USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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 58 GLN : amide:sc= -0.0966 K(o=-0.62,f=-2.7) USER MOD Set 1.2: A 62 LYS NZ :NH3+ 173:sc= -0.519 (180deg=-0.737) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 130:sc= -0.504 USER MOD Single : A 9 LYS NZ :NH3+ -157:sc= 0.457 (180deg=0.226) USER MOD Single : A 10 LYS NZ :NH3+ 148:sc= -1.29 (180deg=-3.31!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.5!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0624 USER MOD Single : A 22 LYS NZ :NH3+ 161:sc= -2.31! (180deg=-3.5!) USER MOD Single : A 24 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.2) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0.048) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.78 K(o=-3.8,f=-12!) USER MOD Single : A 30 THR OG1 : rot -38:sc= 0.599 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0375 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.2) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -20:sc= 0.657 USER MOD Single : A 64 ASN : amide:sc= -8.47! C(o=-8.5!,f=-9.5!) USER MOD Single : A 65 THR OG1 : rot 10:sc= -0.208! USER MOD Single : A 67 GLN : amide:sc= -1.39 X(o=-1.4,f=-0.93) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.484) USER MOD Single : A 76 ASN : amide:sc= -0.31 K(o=-0.31,f=-2.2) USER MOD Single : A 77 ASN : amide:sc= -4.48! C(o=-4.5!,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 -0.130 5.669 0.098 1.00 0.00 N ATOM 43 CA SER A 3 -0.019 4.350 0.710 1.00 0.00 C ATOM 44 C SER A 3 -1.066 4.169 1.805 1.00 0.00 C ATOM 45 O SER A 3 -1.785 3.170 1.835 1.00 0.00 O ATOM 46 CB SER A 3 1.382 4.150 1.289 1.00 0.00 C ATOM 47 OG SER A 3 2.000 2.997 0.744 1.00 0.00 O ATOM 0 HA SER A 3 -0.195 3.602 -0.063 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.994 5.027 1.080 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.321 4.055 2.373 1.00 0.00 H new ATOM 0 HG SER A 3 2.895 2.893 1.129 1.00 0.00 H new ATOM 53 N THR A 4 -1.146 5.144 2.705 1.00 0.00 N ATOM 54 CA THR A 4 -2.102 5.094 3.804 1.00 0.00 C ATOM 55 C THR A 4 -3.511 4.817 3.293 1.00 0.00 C ATOM 56 O THR A 4 -4.259 4.045 3.893 1.00 0.00 O ATOM 57 CB THR A 4 -2.108 6.409 4.605 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.131 6.369 5.606 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.336 7.601 3.687 1.00 0.00 C ATOM 0 H THR A 4 -0.560 5.979 2.694 1.00 0.00 H new ATOM 0 HA THR A 4 -1.789 4.281 4.459 1.00 0.00 H new ATOM 0 HB THR A 4 -1.136 6.520 5.085 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.751 6.626 6.472 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.336 8.519 4.275 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.539 7.646 2.945 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.296 7.493 3.183 1.00 0.00 H new ATOM 67 N PHE A 5 -3.868 5.451 2.182 1.00 0.00 N ATOM 68 CA PHE A 5 -5.189 5.273 1.590 1.00 0.00 C ATOM 69 C PHE A 5 -5.552 3.794 1.506 1.00 0.00 C ATOM 70 O PHE A 5 -6.715 3.419 1.663 1.00 0.00 O ATOM 71 CB PHE A 5 -5.236 5.902 0.196 1.00 0.00 C ATOM 72 CG PHE A 5 -6.493 6.682 -0.068 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.724 6.197 0.342 1.00 0.00 C ATOM 74 CD2 PHE A 5 -6.442 7.900 -0.726 1.00 0.00 C ATOM 75 CE1 PHE A 5 -8.882 6.912 0.102 1.00 0.00 C ATOM 76 CE2 PHE A 5 -7.597 8.620 -0.970 1.00 0.00 C ATOM 77 CZ PHE A 5 -8.818 8.125 -0.556 1.00 0.00 C ATOM 0 H PHE A 5 -3.261 6.093 1.673 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.917 5.772 2.230 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.377 6.561 0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.142 5.115 -0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.779 5.249 0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.490 8.291 -1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.835 6.523 0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.544 9.568 -1.484 1.00 0.00 H new ATOM 0 HZ PHE A 5 -9.721 8.685 -0.746 1.00 0.00 H new ATOM 87 N ASP A 6 -4.550 2.958 1.256 1.00 0.00 N ATOM 88 CA ASP A 6 -4.762 1.519 1.151 1.00 0.00 C ATOM 89 C ASP A 6 -5.411 0.972 2.418 1.00 0.00 C ATOM 90 O ASP A 6 -6.603 0.664 2.435 1.00 0.00 O ATOM 91 CB ASP A 6 -3.435 0.804 0.892 1.00 0.00 C ATOM 92 CG ASP A 6 -2.840 1.159 -0.456 1.00 0.00 C ATOM 93 OD1 ASP A 6 -3.510 0.918 -1.482 1.00 0.00 O ATOM 94 OD2 ASP A 6 -1.704 1.677 -0.486 1.00 0.00 O ATOM 0 H ASP A 6 -3.583 3.252 1.122 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.434 1.335 0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.726 1.063 1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.590 -0.274 0.945 1.00 0.00 H new ATOM 99 N ASP A 7 -4.618 0.852 3.478 1.00 0.00 N ATOM 100 CA ASP A 7 -5.115 0.341 4.750 1.00 0.00 C ATOM 101 C ASP A 7 -6.372 1.089 5.183 1.00 0.00 C ATOM 102 O ASP A 7 -7.238 0.530 5.857 1.00 0.00 O ATOM 103 CB ASP A 7 -4.038 0.463 5.829 1.00 0.00 C ATOM 104 CG ASP A 7 -3.033 -0.671 5.775 1.00 0.00 C ATOM 105 OD1 ASP A 7 -2.695 -1.113 4.657 1.00 0.00 O ATOM 106 OD2 ASP A 7 -2.584 -1.117 6.852 1.00 0.00 O ATOM 0 H ASP A 7 -3.629 1.102 3.481 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.368 -0.711 4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.516 1.413 5.712 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.511 0.479 6.811 1.00 0.00 H new ATOM 111 N ILE A 8 -6.466 2.355 4.790 1.00 0.00 N ATOM 112 CA ILE A 8 -7.617 3.179 5.138 1.00 0.00 C ATOM 113 C ILE A 8 -8.862 2.731 4.379 1.00 0.00 C ATOM 114 O ILE A 8 -9.975 2.786 4.903 1.00 0.00 O ATOM 115 CB ILE A 8 -7.355 4.667 4.839 1.00 0.00 C ATOM 116 CG1 ILE A 8 -6.421 5.264 5.893 1.00 0.00 C ATOM 117 CG2 ILE A 8 -8.667 5.436 4.788 1.00 0.00 C ATOM 118 CD1 ILE A 8 -6.039 6.702 5.617 1.00 0.00 C ATOM 0 H ILE A 8 -5.759 2.832 4.231 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.782 3.056 6.208 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.872 4.748 3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.903 5.205 6.869 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.515 4.660 5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.465 6.486 4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.301 5.023 4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.176 5.351 5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.376 7.060 6.405 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.528 6.765 4.656 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.937 7.319 5.591 1.00 0.00 H new ATOM 130 N LYS A 9 -8.667 2.285 3.143 1.00 0.00 N ATOM 131 CA LYS A 9 -9.772 1.824 2.312 1.00 0.00 C ATOM 132 C LYS A 9 -10.324 0.499 2.827 1.00 0.00 C ATOM 133 O LYS A 9 -11.483 0.161 2.585 1.00 0.00 O ATOM 134 CB LYS A 9 -9.315 1.669 0.859 1.00 0.00 C ATOM 135 CG LYS A 9 -8.878 0.258 0.507 1.00 0.00 C ATOM 136 CD LYS A 9 -7.883 0.253 -0.642 1.00 0.00 C ATOM 137 CE LYS A 9 -6.884 -0.886 -0.509 1.00 0.00 C ATOM 138 NZ LYS A 9 -5.942 -0.935 -1.661 1.00 0.00 N ATOM 0 H LYS A 9 -7.752 2.233 2.694 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.565 2.570 2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.129 1.964 0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.488 2.354 0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.428 -0.213 1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.750 -0.337 0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.418 0.161 -1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.351 1.204 -0.668 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.320 -0.768 0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.420 -1.833 -0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.553 -1.895 -1.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.448 -0.683 -2.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.166 -0.261 -1.504 1.00 0.00 H new ATOM 152 N LYS A 10 -9.487 -0.248 3.539 1.00 0.00 N ATOM 153 CA LYS A 10 -9.891 -1.536 4.091 1.00 0.00 C ATOM 154 C LYS A 10 -10.738 -1.348 5.345 1.00 0.00 C ATOM 155 O LYS A 10 -11.800 -1.956 5.485 1.00 0.00 O ATOM 156 CB LYS A 10 -8.659 -2.383 4.417 1.00 0.00 C ATOM 157 CG LYS A 10 -7.489 -2.142 3.479 1.00 0.00 C ATOM 158 CD LYS A 10 -6.383 -3.161 3.693 1.00 0.00 C ATOM 159 CE LYS A 10 -5.919 -3.183 5.142 1.00 0.00 C ATOM 160 NZ LYS A 10 -4.443 -3.350 5.249 1.00 0.00 N ATOM 0 H LYS A 10 -8.524 0.017 3.747 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.491 -2.052 3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.344 -2.172 5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.933 -3.437 4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.834 -2.190 2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.095 -1.138 3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.739 -4.151 3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.540 -2.927 3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.216 -2.256 5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.416 -3.997 5.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.097 -2.848 6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.213 -4.361 5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.987 -2.957 4.401 1.00 0.00 H new ATOM 174 N ILE A 11 -10.263 -0.504 6.254 1.00 0.00 N ATOM 175 CA ILE A 11 -10.979 -0.235 7.495 1.00 0.00 C ATOM 176 C ILE A 11 -12.352 0.368 7.218 1.00 0.00 C ATOM 177 O ILE A 11 -13.336 0.022 7.872 1.00 0.00 O ATOM 178 CB ILE A 11 -10.186 0.720 8.407 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.815 1.995 7.646 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.938 0.031 8.938 1.00 0.00 C ATOM 181 CD1 ILE A 11 -8.977 2.959 8.457 1.00 0.00 C ATOM 0 H ILE A 11 -9.385 0.006 6.155 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.101 -1.192 8.003 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.814 0.995 9.255 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.270 1.724 6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.728 2.498 7.328 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.388 0.719 9.581 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.225 -0.851 9.511 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.305 -0.270 8.103 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.751 3.840 7.856 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.528 3.260 9.348 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.047 2.473 8.752 1.00 0.00 H new ATOM 193 N ILE A 12 -12.411 1.269 6.243 1.00 0.00 N ATOM 194 CA ILE A 12 -13.664 1.917 5.877 1.00 0.00 C ATOM 195 C ILE A 12 -14.562 0.971 5.087 1.00 0.00 C ATOM 196 O ILE A 12 -15.788 1.054 5.162 1.00 0.00 O ATOM 197 CB ILE A 12 -13.418 3.189 5.045 1.00 0.00 C ATOM 198 CG1 ILE A 12 -12.847 2.825 3.673 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.479 4.131 5.783 1.00 0.00 C ATOM 200 CD1 ILE A 12 -12.605 4.023 2.782 1.00 0.00 C ATOM 0 H ILE A 12 -11.606 1.567 5.692 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.160 2.192 6.808 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.370 3.699 4.897 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.908 2.289 3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -13.534 2.143 3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.315 5.026 5.182 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.922 4.412 6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.526 3.632 5.958 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.200 3.690 1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -13.546 4.548 2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.895 4.696 3.262 1.00 0.00 H new ATOM 212 N SER A 13 -13.943 0.071 4.330 1.00 0.00 N ATOM 213 CA SER A 13 -14.686 -0.890 3.523 1.00 0.00 C ATOM 214 C SER A 13 -15.449 -1.869 4.410 1.00 0.00 C ATOM 215 O SER A 13 -16.514 -2.363 4.038 1.00 0.00 O ATOM 216 CB SER A 13 -13.736 -1.655 2.599 1.00 0.00 C ATOM 217 OG SER A 13 -14.330 -2.856 2.138 1.00 0.00 O ATOM 0 H SER A 13 -12.929 -0.013 4.259 1.00 0.00 H new ATOM 0 HA SER A 13 -15.405 -0.339 2.917 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.468 -1.028 1.748 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.812 -1.883 3.130 1.00 0.00 H new ATOM 0 HG SER A 13 -13.704 -3.325 1.548 1.00 0.00 H new ATOM 223 N LYS A 14 -14.897 -2.145 5.586 1.00 0.00 N ATOM 224 CA LYS A 14 -15.524 -3.064 6.529 1.00 0.00 C ATOM 225 C LYS A 14 -16.292 -2.300 7.603 1.00 0.00 C ATOM 226 O LYS A 14 -17.210 -2.838 8.222 1.00 0.00 O ATOM 227 CB LYS A 14 -14.467 -3.958 7.182 1.00 0.00 C ATOM 228 CG LYS A 14 -15.035 -4.918 8.212 1.00 0.00 C ATOM 229 CD LYS A 14 -14.562 -4.575 9.615 1.00 0.00 C ATOM 230 CE LYS A 14 -14.339 -5.826 10.450 1.00 0.00 C ATOM 231 NZ LYS A 14 -15.138 -5.804 11.706 1.00 0.00 N ATOM 0 H LYS A 14 -14.016 -1.745 5.909 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.227 -3.687 5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.958 -4.530 6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.716 -3.329 7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.124 -4.888 8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.736 -5.937 7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.635 -4.004 9.558 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.299 -3.937 10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.607 -6.706 9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.281 -5.916 10.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.958 -6.674 12.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.865 -4.979 12.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.150 -5.744 11.473 1.00 0.00 H new ATOM 245 N GLN A 15 -15.911 -1.045 7.817 1.00 0.00 N ATOM 246 CA GLN A 15 -16.566 -0.209 8.816 1.00 0.00 C ATOM 247 C GLN A 15 -17.949 0.224 8.342 1.00 0.00 C ATOM 248 O GLN A 15 -18.963 -0.129 8.947 1.00 0.00 O ATOM 249 CB GLN A 15 -15.710 1.022 9.121 1.00 0.00 C ATOM 250 CG GLN A 15 -16.340 1.965 10.134 1.00 0.00 C ATOM 251 CD GLN A 15 -16.985 1.231 11.293 1.00 0.00 C ATOM 252 OE1 GLN A 15 -16.384 0.336 11.888 1.00 0.00 O ATOM 253 NE2 GLN A 15 -18.216 1.607 11.620 1.00 0.00 N ATOM 0 H GLN A 15 -15.153 -0.585 7.313 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.682 -0.797 9.726 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.740 0.696 9.495 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.528 1.566 8.194 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.577 2.642 10.518 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -17.090 2.579 9.635 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -18.676 2.354 11.099 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -18.701 1.149 12.392 1.00 0.00 H new ATOM 262 N LEU A 16 -17.985 0.991 7.258 1.00 0.00 N ATOM 263 CA LEU A 16 -19.245 1.472 6.702 1.00 0.00 C ATOM 264 C LEU A 16 -19.524 0.828 5.348 1.00 0.00 C ATOM 265 O LEU A 16 -20.429 0.005 5.216 1.00 0.00 O ATOM 266 CB LEU A 16 -19.213 2.995 6.559 1.00 0.00 C ATOM 267 CG LEU A 16 -18.585 3.765 7.721 1.00 0.00 C ATOM 268 CD1 LEU A 16 -17.101 3.986 7.475 1.00 0.00 C ATOM 269 CD2 LEU A 16 -19.297 5.094 7.926 1.00 0.00 C ATOM 0 H LEU A 16 -17.156 1.293 6.746 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.046 1.194 7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.668 3.243 5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -20.235 3.349 6.425 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.697 3.171 8.628 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.671 4.536 8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.601 3.022 7.378 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.966 4.559 6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.837 5.629 8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.216 5.694 7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.349 4.913 8.149 1.00 0.00 H new ATOM 281 N SER A 17 -18.739 1.208 4.345 1.00 0.00 N ATOM 282 CA SER A 17 -18.903 0.669 3.000 1.00 0.00 C ATOM 283 C SER A 17 -17.921 1.319 2.030 1.00 0.00 C ATOM 284 O SER A 17 -16.920 0.716 1.644 1.00 0.00 O ATOM 285 CB SER A 17 -20.337 0.884 2.512 1.00 0.00 C ATOM 286 OG SER A 17 -20.869 2.098 3.014 1.00 0.00 O ATOM 0 H SER A 17 -17.983 1.887 4.438 1.00 0.00 H new ATOM 0 HA SER A 17 -18.696 -0.401 3.037 1.00 0.00 H new ATOM 0 HB2 SER A 17 -20.356 0.898 1.422 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.962 0.050 2.831 1.00 0.00 H new ATOM 0 HG SER A 17 -21.786 2.213 2.687 1.00 0.00 H new ATOM 292 N VAL A 18 -18.215 2.556 1.641 1.00 0.00 N ATOM 293 CA VAL A 18 -17.359 3.291 0.717 1.00 0.00 C ATOM 294 C VAL A 18 -17.664 4.784 0.754 1.00 0.00 C ATOM 295 O VAL A 18 -18.824 5.191 0.698 1.00 0.00 O ATOM 296 CB VAL A 18 -17.522 2.780 -0.726 1.00 0.00 C ATOM 297 CG1 VAL A 18 -16.550 1.644 -1.005 1.00 0.00 C ATOM 298 CG2 VAL A 18 -18.956 2.338 -0.976 1.00 0.00 C ATOM 0 H VAL A 18 -19.039 3.070 1.951 1.00 0.00 H new ATOM 0 HA VAL A 18 -16.331 3.126 1.039 1.00 0.00 H new ATOM 0 HB VAL A 18 -17.293 3.598 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -16.681 1.297 -2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.528 1.998 -0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -16.744 0.822 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -19.053 1.980 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -19.215 1.536 -0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.629 3.181 -0.821 1.00 0.00 H new ATOM 308 N GLU A 19 -16.615 5.595 0.849 1.00 0.00 N ATOM 309 CA GLU A 19 -16.773 7.044 0.894 1.00 0.00 C ATOM 310 C GLU A 19 -15.454 7.744 0.577 1.00 0.00 C ATOM 311 O GLU A 19 -15.116 8.758 1.187 1.00 0.00 O ATOM 312 CB GLU A 19 -17.277 7.482 2.271 1.00 0.00 C ATOM 313 CG GLU A 19 -16.266 7.270 3.385 1.00 0.00 C ATOM 314 CD GLU A 19 -16.658 6.144 4.322 1.00 0.00 C ATOM 315 OE1 GLU A 19 -17.517 6.373 5.199 1.00 0.00 O ATOM 316 OE2 GLU A 19 -16.105 5.034 4.178 1.00 0.00 O ATOM 0 H GLU A 19 -15.648 5.274 0.896 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.507 7.328 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.545 8.538 2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.187 6.931 2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.291 7.052 2.949 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.161 8.193 3.956 1.00 0.00 H new ATOM 323 N GLU A 20 -14.715 7.195 -0.382 1.00 0.00 N ATOM 324 CA GLU A 20 -13.434 7.766 -0.780 1.00 0.00 C ATOM 325 C GLU A 20 -13.630 9.106 -1.483 1.00 0.00 C ATOM 326 O GLU A 20 -12.684 9.875 -1.652 1.00 0.00 O ATOM 327 CB GLU A 20 -12.683 6.801 -1.699 1.00 0.00 C ATOM 328 CG GLU A 20 -13.518 6.296 -2.864 1.00 0.00 C ATOM 329 CD GLU A 20 -12.670 5.751 -3.997 1.00 0.00 C ATOM 330 OE1 GLU A 20 -11.761 6.473 -4.457 1.00 0.00 O ATOM 331 OE2 GLU A 20 -12.916 4.603 -4.423 1.00 0.00 O ATOM 0 H GLU A 20 -14.981 6.356 -0.897 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.844 7.931 0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.795 7.300 -2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.339 5.949 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.192 5.515 -2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.140 7.108 -3.239 1.00 0.00 H new ATOM 338 N ASP A 21 -14.865 9.378 -1.890 1.00 0.00 N ATOM 339 CA ASP A 21 -15.187 10.625 -2.574 1.00 0.00 C ATOM 340 C ASP A 21 -15.565 11.713 -1.573 1.00 0.00 C ATOM 341 O ASP A 21 -16.522 12.458 -1.782 1.00 0.00 O ATOM 342 CB ASP A 21 -16.331 10.407 -3.565 1.00 0.00 C ATOM 343 CG ASP A 21 -15.974 9.412 -4.652 1.00 0.00 C ATOM 344 OD1 ASP A 21 -15.921 8.200 -4.352 1.00 0.00 O ATOM 345 OD2 ASP A 21 -15.749 9.844 -5.801 1.00 0.00 O ATOM 0 H ASP A 21 -15.659 8.752 -1.758 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.301 10.950 -3.119 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -17.211 10.053 -3.028 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.598 11.360 -4.022 1.00 0.00 H new ATOM 350 N LYS A 22 -14.807 11.797 -0.485 1.00 0.00 N ATOM 351 CA LYS A 22 -15.061 12.793 0.549 1.00 0.00 C ATOM 352 C LYS A 22 -14.079 12.639 1.706 1.00 0.00 C ATOM 353 O LYS A 22 -13.720 13.617 2.362 1.00 0.00 O ATOM 354 CB LYS A 22 -16.497 12.667 1.066 1.00 0.00 C ATOM 355 CG LYS A 22 -16.904 11.240 1.390 1.00 0.00 C ATOM 356 CD LYS A 22 -16.552 10.872 2.821 1.00 0.00 C ATOM 357 CE LYS A 22 -17.750 11.025 3.747 1.00 0.00 C ATOM 358 NZ LYS A 22 -17.916 9.845 4.639 1.00 0.00 N ATOM 0 H LYS A 22 -14.011 11.187 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.925 13.780 0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.607 13.279 1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.180 13.070 0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.977 11.123 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.407 10.554 0.704 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.193 9.843 2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.737 11.506 3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.629 11.923 4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.653 11.161 3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.513 10.104 5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.367 9.071 4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.984 9.534 4.980 1.00 0.00 H new ATOM 372 N ILE A 23 -13.647 11.406 1.950 1.00 0.00 N ATOM 373 CA ILE A 23 -12.704 11.126 3.025 1.00 0.00 C ATOM 374 C ILE A 23 -11.358 11.793 2.764 1.00 0.00 C ATOM 375 O ILE A 23 -10.747 12.355 3.672 1.00 0.00 O ATOM 376 CB ILE A 23 -12.487 9.611 3.203 1.00 0.00 C ATOM 377 CG1 ILE A 23 -13.565 9.023 4.116 1.00 0.00 C ATOM 378 CG2 ILE A 23 -11.101 9.338 3.767 1.00 0.00 C ATOM 379 CD1 ILE A 23 -13.485 9.518 5.543 1.00 0.00 C ATOM 0 H ILE A 23 -13.935 10.585 1.417 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.137 11.533 3.938 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.562 9.131 2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.546 9.268 3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.480 7.936 4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.962 8.264 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.347 9.727 3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.999 9.828 4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.279 9.060 6.132 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.517 9.250 5.967 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.601 10.602 5.559 1.00 0.00 H new ATOM 391 N GLN A 24 -10.904 11.728 1.517 1.00 0.00 N ATOM 392 CA GLN A 24 -9.630 12.328 1.136 1.00 0.00 C ATOM 393 C GLN A 24 -9.806 13.801 0.783 1.00 0.00 C ATOM 394 O GLN A 24 -9.382 14.249 -0.282 1.00 0.00 O ATOM 395 CB GLN A 24 -9.023 11.576 -0.049 1.00 0.00 C ATOM 396 CG GLN A 24 -9.953 11.476 -1.248 1.00 0.00 C ATOM 397 CD GLN A 24 -9.565 12.421 -2.368 1.00 0.00 C ATOM 398 OE1 GLN A 24 -8.433 12.398 -2.851 1.00 0.00 O ATOM 399 NE2 GLN A 24 -10.506 13.258 -2.789 1.00 0.00 N ATOM 0 H GLN A 24 -11.398 11.266 0.753 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.954 12.256 1.988 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.104 12.076 -0.354 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.748 10.571 0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.947 10.453 -1.623 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.973 11.694 -0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.431 13.243 -2.360 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.304 13.916 -3.541 1.00 0.00 H new ATOM 408 N MET A 25 -10.435 14.549 1.683 1.00 0.00 N ATOM 409 CA MET A 25 -10.667 15.973 1.467 1.00 0.00 C ATOM 410 C MET A 25 -9.418 16.783 1.801 1.00 0.00 C ATOM 411 O MET A 25 -9.410 18.007 1.675 1.00 0.00 O ATOM 412 CB MET A 25 -11.844 16.455 2.316 1.00 0.00 C ATOM 413 CG MET A 25 -13.093 16.761 1.505 1.00 0.00 C ATOM 414 SD MET A 25 -12.940 18.276 0.538 1.00 0.00 S ATOM 415 CE MET A 25 -14.356 18.129 -0.549 1.00 0.00 C ATOM 0 H MET A 25 -10.793 14.193 2.569 1.00 0.00 H new ATOM 0 HA MET A 25 -10.905 16.121 0.414 1.00 0.00 H new ATOM 0 HB2 MET A 25 -12.081 15.694 3.059 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.546 17.351 2.861 1.00 0.00 H new ATOM 0 HG2 MET A 25 -13.300 15.926 0.835 1.00 0.00 H new ATOM 0 HG3 MET A 25 -13.946 16.849 2.178 1.00 0.00 H new ATOM 0 HE1 MET A 25 -14.398 18.994 -1.211 1.00 0.00 H new ATOM 0 HE2 MET A 25 -14.265 17.221 -1.145 1.00 0.00 H new ATOM 0 HE3 MET A 25 -15.268 18.082 0.046 1.00 0.00 H new ATOM 425 N ASN A 26 -8.366 16.092 2.227 1.00 0.00 N ATOM 426 CA ASN A 26 -7.112 16.749 2.580 1.00 0.00 C ATOM 427 C ASN A 26 -7.330 17.780 3.683 1.00 0.00 C ATOM 428 O ASN A 26 -6.531 18.701 3.853 1.00 0.00 O ATOM 429 CB ASN A 26 -6.501 17.423 1.350 1.00 0.00 C ATOM 430 CG ASN A 26 -4.986 17.458 1.402 1.00 0.00 C ATOM 431 OD1 ASN A 26 -4.394 18.399 1.930 1.00 0.00 O ATOM 432 ND2 ASN A 26 -4.351 16.428 0.854 1.00 0.00 N ATOM 0 H ASN A 26 -8.356 15.078 2.336 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.424 15.989 2.949 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.819 16.892 0.453 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.883 18.441 1.270 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.332 16.396 0.860 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.883 15.670 0.427 1.00 0.00 H new ATOM 439 N SER A 27 -8.418 17.619 4.430 1.00 0.00 N ATOM 440 CA SER A 27 -8.743 18.537 5.515 1.00 0.00 C ATOM 441 C SER A 27 -8.811 17.800 6.849 1.00 0.00 C ATOM 442 O SER A 27 -7.887 17.871 7.657 1.00 0.00 O ATOM 443 CB SER A 27 -10.075 19.237 5.237 1.00 0.00 C ATOM 444 OG SER A 27 -9.890 20.379 4.419 1.00 0.00 O ATOM 0 H SER A 27 -9.089 16.861 4.303 1.00 0.00 H new ATOM 0 HA SER A 27 -7.953 19.285 5.574 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.759 18.543 4.749 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.538 19.532 6.179 1.00 0.00 H new ATOM 0 HG SER A 27 -10.756 20.807 4.255 1.00 0.00 H new ATOM 450 N ASN A 28 -9.914 17.092 7.071 1.00 0.00 N ATOM 451 CA ASN A 28 -10.105 16.342 8.306 1.00 0.00 C ATOM 452 C ASN A 28 -10.946 15.093 8.060 1.00 0.00 C ATOM 453 O ASN A 28 -11.729 15.036 7.112 1.00 0.00 O ATOM 454 CB ASN A 28 -10.775 17.222 9.363 1.00 0.00 C ATOM 455 CG ASN A 28 -10.874 18.672 8.931 1.00 0.00 C ATOM 456 OD1 ASN A 28 -11.917 19.118 8.452 1.00 0.00 O ATOM 457 ND2 ASN A 28 -9.786 19.414 9.098 1.00 0.00 N ATOM 0 H ASN A 28 -10.689 17.022 6.411 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.125 16.032 8.669 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.774 16.839 9.570 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.211 17.161 10.293 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.792 20.397 8.825 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.944 19.001 9.499 1.00 0.00 H new ATOM 464 N PHE A 29 -10.779 14.095 8.921 1.00 0.00 N ATOM 465 CA PHE A 29 -11.522 12.846 8.798 1.00 0.00 C ATOM 466 C PHE A 29 -12.848 12.925 9.550 1.00 0.00 C ATOM 467 O PHE A 29 -13.890 12.512 9.041 1.00 0.00 O ATOM 468 CB PHE A 29 -10.690 11.678 9.330 1.00 0.00 C ATOM 469 CG PHE A 29 -10.136 10.795 8.248 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.276 11.306 7.291 1.00 0.00 C ATOM 471 CD2 PHE A 29 -10.476 9.453 8.189 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.764 10.497 6.294 1.00 0.00 C ATOM 473 CE2 PHE A 29 -9.967 8.638 7.196 1.00 0.00 C ATOM 474 CZ PHE A 29 -9.111 9.161 6.246 1.00 0.00 C ATOM 0 H PHE A 29 -10.136 14.127 9.712 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.733 12.681 7.741 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.866 12.071 9.925 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.307 11.077 9.998 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.002 12.350 7.324 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.147 9.039 8.928 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.094 10.909 5.554 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.238 7.593 7.163 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.714 8.526 5.467 1.00 0.00 H new ATOM 484 N THR A 30 -12.800 13.460 10.766 1.00 0.00 N ATOM 485 CA THR A 30 -13.995 13.592 11.590 1.00 0.00 C ATOM 486 C THR A 30 -14.322 15.058 11.852 1.00 0.00 C ATOM 487 O THR A 30 -15.206 15.375 12.648 1.00 0.00 O ATOM 488 CB THR A 30 -13.831 12.865 12.938 1.00 0.00 C ATOM 489 OG1 THR A 30 -15.091 12.799 13.615 1.00 0.00 O ATOM 490 CG2 THR A 30 -12.814 13.578 13.817 1.00 0.00 C ATOM 0 H THR A 30 -11.946 13.809 11.202 1.00 0.00 H new ATOM 0 HA THR A 30 -14.814 13.133 11.036 1.00 0.00 H new ATOM 0 HB THR A 30 -13.472 11.855 12.740 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.580 13.637 13.478 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.715 13.046 14.763 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.849 13.601 13.311 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.149 14.598 14.007 1.00 0.00 H new ATOM 498 N LYS A 31 -13.605 15.949 11.177 1.00 0.00 N ATOM 499 CA LYS A 31 -13.820 17.383 11.334 1.00 0.00 C ATOM 500 C LYS A 31 -14.207 18.024 10.006 1.00 0.00 C ATOM 501 O LYS A 31 -14.608 19.187 9.961 1.00 0.00 O ATOM 502 CB LYS A 31 -12.559 18.051 11.887 1.00 0.00 C ATOM 503 CG LYS A 31 -11.564 17.071 12.486 1.00 0.00 C ATOM 504 CD LYS A 31 -10.312 17.778 12.976 1.00 0.00 C ATOM 505 CE LYS A 31 -9.784 17.152 14.258 1.00 0.00 C ATOM 506 NZ LYS A 31 -8.873 16.007 13.981 1.00 0.00 N ATOM 0 H LYS A 31 -12.869 15.704 10.515 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.639 17.527 12.039 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.071 18.607 11.086 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.846 18.776 12.649 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.030 16.538 13.315 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.293 16.324 11.740 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.543 17.734 12.205 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.532 18.832 13.148 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.253 17.906 14.839 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.621 16.811 14.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.534 15.608 14.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.386 15.276 13.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.061 16.337 13.421 1.00 0.00 H new ATOM 520 N ASP A 32 -14.087 17.258 8.927 1.00 0.00 N ATOM 521 CA ASP A 32 -14.427 17.751 7.597 1.00 0.00 C ATOM 522 C ASP A 32 -15.759 17.174 7.128 1.00 0.00 C ATOM 523 O ASP A 32 -16.702 17.913 6.843 1.00 0.00 O ATOM 524 CB ASP A 32 -13.323 17.396 6.601 1.00 0.00 C ATOM 525 CG ASP A 32 -13.096 18.488 5.574 1.00 0.00 C ATOM 526 OD1 ASP A 32 -12.911 19.655 5.980 1.00 0.00 O ATOM 527 OD2 ASP A 32 -13.103 18.176 4.365 1.00 0.00 O ATOM 0 H ASP A 32 -13.757 16.293 8.947 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.521 18.836 7.651 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.395 17.212 7.142 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.583 16.469 6.090 1.00 0.00 H new ATOM 532 N LEU A 33 -15.829 15.850 7.049 1.00 0.00 N ATOM 533 CA LEU A 33 -17.045 15.172 6.613 1.00 0.00 C ATOM 534 C LEU A 33 -17.974 14.909 7.794 1.00 0.00 C ATOM 535 O LEU A 33 -19.195 14.893 7.644 1.00 0.00 O ATOM 536 CB LEU A 33 -16.697 13.854 5.919 1.00 0.00 C ATOM 537 CG LEU A 33 -15.706 12.950 6.653 1.00 0.00 C ATOM 538 CD1 LEU A 33 -16.357 11.622 7.006 1.00 0.00 C ATOM 539 CD2 LEU A 33 -14.460 12.728 5.808 1.00 0.00 C ATOM 0 H LEU A 33 -15.058 15.224 7.281 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.561 15.822 5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -17.619 13.295 5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -16.290 14.082 4.934 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.409 13.443 7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.637 10.991 7.528 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.218 11.799 7.650 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.683 11.122 6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.766 12.082 6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.739 12.256 4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.982 13.686 5.606 1.00 0.00 H new ATOM 551 N GLY A 34 -17.387 14.704 8.969 1.00 0.00 N ATOM 552 CA GLY A 34 -18.177 14.447 10.158 1.00 0.00 C ATOM 553 C GLY A 34 -19.066 13.228 10.011 1.00 0.00 C ATOM 554 O GLY A 34 -20.257 13.279 10.317 1.00 0.00 O ATOM 0 H GLY A 34 -16.378 14.711 9.118 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.511 14.307 11.010 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.794 15.319 10.376 1.00 0.00 H new ATOM 558 N ALA A 35 -18.487 12.129 9.538 1.00 0.00 N ATOM 559 CA ALA A 35 -19.234 10.891 9.351 1.00 0.00 C ATOM 560 C ALA A 35 -19.908 10.455 10.648 1.00 0.00 C ATOM 561 O ALA A 35 -21.117 10.615 10.814 1.00 0.00 O ATOM 562 CB ALA A 35 -18.316 9.793 8.836 1.00 0.00 C ATOM 0 H ALA A 35 -17.503 12.071 9.277 1.00 0.00 H new ATOM 0 HA ALA A 35 -20.013 11.074 8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -18.887 8.875 8.701 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -17.886 10.096 7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.516 9.620 9.556 1.00 0.00 H new ATOM 568 N ASP A 36 -19.119 9.904 11.563 1.00 0.00 N ATOM 569 CA ASP A 36 -19.639 9.444 12.845 1.00 0.00 C ATOM 570 C ASP A 36 -18.522 8.873 13.712 1.00 0.00 C ATOM 571 O ASP A 36 -17.836 7.914 13.360 1.00 0.00 O ATOM 572 CB ASP A 36 -20.725 8.389 12.630 1.00 0.00 C ATOM 573 CG ASP A 36 -22.068 8.819 13.189 1.00 0.00 C ATOM 574 OD1 ASP A 36 -22.764 9.609 12.519 1.00 0.00 O ATOM 575 OD2 ASP A 36 -22.422 8.364 14.298 1.00 0.00 O ATOM 0 H ASP A 36 -18.116 9.765 11.441 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.073 10.300 13.361 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.826 8.188 11.564 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.420 7.456 13.103 1.00 0.00 H new ATOM 580 N SER A 37 -18.320 9.477 14.896 1.00 0.00 N ATOM 581 CA SER A 37 -17.295 9.112 15.900 1.00 0.00 C ATOM 582 C SER A 37 -17.124 7.591 16.047 1.00 0.00 C ATOM 583 O SER A 37 -16.010 7.066 16.094 1.00 0.00 O ATOM 584 CB SER A 37 -17.712 9.769 17.226 1.00 0.00 C ATOM 585 OG SER A 37 -18.927 9.204 17.721 1.00 0.00 O ATOM 0 H SER A 37 -18.890 10.268 15.196 1.00 0.00 H new ATOM 0 HA SER A 37 -16.318 9.473 15.579 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.920 9.640 17.964 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.839 10.842 17.080 1.00 0.00 H new ATOM 0 HG SER A 37 -19.169 9.638 18.566 1.00 0.00 H new ATOM 590 N LEU A 38 -18.254 6.896 16.119 1.00 0.00 N ATOM 591 CA LEU A 38 -18.252 5.444 16.261 1.00 0.00 C ATOM 592 C LEU A 38 -17.510 4.785 15.103 1.00 0.00 C ATOM 593 O LEU A 38 -16.621 3.959 15.312 1.00 0.00 O ATOM 594 CB LEU A 38 -19.686 4.917 16.330 1.00 0.00 C ATOM 595 CG LEU A 38 -20.643 5.689 17.238 1.00 0.00 C ATOM 596 CD1 LEU A 38 -21.476 6.669 16.426 1.00 0.00 C ATOM 597 CD2 LEU A 38 -21.541 4.730 18.005 1.00 0.00 C ATOM 0 H LEU A 38 -19.183 7.315 16.081 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.735 5.194 17.188 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -20.099 4.912 15.321 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.655 3.881 16.666 1.00 0.00 H new ATOM 0 HG LEU A 38 -20.052 6.256 17.958 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.151 7.209 17.089 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.817 7.377 15.923 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -22.057 6.124 15.682 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.216 5.297 18.646 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -22.124 4.136 17.301 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -20.928 4.069 18.618 1.00 0.00 H new ATOM 609 N ASP A 39 -17.880 5.156 13.882 1.00 0.00 N ATOM 610 CA ASP A 39 -17.248 4.603 12.690 1.00 0.00 C ATOM 611 C ASP A 39 -15.810 5.096 12.559 1.00 0.00 C ATOM 612 O ASP A 39 -14.884 4.303 12.382 1.00 0.00 O ATOM 613 CB ASP A 39 -18.045 4.981 11.442 1.00 0.00 C ATOM 614 CG ASP A 39 -19.515 4.631 11.566 1.00 0.00 C ATOM 615 OD1 ASP A 39 -20.213 5.276 12.377 1.00 0.00 O ATOM 616 OD2 ASP A 39 -19.969 3.714 10.851 1.00 0.00 O ATOM 0 H ASP A 39 -18.615 5.838 13.692 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.234 3.517 12.787 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.943 6.051 11.260 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.624 4.469 10.577 1.00 0.00 H new ATOM 621 N LEU A 40 -15.630 6.409 12.647 1.00 0.00 N ATOM 622 CA LEU A 40 -14.305 7.009 12.537 1.00 0.00 C ATOM 623 C LEU A 40 -13.332 6.363 13.519 1.00 0.00 C ATOM 624 O LEU A 40 -12.264 5.890 13.130 1.00 0.00 O ATOM 625 CB LEU A 40 -14.382 8.515 12.794 1.00 0.00 C ATOM 626 CG LEU A 40 -14.499 9.402 11.555 1.00 0.00 C ATOM 627 CD1 LEU A 40 -13.278 9.238 10.664 1.00 0.00 C ATOM 628 CD2 LEU A 40 -15.771 9.079 10.785 1.00 0.00 C ATOM 0 H LEU A 40 -16.385 7.079 12.794 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.939 6.838 11.525 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -15.239 8.710 13.438 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.492 8.815 13.348 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.549 10.441 11.880 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.379 9.877 9.787 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.383 9.521 11.218 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.195 8.198 10.348 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -15.837 9.720 9.906 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.752 8.035 10.472 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -16.637 9.250 11.425 1.00 0.00 H new ATOM 640 N VAL A 41 -13.710 6.346 14.793 1.00 0.00 N ATOM 641 CA VAL A 41 -12.872 5.755 15.830 1.00 0.00 C ATOM 642 C VAL A 41 -12.708 4.255 15.616 1.00 0.00 C ATOM 643 O VAL A 41 -11.708 3.666 16.023 1.00 0.00 O ATOM 644 CB VAL A 41 -13.459 6.000 17.233 1.00 0.00 C ATOM 645 CG1 VAL A 41 -12.631 5.287 18.291 1.00 0.00 C ATOM 646 CG2 VAL A 41 -13.540 7.492 17.523 1.00 0.00 C ATOM 0 H VAL A 41 -14.590 6.734 15.132 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.897 6.238 15.762 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.469 5.592 17.262 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -13.061 5.472 19.275 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.630 4.216 18.091 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.608 5.662 18.266 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.957 7.647 18.518 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -12.541 7.927 17.476 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -14.180 7.972 16.783 1.00 0.00 H new ATOM 656 N GLU A 42 -13.697 3.642 14.972 1.00 0.00 N ATOM 657 CA GLU A 42 -13.662 2.210 14.704 1.00 0.00 C ATOM 658 C GLU A 42 -12.657 1.888 13.601 1.00 0.00 C ATOM 659 O GLU A 42 -11.613 1.284 13.853 1.00 0.00 O ATOM 660 CB GLU A 42 -15.051 1.708 14.305 1.00 0.00 C ATOM 661 CG GLU A 42 -15.864 1.175 15.473 1.00 0.00 C ATOM 662 CD GLU A 42 -15.818 -0.337 15.574 1.00 0.00 C ATOM 663 OE1 GLU A 42 -15.970 -1.007 14.531 1.00 0.00 O ATOM 664 OE2 GLU A 42 -15.628 -0.851 16.697 1.00 0.00 O ATOM 0 H GLU A 42 -14.532 4.115 14.627 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.350 1.703 15.617 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.600 2.522 13.832 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.943 0.921 13.559 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.489 1.609 16.400 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.900 1.497 15.367 1.00 0.00 H new ATOM 671 N LEU A 43 -12.980 2.293 12.378 1.00 0.00 N ATOM 672 CA LEU A 43 -12.107 2.048 11.235 1.00 0.00 C ATOM 673 C LEU A 43 -10.657 2.374 11.578 1.00 0.00 C ATOM 674 O LEU A 43 -9.738 1.659 11.176 1.00 0.00 O ATOM 675 CB LEU A 43 -12.559 2.882 10.035 1.00 0.00 C ATOM 676 CG LEU A 43 -12.484 4.399 10.205 1.00 0.00 C ATOM 677 CD1 LEU A 43 -11.207 4.943 9.584 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.705 5.066 9.589 1.00 0.00 C ATOM 0 H LEU A 43 -13.840 2.793 12.152 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.172 0.990 10.980 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.951 2.603 9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.589 2.614 9.799 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.470 4.626 11.271 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.171 6.025 9.715 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.344 4.490 10.071 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.190 4.705 8.520 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.634 6.146 9.720 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.750 4.831 8.526 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.606 4.699 10.080 1.00 0.00 H new ATOM 690 N ILE A 44 -10.460 3.456 12.323 1.00 0.00 N ATOM 691 CA ILE A 44 -9.122 3.874 12.723 1.00 0.00 C ATOM 692 C ILE A 44 -8.471 2.839 13.634 1.00 0.00 C ATOM 693 O ILE A 44 -7.329 2.435 13.417 1.00 0.00 O ATOM 694 CB ILE A 44 -9.149 5.234 13.446 1.00 0.00 C ATOM 695 CG1 ILE A 44 -9.511 6.350 12.465 1.00 0.00 C ATOM 696 CG2 ILE A 44 -7.804 5.512 14.101 1.00 0.00 C ATOM 697 CD1 ILE A 44 -9.946 7.631 13.141 1.00 0.00 C ATOM 0 H ILE A 44 -11.210 4.059 12.662 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.536 3.969 11.809 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.910 5.200 14.225 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.650 6.558 11.830 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.312 6.003 11.812 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.839 6.476 14.608 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.584 4.729 14.826 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.025 5.530 13.339 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.187 8.378 12.385 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.826 7.438 13.754 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.138 8.002 13.772 1.00 0.00 H new ATOM 709 N MET A 45 -9.207 2.412 14.655 1.00 0.00 N ATOM 710 CA MET A 45 -8.703 1.421 15.599 1.00 0.00 C ATOM 711 C MET A 45 -8.222 0.171 14.869 1.00 0.00 C ATOM 712 O MET A 45 -7.359 -0.554 15.363 1.00 0.00 O ATOM 713 CB MET A 45 -9.790 1.049 16.610 1.00 0.00 C ATOM 714 CG MET A 45 -10.611 -0.163 16.201 1.00 0.00 C ATOM 715 SD MET A 45 -9.967 -1.702 16.886 1.00 0.00 S ATOM 716 CE MET A 45 -10.648 -1.646 18.542 1.00 0.00 C ATOM 0 H MET A 45 -10.154 2.737 14.850 1.00 0.00 H new ATOM 0 HA MET A 45 -7.858 1.858 16.130 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.325 0.853 17.576 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.457 1.901 16.744 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.641 -0.027 16.530 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.630 -0.234 15.113 1.00 0.00 H new ATOM 0 HE1 MET A 45 -10.338 -2.534 19.093 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.285 -0.755 19.055 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.736 -1.615 18.487 1.00 0.00 H new ATOM 726 N ALA A 46 -8.786 -0.075 13.691 1.00 0.00 N ATOM 727 CA ALA A 46 -8.412 -1.236 12.893 1.00 0.00 C ATOM 728 C ALA A 46 -7.136 -0.971 12.101 1.00 0.00 C ATOM 729 O ALA A 46 -6.302 -1.861 11.932 1.00 0.00 O ATOM 730 CB ALA A 46 -9.547 -1.619 11.955 1.00 0.00 C ATOM 0 H ALA A 46 -9.503 0.514 13.268 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.220 -2.066 13.573 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.254 -2.487 11.365 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.436 -1.860 12.538 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.765 -0.785 11.289 1.00 0.00 H new ATOM 736 N LEU A 47 -6.990 0.258 11.618 1.00 0.00 N ATOM 737 CA LEU A 47 -5.814 0.640 10.843 1.00 0.00 C ATOM 738 C LEU A 47 -4.539 0.450 11.658 1.00 0.00 C ATOM 739 O LEU A 47 -3.560 -0.114 11.172 1.00 0.00 O ATOM 740 CB LEU A 47 -5.930 2.097 10.389 1.00 0.00 C ATOM 741 CG LEU A 47 -5.428 2.401 8.977 1.00 0.00 C ATOM 742 CD1 LEU A 47 -5.593 3.880 8.660 1.00 0.00 C ATOM 743 CD2 LEU A 47 -3.973 1.981 8.827 1.00 0.00 C ATOM 0 H LEU A 47 -7.670 1.007 11.749 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.762 -0.005 9.966 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.977 2.395 10.453 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.378 2.721 11.092 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.026 1.829 8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.231 4.079 7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.647 4.151 8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.020 4.471 9.374 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.632 2.205 7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.361 2.526 9.545 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.882 0.911 9.012 1.00 0.00 H new ATOM 755 N GLU A 48 -4.561 0.923 12.900 1.00 0.00 N ATOM 756 CA GLU A 48 -3.406 0.803 13.783 1.00 0.00 C ATOM 757 C GLU A 48 -3.272 -0.622 14.313 1.00 0.00 C ATOM 758 O GLU A 48 -2.173 -1.172 14.370 1.00 0.00 O ATOM 759 CB GLU A 48 -3.524 1.784 14.951 1.00 0.00 C ATOM 760 CG GLU A 48 -4.792 1.606 15.769 1.00 0.00 C ATOM 761 CD GLU A 48 -4.573 0.757 17.006 1.00 0.00 C ATOM 762 OE1 GLU A 48 -3.497 0.881 17.628 1.00 0.00 O ATOM 763 OE2 GLU A 48 -5.478 -0.031 17.353 1.00 0.00 O ATOM 0 H GLU A 48 -5.365 1.392 13.317 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.513 1.043 13.205 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.660 1.663 15.605 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.491 2.802 14.564 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.169 2.585 16.066 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.559 1.145 15.147 1.00 0.00 H new ATOM 770 N GLU A 49 -4.399 -1.212 14.699 1.00 0.00 N ATOM 771 CA GLU A 49 -4.407 -2.571 15.226 1.00 0.00 C ATOM 772 C GLU A 49 -3.750 -3.539 14.245 1.00 0.00 C ATOM 773 O GLU A 49 -3.153 -4.538 14.647 1.00 0.00 O ATOM 774 CB GLU A 49 -5.840 -3.020 15.519 1.00 0.00 C ATOM 775 CG GLU A 49 -5.939 -4.449 16.028 1.00 0.00 C ATOM 776 CD GLU A 49 -5.376 -4.610 17.426 1.00 0.00 C ATOM 777 OE1 GLU A 49 -5.245 -3.590 18.135 1.00 0.00 O ATOM 778 OE2 GLU A 49 -5.067 -5.757 17.812 1.00 0.00 O ATOM 0 H GLU A 49 -5.317 -0.770 14.657 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.835 -2.577 16.154 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.278 -2.349 16.258 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.434 -2.925 14.610 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.983 -4.761 16.023 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.405 -5.111 15.347 1.00 0.00 H new ATOM 785 N LYS A 50 -3.865 -3.235 12.957 1.00 0.00 N ATOM 786 CA LYS A 50 -3.283 -4.075 11.917 1.00 0.00 C ATOM 787 C LYS A 50 -1.813 -3.730 11.699 1.00 0.00 C ATOM 788 O LYS A 50 -0.967 -4.618 11.586 1.00 0.00 O ATOM 789 CB LYS A 50 -4.056 -3.910 10.607 1.00 0.00 C ATOM 790 CG LYS A 50 -3.541 -4.790 9.482 1.00 0.00 C ATOM 791 CD LYS A 50 -4.190 -4.436 8.154 1.00 0.00 C ATOM 792 CE LYS A 50 -5.638 -4.901 8.101 1.00 0.00 C ATOM 793 NZ LYS A 50 -5.799 -6.115 7.253 1.00 0.00 N ATOM 0 H LYS A 50 -4.356 -2.412 12.608 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.350 -5.113 12.243 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.107 -4.139 10.784 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.005 -2.867 10.294 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.460 -4.681 9.400 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.739 -5.836 9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.147 -3.357 8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.629 -4.895 7.340 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.988 -5.114 9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.263 -4.099 7.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.799 -6.401 7.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.488 -5.905 6.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.222 -6.889 7.641 1.00 0.00 H new ATOM 807 N PHE A 51 -1.515 -2.436 11.643 1.00 0.00 N ATOM 808 CA PHE A 51 -0.147 -1.975 11.439 1.00 0.00 C ATOM 809 C PHE A 51 0.744 -2.381 12.609 1.00 0.00 C ATOM 810 O PHE A 51 1.969 -2.380 12.499 1.00 0.00 O ATOM 811 CB PHE A 51 -0.120 -0.455 11.265 1.00 0.00 C ATOM 812 CG PHE A 51 -0.057 -0.016 9.830 1.00 0.00 C ATOM 813 CD1 PHE A 51 0.930 -0.500 8.987 1.00 0.00 C ATOM 814 CD2 PHE A 51 -0.985 0.880 9.325 1.00 0.00 C ATOM 815 CE1 PHE A 51 0.990 -0.099 7.665 1.00 0.00 C ATOM 816 CE2 PHE A 51 -0.930 1.284 8.004 1.00 0.00 C ATOM 817 CZ PHE A 51 0.060 0.795 7.174 1.00 0.00 C ATOM 0 H PHE A 51 -2.203 -1.688 11.736 1.00 0.00 H new ATOM 0 HA PHE A 51 0.237 -2.444 10.533 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.010 -0.029 11.728 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.741 -0.052 11.798 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.661 -1.199 9.367 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.760 1.267 9.970 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.764 -0.485 7.018 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.660 1.981 7.621 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.106 1.112 6.143 1.00 0.00 H new ATOM 827 N ASN A 52 0.118 -2.726 13.730 1.00 0.00 N ATOM 828 CA ASN A 52 0.853 -3.133 14.922 1.00 0.00 C ATOM 829 C ASN A 52 1.639 -1.961 15.502 1.00 0.00 C ATOM 830 O ASN A 52 2.831 -2.079 15.787 1.00 0.00 O ATOM 831 CB ASN A 52 1.804 -4.285 14.591 1.00 0.00 C ATOM 832 CG ASN A 52 2.273 -5.021 15.831 1.00 0.00 C ATOM 833 OD1 ASN A 52 3.332 -4.719 16.383 1.00 0.00 O ATOM 834 ND2 ASN A 52 1.486 -5.993 16.276 1.00 0.00 N ATOM 0 H ASN A 52 -0.896 -2.732 13.838 1.00 0.00 H new ATOM 0 HA ASN A 52 0.132 -3.469 15.667 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.303 -4.986 13.923 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.669 -3.896 14.054 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.750 -6.523 17.106 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.617 -6.210 15.788 1.00 0.00 H new ATOM 841 N VAL A 53 0.963 -0.830 15.676 1.00 0.00 N ATOM 842 CA VAL A 53 1.597 0.363 16.224 1.00 0.00 C ATOM 843 C VAL A 53 0.915 0.804 17.515 1.00 0.00 C ATOM 844 O VAL A 53 -0.024 0.161 17.985 1.00 0.00 O ATOM 845 CB VAL A 53 1.567 1.528 15.217 1.00 0.00 C ATOM 846 CG1 VAL A 53 2.891 1.626 14.475 1.00 0.00 C ATOM 847 CG2 VAL A 53 0.411 1.359 14.242 1.00 0.00 C ATOM 0 H VAL A 53 -0.024 -0.715 15.445 1.00 0.00 H new ATOM 0 HA VAL A 53 2.634 0.102 16.435 1.00 0.00 H new ATOM 0 HB VAL A 53 1.416 2.457 15.766 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.851 2.455 13.768 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.697 1.797 15.189 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.075 0.697 13.935 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.405 2.191 13.538 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.529 0.423 13.697 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.530 1.342 14.792 1.00 0.00 H new ATOM 857 N THR A 54 1.393 1.906 18.084 1.00 0.00 N ATOM 858 CA THR A 54 0.831 2.433 19.321 1.00 0.00 C ATOM 859 C THR A 54 0.498 3.915 19.186 1.00 0.00 C ATOM 860 O THR A 54 1.305 4.776 19.536 1.00 0.00 O ATOM 861 CB THR A 54 1.798 2.242 20.504 1.00 0.00 C ATOM 862 OG1 THR A 54 1.292 2.911 21.664 1.00 0.00 O ATOM 863 CG2 THR A 54 3.180 2.779 20.166 1.00 0.00 C ATOM 0 H THR A 54 2.169 2.451 17.707 1.00 0.00 H new ATOM 0 HA THR A 54 -0.084 1.874 19.516 1.00 0.00 H new ATOM 0 HB THR A 54 1.880 1.174 20.708 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.912 2.783 22.412 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.845 2.633 21.017 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.575 2.247 19.301 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.111 3.843 19.938 1.00 0.00 H new ATOM 871 N ILE A 55 -0.695 4.205 18.677 1.00 0.00 N ATOM 872 CA ILE A 55 -1.134 5.583 18.498 1.00 0.00 C ATOM 873 C ILE A 55 -2.393 5.868 19.310 1.00 0.00 C ATOM 874 O ILE A 55 -3.207 4.976 19.546 1.00 0.00 O ATOM 875 CB ILE A 55 -1.410 5.898 17.016 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.469 5.094 16.117 1.00 0.00 C ATOM 877 CG2 ILE A 55 -1.257 7.388 16.754 1.00 0.00 C ATOM 878 CD1 ILE A 55 -1.049 3.773 15.662 1.00 0.00 C ATOM 0 H ILE A 55 -1.374 3.504 18.381 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.324 6.221 18.851 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.436 5.612 16.784 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.218 5.692 15.241 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.461 4.907 16.653 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.455 7.595 15.702 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.965 7.941 17.372 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.241 7.698 17.000 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.327 3.258 15.029 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.275 3.156 16.532 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.964 3.953 15.097 1.00 0.00 H new ATOM 890 N SER A 56 -2.546 7.119 19.733 1.00 0.00 N ATOM 891 CA SER A 56 -3.705 7.523 20.521 1.00 0.00 C ATOM 892 C SER A 56 -3.945 9.025 20.403 1.00 0.00 C ATOM 893 O SER A 56 -4.928 9.462 19.804 1.00 0.00 O ATOM 894 CB SER A 56 -3.508 7.140 21.989 1.00 0.00 C ATOM 895 OG SER A 56 -3.252 5.753 22.125 1.00 0.00 O ATOM 0 H SER A 56 -1.882 7.870 19.543 1.00 0.00 H new ATOM 0 HA SER A 56 -4.579 7.001 20.131 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.678 7.709 22.408 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.397 7.406 22.560 1.00 0.00 H new ATOM 0 HG SER A 56 -3.565 5.283 21.324 1.00 0.00 H new ATOM 901 N ASP A 57 -3.041 9.809 20.979 1.00 0.00 N ATOM 902 CA ASP A 57 -3.153 11.262 20.939 1.00 0.00 C ATOM 903 C ASP A 57 -3.145 11.768 19.500 1.00 0.00 C ATOM 904 O ASP A 57 -3.565 12.892 19.225 1.00 0.00 O ATOM 905 CB ASP A 57 -2.009 11.905 21.725 1.00 0.00 C ATOM 906 CG ASP A 57 -2.191 13.401 21.893 1.00 0.00 C ATOM 907 OD1 ASP A 57 -3.333 13.881 21.736 1.00 0.00 O ATOM 908 OD2 ASP A 57 -1.191 14.092 22.182 1.00 0.00 O ATOM 0 H ASP A 57 -2.222 9.463 21.479 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.101 11.541 21.398 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.939 11.438 22.707 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.066 11.712 21.213 1.00 0.00 H new ATOM 913 N GLN A 58 -2.663 10.931 18.586 1.00 0.00 N ATOM 914 CA GLN A 58 -2.599 11.295 17.176 1.00 0.00 C ATOM 915 C GLN A 58 -3.476 10.373 16.335 1.00 0.00 C ATOM 916 O GLN A 58 -3.925 10.745 15.251 1.00 0.00 O ATOM 917 CB GLN A 58 -1.154 11.239 16.678 1.00 0.00 C ATOM 918 CG GLN A 58 -0.161 11.905 17.616 1.00 0.00 C ATOM 919 CD GLN A 58 -0.359 13.406 17.706 1.00 0.00 C ATOM 920 OE1 GLN A 58 -0.197 14.125 16.720 1.00 0.00 O ATOM 921 NE2 GLN A 58 -0.712 13.887 18.892 1.00 0.00 N ATOM 0 H GLN A 58 -2.312 9.997 18.797 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.972 12.314 17.073 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.867 10.197 16.539 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.096 11.719 15.701 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.258 11.469 18.610 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.853 11.696 17.274 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.835 13.255 19.683 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.860 14.889 19.012 1.00 0.00 H new ATOM 930 N ASP A 59 -3.714 9.168 16.842 1.00 0.00 N ATOM 931 CA ASP A 59 -4.537 8.192 16.138 1.00 0.00 C ATOM 932 C ASP A 59 -5.866 8.808 15.711 1.00 0.00 C ATOM 933 O ASP A 59 -6.473 8.379 14.731 1.00 0.00 O ATOM 934 CB ASP A 59 -4.788 6.971 17.024 1.00 0.00 C ATOM 935 CG ASP A 59 -6.170 6.983 17.647 1.00 0.00 C ATOM 936 OD1 ASP A 59 -6.318 7.545 18.753 1.00 0.00 O ATOM 937 OD2 ASP A 59 -7.104 6.430 17.029 1.00 0.00 O ATOM 0 H ASP A 59 -3.349 8.844 17.738 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.999 7.878 15.244 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.668 6.064 16.431 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.037 6.938 17.813 1.00 0.00 H new ATOM 942 N ALA A 60 -6.310 9.816 16.454 1.00 0.00 N ATOM 943 CA ALA A 60 -7.566 10.491 16.153 1.00 0.00 C ATOM 944 C ALA A 60 -7.317 11.878 15.568 1.00 0.00 C ATOM 945 O ALA A 60 -8.214 12.487 14.984 1.00 0.00 O ATOM 946 CB ALA A 60 -8.426 10.591 17.404 1.00 0.00 C ATOM 0 H ALA A 60 -5.818 10.183 17.269 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.097 9.900 15.407 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.361 11.097 17.163 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.641 9.590 17.778 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.893 11.157 18.168 1.00 0.00 H new ATOM 952 N LEU A 61 -6.094 12.371 15.729 1.00 0.00 N ATOM 953 CA LEU A 61 -5.727 13.687 15.218 1.00 0.00 C ATOM 954 C LEU A 61 -4.474 13.604 14.352 1.00 0.00 C ATOM 955 O LEU A 61 -3.482 14.286 14.609 1.00 0.00 O ATOM 956 CB LEU A 61 -5.497 14.660 16.375 1.00 0.00 C ATOM 957 CG LEU A 61 -6.703 14.928 17.277 1.00 0.00 C ATOM 958 CD1 LEU A 61 -6.720 13.959 18.448 1.00 0.00 C ATOM 959 CD2 LEU A 61 -6.689 16.367 17.772 1.00 0.00 C ATOM 0 H LEU A 61 -5.340 11.880 16.209 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.549 14.053 14.603 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.686 14.274 16.992 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.159 15.611 15.962 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.611 14.775 16.693 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.585 14.165 19.078 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.779 12.937 18.074 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.808 14.079 19.033 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.554 16.540 18.412 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.776 16.548 18.339 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.727 17.045 16.920 1.00 0.00 H new ATOM 971 N LYS A 62 -4.527 12.766 13.322 1.00 0.00 N ATOM 972 CA LYS A 62 -3.399 12.596 12.415 1.00 0.00 C ATOM 973 C LYS A 62 -3.879 12.258 11.007 1.00 0.00 C ATOM 974 O LYS A 62 -3.585 12.978 10.052 1.00 0.00 O ATOM 975 CB LYS A 62 -2.469 11.493 12.925 1.00 0.00 C ATOM 976 CG LYS A 62 -1.191 11.352 12.117 1.00 0.00 C ATOM 977 CD LYS A 62 -0.003 11.961 12.842 1.00 0.00 C ATOM 978 CE LYS A 62 0.592 10.991 13.851 1.00 0.00 C ATOM 979 NZ LYS A 62 1.460 11.685 14.842 1.00 0.00 N ATOM 0 H LYS A 62 -5.340 12.194 13.095 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.851 13.537 12.378 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.211 11.699 13.964 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.004 10.543 12.911 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.997 10.297 11.922 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.316 11.838 11.149 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.759 12.247 12.117 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.315 12.872 13.352 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.212 10.472 14.373 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.174 10.233 13.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.751 11.012 15.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.304 12.059 14.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.933 12.469 15.276 1.00 0.00 H new ATOM 993 N ILE A 63 -4.620 11.162 10.886 1.00 0.00 N ATOM 994 CA ILE A 63 -5.143 10.732 9.595 1.00 0.00 C ATOM 995 C ILE A 63 -6.108 11.764 9.022 1.00 0.00 C ATOM 996 O ILE A 63 -6.475 11.701 7.849 1.00 0.00 O ATOM 997 CB ILE A 63 -5.863 9.375 9.703 1.00 0.00 C ATOM 998 CG1 ILE A 63 -4.867 8.271 10.061 1.00 0.00 C ATOM 999 CG2 ILE A 63 -6.578 9.050 8.399 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -4.605 8.151 11.546 1.00 0.00 C ATOM 0 H ILE A 63 -4.872 10.555 11.666 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.288 10.628 8.927 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.607 9.437 10.497 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.244 7.318 9.689 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.924 8.463 9.548 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.082 8.088 8.491 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.313 9.826 8.184 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.852 9.003 7.588 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.890 7.348 11.726 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.198 9.090 11.921 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.538 7.928 12.063 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.514 12.715 9.857 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.436 13.762 9.433 1.00 0.00 C ATOM 1014 C ASN A 64 -7.022 14.338 8.082 1.00 0.00 C ATOM 1015 O ASN A 64 -7.864 14.758 7.288 1.00 0.00 O ATOM 1016 CB ASN A 64 -7.491 14.876 10.480 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.214 14.970 11.292 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -6.221 14.766 12.507 1.00 0.00 O ATOM 1019 ND2 ASN A 64 -5.109 15.279 10.624 1.00 0.00 N ATOM 0 H ASN A 64 -6.219 12.782 10.831 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.427 13.319 9.330 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.673 15.829 9.983 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.332 14.700 11.150 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.219 15.356 11.117 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.150 15.440 9.618 1.00 0.00 H new ATOM 1026 N THR A 65 -5.717 14.354 7.827 1.00 0.00 N ATOM 1027 CA THR A 65 -5.190 14.878 6.574 1.00 0.00 C ATOM 1028 C THR A 65 -4.458 13.794 5.789 1.00 0.00 C ATOM 1029 O THR A 65 -3.522 13.173 6.294 1.00 0.00 O ATOM 1030 CB THR A 65 -4.230 16.057 6.817 1.00 0.00 C ATOM 1031 OG1 THR A 65 -2.970 15.572 7.294 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.817 17.034 7.824 1.00 0.00 C ATOM 0 H THR A 65 -5.006 14.010 8.472 1.00 0.00 H new ATOM 0 HA THR A 65 -6.044 15.229 5.994 1.00 0.00 H new ATOM 0 HB THR A 65 -4.084 16.579 5.871 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.945 14.595 7.216 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.121 17.858 7.979 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.762 17.423 7.445 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.989 16.521 8.770 1.00 0.00 H new ATOM 1040 N VAL A 66 -4.889 13.573 4.552 1.00 0.00 N ATOM 1041 CA VAL A 66 -4.273 12.565 3.697 1.00 0.00 C ATOM 1042 C VAL A 66 -2.752 12.637 3.771 1.00 0.00 C ATOM 1043 O VAL A 66 -2.072 11.611 3.768 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.713 12.729 2.230 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -3.999 11.721 1.342 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -6.222 12.585 2.107 1.00 0.00 C ATOM 0 H VAL A 66 -5.662 14.078 4.119 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.606 11.593 4.062 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.438 13.730 1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.323 11.852 0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.922 11.877 1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.240 10.710 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.515 12.704 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.523 11.598 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.711 13.350 2.710 1.00 0.00 H new ATOM 1056 N GLN A 67 -2.225 13.855 3.837 1.00 0.00 N ATOM 1057 CA GLN A 67 -0.784 14.060 3.912 1.00 0.00 C ATOM 1058 C GLN A 67 -0.213 13.452 5.189 1.00 0.00 C ATOM 1059 O GLN A 67 0.658 12.583 5.138 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.456 15.553 3.854 1.00 0.00 C ATOM 1061 CG GLN A 67 0.902 15.855 3.240 1.00 0.00 C ATOM 1062 CD GLN A 67 2.005 14.983 3.807 1.00 0.00 C ATOM 1063 OE1 GLN A 67 2.629 14.205 3.085 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.251 15.108 5.105 1.00 0.00 N ATOM 0 H GLN A 67 -2.774 14.714 3.840 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.327 13.561 3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.228 16.064 3.278 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.488 15.963 4.863 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.849 15.711 2.161 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.149 16.903 3.410 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.709 15.766 5.666 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.982 14.547 5.542 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.709 13.913 6.331 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.249 13.413 7.622 1.00 0.00 C ATOM 1075 C ASP A 68 -0.491 11.912 7.741 1.00 0.00 C ATOM 1076 O ASP A 68 0.279 11.198 8.384 1.00 0.00 O ATOM 1077 CB ASP A 68 -0.958 14.148 8.760 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.332 13.866 10.111 1.00 0.00 C ATOM 1079 OD1 ASP A 68 0.820 13.383 10.141 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -0.993 14.126 11.138 1.00 0.00 O ATOM 0 H ASP A 68 -1.430 14.632 6.390 1.00 0.00 H new ATOM 0 HA ASP A 68 0.823 13.597 7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.932 15.221 8.568 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.007 13.853 8.781 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.565 11.439 7.117 1.00 0.00 N ATOM 1086 CA ALA A 69 -1.908 10.023 7.152 1.00 0.00 C ATOM 1087 C ALA A 69 -0.750 9.166 6.653 1.00 0.00 C ATOM 1088 O ALA A 69 -0.220 8.333 7.389 1.00 0.00 O ATOM 1089 CB ALA A 69 -3.157 9.762 6.324 1.00 0.00 C ATOM 0 H ALA A 69 -2.213 12.016 6.581 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.109 9.748 8.187 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.402 8.700 6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.989 10.339 6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.977 10.059 5.291 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.363 9.374 5.399 1.00 0.00 N ATOM 1096 CA ILE A 70 0.732 8.620 4.802 1.00 0.00 C ATOM 1097 C ILE A 70 2.035 8.851 5.560 1.00 0.00 C ATOM 1098 O ILE A 70 2.942 8.020 5.522 1.00 0.00 O ATOM 1099 CB ILE A 70 0.936 8.999 3.324 1.00 0.00 C ATOM 1100 CG1 ILE A 70 2.206 8.343 2.777 1.00 0.00 C ATOM 1101 CG2 ILE A 70 1.006 10.511 3.169 1.00 0.00 C ATOM 1102 CD1 ILE A 70 2.201 6.834 2.883 1.00 0.00 C ATOM 0 H ILE A 70 -0.792 10.059 4.777 1.00 0.00 H new ATOM 0 HA ILE A 70 0.461 7.566 4.864 1.00 0.00 H new ATOM 0 HB ILE A 70 0.084 8.634 2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.329 8.625 1.731 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.068 8.734 3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.150 10.763 2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.077 10.957 3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.841 10.898 3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.131 6.438 2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.109 6.543 3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.359 6.432 2.320 1.00 0.00 H new ATOM 1114 N ASP A 71 2.120 9.984 6.247 1.00 0.00 N ATOM 1115 CA ASP A 71 3.311 10.324 7.017 1.00 0.00 C ATOM 1116 C ASP A 71 3.326 9.584 8.351 1.00 0.00 C ATOM 1117 O ASP A 71 4.388 9.333 8.922 1.00 0.00 O ATOM 1118 CB ASP A 71 3.377 11.833 7.256 1.00 0.00 C ATOM 1119 CG ASP A 71 4.792 12.321 7.493 1.00 0.00 C ATOM 1120 OD1 ASP A 71 5.737 11.647 7.032 1.00 0.00 O ATOM 1121 OD2 ASP A 71 4.956 13.377 8.141 1.00 0.00 O ATOM 0 H ASP A 71 1.378 10.683 6.287 1.00 0.00 H new ATOM 0 HA ASP A 71 4.185 10.017 6.442 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.956 12.353 6.395 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.759 12.089 8.117 1.00 0.00 H new ATOM 1126 N TYR A 72 2.142 9.238 8.842 1.00 0.00 N ATOM 1127 CA TYR A 72 2.018 8.530 10.111 1.00 0.00 C ATOM 1128 C TYR A 72 2.273 7.037 9.929 1.00 0.00 C ATOM 1129 O TYR A 72 2.793 6.371 10.824 1.00 0.00 O ATOM 1130 CB TYR A 72 0.628 8.752 10.709 1.00 0.00 C ATOM 1131 CG TYR A 72 -0.087 7.469 11.071 1.00 0.00 C ATOM 1132 CD1 TYR A 72 0.281 6.738 12.194 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -1.131 6.989 10.289 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.369 5.566 12.527 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -1.787 5.818 10.617 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.403 5.110 11.736 1.00 0.00 C ATOM 1137 OH TYR A 72 -2.054 3.943 12.064 1.00 0.00 O ATOM 0 H TYR A 72 1.254 9.436 8.381 1.00 0.00 H new ATOM 0 HA TYR A 72 2.768 8.928 10.795 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.720 9.371 11.601 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.020 9.309 9.996 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.089 7.092 12.817 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.434 7.540 9.411 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.069 5.009 13.402 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.597 5.459 10.000 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.757 3.764 11.405 1.00 0.00 H new ATOM 1147 N ILE A 73 1.904 6.518 8.762 1.00 0.00 N ATOM 1148 CA ILE A 73 2.094 5.105 8.460 1.00 0.00 C ATOM 1149 C ILE A 73 3.498 4.841 7.929 1.00 0.00 C ATOM 1150 O ILE A 73 4.039 3.748 8.095 1.00 0.00 O ATOM 1151 CB ILE A 73 1.064 4.606 7.429 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.369 5.191 6.048 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.345 4.974 7.867 1.00 0.00 C ATOM 1154 CD1 ILE A 73 2.169 4.262 5.162 1.00 0.00 C ATOM 0 H ILE A 73 1.472 7.055 8.011 1.00 0.00 H new ATOM 0 HA ILE A 73 1.953 4.561 9.394 1.00 0.00 H new ATOM 0 HB ILE A 73 1.131 3.520 7.366 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.430 5.436 5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.918 6.125 6.171 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.061 4.615 7.128 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.558 4.514 8.832 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.427 6.057 7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.348 4.742 4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.123 4.037 5.638 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.613 3.337 5.008 1.00 0.00 H new ATOM 1166 N GLU A 74 4.083 5.849 7.291 1.00 0.00 N ATOM 1167 CA GLU A 74 5.426 5.725 6.736 1.00 0.00 C ATOM 1168 C GLU A 74 6.483 5.927 7.818 1.00 0.00 C ATOM 1169 O GLU A 74 7.529 5.278 7.809 1.00 0.00 O ATOM 1170 CB GLU A 74 5.633 6.741 5.610 1.00 0.00 C ATOM 1171 CG GLU A 74 5.029 6.310 4.283 1.00 0.00 C ATOM 1172 CD GLU A 74 5.861 5.255 3.579 1.00 0.00 C ATOM 1173 OE1 GLU A 74 6.999 5.002 4.027 1.00 0.00 O ATOM 1174 OE2 GLU A 74 5.374 4.684 2.582 1.00 0.00 O ATOM 0 H GLU A 74 3.649 6.760 7.145 1.00 0.00 H new ATOM 0 HA GLU A 74 5.532 4.718 6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.195 7.694 5.907 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.702 6.909 5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.025 5.921 4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.928 7.180 3.634 1.00 0.00 H new ATOM 1181 N LYS A 75 6.202 6.833 8.748 1.00 0.00 N ATOM 1182 CA LYS A 75 7.127 7.122 9.838 1.00 0.00 C ATOM 1183 C LYS A 75 7.093 6.016 10.888 1.00 0.00 C ATOM 1184 O LYS A 75 8.119 5.671 11.473 1.00 0.00 O ATOM 1185 CB LYS A 75 6.780 8.465 10.486 1.00 0.00 C ATOM 1186 CG LYS A 75 5.566 8.405 11.398 1.00 0.00 C ATOM 1187 CD LYS A 75 5.051 9.795 11.731 1.00 0.00 C ATOM 1188 CE LYS A 75 5.911 10.470 12.788 1.00 0.00 C ATOM 1189 NZ LYS A 75 7.004 11.278 12.181 1.00 0.00 N ATOM 0 H LYS A 75 5.341 7.380 8.769 1.00 0.00 H new ATOM 0 HA LYS A 75 8.133 7.174 9.423 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.638 8.814 11.060 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.599 9.201 9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.776 7.829 10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.826 7.882 12.318 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.037 10.405 10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.023 9.728 12.086 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.286 11.112 13.408 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.341 9.713 13.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.904 11.055 12.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.080 11.054 11.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.793 12.290 12.297 1.00 0.00 H new ATOM 1203 N ASN A 76 5.907 5.463 11.121 1.00 0.00 N ATOM 1204 CA ASN A 76 5.741 4.395 12.100 1.00 0.00 C ATOM 1205 C ASN A 76 6.013 3.032 11.470 1.00 0.00 C ATOM 1206 O ASN A 76 7.007 2.379 11.785 1.00 0.00 O ATOM 1207 CB ASN A 76 4.327 4.425 12.684 1.00 0.00 C ATOM 1208 CG ASN A 76 4.108 5.609 13.606 1.00 0.00 C ATOM 1209 OD1 ASN A 76 5.054 6.301 13.981 1.00 0.00 O ATOM 1210 ND2 ASN A 76 2.855 5.847 13.975 1.00 0.00 N ATOM 0 H ASN A 76 5.047 5.737 10.645 1.00 0.00 H new ATOM 0 HA ASN A 76 6.462 4.556 12.901 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.602 4.462 11.871 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.144 3.501 13.233 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.646 6.630 14.594 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.102 5.247 13.639 1.00 0.00 H new ATOM 1217 N ASN A 77 5.124 2.610 10.577 1.00 0.00 N ATOM 1218 CA ASN A 77 5.268 1.326 9.902 1.00 0.00 C ATOM 1219 C ASN A 77 5.933 1.498 8.539 1.00 0.00 C ATOM 1220 O ASN A 77 6.367 2.594 8.183 1.00 0.00 O ATOM 1221 CB ASN A 77 3.902 0.658 9.734 1.00 0.00 C ATOM 1222 CG ASN A 77 2.994 0.890 10.927 1.00 0.00 C ATOM 1223 OD1 ASN A 77 3.026 0.138 11.901 1.00 0.00 O ATOM 1224 ND2 ASN A 77 2.179 1.936 10.855 1.00 0.00 N ATOM 0 H ASN A 77 4.296 3.139 10.304 1.00 0.00 H new ATOM 0 HA ASN A 77 5.903 0.690 10.519 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.421 1.042 8.835 1.00 0.00 H new ATOM 0 HB3 ASN A 77 4.040 -0.413 9.589 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.545 2.143 11.627 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.187 2.532 10.028 1.00 0.00 H new