209 -6.758 -2.041 1.00 0.00 H new ATOM 0 HA TYR A 10 5.788 -7.402 0.785 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.929 -4.825 -0.589 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.009 -5.023 1.151 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.021 -4.763 -1.938 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.146 -5.065 2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 10 9.386 -4.101 -1.959 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.509 -4.407 2.286 1.00 0.00 H new ATOM 0 HH TYR A 10 11.250 -3.827 1.077 1.00 0.00 H new ATOM 155 N ARG A 11 3.379 -7.538 1.494 1.00 0.00 N ATOM 156 CA ARG A 11 1.990 -7.797 1.837 1.00 0.00 C ATOM 157 C ARG A 11 1.456 -6.708 2.748 1.00 0.00 C ATOM 158 O ARG A 11 2.195 -6.113 3.538 1.00 0.00 O ATOM 159 CB ARG A 11 1.819 -9.170 2.494 1.00 0.00 C ATOM 160 CG ARG A 11 2.669 -9.372 3.737 1.00 0.00 C ATOM 161 CD ARG A 11 2.555 -10.789 4.276 1.00 0.00 C ATOM 162 NE ARG A 11 3.318 -10.970 5.513 1.00 0.00 N ATOM 163 CZ ARG A 11 4.270 -11.889 5.678 1.00 0.00 C ATOM 164 NH1 ARG A 11 4.558 -12.747 4.704 1.00 0.00 N ATOM 165 NH2 ARG A 11 4.923 -11.955 6.832 1.00 0.00 N ATOM 0 H ARG A 11 4.040 -7.685 2.257 1.00 0.00 H new ATOM 0 HA ARG A 11 1.416 -7.797 0.910 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.770 -9.307 2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.068 -9.943 1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.711 -9.155 3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.361 -8.665 4.507 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.506 -11.023 4.460 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.912 -11.493 3.524 1.00 0.00 H new ATOM 0 HE ARG A 11 3.108 -10.354 6.298 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.049 -12.706 3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.288 -13.446 4.840 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.695 -11.306 7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.653 -12.655 6.966 1.00 0.00 H new ATOM 179 N ILE A 12 0.175 -6.444 2.622 1.00 0.00 N ATOM 180 CA ILE A 12 -0.469 -5.422 3.427 1.00 0.00 C ATOM 181 C ILE A 12 -1.000 -6.042 4.710 1.00 0.00 C ATOM 182 O ILE A 12 -1.915 -6.864 4.676 1.00 0.00 O ATOM 183 CB ILE A 12 -1.644 -4.746 2.683 1.00 0.00 C ATOM 184 CG1 ILE A 12 -1.235 -4.356 1.261 1.00 0.00 C ATOM 185 CG2 ILE A 12 -2.116 -3.519 3.458 1.00 0.00 C ATOM 186 CD1 ILE A 12 -2.358 -3.742 0.454 1.00 0.00 C ATOM 0 H ILE A 12 -0.446 -6.922 1.969 1.00 0.00 H new ATOM 0 HA ILE A 12 0.281 -4.661 3.643 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.466 -5.458 2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.407 -3.649 1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.868 -5.241 0.742 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.944 -3.049 2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.447 -3.821 4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.294 -2.809 3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.995 -3.491 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.179 -4.454 0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.710 -2.838 0.950 1.00 0.00 H new ATOM 198 N THR A 13 -0.425 -5.658 5.836 1.00 0.00 N ATOM 199 CA THR A 13 -0.834 -6.225 7.110 1.00 0.00 C ATOM 200 C THR A 13 -1.945 -5.393 7.753 1.00 0.00 C ATOM 201 O THR A 13 -2.565 -5.818 8.727 1.00 0.00 O ATOM 202 CB THR A 13 0.358 -6.367 8.081 1.00 0.00 C ATOM 203 OG1 THR A 13 -0.058 -7.019 9.289 1.00 0.00 O ATOM 204 CG2 THR A 13 0.972 -5.015 8.415 1.00 0.00 C ATOM 0 H THR A 13 0.319 -4.963 5.895 1.00 0.00 H new ATOM 0 HA THR A 13 -1.222 -7.223 6.905 1.00 0.00 H new ATOM 0 HB THR A 13 1.116 -6.972 7.583 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.013 -6.856 9.436 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.808 -5.154 9.101 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.328 -4.541 7.500 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.220 -4.380 8.884 1.00 0.00 H new ATOM 212 N GLY A 14 -2.197 -4.212 7.205 1.00 0.00 N ATOM 213 CA GLY A 14 -3.271 -3.384 7.713 1.00 0.00 C ATOM 214 C GLY A 14 -3.127 -1.942 7.293 1.00 0.00 C ATOM 215 O GLY A 14 -2.314 -1.622 6.426 1.00 0.00 O ATOM 0 H GLY A 14 -1.679 -3.814 6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.226 -3.771 7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.290 -3.443 8.801 1.00 0.00 H new ATOM 219 N TYR A 15 -3.921 -1.073 7.898 1.00 0.00 N ATOM 220 CA TYR A 15 -3.845 0.350 7.618 1.00 0.00 C ATOM 221 C TYR A 15 -3.020 1.042 8.692 1.00 0.00 C ATOM 222 O TYR A 15 -2.878 0.527 9.803 1.00 0.00 O ATOM 223 CB TYR A 15 -5.241 0.981 7.571 1.00 0.00 C ATOM 224 CG TYR A 15 -6.156 0.405 6.515 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.123 0.878 5.213 1.00 0.00 C ATOM 226 CD2 TYR A 15 -7.057 -0.606 6.823 1.00 0.00 C ATOM 227 CE1 TYR A 15 -6.965 0.367 4.245 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.904 -1.125 5.860 1.00 0.00 C ATOM 229 CZ TYR A 15 -7.852 -0.639 4.574 1.00 0.00 C ATOM 230 OH TYR A 15 -8.693 -1.148 3.613 1.00 0.00 O ATOM 0 H TYR A 15 -4.627 -1.330 8.588 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.373 0.477 6.644 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.713 0.861 8.546 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.136 2.052 7.397 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.426 1.660 4.951 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -7.097 -0.993 7.830 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.930 0.752 3.237 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.603 -1.908 6.117 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.228 -1.171 2.751 1.00 0.00 H new ATOM 240 N SER A 16 -2.473 2.196 8.354 1.00 0.00 N ATOM 241 CA SER A 16 -1.743 3.004 9.317 1.00 0.00 C ATOM 242 C SER A 16 -2.641 3.384 10.491 1.00 0.00 C ATOM 243 O SER A 16 -3.816 3.691 10.308 1.00 0.00 O ATOM 244 CB SER A 16 -1.214 4.270 8.644 1.00 0.00 C ATOM 245 OG SER A 16 -0.505 5.084 9.564 1.00 0.00 O ATOM 0 H SER A 16 -2.520 2.596 7.417 1.00 0.00 H new ATOM 0 HA SER A 16 -0.905 2.417 9.693 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.559 3.998 7.816 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.045 4.834 8.221 1.00 0.00 H new ATOM 0 HG SER A 16 -0.177 5.886 9.106 1.00 0.00 H new ATOM 251 N PRO A 17 -2.103 3.364 11.715 1.00 0.00 N ATOM 252 CA PRO A 17 -2.843 3.800 12.902 1.00 0.00 C ATOM 253 C PRO A 17 -3.167 5.291 12.846 1.00 0.00 C ATOM 254 O PRO A 17 -4.003 5.795 13.597 1.00 0.00 O ATOM 255 CB PRO A 17 -1.881 3.508 14.054 1.00 0.00 C ATOM 256 CG PRO A 17 -0.530 3.448 13.426 1.00 0.00 C ATOM 257 CD PRO A 17 -0.745 2.901 12.045 1.00 0.00 C ATOM 0 HA PRO A 17 -3.803 3.292 12.999 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.928 4.288 14.814 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.129 2.568 14.546 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.072 4.436 13.388 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.140 2.808 14.000 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.006 3.282 11.340 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.673 1.814 12.026 1.00 0.00 H new ATOM 265 N ALA A 18 -2.498 5.990 11.939 1.00 0.00 N ATOM 266 CA ALA A 18 -2.691 7.421 11.774 1.00 0.00 C ATOM 267 C ALA A 18 -3.555 7.722 10.556 1.00 0.00 C ATOM 268 O ALA A 18 -3.654 8.875 10.125 1.00 0.00 O ATOM 269 CB ALA A 18 -1.343 8.115 11.651 1.00 0.00 C ATOM 0 H ALA A 18 -1.812 5.584 11.303 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.210 7.801 12.654 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.496 9.187 11.528 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.757 7.933 12.552 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.809 7.723 10.785 1.00 0.00 H new ATOM 275 N ILE A 19 -4.194 6.693 10.013 1.00 0.00 N ATOM 276 CA ILE A 19 -5.006 6.855 8.814 1.00 0.00 C ATOM 277 C ILE A 19 -6.342 7.518 9.143 1.00 0.00 C ATOM 278 O ILE A 19 -6.902 7.323 10.227 1.00 0.00 O ATOM 279 CB ILE A 19 -5.265 5.503 8.100 1.00 0.00 C ATOM 280 CG1 ILE A 19 -5.771 5.744 6.676 1.00 0.00 C ATOM 281 CG2 ILE A 19 -6.270 4.653 8.875 1.00 0.00 C ATOM 282 CD1 ILE A 19 -6.002 4.473 5.887 1.00 0.00 C ATOM 0 H ILE A 19 -4.166 5.742 10.382 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.440 7.496 8.139 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.321 4.960 8.057 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.703 6.307 6.722 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.050 6.365 6.144 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.431 3.711 8.350 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.882 4.450 9.873 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.215 5.190 8.956 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.360 4.724 4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.067 3.918 5.808 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.746 3.859 6.395 1.00 0.00 H new ATOM 294 N SER A 20 -6.833 8.316 8.209 1.00 0.00 N ATOM 295 CA SER A 20 -8.134 8.940 8.344 1.00 0.00 C ATOM 296 C SER A 20 -9.224 7.973 7.883 1.00 0.00 C ATOM 297 O SER A 20 -9.009 7.190 6.952 1.00 0.00 O ATOM 298 CB SER A 20 -8.168 10.230 7.527 1.00 0.00 C ATOM 299 OG SER A 20 -7.096 11.087 7.893 1.00 0.00 O ATOM 0 H SER A 20 -6.344 8.547 7.344 1.00 0.00 H new ATOM 0 HA SER A 20 -8.317 9.186 9.390 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.105 9.995 6.465 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.118 10.741 7.685 1.00 0.00 H new ATOM 0 HG SER A 20 -7.135 11.907 7.357 1.00 0.00 H new ATOM 305 N ASN A 21 -10.382 8.031 8.534 1.00 0.00 N ATOM 306 CA ASN A 21 -11.477 7.102 8.263 1.00 0.00 C ATOM 307 C ASN A 21 -11.906 7.135 6.800 1.00 0.00 C ATOM 308 O ASN A 21 -12.128 6.085 6.192 1.00 0.00 O ATOM 309 CB ASN A 21 -12.679 7.396 9.167 1.00 0.00 C ATOM 310 CG ASN A 21 -12.469 6.914 10.588 1.00 0.00 C ATOM 311 OD1 ASN A 21 -11.941 7.634 11.437 1.00 0.00 O ATOM 312 ND2 ASN A 21 -12.887 5.687 10.853 1.00 0.00 N ATOM 0 H ASN A 21 -10.588 8.718 9.259 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.104 6.101 8.480 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.869 8.469 9.175 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.567 6.918 8.752 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.777 5.302 11.791 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.319 5.126 10.119 1.00 0.00 H new ATOM 319 N GLY A 22 -12.009 8.333 6.234 1.00 0.00 N ATOM 320 CA GLY A 22 -12.419 8.459 4.848 1.00 0.00 C ATOM 321 C GLY A 22 -11.382 7.905 3.890 1.00 0.00 C ATOM 322 O GLY A 22 -11.727 7.305 2.877 1.00 0.00 O ATOM 0 H GLY A 22 -11.817 9.215 6.708 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.363 7.935 4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.599 9.509 4.618 1.00 0.00 H new ATOM 326 N TYR A 23 -10.110 8.078 4.226 1.00 0.00 N ATOM 327 CA TYR A 23 -9.032 7.548 3.413 1.00 0.00 C ATOM 328 C TYR A 23 -9.025 6.025 3.451 1.00 0.00 C ATOM 329 O TYR A 23 -8.730 5.379 2.453 1.00 0.00 O ATOM 330 CB TYR A 23 -7.691 8.110 3.878 1.00 0.00 C ATOM 331 CG TYR A 23 -7.359 9.450 3.266 1.00 0.00 C ATOM 332 CD1 TYR A 23 -7.129 9.565 1.900 1.00 0.00 C ATOM 333 CD2 TYR A 23 -7.278 10.597 4.046 1.00 0.00 C ATOM 334 CE1 TYR A 23 -6.824 10.782 1.328 1.00 0.00 C ATOM 335 CE2 TYR A 23 -6.972 11.822 3.480 1.00 0.00 C ATOM 336 CZ TYR A 23 -6.750 11.908 2.118 1.00 0.00 C ATOM 337 OH TYR A 23 -6.444 13.123 1.546 1.00 0.00 O ATOM 0 H TYR A 23 -9.803 8.582 5.058 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.194 7.857 2.380 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.703 8.207 4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.902 7.400 3.630 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.190 8.686 1.276 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.456 10.531 5.109 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.644 10.852 0.265 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.907 12.705 4.098 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.432 13.817 2.238 1.00 0.00 H new ATOM 347 N ARG A 24 -9.373 5.461 4.600 1.00 0.00 N ATOM 348 CA ARG A 24 -9.514 4.019 4.739 1.00 0.00 C ATOM 349 C ARG A 24 -10.625 3.521 3.825 1.00 0.00 C ATOM 350 O ARG A 24 -10.501 2.480 3.185 1.00 0.00 O ATOM 351 CB ARG A 24 -9.830 3.682 6.197 1.00 0.00 C ATOM 352 CG ARG A 24 -9.876 2.197 6.501 1.00 0.00 C ATOM 353 CD ARG A 24 -10.348 1.942 7.926 1.00 0.00 C ATOM 354 NE ARG A 24 -10.457 0.514 8.228 1.00 0.00 N ATOM 355 CZ ARG A 24 -11.575 -0.196 8.072 1.00 0.00 C ATOM 356 NH1 ARG A 24 -12.673 0.384 7.600 1.00 0.00 N ATOM 357 NH2 ARG A 24 -11.598 -1.482 8.398 1.00 0.00 N ATOM 0 H ARG A 24 -9.564 5.985 5.454 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.584 3.528 4.454 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.080 4.148 6.836 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.791 4.124 6.459 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.545 1.700 5.799 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.886 1.763 6.360 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.653 2.407 8.625 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.317 2.418 8.076 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.629 0.033 8.579 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.662 1.374 7.356 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.527 -0.161 7.481 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.760 -1.929 8.769 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.454 -2.023 8.278 1.00 0.00 H new ATOM 371 N GLN A 25 -11.699 4.292 3.761 1.00 0.00 N ATOM 372 CA GLN A 25 -12.817 3.983 2.893 1.00 0.00 C ATOM 373 C GLN A 25 -12.410 4.096 1.430 1.00 0.00 C ATOM 374 O GLN A 25 -12.798 3.273 0.595 1.00 0.00 O ATOM 375 CB GLN A 25 -13.975 4.926 3.198 1.00 0.00 C ATOM 376 CG GLN A 25 -14.564 4.733 4.585 1.00 0.00 C ATOM 377 CD GLN A 25 -15.803 5.572 4.833 1.00 0.00 C ATOM 378 OE1 GLN A 25 -15.901 6.710 4.164 1.00 0.00 O flip ATOM 379 NE2 GLN A 25 -16.676 5.191 5.615 1.00 0.00 N flip ATOM 0 H GLN A 25 -11.817 5.145 4.308 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.133 2.956 3.076 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.631 5.955 3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.759 4.778 2.455 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.813 3.681 4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.809 4.983 5.331 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.565 4.308 6.113 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.510 5.759 5.765 1.00 0.00 H new ATOM 388 N ARG A 26 -11.626 5.121 1.134 1.00 0.00 N ATOM 389 CA ARG A 26 -11.079 5.335 -0.200 1.00 0.00 C ATOM 390 C ARG A 26 -10.193 4.166 -0.602 1.00 0.00 C ATOM 391 O ARG A 26 -10.299 3.639 -1.707 1.00 0.00 O ATOM 392 CB ARG A 26 -10.271 6.634 -0.217 1.00 0.00 C ATOM 393 CG ARG A 26 -9.631 6.969 -1.555 1.00 0.00 C ATOM 394 CD ARG A 26 -8.836 8.257 -1.459 1.00 0.00 C ATOM 395 NE ARG A 26 -8.148 8.591 -2.701 1.00 0.00 N ATOM 396 CZ ARG A 26 -7.836 9.833 -3.059 1.00 0.00 C ATOM 397 NH1 ARG A 26 -8.199 10.859 -2.299 1.00 0.00 N ATOM 398 NH2 ARG A 26 -7.173 10.051 -4.184 1.00 0.00 N ATOM 0 H ARG A 26 -11.350 5.831 1.813 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.899 5.409 -0.914 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.925 7.456 0.073 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.488 6.568 0.538 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.977 6.154 -1.866 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.402 7.068 -2.319 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.506 9.073 -1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.104 8.168 -0.656 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.892 7.830 -3.330 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.719 10.696 -1.437 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.958 11.810 -2.577 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.901 9.266 -4.776 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.934 11.004 -4.459 1.00 0.00 H new ATOM 412 N LEU A 27 -9.340 3.749 0.320 1.00 0.00 N ATOM 413 CA LEU A 27 -8.402 2.665 0.062 1.00 0.00 C ATOM 414 C LEU A 27 -9.145 1.352 -0.149 1.00 0.00 C ATOM 415 O LEU A 27 -8.833 0.588 -1.068 1.00 0.00 O ATOM 416 CB LEU A 27 -7.404 2.532 1.216 1.00 0.00 C ATOM 417 CG LEU A 27 -6.426 3.700 1.365 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.454 3.440 2.503 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.673 3.934 0.066 1.00 0.00 C ATOM 0 H LEU A 27 -9.277 4.146 1.258 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.850 2.900 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.961 2.423 2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.832 1.615 1.078 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.998 4.598 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.767 4.281 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.008 3.322 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.889 2.530 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.982 4.768 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.114 3.036 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.382 4.166 -0.729 1.00 0.00 H new ATOM 431 N PHE A 28 -10.144 1.116 0.686 1.00 0.00 N ATOM 432 CA PHE A 28 -10.962 -0.087 0.596 1.00 0.00 C ATOM 433 C PHE A 28 -11.662 -0.139 -0.754 1.00 0.00 C ATOM 434 O PHE A 28 -11.704 -1.179 -1.413 1.00 0.00 O ATOM 435 CB PHE A 28 -11.998 -0.093 1.719 1.00 0.00 C ATOM 436 CG PHE A 28 -12.644 -1.432 1.947 1.00 0.00 C ATOM 437 CD1 PHE A 28 -12.008 -2.398 2.710 1.00 0.00 C ATOM 438 CD2 PHE A 28 -13.886 -1.722 1.407 1.00 0.00 C ATOM 439 CE1 PHE A 28 -12.598 -3.629 2.928 1.00 0.00 C ATOM 440 CE2 PHE A 28 -14.481 -2.951 1.620 1.00 0.00 C ATOM 441 CZ PHE A 28 -13.837 -3.905 2.383 1.00 0.00 C ATOM 0 H PHE A 28 -10.411 1.747 1.441 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.320 -0.962 0.697 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.519 0.230 2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.773 0.638 1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.040 -2.187 3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -14.396 -0.979 0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -12.091 -4.374 3.524 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -15.448 -3.165 1.190 1.00 0.00 H new ATOM 0 HZ PHE A 28 -14.301 -4.865 2.553 1.00 0.00 H new ATOM 451 N SER A 29 -12.187 1.009 -1.165 1.00 0.00 N ATOM 452 CA SER A 29 -12.879 1.136 -2.442 1.00 0.00 C ATOM 453 C SER A 29 -11.919 0.950 -3.617 1.00 0.00 C ATOM 454 O SER A 29 -12.313 0.503 -4.694 1.00 0.00 O ATOM 455 CB SER A 29 -13.541 2.509 -2.526 1.00 0.00 C ATOM 456 OG SER A 29 -14.495 2.679 -1.488 1.00 0.00 O ATOM 0 H SER A 29 -12.146 1.874 -0.626 1.00 0.00 H new ATOM 0 HA SER A 29 -13.636 0.354 -2.501 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.781 3.288 -2.457 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.028 2.623 -3.494 1.00 0.00 H new ATOM 0 HG SER A 29 -14.039 2.962 -0.668 1.00 0.00 H new ATOM 462 N MET A 30 -10.661 1.310 -3.406 1.00 0.00 N ATOM 463 CA MET A 30 -9.633 1.144 -4.429 1.00 0.00 C ATOM 464 C MET A 30 -9.169 -0.305 -4.508 1.00 0.00 C ATOM 465 O MET A 30 -8.573 -0.719 -5.503 1.00 0.00 O ATOM 466 CB MET A 30 -8.436 2.061 -4.158 1.00 0.00 C ATOM 467 CG MET A 30 -8.719 3.529 -4.432 1.00 0.00 C ATOM 468 SD MET A 30 -7.283 4.582 -4.129 1.00 0.00 S ATOM 469 CE MET A 30 -6.095 3.877 -5.271 1.00 0.00 C ATOM 0 H MET A 30 -10.325 1.720 -2.534 1.00 0.00 H new ATOM 0 HA MET A 30 -10.075 1.421 -5.386 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.130 1.947 -3.118 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.596 1.740 -4.775 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.039 3.646 -5.467 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.546 3.859 -3.803 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.296 4.596 -5.455 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.674 2.968 -4.842 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.592 3.638 -6.211 1.00 0.00 H new ATOM 479 N GLY A 31 -9.449 -1.070 -3.460 1.00 0.00 N ATOM 480 CA GLY A 31 -9.076 -2.472 -3.441 1.00 0.00 C ATOM 481 C GLY A 31 -7.858 -2.733 -2.579 1.00 0.00 C ATOM 482 O GLY A 31 -7.240 -3.795 -2.663 1.00 0.00 O ATOM 0 H GLY A 31 -9.929 -0.744 -2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.914 -3.063 -3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.876 -2.806 -4.459 1.00 0.00 H new ATOM 486 N LEU A 32 -7.510 -1.760 -1.750 1.00 0.00 N ATOM 487 CA LEU A 32 -6.357 -1.873 -0.874 1.00 0.00 C ATOM 488 C LEU A 32 -6.804 -2.225 0.536 1.00 0.00 C ATOM 489 O LEU A 32 -7.227 -1.359 1.302 1.00 0.00 O ATOM 490 CB LEU A 32 -5.558 -0.570 -0.875 1.00 0.00 C ATOM 491 CG LEU A 32 -5.017 -0.144 -2.241 1.00 0.00 C ATOM 492 CD1 LEU A 32 -4.296 1.190 -2.136 1.00 0.00 C ATOM 493 CD2 LEU A 32 -4.083 -1.205 -2.804 1.00 0.00 C ATOM 0 H LEU A 32 -8.015 -0.878 -1.667 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.712 -2.670 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.192 0.228 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.720 -0.675 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.861 -0.031 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.918 1.477 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.989 1.951 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.463 1.100 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.709 -0.882 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.244 -1.350 -2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.625 -2.144 -2.917 1.00 0.00 H new ATOM 505 N LEU A 33 -6.732 -3.506 0.861 1.00 0.00 N ATOM 506 CA LEU A 33 -7.166 -3.999 2.153 1.00 0.00 C ATOM 507 C LEU A 33 -6.110 -4.934 2.741 1.00 0.00 C ATOM 508 O LEU A 33 -5.271 -5.460 2.007 1.00 0.00 O ATOM 509 CB LEU A 33 -8.507 -4.737 2.022 1.00 0.00 C ATOM 510 CG LEU A 33 -8.499 -6.005 1.157 1.00 0.00 C ATOM 511 CD1 LEU A 33 -9.684 -6.882 1.515 1.00 0.00 C ATOM 512 CD2 LEU A 33 -8.546 -5.664 -0.325 1.00 0.00 C ATOM 0 H LEU A 33 -6.372 -4.229 0.238 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.299 -3.149 2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.850 -5.006 3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.241 -4.045 1.609 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.571 -6.541 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.672 -7.780 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.624 -7.164 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.609 -6.333 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.539 -6.583 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.456 -5.103 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.677 -5.060 -0.587 1.00 0.00 H new ATOM 524 N PRO A 34 -6.128 -5.141 4.069 1.00 0.00 N ATOM 525 CA PRO A 34 -5.217 -6.075 4.736 1.00 0.00 C ATOM 526 C PRO A 34 -5.401 -7.496 4.221 1.00 0.00 C ATOM 527 O PRO A 34 -6.520 -8.015 4.181 1.00 0.00 O ATOM 528 CB PRO A 34 -5.613 -5.983 6.217 1.00 0.00 C ATOM 529 CG PRO A 34 -6.356 -4.697 6.342 1.00 0.00 C ATOM 530 CD PRO A 34 -7.039 -4.488 5.023 1.00 0.00 C ATOM 0 HA PRO A 34 -4.170 -5.828 4.557 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.235 -6.828 6.512 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.734 -5.995 6.861 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.081 -4.742 7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.677 -3.874 6.565 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.031 -4.939 5.007 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.167 -3.429 4.798 1.00 0.00 H new ATOM 538 N GLY A 35 -4.304 -8.121 3.829 1.00 0.00 N ATOM 539 CA GLY A 35 -4.375 -9.447 3.258 1.00 0.00 C ATOM 540 C GLY A 35 -3.930 -9.463 1.810 1.00 0.00 C ATOM 541 O GLY A 35 -3.699 -10.525 1.231 1.00 0.00 O ATOM 0 H GLY A 35 -3.363 -7.733 3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.749 -10.126 3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.398 -9.818 3.328 1.00 0.00 H new ATOM 545 N ALA A 36 -3.805 -8.281 1.219 1.00 0.00 N ATOM 546 CA ALA A 36 -3.371 -8.164 -0.152 1.00 0.00 C ATOM 547 C ALA A 36 -1.857 -8.062 -0.213 1.00 0.00 C ATOM 548 O ALA A 36 -1.176 -8.007 0.814 1.00 0.00 O ATOM 549 CB ALA A 36 -4.022 -6.957 -0.816 1.00 0.00 C ATOM 0 H ALA A 36 -4.001 -7.391 1.677 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.679 -9.057 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.684 -6.884 -1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.106 -7.071 -0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.743 -6.051 -0.278 1.00 0.00 H new ATOM 555 N ALA A 37 -1.348 -8.024 -1.419 1.00 0.00 N ATOM 556 CA ALA A 37 0.086 -7.982 -1.658 1.00 0.00 C ATOM 557 C ALA A 37 0.411 -7.177 -2.911 1.00 0.00 C ATOM 558 O ALA A 37 -0.392 -7.109 -3.844 1.00 0.00 O ATOM 559 CB ALA A 37 0.642 -9.393 -1.784 1.00 0.00 C ATOM 0 H ALA A 37 -1.912 -8.021 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 37 0.555 -7.490 -0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.716 -9.346 -1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.451 -9.943 -0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.157 -9.902 -2.617 1.00 0.00 H new ATOM 565 N LEU A 38 1.587 -6.566 -2.916 1.00 0.00 N ATOM 566 CA LEU A 38 2.065 -5.800 -4.056 1.00 0.00 C ATOM 567 C LEU A 38 3.451 -6.281 -4.450 1.00 0.00 C ATOM 568 O LEU A 38 4.335 -6.429 -3.603 1.00 0.00 O ATOM 569 CB LEU A 38 2.118 -4.308 -3.726 1.00 0.00 C ATOM 570 CG LEU A 38 0.814 -3.696 -3.201 1.00 0.00 C ATOM 571 CD1 LEU A 38 1.039 -2.258 -2.765 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.271 -3.762 -4.265 1.00 0.00 C ATOM 0 H LEU A 38 2.236 -6.588 -2.129 1.00 0.00 H new ATOM 0 HA LEU A 38 1.373 -5.948 -4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.899 -4.147 -2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.416 -3.767 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 38 0.487 -4.273 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.103 -1.839 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.787 -2.231 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.389 -1.671 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.190 -3.323 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.050 -3.208 -5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.452 -4.802 -4.536 1.00 0.00 H new ATOM 584 N ARG A 39 3.629 -6.531 -5.727 1.00 0.00 N ATOM 585 CA ARG A 39 4.905 -6.994 -6.242 1.00 0.00 C ATOM 586 C ARG A 39 5.578 -5.877 -7.024 1.00 0.00 C ATOM 587 O ARG A 39 4.969 -5.287 -7.911 1.00 0.00 O ATOM 588 CB ARG A 39 4.694 -8.226 -7.125 1.00 0.00 C ATOM 589 CG ARG A 39 5.974 -8.798 -7.708 1.00 0.00 C ATOM 590 CD ARG A 39 5.724 -10.152 -8.350 1.00 0.00 C ATOM 591 NE ARG A 39 5.252 -11.131 -7.373 1.00 0.00 N ATOM 592 CZ ARG A 39 4.723 -12.313 -7.692 1.00 0.00 C ATOM 593 NH1 ARG A 39 4.600 -12.670 -8.966 1.00 0.00 N ATOM 594 NH2 ARG A 39 4.315 -13.131 -6.731 1.00 0.00 N ATOM 0 H ARG A 39 2.903 -6.422 -6.435 1.00 0.00 H new ATOM 0 HA ARG A 39 5.553 -7.274 -5.411 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.197 -8.999 -6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.021 -7.964 -7.941 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.379 -8.110 -8.450 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.723 -8.897 -6.922 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.987 -10.047 -9.146 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.643 -10.512 -8.812 1.00 0.00 H new ATOM 0 HE ARG A 39 5.332 -10.895 -6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.911 -12.039 -9.705 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.195 -13.575 -9.205 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.406 -12.855 -5.753 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.910 -14.036 -6.970 1.00 0.00 H new ATOM 608 N VAL A 40 6.826 -5.581 -6.687 1.00 0.00 N ATOM 609 CA VAL A 40 7.546 -4.473 -7.308 1.00 0.00 C ATOM 610 C VAL A 40 7.717 -4.686 -8.814 1.00 0.00 C ATOM 611 O VAL A 40 8.207 -5.726 -9.260 1.00 0.00 O ATOM 612 CB VAL A 40 8.927 -4.246 -6.642 1.00 0.00 C ATOM 613 CG1 VAL A 40 9.841 -5.446 -6.824 1.00 0.00 C ATOM 614 CG2 VAL A 40 9.582 -2.982 -7.179 1.00 0.00 C ATOM 0 H VAL A 40 7.363 -6.092 -5.986 1.00 0.00 H new ATOM 0 HA VAL A 40 6.940 -3.580 -7.155 1.00 0.00 H new ATOM 0 HB VAL A 40 8.760 -4.121 -5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.800 -5.249 -6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.382 -6.325 -6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.998 -5.626 -7.888 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.550 -2.841 -6.698 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.722 -3.074 -8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.944 -2.124 -6.968 1.00 0.00 H new ATOM 624 N VAL A 41 7.262 -3.713 -9.588 1.00 0.00 N ATOM 625 CA VAL A 41 7.488 -3.709 -11.024 1.00 0.00 C ATOM 626 C VAL A 41 8.688 -2.832 -11.352 1.00 0.00 C ATOM 627 O VAL A 41 9.626 -3.270 -12.019 1.00 0.00 O ATOM 628 CB VAL A 41 6.252 -3.195 -11.794 1.00 0.00 C ATOM 629 CG1 VAL A 41 6.526 -3.137 -13.290 1.00 0.00 C ATOM 630 CG2 VAL A 41 5.047 -4.076 -11.516 1.00 0.00 C ATOM 0 H VAL A 41 6.732 -2.913 -9.243 1.00 0.00 H new ATOM 0 HA VAL A 41 7.678 -4.736 -11.334 1.00 0.00 H new ATOM 0 HB VAL A 41 6.036 -2.185 -11.446 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.639 -2.772 -13.808 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.361 -2.463 -13.481 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.774 -4.134 -13.653 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.186 -3.699 -12.067 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.262 -5.097 -11.833 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.828 -4.066 -10.448 1.00 0.00 H new ATOM 640 N ARG A 42 8.649 -1.598 -10.863 1.00 0.00 N ATOM 641 CA ARG A 42 9.727 -0.638 -11.077 1.00 0.00 C ATOM 642 C ARG A 42 9.787 0.349 -9.920 1.00 0.00 C ATOM 643 O ARG A 42 8.799 0.549 -9.216 1.00 0.00 O ATOM 644 CB ARG A 42 9.539 0.143 -12.386 1.00 0.00 C ATOM 645 CG ARG A 42 9.796 -0.664 -13.650 1.00 0.00 C ATOM 646 CD ARG A 42 9.783 0.227 -14.880 1.00 0.00 C ATOM 647 NE ARG A 42 10.832 1.248 -14.821 1.00 0.00 N ATOM 648 CZ ARG A 42 10.599 2.564 -14.830 1.00 0.00 C ATOM 649 NH1 ARG A 42 9.357 3.029 -14.901 1.00 0.00 N ATOM 650 NH2 ARG A 42 11.620 3.407 -14.769 1.00 0.00 N ATOM 0 H ARG A 42 7.873 -1.235 -10.309 1.00 0.00 H new ATOM 0 HA ARG A 42 10.657 -1.203 -11.139 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.521 0.530 -12.419 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.207 1.004 -12.379 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.759 -1.169 -13.573 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.037 -1.439 -13.751 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.919 -0.383 -15.773 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.810 0.710 -14.969 1.00 0.00 H new ATOM 0 HE ARG A 42 11.801 0.935 -14.770 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.571 2.380 -14.949 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.189 4.035 -14.907 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.574 3.050 -14.716 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.452 4.413 -14.775 1.00 0.00 H new ATOM 664 N ILE A 43 10.947 0.956 -9.724 1.00 0.00 N ATOM 665 CA ILE A 43 11.108 1.981 -8.700 1.00 0.00 C ATOM 666 C ILE A 43 11.716 3.237 -9.314 1.00 0.00 C ATOM 667 O ILE A 43 12.706 3.157 -10.050 1.00 0.00 O ATOM 668 CB ILE A 43 11.999 1.497 -7.528 1.00 0.00 C ATOM 669 CG1 ILE A 43 11.410 0.232 -6.896 1.00 0.00 C ATOM 670 CG2 ILE A 43 12.143 2.590 -6.477 1.00 0.00 C ATOM 671 CD1 ILE A 43 12.245 -0.337 -5.769 1.00 0.00 C ATOM 0 H ILE A 43 11.792 0.758 -10.260 1.00 0.00 H new ATOM 0 HA ILE A 43 10.118 2.201 -8.300 1.00 0.00 H new ATOM 0 HB ILE A 43 12.987 1.264 -7.924 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.413 0.457 -6.518 1.00 0.00 H new ATOM 0 HG13 ILE A 43 11.294 -0.528 -7.669 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.772 2.231 -5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.601 3.470 -6.928 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.159 2.852 -6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.762 -1.231 -5.374 1.00 0.00 H new ATOM 0 HD12 ILE A 43 13.235 -0.596 -6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.340 0.405 -4.976 1.00 0.00 H new ATOM 683 N ALA A 44 11.116 4.388 -9.020 1.00 0.00 N ATOM 684 CA ALA A 44 11.615 5.663 -9.517 1.00 0.00 C ATOM 685 C ALA A 44 12.990 5.962 -8.927 1.00 0.00 C ATOM 686 O ALA A 44 13.237 5.686 -7.753 1.00 0.00 O ATOM 687 CB ALA A 44 10.632 6.778 -9.185 1.00 0.00 C ATOM 0 H ALA A 44 10.281 4.461 -8.438 1.00 0.00 H new ATOM 0 HA ALA A 44 11.714 5.603 -10.601 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.016 7.726 -9.562 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.670 6.566 -9.651 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.505 6.842 -8.104 1.00 0.00 H new ATOM 693 N PRO A 45 13.901 6.537 -9.731 1.00 0.00 N ATOM 694 CA PRO A 45 15.301 6.775 -9.328 1.00 0.00 C ATOM 695 C PRO A 45 15.441 7.667 -8.092 1.00 0.00 C ATOM 696 O PRO A 45 16.501 7.712 -7.468 1.00 0.00 O ATOM 697 CB PRO A 45 15.914 7.470 -10.549 1.00 0.00 C ATOM 698 CG PRO A 45 15.022 7.109 -11.689 1.00 0.00 C ATOM 699 CD PRO A 45 13.644 6.996 -11.107 1.00 0.00 C ATOM 0 HA PRO A 45 15.789 5.841 -9.048 1.00 0.00 H new ATOM 0 HB2 PRO A 45 15.956 8.550 -10.408 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.935 7.131 -10.724 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.056 7.870 -12.469 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.332 6.169 -12.146 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.120 7.952 -11.122 1.00 0.00 H new ATOM 0 HD3 PRO A 45 13.029 6.287 -11.661 1.00 0.00 H new ATOM 707 N LEU A 46 14.372 8.369 -7.739 1.00 0.00 N ATOM 708 CA LEU A 46 14.402 9.294 -6.609 1.00 0.00 C ATOM 709 C LEU A 46 14.032 8.588 -5.308 1.00 0.00 C ATOM 710 O LEU A 46 14.284 9.103 -4.221 1.00 0.00 O ATOM 711 CB LEU A 46 13.439 10.471 -6.833 1.00 0.00 C ATOM 712 CG LEU A 46 13.708 11.344 -8.068 1.00 0.00 C ATOM 713 CD1 LEU A 46 15.184 11.679 -8.183 1.00 0.00 C ATOM 714 CD2 LEU A 46 13.203 10.672 -9.337 1.00 0.00 C ATOM 0 H LEU A 46 13.473 8.317 -8.217 1.00 0.00 H new ATOM 0 HA LEU A 46 15.421 9.673 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.426 10.075 -6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 46 13.467 11.109 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 46 13.158 12.277 -7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.349 12.298 -9.065 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.504 12.222 -7.294 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.760 10.758 -8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.407 11.313 -10.194 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.711 9.717 -9.469 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.129 10.504 -9.257 1.00 0.00 H new ATOM 726 N GLY A 47 13.423 7.416 -5.422 1.00 0.00 N ATOM 727 CA GLY A 47 12.933 6.715 -4.246 1.00 0.00 C ATOM 728 C GLY A 47 11.466 7.004 -4.014 1.00 0.00 C ATOM 729 O GLY A 47 10.789 6.302 -3.260 1.00 0.00 O ATOM 0 H GLY A 47 13.258 6.936 -6.307 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.081 5.642 -4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.509 7.017 -3.372 1.00 0.00 H new ATOM 733 N ASP A 48 10.997 8.063 -4.659 1.00 0.00 N ATOM 734 CA ASP A 48 9.586 8.433 -4.685 1.00 0.00 C ATOM 735 C ASP A 48 8.765 7.375 -5.426 1.00 0.00 C ATOM 736 O ASP A 48 9.357 6.484 -6.025 1.00 0.00 O ATOM 737 CB ASP A 48 9.425 9.831 -5.291 1.00 0.00 C ATOM 738 CG ASP A 48 9.554 10.909 -4.233 1.00 0.00 C ATOM 739 OD1 ASP A 48 8.539 11.226 -3.573 1.00 0.00 O ATOM 740 OD2 ASP A 48 10.673 11.417 -4.025 1.00 0.00 O ATOM 0 H ASP A 48 11.594 8.700 -5.187 1.00 0.00 H new ATOM 0 HA ASP A 48 9.201 8.471 -3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.179 9.984 -6.063 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.452 9.909 -5.776 1.00 0.00 H new ATOM 745 N PRO A 49 7.404 7.473 -5.369 1.00 0.00 N ATOM 746 CA PRO A 49 6.433 6.421 -5.704 1.00 0.00 C ATOM 747 C PRO A 49 6.920 5.265 -6.585 1.00 0.00 C ATOM 748 O PRO A 49 7.726 5.418 -7.505 1.00 0.00 O ATOM 749 CB PRO A 49 5.340 7.205 -6.432 1.00 0.00 C ATOM 750 CG PRO A 49 5.574 8.652 -6.091 1.00 0.00 C ATOM 751 CD PRO A 49 6.645 8.674 -5.034 1.00 0.00 C ATOM 0 HA PRO A 49 6.142 5.897 -4.794 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.395 7.044 -7.509 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.349 6.883 -6.111 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.887 9.212 -6.972 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.659 9.117 -5.726 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.257 9.575 -5.087 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.230 8.630 -4.027 1.00 0.00 H new ATOM 759 N ILE A 50 6.285 4.133 -6.376 1.00 0.00 N ATOM 760 CA ILE A 50 6.772 2.867 -6.896 1.00 0.00 C ATOM 761 C ILE A 50 5.711 2.198 -7.756 1.00 0.00 C ATOM 762 O ILE A 50 4.529 2.214 -7.413 1.00 0.00 O ATOM 763 CB ILE A 50 7.159 1.910 -5.741 1.00 0.00 C ATOM 764 CG1 ILE A 50 8.165 2.581 -4.800 1.00 0.00 C ATOM 765 CG2 ILE A 50 7.731 0.604 -6.280 1.00 0.00 C ATOM 766 CD1 ILE A 50 8.480 1.760 -3.567 1.00 0.00 C ATOM 0 H ILE A 50 5.419 4.060 -5.843 1.00 0.00 H new ATOM 0 HA ILE A 50 7.654 3.077 -7.502 1.00 0.00 H new ATOM 0 HB ILE A 50 6.254 1.680 -5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 50 9.089 2.772 -5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.771 3.549 -4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.994 -0.049 -5.448 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.987 0.112 -6.906 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.622 0.814 -6.872 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.198 2.296 -2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.565 1.591 -2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.903 0.801 -3.867 1.00 0.00 H new ATOM 778 N GLN A 51 6.138 1.623 -8.871 1.00 0.00 N ATOM 779 CA GLN A 51 5.251 0.869 -9.724 1.00 0.00 C ATOM 780 C GLN A 51 5.174 -0.565 -9.229 1.00 0.00 C ATOM 781 O GLN A 51 6.183 -1.265 -9.172 1.00 0.00 O ATOM 782 CB GLN A 51 5.737 0.894 -11.172 1.00 0.00 C ATOM 783 CG GLN A 51 5.657 2.262 -11.836 1.00 0.00 C ATOM 784 CD GLN A 51 6.735 3.222 -11.362 1.00 0.00 C ATOM 785 OE1 GLN A 51 7.832 2.809 -10.995 1.00 0.00 O ATOM 786 NE2 GLN A 51 6.432 4.508 -11.375 1.00 0.00 N ATOM 0 H GLN A 51 7.102 1.669 -9.202 1.00 0.00 H new ATOM 0 HA GLN A 51 4.261 1.324 -9.689 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.770 0.548 -11.202 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.147 0.186 -11.753 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.738 2.140 -12.916 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.678 2.698 -11.637 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.510 4.811 -11.687 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.121 5.197 -11.073 1.00 0.00 H new ATOM 795 N VAL A 52 3.983 -0.992 -8.864 1.00 0.00 N ATOM 796 CA VAL A 52 3.786 -2.317 -8.297 1.00 0.00 C ATOM 797 C VAL A 52 2.644 -3.038 -8.993 1.00 0.00 C ATOM 798 O VAL A 52 1.789 -2.412 -9.612 1.00 0.00 O ATOM 799 CB VAL A 52 3.498 -2.259 -6.781 1.00 0.00 C ATOM 800 CG1 VAL A 52 4.700 -1.714 -6.022 1.00 0.00 C ATOM 801 CG2 VAL A 52 2.258 -1.420 -6.496 1.00 0.00 C ATOM 0 H VAL A 52 3.130 -0.440 -8.949 1.00 0.00 H new ATOM 0 HA VAL A 52 4.715 -2.866 -8.452 1.00 0.00 H new ATOM 0 HB VAL A 52 3.309 -3.275 -6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.474 -1.682 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.561 -2.361 -6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.927 -0.708 -6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.075 -1.394 -5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.413 -0.405 -6.862 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.397 -1.860 -7.000 1.00 0.00 H new ATOM 811 N GLU A 53 2.636 -4.352 -8.885 1.00 0.00 N ATOM 812 CA GLU A 53 1.630 -5.175 -9.523 1.00 0.00 C ATOM 813 C GLU A 53 0.817 -5.894 -8.463 1.00 0.00 C ATOM 814 O GLU A 53 1.356 -6.317 -7.438 1.00 0.00 O ATOM 815 CB GLU A 53 2.302 -6.180 -10.469 1.00 0.00 C ATOM 816 CG GLU A 53 1.354 -7.189 -11.105 1.00 0.00 C ATOM 817 CD GLU A 53 0.251 -6.542 -11.918 1.00 0.00 C ATOM 818 OE1 GLU A 53 0.501 -6.180 -13.087 1.00 0.00 O ATOM 819 OE2 GLU A 53 -0.874 -6.414 -11.392 1.00 0.00 O ATOM 0 H GLU A 53 3.328 -4.879 -8.352 1.00 0.00 H new ATOM 0 HA GLU A 53 0.960 -4.546 -10.110 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.809 -5.629 -11.261 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.069 -6.722 -9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.925 -7.859 -11.748 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.908 -7.802 -10.322 1.00 0.00 H new ATOM 826 N THR A 54 -0.475 -6.014 -8.704 1.00 0.00 N ATOM 827 CA THR A 54 -1.360 -6.689 -7.779 1.00 0.00 C ATOM 828 C THR A 54 -1.585 -8.119 -8.231 1.00 0.00 C ATOM 829 O THR A 54 -1.494 -9.065 -7.441 1.00 0.00 O ATOM 830 CB THR A 54 -2.716 -5.962 -7.686 1.00 0.00 C ATOM 831 OG1 THR A 54 -3.264 -5.773 -9.003 1.00 0.00 O ATOM 832 CG2 THR A 54 -2.564 -4.612 -6.998 1.00 0.00 C ATOM 0 H THR A 54 -0.935 -5.650 -9.538 1.00 0.00 H new ATOM 0 HA THR A 54 -0.892 -6.684 -6.794 1.00 0.00 H new ATOM 0 HB THR A 54 -3.392 -6.579 -7.094 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.803 -5.030 -9.446 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.535 -4.119 -6.945 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.176 -4.759 -5.990 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.872 -3.990 -7.566 1.00 0.00 H new ATOM 840 N ARG A 55 -1.834 -8.254 -9.529 1.00 0.00 N ATOM 841 CA ARG A 55 -2.217 -9.509 -10.148 1.00 0.00 C ATOM 842 C ARG A 55 -2.709 -9.207 -11.557 1.00 0.00 C ATOM 843 O ARG A 55 -2.311 -9.849 -12.524 1.00 0.00 O ATOM 844 CB ARG A 55 -3.337 -10.184 -9.338 1.00 0.00 C ATOM 845 CG ARG A 55 -3.316 -11.708 -9.362 1.00 0.00 C ATOM 846 CD ARG A 55 -4.182 -12.295 -10.466 1.00 0.00 C ATOM 847 NE ARG A 55 -3.604 -12.112 -11.795 1.00 0.00 N ATOM 848 CZ ARG A 55 -4.157 -12.572 -12.913 1.00 0.00 C ATOM 849 NH1 ARG A 55 -5.282 -13.272 -12.856 1.00 0.00 N ATOM 850 NH2 ARG A 55 -3.581 -12.332 -14.083 1.00 0.00 N ATOM 0 H ARG A 55 -1.773 -7.478 -10.188 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.363 -10.186 -10.178 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.269 -9.850 -8.303 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.299 -9.842 -9.720 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.289 -12.050 -9.492 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.658 -12.086 -8.399 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.327 -13.359 -10.281 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.167 -11.829 -10.436 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.724 -11.601 -11.870 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.722 -13.457 -11.955 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.707 -13.625 -13.713 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.715 -11.795 -14.124 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.004 -12.684 -14.942 1.00 0.00 H new ATOM 864 N GLN A 56 -3.559 -8.191 -11.651 1.00 0.00 N ATOM 865 CA GLN A 56 -4.197 -7.825 -12.906 1.00 0.00 C ATOM 866 C GLN A 56 -3.577 -6.541 -13.452 1.00 0.00 C ATOM 867 O GLN A 56 -3.075 -6.505 -14.577 1.00 0.00 O ATOM 868 CB GLN A 56 -5.704 -7.633 -12.667 1.00 0.00 C ATOM 869 CG GLN A 56 -6.590 -7.787 -13.900 1.00 0.00 C ATOM 870 CD GLN A 56 -6.374 -6.714 -14.950 1.00 0.00 C ATOM 871 OE1 GLN A 56 -6.979 -5.639 -14.899 1.00 0.00 O ATOM 872 NE2 GLN A 56 -5.545 -7.017 -15.933 1.00 0.00 N ATOM 0 H GLN A 56 -3.823 -7.601 -10.862 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.047 -8.618 -13.639 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.029 -8.352 -11.915 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.864 -6.640 -12.248 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.405 -8.763 -14.349 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.635 -7.772 -13.589 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.065 -7.917 -15.936 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.385 -6.351 -16.689 1.00 0.00 H new ATOM 881 N THR A 57 -3.580 -5.502 -12.632 1.00 0.00 N ATOM 882 CA THR A 57 -3.163 -4.185 -13.075 1.00 0.00 C ATOM 883 C THR A 57 -2.085 -3.613 -12.156 1.00 0.00 C ATOM 884 O THR A 57 -2.100 -3.840 -10.940 1.00 0.00 O ATOM 885 CB THR A 57 -4.373 -3.223 -13.153 1.00 0.00 C ATOM 886 OG1 THR A 57 -3.957 -1.918 -13.574 1.00 0.00 O ATOM 887 CG2 THR A 57 -5.089 -3.128 -11.812 1.00 0.00 C ATOM 0 H THR A 57 -3.868 -5.548 -11.654 1.00 0.00 H new ATOM 0 HA THR A 57 -2.739 -4.288 -14.074 1.00 0.00 H new ATOM 0 HB THR A 57 -5.068 -3.629 -13.888 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.736 -1.325 -13.619 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.934 -2.445 -11.898 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.448 -4.115 -11.521 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.398 -2.756 -11.056 1.00 0.00 H new ATOM 895 N SER A 58 -1.148 -2.882 -12.745 1.00 0.00 N ATOM 896 CA SER A 58 -0.049 -2.301 -11.999 1.00 0.00 C ATOM 897 C SER A 58 -0.403 -0.890 -11.529 1.00 0.00 C ATOM 898 O SER A 58 -1.010 -0.111 -12.269 1.00 0.00 O ATOM 899 CB SER A 58 1.209 -2.271 -12.866 1.00 0.00 C ATOM 900 OG SER A 58 1.433 -3.531 -13.483 1.00 0.00 O ATOM 0 H SER A 58 -1.131 -2.679 -13.744 1.00 0.00 H new ATOM 0 HA SER A 58 0.140 -2.916 -11.119 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.110 -1.500 -13.630 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.070 -2.004 -12.254 1.00 0.00 H new ATOM 0 HG SER A 58 0.952 -4.227 -12.989 1.00 0.00 H new ATOM 906 N LEU A 59 -0.021 -0.572 -10.302 1.00 0.00 N ATOM 907 CA LEU A 59 -0.324 0.723 -9.709 1.00 0.00 C ATOM 908 C LEU A 59 0.956 1.449 -9.312 1.00 0.00 C ATOM 909 O LEU A 59 2.039 0.866 -9.320 1.00 0.00 O ATOM 910 CB LEU A 59 -1.221 0.573 -8.470 1.00 0.00 C ATOM 911 CG LEU A 59 -2.695 0.224 -8.727 1.00 0.00 C ATOM 912 CD1 LEU A 59 -2.853 -1.225 -9.163 1.00 0.00 C ATOM 913 CD2 LEU A 59 -3.518 0.493 -7.478 1.00 0.00 C ATOM 0 H LEU A 59 0.504 -1.199 -9.692 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.854 1.306 -10.462 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.794 -0.200 -7.832 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.185 1.506 -7.908 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.057 0.856 -9.537 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.907 -1.440 -9.337 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.292 -1.391 -10.083 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.472 -1.883 -8.382 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.562 0.243 -7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.143 -0.118 -6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.441 1.547 -7.211 1.00 0.00 H new ATOM 925 N ALA A 60 0.816 2.724 -8.975 1.00 0.00 N ATOM 926 CA ALA A 60 1.920 3.531 -8.470 1.00 0.00 C ATOM 927 C ALA A 60 1.406 4.463 -7.382 1.00 0.00 C ATOM 928 O ALA A 60 0.467 5.225 -7.606 1.00 0.00 O ATOM 929 CB ALA A 60 2.571 4.322 -9.598 1.00 0.00 C ATOM 0 H ALA A 60 -0.067 3.229 -9.044 1.00 0.00 H new ATOM 0 HA ALA A 60 2.680 2.874 -8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.392 4.917 -9.198 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.955 3.633 -10.351 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.832 4.982 -10.053 1.00 0.00 H new ATOM 935 N LEU A 61 2.019 4.400 -6.210 1.00 0.00 N ATOM 936 CA LEU A 61 1.523 5.133 -5.054 1.00 0.00 C ATOM 937 C LEU A 61 2.625 5.992 -4.450 1.00 0.00 C ATOM 938 O LEU A 61 3.795 5.613 -4.472 1.00 0.00 O ATOM 939 CB LEU A 61 0.948 4.155 -4.021 1.00 0.00 C ATOM 940 CG LEU A 61 1.856 2.992 -3.634 1.00 0.00 C ATOM 941 CD1 LEU A 61 2.789 3.373 -2.495 1.00 0.00 C ATOM 942 CD2 LEU A 61 1.032 1.766 -3.270 1.00 0.00 C ATOM 0 H LEU A 61 2.860 3.850 -6.034 1.00 0.00 H new ATOM 0 HA LEU A 61 0.723 5.801 -5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.699 4.713 -3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.015 3.749 -4.412 1.00 0.00 H new ATOM 0 HG LEU A 61 2.473 2.748 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.422 2.522 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.413 4.212 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.201 3.658 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.698 0.948 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.382 2.001 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.424 1.469 -4.125 1.00 0.00 H new ATOM 954 N ARG A 62 2.245 7.141 -3.912 1.00 0.00 N ATOM 955 CA ARG A 62 3.212 8.103 -3.393 1.00 0.00 C ATOM 956 C ARG A 62 3.553 7.789 -1.949 1.00 0.00 C ATOM 957 O ARG A 62 3.002 6.861 -1.357 1.00 0.00 O ATOM 958 CB ARG A 62 2.676 9.541 -3.461 1.00 0.00 C ATOM 959 CG ARG A 62 2.414 10.075 -4.861 1.00 0.00 C ATOM 960 CD ARG A 62 1.190 9.435 -5.488 1.00 0.00 C ATOM 961 NE ARG A 62 0.445 10.375 -6.316 1.00 0.00 N ATOM 962 CZ ARG A 62 -0.884 10.442 -6.338 1.00 0.00 C ATOM 963 NH1 ARG A 62 -1.606 9.641 -5.562 1.00 0.00 N ATOM 964 NH2 ARG A 62 -1.491 11.313 -7.132 1.00 0.00 N ATOM 0 H ARG A 62 1.272 7.433 -3.822 1.00 0.00 H new ATOM 0 HA ARG A 62 4.102 8.024 -4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.748 9.592 -2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.390 10.200 -2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.278 11.156 -4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.284 9.888 -5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.497 8.583 -6.094 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.540 9.050 -4.702 1.00 0.00 H new ATOM 0 HE ARG A 62 0.970 11.016 -6.911 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.142 8.972 -4.947 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.624 9.695 -5.581 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.939 11.932 -7.726 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.510 11.364 -7.149 1.00 0.00 H new ATOM 978 N ARG A 63 4.459 8.582 -1.388 1.00 0.00 N ATOM 979 CA ARG A 63 4.809 8.479 0.026 1.00 0.00 C ATOM 980 C ARG A 63 3.560 8.593 0.904 1.00 0.00 C ATOM 981 O ARG A 63 3.428 7.887 1.902 1.00 0.00 O ATOM 982 CB ARG A 63 5.811 9.569 0.416 1.00 0.00 C ATOM 983 CG ARG A 63 7.082 9.562 -0.420 1.00 0.00 C ATOM 984 CD ARG A 63 8.037 10.662 0.012 1.00 0.00 C ATOM 985 NE ARG A 63 9.159 10.811 -0.921 1.00 0.00 N ATOM 986 CZ ARG A 63 10.446 10.765 -0.564 1.00 0.00 C ATOM 987 NH1 ARG A 63 10.785 10.560 0.705 1.00 0.00 N ATOM 988 NH2 ARG A 63 11.400 10.927 -1.475 1.00 0.00 N ATOM 0 H ARG A 63 4.968 9.308 -1.893 1.00 0.00 H new ATOM 0 HA ARG A 63 5.266 7.502 0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.330 10.543 0.321 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.077 9.446 1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.574 8.594 -0.328 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.828 9.691 -1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.496 11.606 0.082 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.420 10.439 1.008 1.00 0.00 H new ATOM 0 HE ARG A 63 8.943 10.959 -1.907 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.061 10.437 1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.769 10.526 0.971 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.151 11.087 -2.451 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.381 10.891 -1.198 1.00 0.00 H new ATOM 1002 N LYS A 64 2.645 9.486 0.518 1.00 0.00 N ATOM 1003 CA LYS A 64 1.397 9.681 1.255 1.00 0.00 C ATOM 1004 C LYS A 64 0.567 8.407 1.261 1.00 0.00 C ATOM 1005 O LYS A 64 0.126 7.949 2.315 1.00 0.00 O ATOM 1006 CB LYS A 64 0.576 10.821 0.645 1.00 0.00 C ATOM 1007 CG LYS A 64 -0.748 11.051 1.358 1.00 0.00 C ATOM 1008 CD LYS A 64 -1.618 12.051 0.620 1.00 0.00 C ATOM 1009 CE LYS A 64 -2.967 12.210 1.302 1.00 0.00 C ATOM 1010 NZ LYS A 64 -3.863 13.141 0.569 1.00 0.00 N ATOM 0 H LYS A 64 2.747 10.085 -0.301 1.00 0.00 H new ATOM 0 HA LYS A 64 1.658 9.940 2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.162 11.739 0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.383 10.600 -0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.280 10.104 1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.559 11.410 2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.113 13.016 0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.764 11.722 -0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.448 11.235 1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.817 12.577 2.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.793 13.165 1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.449 14.095 0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.975 12.815 -0.412 1.00 0.00 H new ATOM 1024 N ASP A 65 0.367 7.842 0.079 1.00 0.00 N ATOM 1025 CA ASP A 65 -0.437 6.643 -0.076 1.00 0.00 C ATOM 1026 C ASP A 65 0.228 5.475 0.643 1.00 0.00 C ATOM 1027 O ASP A 65 -0.433 4.660 1.285 1.00 0.00 O ATOM 1028 CB ASP A 65 -0.609 6.307 -1.557 1.00 0.00 C ATOM 1029 CG ASP A 65 -1.126 7.472 -2.377 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -2.291 7.874 -2.183 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -0.366 7.987 -3.230 1.00 0.00 O ATOM 0 H ASP A 65 0.756 8.201 -0.793 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.419 6.822 0.361 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.349 5.982 -1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.298 5.468 -1.655 1.00 0.00 H new ATOM 1036 N LEU A 66 1.547 5.417 0.527 1.00 0.00 N ATOM 1037 CA LEU A 66 2.349 4.393 1.184 1.00 0.00 C ATOM 1038 C LEU A 66 2.179 4.451 2.696 1.00 0.00 C ATOM 1039 O LEU A 66 2.028 3.423 3.350 1.00 0.00 O ATOM 1040 CB LEU A 66 3.826 4.591 0.818 1.00 0.00 C ATOM 1041 CG LEU A 66 4.802 3.568 1.404 1.00 0.00 C ATOM 1042 CD1 LEU A 66 4.567 2.194 0.801 1.00 0.00 C ATOM 1043 CD2 LEU A 66 6.242 4.015 1.176 1.00 0.00 C ATOM 0 H LEU A 66 2.092 6.079 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 66 2.011 3.415 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.917 4.571 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.131 5.585 1.145 1.00 0.00 H new ATOM 0 HG LEU A 66 4.627 3.502 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.271 1.482 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.548 1.872 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.712 2.241 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.923 3.277 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.428 4.110 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.405 4.978 1.660 1.00 0.00 H new ATOM 1055 N ALA A 67 2.193 5.658 3.244 1.00 0.00 N ATOM 1056 CA ALA A 67 2.094 5.844 4.687 1.00 0.00 C ATOM 1057 C ALA A 67 0.697 5.519 5.215 1.00 0.00 C ATOM 1058 O ALA A 67 0.504 5.375 6.419 1.00 0.00 O ATOM 1059 CB ALA A 67 2.489 7.264 5.067 1.00 0.00 C ATOM 0 H ALA A 67 2.272 6.524 2.712 1.00 0.00 H new ATOM 0 HA ALA A 67 2.787 5.144 5.153 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.410 7.387 6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.516 7.452 4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.824 7.972 4.572 1.00 0.00 H new ATOM 1065 N LEU A 68 -0.272 5.405 4.315 1.00 0.00 N ATOM 1066 CA LEU A 68 -1.636 5.058 4.699 1.00 0.00 C ATOM 1067 C LEU A 68 -1.765 3.556 4.921 1.00 0.00 C ATOM 1068 O LEU A 68 -2.590 3.106 5.718 1.00 0.00 O ATOM 1069 CB LEU A 68 -2.630 5.515 3.632 1.00 0.00 C ATOM 1070 CG LEU A 68 -2.696 7.026 3.395 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -3.637 7.346 2.243 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -3.143 7.746 4.658 1.00 0.00 C ATOM 0 H LEU A 68 -0.139 5.548 3.314 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.865 5.572 5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.375 5.028 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.624 5.165 3.913 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.697 7.375 3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.671 8.425 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.278 6.861 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.637 6.981 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.184 8.819 4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.132 7.391 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.434 7.545 5.461 1.00 0.00 H new ATOM 1084 N LEU A 69 -0.935 2.789 4.231 1.00 0.00 N ATOM 1085 CA LEU A 69 -0.961 1.341 4.353 1.00 0.00 C ATOM 1086 C LEU A 69 0.216 0.858 5.183 1.00 0.00 C ATOM 1087 O LEU A 69 1.315 1.399 5.084 1.00 0.00 O ATOM 1088 CB LEU A 69 -0.913 0.681 2.974 1.00 0.00 C ATOM 1089 CG LEU A 69 -2.127 0.930 2.080 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -1.897 0.335 0.700 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -3.384 0.349 2.710 1.00 0.00 C ATOM 0 H LEU A 69 -0.235 3.146 3.581 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.891 1.062 4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.023 1.033 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.799 -0.394 3.110 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.264 2.006 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.770 0.520 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.020 0.797 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.736 -0.739 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.238 0.536 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.260 -0.725 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.556 0.819 3.678 1.00 0.00 H new ATOM 1103 N THR A 70 -0.009 -0.136 6.024 1.00 0.00 N ATOM 1104 CA THR A 70 1.091 -0.785 6.703 1.00 0.00 C ATOM 1105 C THR A 70 1.544 -1.979 5.877 1.00 0.00 C ATOM 1106 O THR A 70 0.812 -2.960 5.716 1.00 0.00 O ATOM 1107 CB THR A 70 0.705 -1.244 8.117 1.00 0.00 C ATOM 1108 OG1 THR A 70 -0.001 -0.195 8.792 1.00 0.00 O ATOM 1109 CG2 THR A 70 1.945 -1.613 8.918 1.00 0.00 C ATOM 0 H THR A 70 -0.933 -0.506 6.249 1.00 0.00 H new ATOM 0 HA THR A 70 1.902 -0.064 6.807 1.00 0.00 H new ATOM 0 HB THR A 70 0.066 -2.123 8.031 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.247 -0.493 9.693 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.650 -1.936 9.917 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.474 -2.423 8.416 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.600 -0.745 8.995 1.00 0.00 H new ATOM 1117 N LEU A 71 2.747 -1.880 5.353 1.00 0.00 N ATOM 1118 CA LEU A 71 3.272 -2.885 4.450 1.00 0.00 C ATOM 1119 C LEU A 71 4.437 -3.616 5.085 1.00 0.00 C ATOM 1120 O LEU A 71 5.336 -3.001 5.662 1.00 0.00 O ATOM 1121 CB LEU A 71 3.728 -2.241 3.136 1.00 0.00 C ATOM 1122 CG LEU A 71 2.614 -1.661 2.268 1.00 0.00 C ATOM 1123 CD1 LEU A 71 3.191 -1.002 1.025 1.00 0.00 C ATOM 1124 CD2 LEU A 71 1.632 -2.747 1.878 1.00 0.00 C ATOM 0 H LEU A 71 3.386 -1.107 5.538 1.00 0.00 H new ATOM 0 HA LEU A 71 2.475 -3.599 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.436 -1.445 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.267 -2.988 2.553 1.00 0.00 H new ATOM 0 HG LEU A 71 2.087 -0.903 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.381 -0.595 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.864 -0.197 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.742 -1.741 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.843 -2.319 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.152 -3.524 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.193 -3.181 2.777 1.00 0.00 H new ATOM 1136 N VAL A 72 4.409 -4.928 4.982 1.00 0.00 N ATOM 1137 CA VAL A 72 5.509 -5.753 5.443 1.00 0.00 C ATOM 1138 C VAL A 72 5.912 -6.727 4.343 1.00 0.00 C ATOM 1139 O VAL A 72 5.061 -7.214 3.602 1.00 0.00 O ATOM 1140 CB VAL A 72 5.151 -6.532 6.732 1.00 0.00 C ATOM 1141 CG1 VAL A 72 5.005 -5.579 7.912 1.00 0.00 C ATOM 1142 CG2 VAL A 72 3.870 -7.333 6.538 1.00 0.00 C ATOM 0 H VAL A 72 3.631 -5.451 4.580 1.00 0.00 H new ATOM 0 HA VAL A 72 6.343 -5.093 5.681 1.00 0.00 H new ATOM 0 HB VAL A 72 5.964 -7.226 6.946 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.753 -6.146 8.808 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.944 -5.049 8.070 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.213 -4.860 7.703 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.636 -7.873 7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.051 -6.656 6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.005 -8.044 5.723 1.00 0.00 H new ATOM 1152 N PRO A 73 7.213 -6.993 4.183 1.00 0.00 N ATOM 1153 CA PRO A 73 7.687 -7.923 3.164 1.00 0.00 C ATOM 1154 C PRO A 73 7.267 -9.354 3.478 1.00 0.00 C ATOM 1155 O PRO A 73 6.869 -9.657 4.604 1.00 0.00 O ATOM 1156 CB PRO A 73 9.211 -7.782 3.222 1.00 0.00 C ATOM 1157 CG PRO A 73 9.499 -7.259 4.588 1.00 0.00 C ATOM 1158 CD PRO A 73 8.314 -6.414 4.971 1.00 0.00 C ATOM 0 HA PRO A 73 7.275 -7.704 2.179 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.703 -8.740 3.055 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.574 -7.099 2.454 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.640 -8.076 5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.416 -6.670 4.594 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.113 -6.466 6.041 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.474 -5.364 4.727 1.00 0.00 H new ATOM 1166 N LEU A 74 7.336 -10.218 2.476 1.00 0.00 N ATOM 1167 CA LEU A 74 7.055 -11.631 2.670 1.00 0.00 C ATOM 1168 C LEU A 74 8.000 -12.233 3.709 1.00 0.00 C ATOM 1169 O LEU A 74 7.568 -12.674 4.774 1.00 0.00 O ATOM 1170 CB LEU A 74 7.176 -12.384 1.341 1.00 0.00 C ATOM 1171 CG LEU A 74 6.193 -11.954 0.251 1.00 0.00 C ATOM 1172 CD1 LEU A 74 6.355 -12.827 -0.984 1.00 0.00 C ATOM 1173 CD2 LEU A 74 4.764 -12.019 0.765 1.00 0.00 C ATOM 0 H LEU A 74 7.584 -9.964 1.520 1.00 0.00 H new ATOM 0 HA LEU A 74 6.034 -11.730 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.190 -12.257 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.038 -13.448 1.532 1.00 0.00 H new ATOM 0 HG LEU A 74 6.412 -10.922 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.648 -12.508 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.372 -12.732 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.161 -13.867 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.079 -11.710 -0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.532 -13.040 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.655 -11.354 1.622 1.00 0.00 H new ATOM 1185 N ASP A 75 9.286 -12.233 3.400 1.00 0.00 N ATOM 1186 CA ASP A 75 10.294 -12.756 4.310 1.00 0.00 C ATOM 1187 C ASP A 75 11.569 -11.945 4.193 1.00 0.00 C ATOM 1188 O ASP A 75 12.247 -12.064 3.152 1.00 0.00 O ATOM 1189 CB ASP A 75 10.593 -14.230 4.025 1.00 0.00 C ATOM 1190 CG ASP A 75 9.569 -15.165 4.639 1.00 0.00 C ATOM 1191 OD1 ASP A 75 9.664 -15.443 5.855 1.00 0.00 O ATOM 1192 OD2 ASP A 75 8.668 -15.637 3.914 1.00 0.00 O ATOM 1193 OXT ASP A 75 11.896 -11.204 5.141 1.00 0.00 O ATOM 0 H ASP A 75 9.659 -11.875 2.521 1.00 0.00 H new ATOM 0 HA ASP A 75 9.902 -12.678 5.324 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.623 -14.388 2.947 1.00 0.00 H new ATOM 0 HB3 ASP A 75 11.582 -14.477 4.411 1.00 0.00 H new