USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 474 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 52 ASN : amide:sc= -0.629! C(o=-1.5!,f=-7.2!) USER MOD Set 1.2: A 62 MET CE :methyl -158:sc= -0.846 (180deg=-2.03!) USER MOD Set 2.1: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 70 MET CE :methyl 170:sc= -0.0779 (180deg=-0.31) USER MOD Single : A 7 THR OG1 : rot 60:sc= -5.82! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 152:sc= -0.701! (180deg=-2.98!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 88:sc= 1.12 USER MOD Single : A 69 SER OG : rot 15:sc= 0.358! USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -6.103 8.247 -5.490 1.00 0.00 N ATOM 110 CA THR A 7 -5.697 6.846 -5.178 1.00 0.00 C ATOM 111 C THR A 7 -6.311 6.413 -3.836 1.00 0.00 C ATOM 112 O THR A 7 -6.721 7.238 -3.043 1.00 0.00 O ATOM 113 CB THR A 7 -4.156 6.741 -5.143 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.750 5.549 -5.798 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.629 6.734 -3.701 1.00 0.00 C ATOM 0 HA THR A 7 -6.067 6.178 -5.956 1.00 0.00 H new ATOM 0 HB THR A 7 -3.743 7.611 -5.653 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.057 5.566 -6.728 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.542 6.659 -3.711 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.925 7.656 -3.201 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.046 5.881 -3.165 1.00 0.00 H new ATOM 123 N PRO A 8 -6.352 5.122 -3.639 1.00 0.00 N ATOM 124 CA PRO A 8 -6.904 4.509 -2.420 1.00 0.00 C ATOM 125 C PRO A 8 -5.853 4.534 -1.305 1.00 0.00 C ATOM 126 O PRO A 8 -4.739 4.968 -1.522 1.00 0.00 O ATOM 127 CB PRO A 8 -7.207 3.071 -2.861 1.00 0.00 C ATOM 128 CG PRO A 8 -6.312 2.786 -4.091 1.00 0.00 C ATOM 129 CD PRO A 8 -5.846 4.152 -4.627 1.00 0.00 C ATOM 0 HA PRO A 8 -7.781 5.022 -2.026 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.995 2.367 -2.057 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.261 2.958 -3.115 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.458 2.168 -3.813 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.866 2.240 -4.854 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.760 4.198 -4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.250 4.348 -5.620 1.00 0.00 H new ATOM 137 N PRO A 9 -6.231 4.060 -0.145 1.00 0.00 N ATOM 138 CA PRO A 9 -5.320 4.010 1.011 1.00 0.00 C ATOM 139 C PRO A 9 -4.257 2.929 0.800 1.00 0.00 C ATOM 140 O PRO A 9 -4.449 1.994 0.046 1.00 0.00 O ATOM 141 CB PRO A 9 -6.246 3.687 2.189 1.00 0.00 C ATOM 142 CG PRO A 9 -7.513 3.045 1.583 1.00 0.00 C ATOM 143 CD PRO A 9 -7.583 3.526 0.120 1.00 0.00 C ATOM 0 HA PRO A 9 -4.767 4.935 1.173 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.762 3.006 2.888 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.496 4.590 2.746 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.460 1.957 1.633 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.404 3.346 2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.829 2.709 -0.558 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.348 4.291 -0.013 1.00 0.00 H new ATOM 151 N ALA A 10 -3.130 3.064 1.443 1.00 0.00 N ATOM 152 CA ALA A 10 -2.032 2.066 1.271 1.00 0.00 C ATOM 153 C ALA A 10 -2.606 0.648 1.195 1.00 0.00 C ATOM 154 O ALA A 10 -2.457 -0.038 0.203 1.00 0.00 O ATOM 155 CB ALA A 10 -1.070 2.161 2.456 1.00 0.00 C ATOM 0 H ALA A 10 -2.919 3.828 2.085 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.501 2.282 0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.268 1.433 2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.646 3.164 2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.609 1.953 3.380 1.00 0.00 H new ATOM 161 N ALA A 11 -3.248 0.197 2.236 1.00 0.00 N ATOM 162 CA ALA A 11 -3.811 -1.182 2.219 1.00 0.00 C ATOM 163 C ALA A 11 -4.565 -1.431 0.907 1.00 0.00 C ATOM 164 O ALA A 11 -4.093 -2.134 0.035 1.00 0.00 O ATOM 165 CB ALA A 11 -4.768 -1.358 3.403 1.00 0.00 C ATOM 0 H ALA A 11 -3.407 0.722 3.096 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.994 -1.900 2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.180 -2.367 3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.226 -1.198 4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.579 -0.634 3.326 1.00 0.00 H new ATOM 171 N VAL A 12 -5.734 -0.872 0.763 1.00 0.00 N ATOM 172 CA VAL A 12 -6.516 -1.090 -0.488 1.00 0.00 C ATOM 173 C VAL A 12 -5.614 -0.880 -1.708 1.00 0.00 C ATOM 174 O VAL A 12 -5.682 -1.616 -2.672 1.00 0.00 O ATOM 175 CB VAL A 12 -7.683 -0.104 -0.543 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.400 -0.239 -1.888 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.664 -0.415 0.590 1.00 0.00 C ATOM 0 H VAL A 12 -6.182 -0.274 1.457 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.900 -2.110 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.307 0.913 -0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.232 0.463 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.702 -0.021 -2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.777 -1.256 -1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.497 0.287 0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.041 -1.432 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.154 -0.322 1.549 1.00 0.00 H new ATOM 187 N LEU A 13 -4.776 0.119 -1.677 1.00 0.00 N ATOM 188 CA LEU A 13 -3.879 0.371 -2.840 1.00 0.00 C ATOM 189 C LEU A 13 -3.016 -0.860 -3.097 1.00 0.00 C ATOM 190 O LEU A 13 -2.803 -1.262 -4.224 1.00 0.00 O ATOM 191 CB LEU A 13 -2.978 1.568 -2.543 1.00 0.00 C ATOM 192 CG LEU A 13 -2.679 2.314 -3.843 1.00 0.00 C ATOM 193 CD1 LEU A 13 -1.753 3.495 -3.553 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.998 1.363 -4.828 1.00 0.00 C ATOM 0 H LEU A 13 -4.673 0.770 -0.899 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.484 0.581 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.464 2.235 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.049 1.232 -2.082 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.610 2.681 -4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.540 4.027 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.237 4.172 -2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.821 3.129 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.784 1.893 -5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.067 0.997 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.658 0.520 -5.035 1.00 0.00 H new ATOM 206 N LEU A 14 -2.520 -1.459 -2.057 1.00 0.00 N ATOM 207 CA LEU A 14 -1.670 -2.670 -2.230 1.00 0.00 C ATOM 208 C LEU A 14 -2.536 -3.809 -2.766 1.00 0.00 C ATOM 209 O LEU A 14 -2.321 -4.301 -3.857 1.00 0.00 O ATOM 210 CB LEU A 14 -1.066 -3.068 -0.883 1.00 0.00 C ATOM 211 CG LEU A 14 0.298 -2.395 -0.715 1.00 0.00 C ATOM 212 CD1 LEU A 14 0.135 -0.877 -0.812 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.878 -2.758 0.655 1.00 0.00 C ATOM 0 H LEU A 14 -2.665 -1.164 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.863 -2.460 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.732 -2.772 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.958 -4.151 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 14 0.972 -2.738 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.107 -0.398 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.280 -0.617 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.538 -0.532 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.850 -2.280 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.203 -2.414 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.994 -3.839 0.726 1.00 0.00 H new ATOM 225 N LYS A 15 -3.524 -4.225 -2.021 1.00 0.00 N ATOM 226 CA LYS A 15 -4.404 -5.314 -2.512 1.00 0.00 C ATOM 227 C LYS A 15 -4.947 -4.903 -3.879 1.00 0.00 C ATOM 228 O LYS A 15 -5.286 -5.722 -4.701 1.00 0.00 O ATOM 229 CB LYS A 15 -5.564 -5.524 -1.534 1.00 0.00 C ATOM 230 CG LYS A 15 -5.100 -6.408 -0.375 1.00 0.00 C ATOM 231 CD LYS A 15 -5.848 -7.743 -0.418 1.00 0.00 C ATOM 232 CE LYS A 15 -6.357 -8.089 0.981 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.825 -7.835 1.055 1.00 0.00 N ATOM 0 H LYS A 15 -3.756 -3.858 -1.098 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.845 -6.246 -2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.913 -4.563 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.406 -5.990 -2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.026 -6.579 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.284 -5.906 0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.684 -7.681 -1.115 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.187 -8.530 -0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.146 -9.134 1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.836 -7.490 1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.171 -8.071 2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.014 -6.832 0.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.315 -8.425 0.353 1.00 0.00 H new ATOM 247 N LYS A 16 -5.022 -3.630 -4.136 1.00 0.00 N ATOM 248 CA LYS A 16 -5.521 -3.188 -5.459 1.00 0.00 C ATOM 249 C LYS A 16 -4.420 -3.381 -6.493 1.00 0.00 C ATOM 250 O LYS A 16 -4.616 -3.980 -7.533 1.00 0.00 O ATOM 251 CB LYS A 16 -5.936 -1.716 -5.403 1.00 0.00 C ATOM 252 CG LYS A 16 -6.241 -1.218 -6.817 1.00 0.00 C ATOM 253 CD LYS A 16 -5.297 -0.066 -7.168 1.00 0.00 C ATOM 254 CE LYS A 16 -5.116 0.000 -8.685 1.00 0.00 C ATOM 255 NZ LYS A 16 -5.050 1.425 -9.117 1.00 0.00 N ATOM 0 H LYS A 16 -4.761 -2.883 -3.492 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.393 -3.781 -5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.814 -1.598 -4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.139 -1.119 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.122 -2.031 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.277 -0.885 -6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.702 0.876 -6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.332 -0.211 -6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.204 -0.522 -8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.944 -0.504 -9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.927 1.470 -10.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.931 1.909 -8.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.245 1.892 -8.652 1.00 0.00 H new ATOM 269 N ALA A 17 -3.263 -2.881 -6.202 1.00 0.00 N ATOM 270 CA ALA A 17 -2.123 -3.026 -7.148 1.00 0.00 C ATOM 271 C ALA A 17 -1.785 -4.509 -7.316 1.00 0.00 C ATOM 272 O ALA A 17 -2.024 -5.099 -8.350 1.00 0.00 O ATOM 273 CB ALA A 17 -0.903 -2.285 -6.597 1.00 0.00 C ATOM 0 H ALA A 17 -3.050 -2.373 -5.344 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.398 -2.603 -8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.069 -2.392 -7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.142 -1.228 -6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.627 -2.706 -5.630 1.00 0.00 H new ATOM 279 N ALA A 18 -1.224 -5.116 -6.304 1.00 0.00 N ATOM 280 CA ALA A 18 -0.865 -6.554 -6.400 1.00 0.00 C ATOM 281 C ALA A 18 -2.101 -7.420 -6.168 1.00 0.00 C ATOM 282 O ALA A 18 -2.324 -8.397 -6.853 1.00 0.00 O ATOM 283 CB ALA A 18 0.186 -6.880 -5.338 1.00 0.00 C ATOM 0 H ALA A 18 -1.000 -4.673 -5.413 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.468 -6.759 -7.394 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.454 -7.935 -5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.073 -6.269 -5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.219 -6.669 -4.348 1.00 0.00 H new ATOM 289 N GLY A 19 -2.897 -7.083 -5.187 1.00 0.00 N ATOM 290 CA GLY A 19 -4.108 -7.898 -4.888 1.00 0.00 C ATOM 291 C GLY A 19 -3.748 -9.385 -4.791 1.00 0.00 C ATOM 292 O GLY A 19 -4.619 -10.229 -4.777 1.00 0.00 O ATOM 0 H GLY A 19 -2.759 -6.276 -4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.555 -7.565 -3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.855 -7.749 -5.668 1.00 0.00 H new ATOM 447 N LYS A 31 -0.708 -11.841 6.728 1.00 0.00 N ATOM 448 CA LYS A 31 0.432 -11.855 5.765 1.00 0.00 C ATOM 449 C LYS A 31 0.118 -12.809 4.611 1.00 0.00 C ATOM 450 O LYS A 31 0.514 -13.958 4.620 1.00 0.00 O ATOM 451 CB LYS A 31 1.706 -12.325 6.475 1.00 0.00 C ATOM 452 CG LYS A 31 1.638 -11.969 7.964 1.00 0.00 C ATOM 453 CD LYS A 31 2.974 -12.310 8.629 1.00 0.00 C ATOM 454 CE LYS A 31 2.924 -11.929 10.110 1.00 0.00 C ATOM 455 NZ LYS A 31 3.334 -13.098 10.936 1.00 0.00 N ATOM 0 HA LYS A 31 0.583 -10.847 5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.823 -13.402 6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.579 -11.857 6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.419 -10.908 8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.829 -12.519 8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.182 -13.375 8.524 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.785 -11.776 8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.586 -11.084 10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.917 -11.613 10.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.300 -12.840 11.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.686 -13.892 10.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.303 -13.379 10.683 1.00 0.00 H new ATOM 469 N VAL A 32 -0.584 -12.345 3.610 1.00 0.00 N ATOM 470 CA VAL A 32 -0.912 -13.235 2.461 1.00 0.00 C ATOM 471 C VAL A 32 -0.361 -12.631 1.167 1.00 0.00 C ATOM 472 O VAL A 32 -0.492 -13.199 0.100 1.00 0.00 O ATOM 473 CB VAL A 32 -2.429 -13.402 2.351 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.953 -14.126 3.593 1.00 0.00 C ATOM 475 CG2 VAL A 32 -3.091 -12.026 2.246 1.00 0.00 C ATOM 0 H VAL A 32 -0.942 -11.393 3.540 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.457 -14.212 2.623 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.665 -13.986 1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.034 -14.245 3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.484 -15.107 3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.715 -13.542 4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.171 -12.147 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.855 -11.440 3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.719 -11.510 1.361 1.00 0.00 H new ATOM 485 N ALA A 33 0.262 -11.491 1.252 1.00 0.00 N ATOM 486 CA ALA A 33 0.832 -10.855 0.028 1.00 0.00 C ATOM 487 C ALA A 33 2.250 -10.369 0.326 1.00 0.00 C ATOM 488 O ALA A 33 2.513 -9.794 1.360 1.00 0.00 O ATOM 489 CB ALA A 33 -0.035 -9.665 -0.394 1.00 0.00 C ATOM 0 H ALA A 33 0.403 -10.969 2.117 1.00 0.00 H new ATOM 0 HA ALA A 33 0.854 -11.586 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.387 -9.206 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.047 -10.009 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.063 -8.931 0.412 1.00 0.00 H new ATOM 495 N THR A 34 3.166 -10.595 -0.572 1.00 0.00 N ATOM 496 CA THR A 34 4.563 -10.139 -0.329 1.00 0.00 C ATOM 497 C THR A 34 5.165 -9.620 -1.635 1.00 0.00 C ATOM 498 O THR A 34 5.235 -10.324 -2.623 1.00 0.00 O ATOM 499 CB THR A 34 5.402 -11.306 0.194 1.00 0.00 C ATOM 500 OG1 THR A 34 4.773 -11.864 1.339 1.00 0.00 O ATOM 501 CG2 THR A 34 6.799 -10.809 0.568 1.00 0.00 C ATOM 0 H THR A 34 3.010 -11.073 -1.459 1.00 0.00 H new ATOM 0 HA THR A 34 4.558 -9.339 0.411 1.00 0.00 H new ATOM 0 HB THR A 34 5.487 -12.067 -0.582 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.309 -12.613 1.674 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.394 -11.643 0.940 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.281 -10.383 -0.312 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.719 -10.046 1.343 1.00 0.00 H new ATOM 509 N ILE A 35 5.611 -8.397 -1.642 1.00 0.00 N ATOM 510 CA ILE A 35 6.223 -7.829 -2.877 1.00 0.00 C ATOM 511 C ILE A 35 7.466 -7.040 -2.484 1.00 0.00 C ATOM 512 O ILE A 35 7.645 -6.686 -1.338 1.00 0.00 O ATOM 513 CB ILE A 35 5.230 -6.895 -3.574 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.352 -6.209 -2.525 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.345 -7.704 -4.525 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.183 -5.505 -3.218 1.00 0.00 C ATOM 0 H ILE A 35 5.579 -7.763 -0.844 1.00 0.00 H new ATOM 0 HA ILE A 35 6.486 -8.637 -3.560 1.00 0.00 H new ATOM 0 HB ILE A 35 5.779 -6.142 -4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.977 -6.944 -1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.941 -5.487 -1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.639 -7.038 -5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.968 -8.194 -5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.797 -8.458 -3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.558 -5.016 -2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.568 -4.759 -3.913 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.589 -6.238 -3.765 1.00 0.00 H new ATOM 528 N LYS A 36 8.330 -6.759 -3.412 1.00 0.00 N ATOM 529 CA LYS A 36 9.550 -5.992 -3.058 1.00 0.00 C ATOM 530 C LYS A 36 9.211 -4.504 -3.022 1.00 0.00 C ATOM 531 O LYS A 36 8.115 -4.099 -3.356 1.00 0.00 O ATOM 532 CB LYS A 36 10.641 -6.248 -4.100 1.00 0.00 C ATOM 533 CG LYS A 36 11.384 -7.539 -3.756 1.00 0.00 C ATOM 534 CD LYS A 36 12.683 -7.614 -4.562 1.00 0.00 C ATOM 535 CE LYS A 36 12.764 -8.964 -5.275 1.00 0.00 C ATOM 536 NZ LYS A 36 14.153 -9.185 -5.769 1.00 0.00 N ATOM 0 H LYS A 36 8.246 -7.025 -4.393 1.00 0.00 H new ATOM 0 HA LYS A 36 9.912 -6.309 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.199 -6.324 -5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.338 -5.411 -4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.604 -7.571 -2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.756 -8.402 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.719 -6.804 -5.290 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.541 -7.488 -3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.478 -9.765 -4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.062 -8.989 -6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.207 -10.104 -6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.410 -8.427 -6.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.813 -9.179 -4.965 1.00 0.00 H new ATOM 550 N ARG A 37 10.139 -3.684 -2.617 1.00 0.00 N ATOM 551 CA ARG A 37 9.859 -2.225 -2.558 1.00 0.00 C ATOM 552 C ARG A 37 9.400 -1.736 -3.930 1.00 0.00 C ATOM 553 O ARG A 37 8.823 -0.680 -4.058 1.00 0.00 O ATOM 554 CB ARG A 37 11.128 -1.476 -2.145 1.00 0.00 C ATOM 555 CG ARG A 37 12.326 -2.035 -2.915 1.00 0.00 C ATOM 556 CD ARG A 37 13.463 -1.010 -2.909 1.00 0.00 C ATOM 557 NE ARG A 37 14.694 -1.639 -2.352 1.00 0.00 N ATOM 558 CZ ARG A 37 15.870 -1.200 -2.709 1.00 0.00 C ATOM 559 NH1 ARG A 37 16.281 -0.030 -2.307 1.00 0.00 N ATOM 560 NH2 ARG A 37 16.638 -1.933 -3.469 1.00 0.00 N ATOM 0 H ARG A 37 11.076 -3.961 -2.325 1.00 0.00 H new ATOM 0 HA ARG A 37 9.074 -2.037 -1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.017 -0.411 -2.349 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.291 -1.580 -1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.661 -2.967 -2.460 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.037 -2.266 -3.940 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.650 -0.652 -3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.182 -0.143 -2.311 1.00 0.00 H new ATOM 0 HE ARG A 37 14.617 -2.413 -1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.683 0.544 -1.712 1.00 0.00 H new ATOM 0 HH12 ARG A 37 17.200 0.311 -2.587 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.319 -2.849 -3.784 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.557 -1.589 -3.748 1.00 0.00 H new ATOM 574 N ASP A 38 9.655 -2.496 -4.953 1.00 0.00 N ATOM 575 CA ASP A 38 9.242 -2.076 -6.324 1.00 0.00 C ATOM 576 C ASP A 38 7.737 -1.786 -6.351 1.00 0.00 C ATOM 577 O ASP A 38 7.287 -0.856 -6.995 1.00 0.00 O ATOM 578 CB ASP A 38 9.559 -3.197 -7.314 1.00 0.00 C ATOM 579 CG ASP A 38 9.776 -2.604 -8.708 1.00 0.00 C ATOM 580 OD1 ASP A 38 10.154 -1.446 -8.784 1.00 0.00 O ATOM 581 OD2 ASP A 38 9.562 -3.315 -9.674 1.00 0.00 O ATOM 0 H ASP A 38 10.134 -3.395 -4.902 1.00 0.00 H new ATOM 0 HA ASP A 38 9.786 -1.173 -6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.450 -3.737 -6.995 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.741 -3.917 -7.337 1.00 0.00 H new ATOM 586 N LYS A 39 6.955 -2.572 -5.666 1.00 0.00 N ATOM 587 CA LYS A 39 5.483 -2.341 -5.665 1.00 0.00 C ATOM 588 C LYS A 39 5.133 -1.236 -4.681 1.00 0.00 C ATOM 589 O LYS A 39 4.492 -0.262 -5.029 1.00 0.00 O ATOM 590 CB LYS A 39 4.785 -3.615 -5.225 1.00 0.00 C ATOM 591 CG LYS A 39 4.525 -4.508 -6.440 1.00 0.00 C ATOM 592 CD LYS A 39 5.854 -4.868 -7.105 1.00 0.00 C ATOM 593 CE LYS A 39 5.780 -6.291 -7.663 1.00 0.00 C ATOM 594 NZ LYS A 39 7.018 -6.585 -8.440 1.00 0.00 N ATOM 0 H LYS A 39 7.271 -3.364 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 39 5.164 -2.055 -6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.400 -4.145 -4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.844 -3.373 -4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.003 -5.414 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.879 -3.993 -7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.074 -4.163 -7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.666 -4.792 -6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.670 -7.007 -6.849 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.903 -6.398 -8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.968 -7.552 -8.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.104 -5.909 -9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.847 -6.500 -7.818 1.00 0.00 H new ATOM 608 N VAL A 40 5.551 -1.366 -3.456 1.00 0.00 N ATOM 609 CA VAL A 40 5.240 -0.307 -2.468 1.00 0.00 C ATOM 610 C VAL A 40 5.961 0.963 -2.903 1.00 0.00 C ATOM 611 O VAL A 40 5.670 2.047 -2.440 1.00 0.00 O ATOM 612 CB VAL A 40 5.728 -0.736 -1.084 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.229 0.258 -0.037 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.181 -2.129 -0.766 1.00 0.00 C ATOM 0 H VAL A 40 6.091 -2.155 -3.100 1.00 0.00 H new ATOM 0 HA VAL A 40 4.165 -0.133 -2.417 1.00 0.00 H new ATOM 0 HB VAL A 40 6.818 -0.759 -1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.577 -0.048 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.614 1.252 -0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.139 0.280 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.526 -2.439 0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.091 -2.103 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.535 -2.838 -1.514 1.00 0.00 H new ATOM 624 N ARG A 41 6.884 0.834 -3.817 1.00 0.00 N ATOM 625 CA ARG A 41 7.606 2.041 -4.314 1.00 0.00 C ATOM 626 C ARG A 41 6.668 2.818 -5.233 1.00 0.00 C ATOM 627 O ARG A 41 6.368 3.972 -5.004 1.00 0.00 O ATOM 628 CB ARG A 41 8.856 1.628 -5.094 1.00 0.00 C ATOM 629 CG ARG A 41 9.430 2.843 -5.824 1.00 0.00 C ATOM 630 CD ARG A 41 10.856 2.536 -6.284 1.00 0.00 C ATOM 631 NE ARG A 41 11.811 2.848 -5.184 1.00 0.00 N ATOM 632 CZ ARG A 41 12.943 3.438 -5.451 1.00 0.00 C ATOM 633 NH1 ARG A 41 12.949 4.603 -6.039 1.00 0.00 N ATOM 634 NH2 ARG A 41 14.069 2.864 -5.130 1.00 0.00 N ATOM 0 H ARG A 41 7.169 -0.050 -4.239 1.00 0.00 H new ATOM 0 HA ARG A 41 7.912 2.659 -3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.601 1.214 -4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.608 0.845 -5.810 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.806 3.093 -6.682 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.428 3.711 -5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.940 1.487 -6.566 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.099 3.125 -7.169 1.00 0.00 H new ATOM 0 HE ARG A 41 11.580 2.600 -4.222 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.068 5.052 -6.290 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.834 5.064 -6.248 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.064 1.954 -4.670 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.954 3.325 -5.339 1.00 0.00 H new ATOM 648 N GLU A 42 6.190 2.183 -6.269 1.00 0.00 N ATOM 649 CA GLU A 42 5.255 2.873 -7.198 1.00 0.00 C ATOM 650 C GLU A 42 4.016 3.285 -6.413 1.00 0.00 C ATOM 651 O GLU A 42 3.617 4.433 -6.406 1.00 0.00 O ATOM 652 CB GLU A 42 4.855 1.924 -8.328 1.00 0.00 C ATOM 653 CG GLU A 42 5.876 2.022 -9.464 1.00 0.00 C ATOM 654 CD GLU A 42 5.143 2.066 -10.806 1.00 0.00 C ATOM 655 OE1 GLU A 42 4.689 1.022 -11.243 1.00 0.00 O ATOM 656 OE2 GLU A 42 5.047 3.143 -11.370 1.00 0.00 O ATOM 0 H GLU A 42 6.408 1.216 -6.511 1.00 0.00 H new ATOM 0 HA GLU A 42 5.736 3.751 -7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.806 0.900 -7.957 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.861 2.178 -8.696 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.487 2.916 -9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.552 1.167 -9.435 1.00 0.00 H new ATOM 663 N ILE A 43 3.409 2.348 -5.740 1.00 0.00 N ATOM 664 CA ILE A 43 2.198 2.667 -4.936 1.00 0.00 C ATOM 665 C ILE A 43 2.474 3.922 -4.101 1.00 0.00 C ATOM 666 O ILE A 43 1.691 4.847 -4.078 1.00 0.00 O ATOM 667 CB ILE A 43 1.885 1.464 -4.032 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.009 0.474 -4.801 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.142 1.915 -2.767 1.00 0.00 C ATOM 670 CD1 ILE A 43 1.893 -0.572 -5.482 1.00 0.00 C ATOM 0 H ILE A 43 3.701 1.371 -5.713 1.00 0.00 H new ATOM 0 HA ILE A 43 1.340 2.860 -5.580 1.00 0.00 H new ATOM 0 HB ILE A 43 2.823 0.992 -3.739 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.310 -0.013 -4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.414 1.002 -5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.930 1.048 -2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.762 2.620 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.206 2.398 -3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.267 -1.277 -6.029 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.574 -0.078 -6.175 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.469 -1.108 -4.728 1.00 0.00 H new ATOM 682 N ALA A 44 3.587 3.973 -3.427 1.00 0.00 N ATOM 683 CA ALA A 44 3.894 5.189 -2.630 1.00 0.00 C ATOM 684 C ALA A 44 4.069 6.355 -3.603 1.00 0.00 C ATOM 685 O ALA A 44 3.679 7.473 -3.336 1.00 0.00 O ATOM 686 CB ALA A 44 5.186 4.976 -1.838 1.00 0.00 C ATOM 0 H ALA A 44 4.290 3.234 -3.393 1.00 0.00 H new ATOM 0 HA ALA A 44 3.087 5.398 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.407 5.870 -1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.065 4.126 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.007 4.780 -2.527 1.00 0.00 H new ATOM 692 N GLU A 45 4.656 6.086 -4.740 1.00 0.00 N ATOM 693 CA GLU A 45 4.866 7.156 -5.755 1.00 0.00 C ATOM 694 C GLU A 45 3.520 7.697 -6.235 1.00 0.00 C ATOM 695 O GLU A 45 3.279 8.887 -6.222 1.00 0.00 O ATOM 696 CB GLU A 45 5.640 6.580 -6.944 1.00 0.00 C ATOM 697 CG GLU A 45 6.642 7.617 -7.455 1.00 0.00 C ATOM 698 CD GLU A 45 6.287 8.010 -8.890 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.713 7.312 -9.796 1.00 0.00 O ATOM 700 OE2 GLU A 45 5.598 9.002 -9.060 1.00 0.00 O ATOM 0 H GLU A 45 5.000 5.164 -5.009 1.00 0.00 H new ATOM 0 HA GLU A 45 5.434 7.970 -5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.162 5.671 -6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.950 6.303 -7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.629 8.497 -6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.653 7.210 -7.418 1.00 0.00 H new ATOM 707 N LEU A 46 2.647 6.835 -6.666 1.00 0.00 N ATOM 708 CA LEU A 46 1.317 7.308 -7.155 1.00 0.00 C ATOM 709 C LEU A 46 0.536 7.923 -5.992 1.00 0.00 C ATOM 710 O LEU A 46 -0.048 8.980 -6.116 1.00 0.00 O ATOM 711 CB LEU A 46 0.533 6.137 -7.764 1.00 0.00 C ATOM 712 CG LEU A 46 0.236 5.085 -6.697 1.00 0.00 C ATOM 713 CD1 LEU A 46 -1.056 5.446 -5.962 1.00 0.00 C ATOM 714 CD2 LEU A 46 0.068 3.720 -7.370 1.00 0.00 C ATOM 0 H LEU A 46 2.792 5.826 -6.703 1.00 0.00 H new ATOM 0 HA LEU A 46 1.463 8.064 -7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.400 6.500 -8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.107 5.690 -8.576 1.00 0.00 H new ATOM 0 HG LEU A 46 1.060 5.049 -5.984 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.265 4.693 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.944 6.421 -5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.881 5.482 -6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.144 2.965 -6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.758 3.764 -8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.986 3.458 -7.896 1.00 0.00 H new ATOM 726 N LYS A 47 0.523 7.274 -4.862 1.00 0.00 N ATOM 727 CA LYS A 47 -0.213 7.828 -3.692 1.00 0.00 C ATOM 728 C LYS A 47 0.629 8.923 -3.025 1.00 0.00 C ATOM 729 O LYS A 47 0.245 9.489 -2.019 1.00 0.00 O ATOM 730 CB LYS A 47 -0.495 6.704 -2.695 1.00 0.00 C ATOM 731 CG LYS A 47 -1.084 7.289 -1.411 1.00 0.00 C ATOM 732 CD LYS A 47 -1.989 6.251 -0.749 1.00 0.00 C ATOM 733 CE LYS A 47 -2.621 6.848 0.509 1.00 0.00 C ATOM 734 NZ LYS A 47 -4.095 6.968 0.315 1.00 0.00 N ATOM 0 H LYS A 47 0.991 6.383 -4.698 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.157 8.261 -4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.189 5.985 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.425 6.164 -2.471 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.284 7.578 -0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.652 8.192 -1.637 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.767 5.936 -1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.412 5.362 -0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.407 6.217 1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.190 7.827 0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.573 6.907 1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.313 7.883 -0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.428 6.198 -0.299 1.00 0.00 H new ATOM 748 N MET A 48 1.778 9.224 -3.574 1.00 0.00 N ATOM 749 CA MET A 48 2.646 10.277 -2.969 1.00 0.00 C ATOM 750 C MET A 48 2.029 11.660 -3.202 1.00 0.00 C ATOM 751 O MET A 48 1.782 12.386 -2.260 1.00 0.00 O ATOM 752 CB MET A 48 4.036 10.226 -3.606 1.00 0.00 C ATOM 753 CG MET A 48 5.091 10.053 -2.511 1.00 0.00 C ATOM 754 SD MET A 48 6.499 11.138 -2.854 1.00 0.00 S ATOM 755 CE MET A 48 6.931 11.506 -1.135 1.00 0.00 C ATOM 0 H MET A 48 2.152 8.785 -4.415 1.00 0.00 H new ATOM 0 HA MET A 48 2.729 10.097 -1.897 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.093 9.400 -4.315 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.225 11.141 -4.167 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.663 10.292 -1.537 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.420 9.015 -2.469 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.792 12.174 -1.111 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.086 11.986 -0.642 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.176 10.580 -0.615 1.00 0.00 H new ATOM 765 N PRO A 49 1.787 11.983 -4.448 1.00 0.00 N ATOM 766 CA PRO A 49 1.186 13.274 -4.820 1.00 0.00 C ATOM 767 C PRO A 49 -0.288 13.280 -4.420 1.00 0.00 C ATOM 768 O PRO A 49 -1.177 13.313 -5.248 1.00 0.00 O ATOM 769 CB PRO A 49 1.370 13.342 -6.339 1.00 0.00 C ATOM 770 CG PRO A 49 1.564 11.885 -6.814 1.00 0.00 C ATOM 771 CD PRO A 49 2.073 11.095 -5.592 1.00 0.00 C ATOM 0 HA PRO A 49 1.639 14.133 -4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.501 13.795 -6.817 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.233 13.955 -6.600 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.627 11.469 -7.183 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.280 11.836 -7.634 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.560 10.139 -5.493 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.138 10.878 -5.672 1.00 0.00 H new ATOM 779 N ASP A 50 -0.538 13.235 -3.144 1.00 0.00 N ATOM 780 CA ASP A 50 -1.935 13.220 -2.637 1.00 0.00 C ATOM 781 C ASP A 50 -1.904 12.734 -1.186 1.00 0.00 C ATOM 782 O ASP A 50 -2.746 13.077 -0.380 1.00 0.00 O ATOM 783 CB ASP A 50 -2.778 12.268 -3.496 1.00 0.00 C ATOM 784 CG ASP A 50 -4.015 11.811 -2.715 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.818 12.660 -2.369 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.132 10.623 -2.472 1.00 0.00 O ATOM 0 H ASP A 50 0.179 13.208 -2.419 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.376 14.216 -2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.083 12.768 -4.415 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.182 11.403 -3.787 1.00 0.00 H new ATOM 791 N LEU A 51 -0.925 11.936 -0.854 1.00 0.00 N ATOM 792 CA LEU A 51 -0.809 11.417 0.537 1.00 0.00 C ATOM 793 C LEU A 51 0.093 12.350 1.347 1.00 0.00 C ATOM 794 O LEU A 51 1.051 12.896 0.836 1.00 0.00 O ATOM 795 CB LEU A 51 -0.190 10.019 0.501 1.00 0.00 C ATOM 796 CG LEU A 51 -0.135 9.448 1.919 1.00 0.00 C ATOM 797 CD1 LEU A 51 -1.558 9.248 2.443 1.00 0.00 C ATOM 798 CD2 LEU A 51 0.594 8.102 1.896 1.00 0.00 C ATOM 0 H LEU A 51 -0.196 11.620 -1.493 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.796 11.369 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.779 9.366 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.813 10.065 0.077 1.00 0.00 H new ATOM 0 HG LEU A 51 0.398 10.140 2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.520 8.841 3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.079 10.206 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.091 8.555 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.635 7.693 2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.060 7.410 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.608 8.244 1.521 1.00 0.00 H new ATOM 810 N ASN A 52 -0.195 12.538 2.605 1.00 0.00 N ATOM 811 CA ASN A 52 0.659 13.434 3.430 1.00 0.00 C ATOM 812 C ASN A 52 2.113 12.969 3.328 1.00 0.00 C ATOM 813 O ASN A 52 2.979 13.700 2.888 1.00 0.00 O ATOM 814 CB ASN A 52 0.200 13.389 4.890 1.00 0.00 C ATOM 815 CG ASN A 52 -0.186 11.956 5.263 1.00 0.00 C ATOM 816 OD1 ASN A 52 -1.061 11.372 4.656 1.00 0.00 O ATOM 817 ND2 ASN A 52 0.438 11.362 6.242 1.00 0.00 N ATOM 0 H ASN A 52 -0.982 12.112 3.095 1.00 0.00 H new ATOM 0 HA ASN A 52 0.575 14.458 3.066 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.997 13.743 5.543 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.651 14.055 5.035 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.191 10.406 6.499 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.173 11.853 6.751 1.00 0.00 H new ATOM 824 N ALA A 53 2.378 11.754 3.718 1.00 0.00 N ATOM 825 CA ALA A 53 3.768 11.218 3.639 1.00 0.00 C ATOM 826 C ALA A 53 4.771 12.302 4.045 1.00 0.00 C ATOM 827 O ALA A 53 4.438 13.241 4.739 1.00 0.00 O ATOM 828 CB ALA A 53 4.057 10.776 2.203 1.00 0.00 C ATOM 0 H ALA A 53 1.687 11.103 4.091 1.00 0.00 H new ATOM 0 HA ALA A 53 3.864 10.369 4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.072 10.384 2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.349 10.000 1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.956 11.629 1.532 1.00 0.00 H new ATOM 834 N ALA A 54 5.995 12.176 3.610 1.00 0.00 N ATOM 835 CA ALA A 54 7.023 13.197 3.964 1.00 0.00 C ATOM 836 C ALA A 54 8.273 12.969 3.111 1.00 0.00 C ATOM 837 O ALA A 54 8.933 13.901 2.697 1.00 0.00 O ATOM 838 CB ALA A 54 7.389 13.065 5.442 1.00 0.00 C ATOM 0 H ALA A 54 6.328 11.410 3.025 1.00 0.00 H new ATOM 0 HA ALA A 54 6.625 14.194 3.777 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.140 13.812 5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.499 13.220 6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.789 12.069 5.630 1.00 0.00 H new ATOM 844 N SER A 55 8.600 11.736 2.846 1.00 0.00 N ATOM 845 CA SER A 55 9.801 11.439 2.024 1.00 0.00 C ATOM 846 C SER A 55 9.649 10.047 1.412 1.00 0.00 C ATOM 847 O SER A 55 8.904 9.224 1.904 1.00 0.00 O ATOM 848 CB SER A 55 11.048 11.478 2.908 1.00 0.00 C ATOM 849 OG SER A 55 12.044 12.274 2.280 1.00 0.00 O ATOM 0 H SER A 55 8.083 10.917 3.166 1.00 0.00 H new ATOM 0 HA SER A 55 9.901 12.181 1.232 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.801 11.889 3.887 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.423 10.468 3.072 1.00 0.00 H new ATOM 0 HG SER A 55 12.844 12.303 2.845 1.00 0.00 H new ATOM 855 N ILE A 56 10.347 9.779 0.346 1.00 0.00 N ATOM 856 CA ILE A 56 10.245 8.438 -0.299 1.00 0.00 C ATOM 857 C ILE A 56 10.232 7.355 0.782 1.00 0.00 C ATOM 858 O ILE A 56 9.193 6.839 1.143 1.00 0.00 O ATOM 859 CB ILE A 56 11.445 8.223 -1.222 1.00 0.00 C ATOM 860 CG1 ILE A 56 11.342 9.173 -2.418 1.00 0.00 C ATOM 861 CG2 ILE A 56 11.458 6.777 -1.718 1.00 0.00 C ATOM 862 CD1 ILE A 56 10.227 8.699 -3.354 1.00 0.00 C ATOM 0 H ILE A 56 10.986 10.431 -0.109 1.00 0.00 H new ATOM 0 HA ILE A 56 9.325 8.383 -0.882 1.00 0.00 H new ATOM 0 HB ILE A 56 12.365 8.425 -0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.136 10.186 -2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.291 9.205 -2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 56 12.314 6.626 -2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.531 6.101 -0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.538 6.572 -2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.154 9.376 -4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.452 7.693 -3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.279 8.690 -2.816 1.00 0.00 H new ATOM 874 N GLU A 57 11.375 7.013 1.305 1.00 0.00 N ATOM 875 CA GLU A 57 11.424 5.968 2.366 1.00 0.00 C ATOM 876 C GLU A 57 10.452 6.332 3.492 1.00 0.00 C ATOM 877 O GLU A 57 9.984 5.478 4.218 1.00 0.00 O ATOM 878 CB GLU A 57 12.846 5.879 2.926 1.00 0.00 C ATOM 879 CG GLU A 57 13.333 7.277 3.308 1.00 0.00 C ATOM 880 CD GLU A 57 14.762 7.192 3.848 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.950 6.554 4.872 1.00 0.00 O ATOM 882 OE2 GLU A 57 15.643 7.764 3.230 1.00 0.00 O ATOM 0 H GLU A 57 12.277 7.411 1.045 1.00 0.00 H new ATOM 0 HA GLU A 57 11.139 5.006 1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.864 5.225 3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.513 5.440 2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.300 7.935 2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.674 7.710 4.061 1.00 0.00 H new ATOM 889 N ALA A 58 10.145 7.592 3.641 1.00 0.00 N ATOM 890 CA ALA A 58 9.203 8.007 4.722 1.00 0.00 C ATOM 891 C ALA A 58 7.813 7.438 4.428 1.00 0.00 C ATOM 892 O ALA A 58 7.195 6.809 5.271 1.00 0.00 O ATOM 893 CB ALA A 58 9.129 9.535 4.779 1.00 0.00 C ATOM 0 H ALA A 58 10.504 8.351 3.063 1.00 0.00 H new ATOM 0 HA ALA A 58 9.558 7.627 5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.441 9.837 5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.120 9.940 4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.774 9.918 3.822 1.00 0.00 H new ATOM 899 N ALA A 59 7.316 7.646 3.240 1.00 0.00 N ATOM 900 CA ALA A 59 5.974 7.106 2.900 1.00 0.00 C ATOM 901 C ALA A 59 6.006 5.593 3.083 1.00 0.00 C ATOM 902 O ALA A 59 5.056 4.984 3.534 1.00 0.00 O ATOM 903 CB ALA A 59 5.633 7.444 1.448 1.00 0.00 C ATOM 0 H ALA A 59 7.780 8.164 2.494 1.00 0.00 H new ATOM 0 HA ALA A 59 5.217 7.547 3.549 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.648 7.046 1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.630 8.526 1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.378 7.001 0.787 1.00 0.00 H new ATOM 909 N MET A 60 7.109 4.991 2.745 1.00 0.00 N ATOM 910 CA MET A 60 7.249 3.519 2.902 1.00 0.00 C ATOM 911 C MET A 60 7.102 3.164 4.380 1.00 0.00 C ATOM 912 O MET A 60 6.536 2.148 4.733 1.00 0.00 O ATOM 913 CB MET A 60 8.631 3.085 2.406 1.00 0.00 C ATOM 914 CG MET A 60 8.473 2.163 1.197 1.00 0.00 C ATOM 915 SD MET A 60 9.023 0.495 1.633 1.00 0.00 S ATOM 916 CE MET A 60 10.658 0.586 0.865 1.00 0.00 C ATOM 0 H MET A 60 7.929 5.461 2.362 1.00 0.00 H new ATOM 0 HA MET A 60 6.481 3.008 2.322 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.223 3.959 2.135 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.169 2.570 3.202 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.431 2.142 0.876 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.057 2.542 0.358 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.184 -0.357 1.015 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.548 0.774 -0.203 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.229 1.396 1.319 1.00 0.00 H new ATOM 926 N ARG A 61 7.603 3.999 5.251 1.00 0.00 N ATOM 927 CA ARG A 61 7.481 3.712 6.705 1.00 0.00 C ATOM 928 C ARG A 61 6.001 3.598 7.061 1.00 0.00 C ATOM 929 O ARG A 61 5.543 2.578 7.538 1.00 0.00 O ATOM 930 CB ARG A 61 8.114 4.850 7.510 1.00 0.00 C ATOM 931 CG ARG A 61 8.478 4.345 8.909 1.00 0.00 C ATOM 932 CD ARG A 61 7.263 4.473 9.832 1.00 0.00 C ATOM 933 NE ARG A 61 7.642 4.066 11.214 1.00 0.00 N ATOM 934 CZ ARG A 61 6.995 4.552 12.238 1.00 0.00 C ATOM 935 NH1 ARG A 61 5.694 4.651 12.202 1.00 0.00 N ATOM 936 NH2 ARG A 61 7.648 4.935 13.300 1.00 0.00 N ATOM 0 H ARG A 61 8.090 4.864 5.017 1.00 0.00 H new ATOM 0 HA ARG A 61 7.994 2.780 6.942 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.005 5.218 7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.420 5.688 7.583 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.802 3.305 8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.313 4.920 9.309 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.899 5.501 9.831 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.449 3.846 9.468 1.00 0.00 H new ATOM 0 HE ARG A 61 8.407 3.407 11.360 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.182 4.348 11.373 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.189 5.031 13.003 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.664 4.855 13.330 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.142 5.315 14.100 1.00 0.00 H new ATOM 950 N MET A 62 5.245 4.634 6.825 1.00 0.00 N ATOM 951 CA MET A 62 3.792 4.579 7.143 1.00 0.00 C ATOM 952 C MET A 62 3.092 3.652 6.146 1.00 0.00 C ATOM 953 O MET A 62 2.075 3.057 6.441 1.00 0.00 O ATOM 954 CB MET A 62 3.190 5.982 7.048 1.00 0.00 C ATOM 955 CG MET A 62 1.755 5.959 7.580 1.00 0.00 C ATOM 956 SD MET A 62 0.616 6.459 6.266 1.00 0.00 S ATOM 957 CE MET A 62 1.381 8.058 5.898 1.00 0.00 C ATOM 0 H MET A 62 5.570 5.515 6.426 1.00 0.00 H new ATOM 0 HA MET A 62 3.655 4.198 8.155 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.791 6.687 7.623 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.200 6.324 6.013 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.503 4.959 7.933 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.661 6.632 8.433 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.652 8.707 5.412 1.00 0.00 H new ATOM 0 HE2 MET A 62 1.719 8.522 6.825 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.233 7.910 5.235 1.00 0.00 H new ATOM 967 N ILE A 63 3.630 3.528 4.962 1.00 0.00 N ATOM 968 CA ILE A 63 3.000 2.643 3.941 1.00 0.00 C ATOM 969 C ILE A 63 3.201 1.177 4.341 1.00 0.00 C ATOM 970 O ILE A 63 2.256 0.424 4.468 1.00 0.00 O ATOM 971 CB ILE A 63 3.645 2.913 2.571 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.987 4.136 1.932 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.452 1.706 1.648 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.502 3.853 1.696 1.00 0.00 C ATOM 0 H ILE A 63 4.480 4.003 4.658 1.00 0.00 H new ATOM 0 HA ILE A 63 1.931 2.849 3.880 1.00 0.00 H new ATOM 0 HB ILE A 63 4.711 3.092 2.713 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.104 5.005 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.477 4.374 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.913 1.910 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.919 0.828 2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.387 1.520 1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.033 4.725 1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.396 2.996 1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.017 3.636 2.648 1.00 0.00 H new ATOM 986 N GLU A 64 4.425 0.764 4.536 1.00 0.00 N ATOM 987 CA GLU A 64 4.676 -0.655 4.922 1.00 0.00 C ATOM 988 C GLU A 64 3.979 -0.950 6.252 1.00 0.00 C ATOM 989 O GLU A 64 3.261 -1.922 6.383 1.00 0.00 O ATOM 990 CB GLU A 64 6.182 -0.889 5.072 1.00 0.00 C ATOM 991 CG GLU A 64 6.504 -2.353 4.758 1.00 0.00 C ATOM 992 CD GLU A 64 7.996 -2.610 4.984 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.791 -1.804 4.528 1.00 0.00 O ATOM 994 OE2 GLU A 64 8.318 -3.605 5.610 1.00 0.00 O ATOM 0 H GLU A 64 5.258 1.345 4.445 1.00 0.00 H new ATOM 0 HA GLU A 64 4.284 -1.316 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.732 -0.232 4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.500 -0.645 6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.911 -3.011 5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.237 -2.581 3.726 1.00 0.00 H new ATOM 1001 N GLY A 65 4.180 -0.120 7.238 1.00 0.00 N ATOM 1002 CA GLY A 65 3.524 -0.358 8.554 1.00 0.00 C ATOM 1003 C GLY A 65 2.023 -0.571 8.338 1.00 0.00 C ATOM 1004 O GLY A 65 1.369 -1.260 9.094 1.00 0.00 O ATOM 0 H GLY A 65 4.769 0.711 7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.961 -1.231 9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.691 0.492 9.216 1.00 0.00 H new ATOM 1008 N THR A 66 1.477 0.020 7.311 1.00 0.00 N ATOM 1009 CA THR A 66 0.021 -0.142 7.040 1.00 0.00 C ATOM 1010 C THR A 66 -0.238 -1.520 6.425 1.00 0.00 C ATOM 1011 O THR A 66 -1.166 -2.212 6.795 1.00 0.00 O ATOM 1012 CB THR A 66 -0.434 0.944 6.060 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.326 2.216 6.684 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.887 0.694 5.656 1.00 0.00 C ATOM 0 H THR A 66 1.978 0.610 6.646 1.00 0.00 H new ATOM 0 HA THR A 66 -0.534 -0.053 7.974 1.00 0.00 H new ATOM 0 HB THR A 66 0.196 0.919 5.171 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.575 2.574 6.542 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.209 1.468 4.959 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.969 -0.282 5.178 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.520 0.718 6.543 1.00 0.00 H new ATOM 1022 N ALA A 67 0.571 -1.920 5.484 1.00 0.00 N ATOM 1023 CA ALA A 67 0.371 -3.248 4.837 1.00 0.00 C ATOM 1024 C ALA A 67 0.345 -4.350 5.900 1.00 0.00 C ATOM 1025 O ALA A 67 -0.513 -5.209 5.894 1.00 0.00 O ATOM 1026 CB ALA A 67 1.518 -3.513 3.861 1.00 0.00 C ATOM 0 H ALA A 67 1.365 -1.383 5.134 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.578 -3.246 4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.375 -4.484 3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.534 -2.735 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.464 -3.510 4.402 1.00 0.00 H new ATOM 1032 N ARG A 68 1.280 -4.334 6.810 1.00 0.00 N ATOM 1033 CA ARG A 68 1.308 -5.386 7.868 1.00 0.00 C ATOM 1034 C ARG A 68 -0.002 -5.357 8.655 1.00 0.00 C ATOM 1035 O ARG A 68 -0.397 -6.335 9.258 1.00 0.00 O ATOM 1036 CB ARG A 68 2.477 -5.123 8.818 1.00 0.00 C ATOM 1037 CG ARG A 68 2.318 -3.739 9.450 1.00 0.00 C ATOM 1038 CD ARG A 68 2.624 -3.824 10.946 1.00 0.00 C ATOM 1039 NE ARG A 68 1.350 -3.777 11.717 1.00 0.00 N ATOM 1040 CZ ARG A 68 1.358 -3.998 13.002 1.00 0.00 C ATOM 1041 NH1 ARG A 68 2.112 -3.276 13.784 1.00 0.00 N ATOM 1042 NH2 ARG A 68 0.613 -4.946 13.503 1.00 0.00 N ATOM 0 H ARG A 68 2.025 -3.640 6.868 1.00 0.00 H new ATOM 0 HA ARG A 68 1.429 -6.364 7.402 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.508 -5.888 9.594 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.421 -5.181 8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.991 -3.029 8.970 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.304 -3.371 9.296 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.161 -4.747 11.166 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.272 -2.999 11.243 1.00 0.00 H new ATOM 0 HE ARG A 68 0.472 -3.572 11.240 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.696 -2.538 13.390 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.118 -3.449 14.789 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.027 -5.512 12.889 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.618 -5.121 14.508 1.00 0.00 H new ATOM 1056 N SER A 69 -0.682 -4.243 8.652 1.00 0.00 N ATOM 1057 CA SER A 69 -1.967 -4.156 9.400 1.00 0.00 C ATOM 1058 C SER A 69 -3.064 -4.881 8.619 1.00 0.00 C ATOM 1059 O SER A 69 -4.190 -4.980 9.061 1.00 0.00 O ATOM 1060 CB SER A 69 -2.355 -2.687 9.578 1.00 0.00 C ATOM 1061 OG SER A 69 -3.770 -2.582 9.666 1.00 0.00 O ATOM 0 H SER A 69 -0.404 -3.391 8.165 1.00 0.00 H new ATOM 0 HA SER A 69 -1.849 -4.623 10.378 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.892 -2.283 10.479 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.987 -2.097 8.739 1.00 0.00 H new ATOM 0 HG SER A 69 -4.155 -3.469 9.824 1.00 0.00 H new ATOM 1067 N MET A 70 -2.746 -5.391 7.458 1.00 0.00 N ATOM 1068 CA MET A 70 -3.776 -6.109 6.658 1.00 0.00 C ATOM 1069 C MET A 70 -3.266 -7.509 6.324 1.00 0.00 C ATOM 1070 O MET A 70 -3.653 -8.488 6.932 1.00 0.00 O ATOM 1071 CB MET A 70 -4.036 -5.342 5.360 1.00 0.00 C ATOM 1072 CG MET A 70 -5.431 -4.719 5.405 1.00 0.00 C ATOM 1073 SD MET A 70 -6.577 -5.733 4.437 1.00 0.00 S ATOM 1074 CE MET A 70 -6.491 -4.774 2.906 1.00 0.00 C ATOM 0 H MET A 70 -1.820 -5.341 7.032 1.00 0.00 H new ATOM 0 HA MET A 70 -4.701 -6.181 7.230 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.283 -4.565 5.228 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.954 -6.014 4.506 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.775 -4.646 6.437 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.401 -3.705 5.007 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.989 -5.321 2.106 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.985 -3.813 3.050 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.447 -4.609 2.638 1.00 0.00 H new ATOM 1084 N GLY A 71 -2.398 -7.607 5.358 1.00 0.00 N ATOM 1085 CA GLY A 71 -1.849 -8.932 4.966 1.00 0.00 C ATOM 1086 C GLY A 71 -0.925 -8.746 3.767 1.00 0.00 C ATOM 1087 O GLY A 71 -1.103 -9.355 2.731 1.00 0.00 O ATOM 0 H GLY A 71 -2.042 -6.818 4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.302 -9.375 5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.659 -9.617 4.716 1.00 0.00 H new ATOM 1091 N ILE A 72 0.060 -7.900 3.895 1.00 0.00 N ATOM 1092 CA ILE A 72 0.988 -7.667 2.757 1.00 0.00 C ATOM 1093 C ILE A 72 2.376 -7.294 3.289 1.00 0.00 C ATOM 1094 O ILE A 72 2.547 -6.310 3.979 1.00 0.00 O ATOM 1095 CB ILE A 72 0.446 -6.527 1.891 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -1.080 -6.630 1.821 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.030 -6.632 0.481 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.626 -5.555 0.878 1.00 0.00 C ATOM 0 H ILE A 72 0.261 -7.362 4.738 1.00 0.00 H new ATOM 0 HA ILE A 72 1.067 -8.575 2.160 1.00 0.00 H new ATOM 0 HB ILE A 72 0.730 -5.569 2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.372 -7.619 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.509 -6.507 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.643 -5.820 -0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.117 -6.563 0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.747 -7.588 0.040 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.712 -5.631 0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.347 -4.569 1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.208 -5.699 -0.118 1.00 0.00 H new ATOM 1110 N VAL A 73 3.363 -8.089 2.979 1.00 0.00 N ATOM 1111 CA VAL A 73 4.745 -7.807 3.465 1.00 0.00 C ATOM 1112 C VAL A 73 5.562 -7.115 2.368 1.00 0.00 C ATOM 1113 O VAL A 73 5.105 -6.936 1.256 1.00 0.00 O ATOM 1114 CB VAL A 73 5.416 -9.130 3.839 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.646 -8.858 4.709 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.423 -9.993 4.620 1.00 0.00 C ATOM 0 H VAL A 73 3.271 -8.928 2.406 1.00 0.00 H new ATOM 0 HA VAL A 73 4.696 -7.150 4.334 1.00 0.00 H new ATOM 0 HB VAL A 73 5.725 -9.650 2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.121 -9.803 4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.353 -8.239 4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.341 -8.339 5.618 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.895 -10.938 4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.118 -9.468 5.526 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.547 -10.189 4.002 1.00 0.00 H new ATOM 1126 N VAL A 74 6.773 -6.724 2.676 1.00 0.00 N ATOM 1127 CA VAL A 74 7.624 -6.043 1.658 1.00 0.00 C ATOM 1128 C VAL A 74 9.088 -6.431 1.871 1.00 0.00 C ATOM 1129 O VAL A 74 9.522 -6.678 2.978 1.00 0.00 O ATOM 1130 CB VAL A 74 7.481 -4.528 1.808 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.510 -3.828 0.919 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.072 -4.106 1.387 1.00 0.00 C ATOM 0 H VAL A 74 7.208 -6.848 3.590 1.00 0.00 H new ATOM 0 HA VAL A 74 7.306 -6.347 0.661 1.00 0.00 H new ATOM 0 HB VAL A 74 7.649 -4.248 2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.408 -2.748 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.514 -4.129 1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.342 -4.107 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.969 -3.026 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.904 -4.386 0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.338 -4.605 2.020 1.00 0.00 H new ATOM 1142 N GLU A 75 9.853 -6.483 0.814 1.00 0.00 N ATOM 1143 CA GLU A 75 11.291 -6.850 0.946 1.00 0.00 C ATOM 1144 C GLU A 75 12.139 -5.857 0.148 1.00 0.00 C ATOM 1145 O GLU A 75 11.633 -5.105 -0.661 1.00 0.00 O ATOM 1146 CB GLU A 75 11.511 -8.262 0.396 1.00 0.00 C ATOM 1147 CG GLU A 75 11.173 -9.291 1.477 1.00 0.00 C ATOM 1148 CD GLU A 75 10.022 -10.177 0.997 1.00 0.00 C ATOM 1149 OE1 GLU A 75 10.057 -10.589 -0.150 1.00 0.00 O ATOM 1150 OE2 GLU A 75 9.124 -10.425 1.785 1.00 0.00 O ATOM 0 H GLU A 75 9.542 -6.286 -0.137 1.00 0.00 H new ATOM 0 HA GLU A 75 11.581 -6.821 1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.886 -8.423 -0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.546 -8.382 0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.048 -9.902 1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.895 -8.785 2.402 1.00 0.00 H new ATOM 1157 N ASP A 76 13.423 -5.846 0.366 1.00 0.00 N ATOM 1158 CA ASP A 76 14.297 -4.900 -0.384 1.00 0.00 C ATOM 1159 C ASP A 76 14.478 -5.403 -1.818 1.00 0.00 C ATOM 1160 O ASP A 76 13.538 -5.974 -2.347 1.00 0.00 O ATOM 1161 CB ASP A 76 15.662 -4.810 0.302 1.00 0.00 C ATOM 1162 CG ASP A 76 16.128 -6.213 0.698 1.00 0.00 C ATOM 1163 OD1 ASP A 76 15.661 -7.164 0.095 1.00 0.00 O ATOM 1164 OD2 ASP A 76 16.944 -6.310 1.600 1.00 0.00 O ATOM 1165 OXT ASP A 76 15.552 -5.206 -2.362 1.00 0.00 O ATOM 0 H ASP A 76 13.906 -6.450 1.031 1.00 0.00 H new ATOM 0 HA ASP A 76 13.835 -3.913 -0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 76 16.388 -4.350 -0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.596 -4.174 1.185 1.00 0.00 H new