USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 22 GLN : amide:sc= 1.91 K(o=2.9,f=-1.4!) USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 1 USER MOD Set 2.1: A 44 SER OG : rot -153:sc= 1.31 USER MOD Set 2.2: A 45 THR OG1 : rot 170:sc= 1.03 USER MOD Set 3.1: A 2 SER OG : rot -74:sc= 1.75 USER MOD Set 3.2: A 41 LYS NZ :NH3+ -152:sc= 1.45 (180deg=0.147) USER MOD Single : A 1 LYS N :NH3+ -168:sc= -0.0049 (180deg=-0.119) USER MOD Single : A 1 LYS NZ :NH3+ 171:sc= 0.821 (180deg=0.674) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0316) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 1.13 K(o=1.1,f=-4.6e-05) USER MOD Single : A 24 SER OG : rot 71:sc= 1.19 USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 0.057 (180deg=0.0312) USER MOD Single : A 29 LYS NZ :NH3+ -155:sc=-0.00969 (180deg=-0.416) USER MOD Single : A 33 GLN : amide:sc= 1.03 K(o=1,f=-0.001) USER MOD Single : A 34 THR OG1 : rot -65:sc= 0.388 USER MOD Single : A 38 SER OG : rot 84:sc= 1.08 USER MOD Single : A 43 MET CE :methyl 180:sc=-0.00743 (180deg=-0.00743) USER MOD Single : A 55 LYS NZ :NH3+ 179:sc= 0.648 (180deg=0.644) USER MOD Single : A 56 ASN : amide:sc= 0.567 K(o=0.57,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.0814 K(o=-0.081,f=-0.59) USER MOD Single : A 71 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0966) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 58:sc= 0.694 USER MOD Single : A 75 GLN : amide:sc= 0.968 K(o=0.97,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -0.340 -1.028 0.799 1.00 0.00 N ATOM 2 CA LYS A 1 0.994 -0.829 0.198 1.00 0.00 C ATOM 3 C LYS A 1 0.945 -0.963 -1.326 1.00 0.00 C ATOM 4 O LYS A 1 1.536 -0.166 -2.057 1.00 0.00 O ATOM 5 CB LYS A 1 2.010 -1.805 0.814 1.00 0.00 C ATOM 6 CG LYS A 1 3.465 -1.380 0.574 1.00 0.00 C ATOM 7 CD LYS A 1 3.878 -0.234 1.507 1.00 0.00 C ATOM 8 CE LYS A 1 5.296 0.264 1.206 1.00 0.00 C ATOM 9 NZ LYS A 1 5.366 0.949 -0.097 1.00 0.00 N ATOM 0 H1 LYS A 1 -0.319 -0.734 1.796 1.00 0.00 H new ATOM 0 H2 LYS A 1 -1.041 -0.457 0.285 1.00 0.00 H new ATOM 0 H3 LYS A 1 -0.601 -2.033 0.740 1.00 0.00 H new ATOM 0 HA LYS A 1 1.320 0.187 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 1 1.831 -1.880 1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 1 1.853 -2.799 0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.125 -2.233 0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 1 3.588 -1.068 -0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 1 3.173 0.591 1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 1 3.823 -0.571 2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 1 5.618 0.946 1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 1 5.987 -0.579 1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 6.296 1.404 -0.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 5.232 0.256 -0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 4.620 1.671 -0.150 1.00 0.00 H new ATOM 25 N SER A 2 0.202 -1.965 -1.794 1.00 0.00 N ATOM 26 CA SER A 2 0.102 -2.344 -3.189 1.00 0.00 C ATOM 27 C SER A 2 -0.048 -1.170 -4.166 1.00 0.00 C ATOM 28 O SER A 2 0.701 -1.142 -5.139 1.00 0.00 O ATOM 29 CB SER A 2 -0.970 -3.426 -3.346 1.00 0.00 C ATOM 30 OG SER A 2 -0.714 -4.425 -2.377 1.00 0.00 O ATOM 0 H SER A 2 -0.365 -2.553 -1.183 1.00 0.00 H new ATOM 0 HA SER A 2 1.063 -2.766 -3.484 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.965 -3.003 -3.206 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.942 -3.850 -4.350 1.00 0.00 H new ATOM 0 HG SER A 2 0.064 -4.955 -2.651 1.00 0.00 H new ATOM 36 N PRO A 3 -0.943 -0.188 -3.941 1.00 0.00 N ATOM 37 CA PRO A 3 -1.033 0.992 -4.793 1.00 0.00 C ATOM 38 C PRO A 3 0.333 1.620 -5.084 1.00 0.00 C ATOM 39 O PRO A 3 0.651 1.906 -6.237 1.00 0.00 O ATOM 40 CB PRO A 3 -1.953 1.966 -4.048 1.00 0.00 C ATOM 41 CG PRO A 3 -2.873 1.025 -3.278 1.00 0.00 C ATOM 42 CD PRO A 3 -1.910 -0.082 -2.856 1.00 0.00 C ATOM 0 HA PRO A 3 -1.427 0.729 -5.774 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -1.394 2.623 -3.382 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -2.508 2.605 -4.734 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -3.333 1.515 -2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -3.683 0.646 -3.901 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -1.419 0.163 -1.914 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -2.436 -1.024 -2.705 1.00 0.00 H new ATOM 50 N GLU A 4 1.147 1.815 -4.041 1.00 0.00 N ATOM 51 CA GLU A 4 2.449 2.448 -4.163 1.00 0.00 C ATOM 52 C GLU A 4 3.387 1.553 -4.969 1.00 0.00 C ATOM 53 O GLU A 4 4.060 2.023 -5.882 1.00 0.00 O ATOM 54 CB GLU A 4 3.043 2.723 -2.776 1.00 0.00 C ATOM 55 CG GLU A 4 2.122 3.584 -1.901 1.00 0.00 C ATOM 56 CD GLU A 4 2.773 3.899 -0.557 1.00 0.00 C ATOM 57 OE1 GLU A 4 3.213 2.930 0.099 1.00 0.00 O ATOM 58 OE2 GLU A 4 2.823 5.099 -0.213 1.00 0.00 O ATOM 0 H GLU A 4 0.913 1.535 -3.089 1.00 0.00 H new ATOM 0 HA GLU A 4 2.330 3.399 -4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.235 1.776 -2.273 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.004 3.225 -2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.887 4.513 -2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.179 3.062 -1.738 1.00 0.00 H new ATOM 65 N GLU A 5 3.437 0.266 -4.610 1.00 0.00 N ATOM 66 CA GLU A 5 4.296 -0.707 -5.275 1.00 0.00 C ATOM 67 C GLU A 5 3.993 -0.732 -6.772 1.00 0.00 C ATOM 68 O GLU A 5 4.890 -0.581 -7.600 1.00 0.00 O ATOM 69 CB GLU A 5 4.097 -2.098 -4.661 1.00 0.00 C ATOM 70 CG GLU A 5 4.538 -2.130 -3.194 1.00 0.00 C ATOM 71 CD GLU A 5 4.196 -3.464 -2.544 1.00 0.00 C ATOM 72 OE1 GLU A 5 4.985 -4.414 -2.741 1.00 0.00 O ATOM 73 OE2 GLU A 5 3.146 -3.509 -1.869 1.00 0.00 O ATOM 0 H GLU A 5 2.881 -0.126 -3.850 1.00 0.00 H new ATOM 0 HA GLU A 5 5.337 -0.416 -5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.047 -2.382 -4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.666 -2.833 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.612 -1.957 -3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.052 -1.321 -2.648 1.00 0.00 H new ATOM 80 N LEU A 6 2.713 -0.915 -7.109 1.00 0.00 N ATOM 81 CA LEU A 6 2.262 -0.930 -8.487 1.00 0.00 C ATOM 82 C LEU A 6 2.661 0.389 -9.146 1.00 0.00 C ATOM 83 O LEU A 6 3.372 0.387 -10.148 1.00 0.00 O ATOM 84 CB LEU A 6 0.741 -1.130 -8.567 1.00 0.00 C ATOM 85 CG LEU A 6 0.262 -2.495 -8.052 1.00 0.00 C ATOM 86 CD1 LEU A 6 -1.264 -2.467 -7.908 1.00 0.00 C ATOM 87 CD2 LEU A 6 0.667 -3.653 -8.971 1.00 0.00 C ATOM 0 H LEU A 6 1.967 -1.056 -6.428 1.00 0.00 H new ATOM 0 HA LEU A 6 2.730 -1.764 -9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.251 -0.344 -7.992 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.424 -1.012 -9.603 1.00 0.00 H new ATOM 0 HG LEU A 6 0.742 -2.669 -7.089 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.613 -3.433 -7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.549 -1.687 -7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.717 -2.261 -8.878 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.301 -4.592 -8.556 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.235 -3.501 -9.960 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.753 -3.691 -9.051 1.00 0.00 H new ATOM 99 N LYS A 7 2.202 1.517 -8.593 1.00 0.00 N ATOM 100 CA LYS A 7 2.399 2.824 -9.200 1.00 0.00 C ATOM 101 C LYS A 7 3.876 3.105 -9.465 1.00 0.00 C ATOM 102 O LYS A 7 4.240 3.426 -10.592 1.00 0.00 O ATOM 103 CB LYS A 7 1.767 3.918 -8.337 1.00 0.00 C ATOM 104 CG LYS A 7 1.902 5.278 -9.033 1.00 0.00 C ATOM 105 CD LYS A 7 1.133 6.375 -8.296 1.00 0.00 C ATOM 106 CE LYS A 7 -0.380 6.232 -8.509 1.00 0.00 C ATOM 107 NZ LYS A 7 -1.111 7.399 -7.987 1.00 0.00 N ATOM 0 H LYS A 7 1.685 1.542 -7.714 1.00 0.00 H new ATOM 0 HA LYS A 7 1.897 2.823 -10.168 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.715 3.692 -8.162 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.253 3.949 -7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.955 5.552 -9.094 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.533 5.201 -10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.359 6.328 -7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.462 7.353 -8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.589 6.116 -9.572 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.734 5.328 -8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.130 7.270 -8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.930 7.494 -6.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.790 8.258 -8.478 1.00 0.00 H new ATOM 121 N GLY A 8 4.715 3.001 -8.434 1.00 0.00 N ATOM 122 CA GLY A 8 6.131 3.325 -8.519 1.00 0.00 C ATOM 123 C GLY A 8 6.783 2.685 -9.744 1.00 0.00 C ATOM 124 O GLY A 8 7.459 3.357 -10.523 1.00 0.00 O ATOM 0 H GLY A 8 4.423 2.686 -7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.255 4.407 -8.564 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.638 2.983 -7.616 1.00 0.00 H new ATOM 128 N ILE A 9 6.563 1.383 -9.926 1.00 0.00 N ATOM 129 CA ILE A 9 7.118 0.652 -11.057 1.00 0.00 C ATOM 130 C ILE A 9 6.363 1.034 -12.340 1.00 0.00 C ATOM 131 O ILE A 9 6.973 1.233 -13.394 1.00 0.00 O ATOM 132 CB ILE A 9 7.088 -0.862 -10.770 1.00 0.00 C ATOM 133 CG1 ILE A 9 7.751 -1.192 -9.417 1.00 0.00 C ATOM 134 CG2 ILE A 9 7.804 -1.604 -11.908 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.656 -2.679 -9.056 1.00 0.00 C ATOM 0 H ILE A 9 5.999 0.812 -9.297 1.00 0.00 H new ATOM 0 HA ILE A 9 8.163 0.924 -11.207 1.00 0.00 H new ATOM 0 HB ILE A 9 6.049 -1.186 -10.713 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.800 -0.897 -9.450 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.278 -0.601 -8.632 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.786 -2.676 -11.711 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.297 -1.400 -12.851 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.838 -1.264 -11.971 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.139 -2.852 -8.094 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.608 -2.972 -8.993 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.153 -3.272 -9.824 1.00 0.00 H new ATOM 147 N PHE A 10 5.033 1.144 -12.250 1.00 0.00 N ATOM 148 CA PHE A 10 4.159 1.423 -13.381 1.00 0.00 C ATOM 149 C PHE A 10 4.630 2.686 -14.082 1.00 0.00 C ATOM 150 O PHE A 10 4.803 2.678 -15.290 1.00 0.00 O ATOM 151 CB PHE A 10 2.696 1.543 -12.922 1.00 0.00 C ATOM 152 CG PHE A 10 1.670 1.742 -14.024 1.00 0.00 C ATOM 153 CD1 PHE A 10 1.556 2.990 -14.666 1.00 0.00 C ATOM 154 CD2 PHE A 10 0.740 0.727 -14.319 1.00 0.00 C ATOM 155 CE1 PHE A 10 0.593 3.182 -15.668 1.00 0.00 C ATOM 156 CE2 PHE A 10 -0.261 0.940 -15.284 1.00 0.00 C ATOM 157 CZ PHE A 10 -0.322 2.162 -15.975 1.00 0.00 C ATOM 0 H PHE A 10 4.530 1.038 -11.369 1.00 0.00 H new ATOM 0 HA PHE A 10 4.206 0.595 -14.089 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.434 0.642 -12.367 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.621 2.379 -12.227 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.212 3.801 -14.386 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.795 -0.220 -13.802 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.555 4.118 -16.205 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.983 0.164 -15.494 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.070 2.316 -16.739 1.00 0.00 H new ATOM 167 N GLU A 11 4.852 3.763 -13.329 1.00 0.00 N ATOM 168 CA GLU A 11 5.280 5.042 -13.874 1.00 0.00 C ATOM 169 C GLU A 11 6.532 4.883 -14.741 1.00 0.00 C ATOM 170 O GLU A 11 6.604 5.448 -15.831 1.00 0.00 O ATOM 171 CB GLU A 11 5.509 6.030 -12.725 1.00 0.00 C ATOM 172 CG GLU A 11 4.175 6.388 -12.054 1.00 0.00 C ATOM 173 CD GLU A 11 4.374 7.255 -10.814 1.00 0.00 C ATOM 174 OE1 GLU A 11 5.156 6.826 -9.938 1.00 0.00 O ATOM 175 OE2 GLU A 11 3.725 8.321 -10.754 1.00 0.00 O ATOM 0 H GLU A 11 4.738 3.768 -12.315 1.00 0.00 H new ATOM 0 HA GLU A 11 4.498 5.435 -14.523 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.187 5.594 -11.991 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.987 6.933 -13.103 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.540 6.915 -12.767 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.652 5.473 -11.777 1.00 0.00 H new ATOM 182 N LYS A 12 7.513 4.105 -14.275 1.00 0.00 N ATOM 183 CA LYS A 12 8.739 3.870 -15.025 1.00 0.00 C ATOM 184 C LYS A 12 8.412 3.153 -16.337 1.00 0.00 C ATOM 185 O LYS A 12 8.755 3.628 -17.420 1.00 0.00 O ATOM 186 CB LYS A 12 9.738 3.064 -14.181 1.00 0.00 C ATOM 187 CG LYS A 12 10.092 3.790 -12.877 1.00 0.00 C ATOM 188 CD LYS A 12 11.066 2.942 -12.050 1.00 0.00 C ATOM 189 CE LYS A 12 11.292 3.547 -10.659 1.00 0.00 C ATOM 190 NZ LYS A 12 11.898 4.889 -10.730 1.00 0.00 N ATOM 0 H LYS A 12 7.476 3.627 -13.375 1.00 0.00 H new ATOM 0 HA LYS A 12 9.205 4.826 -15.263 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.314 2.087 -13.950 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.646 2.890 -14.759 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.540 4.758 -13.101 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.187 3.983 -12.302 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.674 1.930 -11.949 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.019 2.864 -12.574 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.340 3.607 -10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.938 2.888 -10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.096 5.232 -9.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.786 4.841 -11.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.241 5.542 -11.202 1.00 0.00 H new ATOM 204 N TYR A 13 7.724 2.013 -16.238 1.00 0.00 N ATOM 205 CA TYR A 13 7.355 1.221 -17.408 1.00 0.00 C ATOM 206 C TYR A 13 6.483 2.034 -18.375 1.00 0.00 C ATOM 207 O TYR A 13 6.573 1.873 -19.589 1.00 0.00 O ATOM 208 CB TYR A 13 6.662 -0.075 -16.958 1.00 0.00 C ATOM 209 CG TYR A 13 7.495 -1.095 -16.191 1.00 0.00 C ATOM 210 CD1 TYR A 13 8.895 -0.971 -16.051 1.00 0.00 C ATOM 211 CD2 TYR A 13 6.848 -2.218 -15.642 1.00 0.00 C ATOM 212 CE1 TYR A 13 9.624 -1.934 -15.332 1.00 0.00 C ATOM 213 CE2 TYR A 13 7.575 -3.164 -14.897 1.00 0.00 C ATOM 214 CZ TYR A 13 8.963 -3.030 -14.754 1.00 0.00 C ATOM 215 OH TYR A 13 9.656 -3.945 -14.020 1.00 0.00 O ATOM 0 H TYR A 13 7.410 1.618 -15.352 1.00 0.00 H new ATOM 0 HA TYR A 13 8.258 0.951 -17.955 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.811 0.199 -16.335 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.263 -0.567 -17.845 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.408 -0.132 -16.498 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.787 -2.354 -15.794 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.694 -1.831 -15.224 1.00 0.00 H new ATOM 0 HE2 TYR A 13 7.063 -3.995 -14.434 1.00 0.00 H new ATOM 0 HH TYR A 13 9.042 -4.636 -13.694 1.00 0.00 H new ATOM 225 N ALA A 14 5.630 2.908 -17.847 1.00 0.00 N ATOM 226 CA ALA A 14 4.678 3.705 -18.600 1.00 0.00 C ATOM 227 C ALA A 14 5.383 4.864 -19.297 1.00 0.00 C ATOM 228 O ALA A 14 5.093 5.156 -20.453 1.00 0.00 O ATOM 229 CB ALA A 14 3.549 4.148 -17.668 1.00 0.00 C ATOM 0 H ALA A 14 5.585 3.084 -16.843 1.00 0.00 H new ATOM 0 HA ALA A 14 4.228 3.111 -19.396 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.830 4.747 -18.227 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.049 3.270 -17.259 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.962 4.743 -16.853 1.00 0.00 H new ATOM 235 N ALA A 15 6.349 5.499 -18.626 1.00 0.00 N ATOM 236 CA ALA A 15 7.235 6.458 -19.270 1.00 0.00 C ATOM 237 C ALA A 15 7.987 5.766 -20.411 1.00 0.00 C ATOM 238 O ALA A 15 8.034 6.273 -21.530 1.00 0.00 O ATOM 239 CB ALA A 15 8.197 7.056 -18.241 1.00 0.00 C ATOM 0 H ALA A 15 6.533 5.361 -17.632 1.00 0.00 H new ATOM 0 HA ALA A 15 6.653 7.278 -19.691 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.856 7.772 -18.732 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.627 7.562 -17.462 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.794 6.260 -17.795 1.00 0.00 H new ATOM 245 N LYS A 16 8.537 4.576 -20.144 1.00 0.00 N ATOM 246 CA LYS A 16 9.106 3.714 -21.177 1.00 0.00 C ATOM 247 C LYS A 16 8.097 3.498 -22.316 1.00 0.00 C ATOM 248 O LYS A 16 8.452 3.649 -23.482 1.00 0.00 O ATOM 249 CB LYS A 16 9.631 2.420 -20.529 1.00 0.00 C ATOM 250 CG LYS A 16 9.636 1.186 -21.439 1.00 0.00 C ATOM 251 CD LYS A 16 10.207 -0.013 -20.669 1.00 0.00 C ATOM 252 CE LYS A 16 10.042 -1.324 -21.445 1.00 0.00 C ATOM 253 NZ LYS A 16 10.789 -1.312 -22.714 1.00 0.00 N ATOM 0 H LYS A 16 8.598 4.186 -19.203 1.00 0.00 H new ATOM 0 HA LYS A 16 9.965 4.191 -21.649 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.648 2.596 -20.178 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.024 2.201 -19.651 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.624 0.966 -21.778 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.235 1.379 -22.329 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.264 0.157 -20.465 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.706 -0.097 -19.705 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.386 -2.155 -20.830 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.985 -1.494 -21.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.650 -2.217 -23.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.444 -0.535 -23.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.801 -1.175 -22.520 1.00 0.00 H new ATOM 267 N GLU A 17 6.833 3.202 -21.996 1.00 0.00 N ATOM 268 CA GLU A 17 5.750 3.094 -22.973 1.00 0.00 C ATOM 269 C GLU A 17 5.202 4.477 -23.382 1.00 0.00 C ATOM 270 O GLU A 17 4.042 4.596 -23.780 1.00 0.00 O ATOM 271 CB GLU A 17 4.648 2.168 -22.418 1.00 0.00 C ATOM 272 CG GLU A 17 3.849 1.478 -23.538 1.00 0.00 C ATOM 273 CD GLU A 17 2.709 0.614 -23.000 1.00 0.00 C ATOM 274 OE1 GLU A 17 3.007 -0.353 -22.266 1.00 0.00 O ATOM 275 OE2 GLU A 17 1.543 0.906 -23.343 1.00 0.00 O ATOM 0 H GLU A 17 6.532 3.029 -21.037 1.00 0.00 H new ATOM 0 HA GLU A 17 6.144 2.650 -23.887 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.101 1.411 -21.778 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.968 2.748 -21.794 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.441 2.235 -24.208 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.522 0.858 -24.130 1.00 0.00 H new ATOM 282 N GLY A 18 6.013 5.537 -23.313 1.00 0.00 N ATOM 283 CA GLY A 18 5.633 6.872 -23.735 1.00 0.00 C ATOM 284 C GLY A 18 4.691 7.539 -22.734 1.00 0.00 C ATOM 285 O GLY A 18 5.070 8.507 -22.077 1.00 0.00 O ATOM 0 H GLY A 18 6.966 5.482 -22.955 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.527 7.483 -23.855 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.149 6.821 -24.710 1.00 0.00 H new ATOM 289 N ASP A 19 3.445 7.066 -22.656 1.00 0.00 N ATOM 290 CA ASP A 19 2.406 7.697 -21.852 1.00 0.00 C ATOM 291 C ASP A 19 2.495 7.194 -20.407 1.00 0.00 C ATOM 292 O ASP A 19 2.079 6.065 -20.152 1.00 0.00 O ATOM 293 CB ASP A 19 1.025 7.396 -22.454 1.00 0.00 C ATOM 294 CG ASP A 19 -0.115 8.133 -21.747 1.00 0.00 C ATOM 295 OD1 ASP A 19 0.073 8.550 -20.580 1.00 0.00 O ATOM 296 OD2 ASP A 19 -1.177 8.267 -22.390 1.00 0.00 O ATOM 0 H ASP A 19 3.131 6.232 -23.152 1.00 0.00 H new ATOM 0 HA ASP A 19 2.550 8.777 -21.851 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.028 7.671 -23.509 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.841 6.323 -22.405 1.00 0.00 H new ATOM 301 N PRO A 20 2.926 8.021 -19.435 1.00 0.00 N ATOM 302 CA PRO A 20 3.117 7.593 -18.054 1.00 0.00 C ATOM 303 C PRO A 20 1.830 7.090 -17.387 1.00 0.00 C ATOM 304 O PRO A 20 1.893 6.461 -16.333 1.00 0.00 O ATOM 305 CB PRO A 20 3.703 8.800 -17.319 1.00 0.00 C ATOM 306 CG PRO A 20 3.179 9.987 -18.123 1.00 0.00 C ATOM 307 CD PRO A 20 3.188 9.449 -19.553 1.00 0.00 C ATOM 0 HA PRO A 20 3.786 6.733 -18.018 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.372 8.839 -16.281 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.793 8.773 -17.305 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.178 10.281 -17.807 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.818 10.864 -18.015 1.00 0.00 H new ATOM 0 HD2 PRO A 20 2.427 9.938 -20.161 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.148 9.633 -20.035 1.00 0.00 H new ATOM 315 N ASN A 21 0.660 7.362 -17.975 1.00 0.00 N ATOM 316 CA ASN A 21 -0.621 6.976 -17.406 1.00 0.00 C ATOM 317 C ASN A 21 -1.039 5.561 -17.808 1.00 0.00 C ATOM 318 O ASN A 21 -1.865 4.972 -17.112 1.00 0.00 O ATOM 319 CB ASN A 21 -1.716 7.950 -17.850 1.00 0.00 C ATOM 320 CG ASN A 21 -1.402 9.401 -17.506 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.715 9.872 -16.417 1.00 0.00 O ATOM 322 ND2 ASN A 21 -0.785 10.129 -18.433 1.00 0.00 N ATOM 0 H ASN A 21 0.582 7.859 -18.863 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.498 7.003 -16.323 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.858 7.861 -18.927 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.658 7.667 -17.380 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.560 11.106 -18.247 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.537 9.710 -19.329 1.00 0.00 H new ATOM 329 N GLN A 22 -0.515 5.025 -18.921 1.00 0.00 N ATOM 330 CA GLN A 22 -1.024 3.798 -19.529 1.00 0.00 C ATOM 331 C GLN A 22 0.047 2.708 -19.602 1.00 0.00 C ATOM 332 O GLN A 22 1.223 3.016 -19.776 1.00 0.00 O ATOM 333 CB GLN A 22 -1.525 4.091 -20.952 1.00 0.00 C ATOM 334 CG GLN A 22 -2.435 5.321 -21.084 1.00 0.00 C ATOM 335 CD GLN A 22 -3.691 5.244 -20.227 1.00 0.00 C ATOM 336 OE1 GLN A 22 -3.872 6.037 -19.308 1.00 0.00 O ATOM 337 NE2 GLN A 22 -4.576 4.297 -20.511 1.00 0.00 N ATOM 0 H GLN A 22 0.274 5.435 -19.421 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.839 3.439 -18.900 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.662 4.226 -21.603 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.066 3.218 -21.317 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.871 6.212 -20.808 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.724 5.438 -22.128 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.402 3.650 -21.280 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.431 4.216 -19.960 1.00 0.00 H new ATOM 346 N LEU A 23 -0.369 1.438 -19.529 1.00 0.00 N ATOM 347 CA LEU A 23 0.484 0.294 -19.822 1.00 0.00 C ATOM 348 C LEU A 23 -0.270 -0.776 -20.583 1.00 0.00 C ATOM 349 O LEU A 23 -1.386 -1.148 -20.239 1.00 0.00 O ATOM 350 CB LEU A 23 1.046 -0.364 -18.565 1.00 0.00 C ATOM 351 CG LEU A 23 2.268 0.362 -18.035 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.799 -0.370 -16.798 1.00 0.00 C ATOM 353 CD2 LEU A 23 3.392 0.459 -19.067 1.00 0.00 C ATOM 0 H LEU A 23 -1.319 1.179 -19.261 1.00 0.00 H new ATOM 0 HA LEU A 23 1.302 0.697 -20.419 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.276 -0.387 -17.794 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.307 -1.399 -18.785 1.00 0.00 H new ATOM 0 HG LEU A 23 1.954 1.376 -17.788 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.677 0.151 -16.416 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.027 -0.392 -16.029 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.071 -1.390 -17.068 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.240 0.988 -18.633 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.702 -0.543 -19.362 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.036 1.002 -19.943 1.00 0.00 H new ATOM 365 N SER A 24 0.391 -1.321 -21.592 1.00 0.00 N ATOM 366 CA SER A 24 -0.136 -2.444 -22.341 1.00 0.00 C ATOM 367 C SER A 24 0.105 -3.734 -21.561 1.00 0.00 C ATOM 368 O SER A 24 1.159 -3.883 -20.943 1.00 0.00 O ATOM 369 CB SER A 24 0.497 -2.471 -23.733 1.00 0.00 C ATOM 370 OG SER A 24 0.179 -1.267 -24.405 1.00 0.00 O ATOM 0 H SER A 24 1.304 -0.997 -21.912 1.00 0.00 H new ATOM 0 HA SER A 24 -1.213 -2.343 -22.476 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.578 -2.584 -23.653 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.128 -3.327 -24.298 1.00 0.00 H new ATOM 0 HG SER A 24 0.677 -0.526 -24.001 1.00 0.00 H new ATOM 376 N LYS A 25 -0.881 -4.641 -21.581 1.00 0.00 N ATOM 377 CA LYS A 25 -0.821 -5.992 -21.006 1.00 0.00 C ATOM 378 C LYS A 25 0.585 -6.547 -20.769 1.00 0.00 C ATOM 379 O LYS A 25 0.890 -6.953 -19.654 1.00 0.00 O ATOM 380 CB LYS A 25 -1.591 -6.985 -21.882 1.00 0.00 C ATOM 381 CG LYS A 25 -3.104 -6.886 -21.689 1.00 0.00 C ATOM 382 CD LYS A 25 -3.590 -7.536 -20.399 1.00 0.00 C ATOM 383 CE LYS A 25 -5.114 -7.428 -20.362 1.00 0.00 C ATOM 384 NZ LYS A 25 -5.571 -6.109 -19.900 1.00 0.00 N ATOM 0 H LYS A 25 -1.782 -4.445 -22.017 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.278 -5.881 -20.023 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.349 -6.804 -22.929 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.264 -7.999 -21.650 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.396 -5.836 -21.691 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.603 -7.357 -22.536 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.281 -8.580 -20.358 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.151 -7.040 -19.533 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.513 -7.620 -21.358 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.514 -8.199 -19.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.587 -6.005 -20.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.407 -6.024 -18.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.043 -5.364 -20.399 1.00 0.00 H new ATOM 398 N GLU A 26 1.427 -6.599 -21.802 1.00 0.00 N ATOM 399 CA GLU A 26 2.782 -7.129 -21.710 1.00 0.00 C ATOM 400 C GLU A 26 3.520 -6.523 -20.510 1.00 0.00 C ATOM 401 O GLU A 26 4.070 -7.234 -19.669 1.00 0.00 O ATOM 402 CB GLU A 26 3.553 -6.847 -23.013 1.00 0.00 C ATOM 403 CG GLU A 26 2.922 -7.476 -24.270 1.00 0.00 C ATOM 404 CD GLU A 26 1.759 -6.691 -24.884 1.00 0.00 C ATOM 405 OE1 GLU A 26 1.435 -5.607 -24.348 1.00 0.00 O ATOM 406 OE2 GLU A 26 1.205 -7.200 -25.880 1.00 0.00 O ATOM 0 H GLU A 26 1.181 -6.270 -22.736 1.00 0.00 H new ATOM 0 HA GLU A 26 2.722 -8.208 -21.565 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.621 -5.768 -23.155 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.572 -7.219 -22.907 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.698 -7.593 -25.026 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.570 -8.476 -24.017 1.00 0.00 H new ATOM 413 N GLU A 27 3.500 -5.193 -20.423 1.00 0.00 N ATOM 414 CA GLU A 27 4.122 -4.460 -19.339 1.00 0.00 C ATOM 415 C GLU A 27 3.364 -4.688 -18.030 1.00 0.00 C ATOM 416 O GLU A 27 3.987 -4.765 -16.974 1.00 0.00 O ATOM 417 CB GLU A 27 4.192 -2.974 -19.689 1.00 0.00 C ATOM 418 CG GLU A 27 5.111 -2.686 -20.886 1.00 0.00 C ATOM 419 CD GLU A 27 6.569 -3.023 -20.585 1.00 0.00 C ATOM 420 OE1 GLU A 27 7.161 -2.299 -19.756 1.00 0.00 O ATOM 421 OE2 GLU A 27 7.065 -4.000 -21.187 1.00 0.00 O ATOM 0 H GLU A 27 3.045 -4.596 -21.113 1.00 0.00 H new ATOM 0 HA GLU A 27 5.139 -4.827 -19.199 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.189 -2.610 -19.911 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.548 -2.418 -18.822 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.776 -3.264 -21.747 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.031 -1.634 -21.159 1.00 0.00 H new ATOM 428 N LEU A 28 2.032 -4.814 -18.075 1.00 0.00 N ATOM 429 CA LEU A 28 1.293 -5.183 -16.868 1.00 0.00 C ATOM 430 C LEU A 28 1.822 -6.498 -16.301 1.00 0.00 C ATOM 431 O LEU A 28 2.201 -6.544 -15.137 1.00 0.00 O ATOM 432 CB LEU A 28 -0.219 -5.288 -17.093 1.00 0.00 C ATOM 433 CG LEU A 28 -0.823 -4.038 -17.730 1.00 0.00 C ATOM 434 CD1 LEU A 28 -2.329 -4.242 -17.886 1.00 0.00 C ATOM 435 CD2 LEU A 28 -0.596 -2.786 -16.881 1.00 0.00 C ATOM 0 H LEU A 28 1.461 -4.671 -18.908 1.00 0.00 H new ATOM 0 HA LEU A 28 1.454 -4.376 -16.153 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.426 -6.148 -17.730 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.710 -5.474 -16.138 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.334 -3.890 -18.693 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.771 -3.355 -18.340 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.515 -5.107 -18.523 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.777 -4.410 -16.907 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.044 -1.924 -17.376 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.056 -2.922 -15.902 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.474 -2.619 -16.759 1.00 0.00 H new ATOM 447 N LYS A 29 1.869 -7.560 -17.110 1.00 0.00 N ATOM 448 CA LYS A 29 2.405 -8.846 -16.688 1.00 0.00 C ATOM 449 C LYS A 29 3.839 -8.669 -16.189 1.00 0.00 C ATOM 450 O LYS A 29 4.180 -9.165 -15.117 1.00 0.00 O ATOM 451 CB LYS A 29 2.354 -9.874 -17.830 1.00 0.00 C ATOM 452 CG LYS A 29 1.020 -10.628 -17.929 1.00 0.00 C ATOM 453 CD LYS A 29 -0.142 -9.734 -18.377 1.00 0.00 C ATOM 454 CE LYS A 29 -1.427 -10.540 -18.589 1.00 0.00 C ATOM 455 NZ LYS A 29 -1.318 -11.441 -19.751 1.00 0.00 N ATOM 0 H LYS A 29 1.536 -7.547 -18.074 1.00 0.00 H new ATOM 0 HA LYS A 29 1.787 -9.227 -15.875 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.542 -9.363 -18.774 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.159 -10.596 -17.692 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.127 -11.454 -18.632 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.783 -11.064 -16.959 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.316 -8.961 -17.628 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.126 -9.226 -19.303 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.642 -11.124 -17.694 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.265 -9.858 -18.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.267 -11.641 -20.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.744 -10.987 -20.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.866 -12.331 -19.459 1.00 0.00 H new ATOM 469 N LEU A 30 4.679 -7.962 -16.953 1.00 0.00 N ATOM 470 CA LEU A 30 6.055 -7.677 -16.554 1.00 0.00 C ATOM 471 C LEU A 30 6.076 -7.111 -15.134 1.00 0.00 C ATOM 472 O LEU A 30 6.890 -7.533 -14.316 1.00 0.00 O ATOM 473 CB LEU A 30 6.720 -6.710 -17.544 1.00 0.00 C ATOM 474 CG LEU A 30 8.191 -6.390 -17.226 1.00 0.00 C ATOM 475 CD1 LEU A 30 9.091 -7.622 -17.374 1.00 0.00 C ATOM 476 CD2 LEU A 30 8.677 -5.283 -18.168 1.00 0.00 C ATOM 0 H LEU A 30 4.422 -7.574 -17.861 1.00 0.00 H new ATOM 0 HA LEU A 30 6.626 -8.605 -16.567 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.662 -7.137 -18.545 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.153 -5.779 -17.561 1.00 0.00 H new ATOM 0 HG LEU A 30 8.250 -6.063 -16.188 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.120 -7.351 -17.140 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.757 -8.401 -16.689 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.037 -7.991 -18.398 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.719 -5.050 -17.949 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.590 -5.620 -19.201 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.068 -4.390 -18.025 1.00 0.00 H new ATOM 488 N LEU A 31 5.169 -6.174 -14.843 1.00 0.00 N ATOM 489 CA LEU A 31 5.019 -5.629 -13.514 1.00 0.00 C ATOM 490 C LEU A 31 4.456 -6.677 -12.568 1.00 0.00 C ATOM 491 O LEU A 31 5.230 -7.246 -11.825 1.00 0.00 O ATOM 492 CB LEU A 31 4.175 -4.348 -13.541 1.00 0.00 C ATOM 493 CG LEU A 31 4.487 -3.366 -12.412 1.00 0.00 C ATOM 494 CD1 LEU A 31 4.110 -1.958 -12.876 1.00 0.00 C ATOM 495 CD2 LEU A 31 3.667 -3.695 -11.165 1.00 0.00 C ATOM 0 H LEU A 31 4.525 -5.780 -15.529 1.00 0.00 H new ATOM 0 HA LEU A 31 6.002 -5.350 -13.134 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.328 -3.846 -14.496 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.121 -4.620 -13.489 1.00 0.00 H new ATOM 0 HG LEU A 31 5.547 -3.433 -12.169 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.326 -1.243 -12.082 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.688 -1.700 -13.763 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.047 -1.926 -13.114 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.905 -2.983 -10.375 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.605 -3.633 -11.401 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.905 -4.704 -10.829 1.00 0.00 H new ATOM 507 N LEU A 32 3.144 -6.934 -12.577 1.00 0.00 N ATOM 508 CA LEU A 32 2.360 -7.673 -11.588 1.00 0.00 C ATOM 509 C LEU A 32 3.188 -8.619 -10.729 1.00 0.00 C ATOM 510 O LEU A 32 3.274 -8.440 -9.514 1.00 0.00 O ATOM 511 CB LEU A 32 1.214 -8.412 -12.286 1.00 0.00 C ATOM 512 CG LEU A 32 0.090 -7.472 -12.743 1.00 0.00 C ATOM 513 CD1 LEU A 32 -0.954 -8.285 -13.513 1.00 0.00 C ATOM 514 CD2 LEU A 32 -0.567 -6.803 -11.536 1.00 0.00 C ATOM 0 H LEU A 32 2.556 -6.602 -13.341 1.00 0.00 H new ATOM 0 HA LEU A 32 1.953 -6.939 -10.892 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.607 -8.948 -13.150 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.803 -9.159 -11.607 1.00 0.00 H new ATOM 0 HG LEU A 32 0.507 -6.696 -13.385 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.758 -7.626 -13.842 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.486 -8.749 -14.381 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.363 -9.060 -12.864 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.362 -6.139 -11.876 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.987 -7.566 -10.881 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.179 -6.226 -10.989 1.00 0.00 H new ATOM 526 N GLN A 33 3.831 -9.570 -11.401 1.00 0.00 N ATOM 527 CA GLN A 33 4.855 -10.471 -10.896 1.00 0.00 C ATOM 528 C GLN A 33 5.609 -9.902 -9.680 1.00 0.00 C ATOM 529 O GLN A 33 5.619 -10.549 -8.642 1.00 0.00 O ATOM 530 CB GLN A 33 5.770 -10.830 -12.073 1.00 0.00 C ATOM 531 CG GLN A 33 4.975 -11.625 -13.118 1.00 0.00 C ATOM 532 CD GLN A 33 5.869 -12.065 -14.271 1.00 0.00 C ATOM 533 OE1 GLN A 33 6.363 -13.187 -14.292 1.00 0.00 O ATOM 534 NE2 GLN A 33 6.087 -11.182 -15.235 1.00 0.00 N ATOM 0 H GLN A 33 3.632 -9.741 -12.387 1.00 0.00 H new ATOM 0 HA GLN A 33 4.395 -11.379 -10.505 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.175 -9.923 -12.522 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.618 -11.418 -11.722 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.525 -12.500 -12.649 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.158 -11.013 -13.500 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.660 -10.257 -15.186 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.682 -11.427 -16.026 1.00 0.00 H new ATOM 543 N THR A 34 6.187 -8.702 -9.795 1.00 0.00 N ATOM 544 CA THR A 34 6.755 -7.838 -8.755 1.00 0.00 C ATOM 545 C THR A 34 6.158 -8.091 -7.356 1.00 0.00 C ATOM 546 O THR A 34 6.871 -8.478 -6.426 1.00 0.00 O ATOM 547 CB THR A 34 6.539 -6.377 -9.217 1.00 0.00 C ATOM 548 OG1 THR A 34 5.170 -6.152 -9.457 1.00 0.00 O ATOM 549 CG2 THR A 34 7.436 -6.013 -10.410 1.00 0.00 C ATOM 0 H THR A 34 6.278 -8.267 -10.713 1.00 0.00 H new ATOM 0 HA THR A 34 7.816 -8.060 -8.638 1.00 0.00 H new ATOM 0 HB THR A 34 6.846 -5.702 -8.418 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.874 -6.708 -10.208 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.252 -4.979 -10.702 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.482 -6.130 -10.127 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.211 -6.672 -11.249 1.00 0.00 H new ATOM 557 N GLU A 35 4.851 -7.872 -7.183 1.00 0.00 N ATOM 558 CA GLU A 35 4.212 -8.038 -5.881 1.00 0.00 C ATOM 559 C GLU A 35 4.065 -9.503 -5.430 1.00 0.00 C ATOM 560 O GLU A 35 3.792 -9.757 -4.257 1.00 0.00 O ATOM 561 CB GLU A 35 2.871 -7.307 -5.832 1.00 0.00 C ATOM 562 CG GLU A 35 3.004 -5.818 -5.503 1.00 0.00 C ATOM 563 CD GLU A 35 1.670 -5.285 -4.996 1.00 0.00 C ATOM 564 OE1 GLU A 35 1.441 -5.392 -3.770 1.00 0.00 O ATOM 565 OE2 GLU A 35 0.890 -4.799 -5.839 1.00 0.00 O ATOM 0 H GLU A 35 4.219 -7.580 -7.928 1.00 0.00 H new ATOM 0 HA GLU A 35 4.892 -7.582 -5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.370 -7.416 -6.794 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.234 -7.781 -5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.777 -5.670 -4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.314 -5.266 -6.390 1.00 0.00 H new ATOM 572 N GLY A 36 4.239 -10.471 -6.329 1.00 0.00 N ATOM 573 CA GLY A 36 4.337 -11.893 -6.050 1.00 0.00 C ATOM 574 C GLY A 36 5.406 -12.178 -4.990 1.00 0.00 C ATOM 575 O GLY A 36 5.056 -12.442 -3.845 1.00 0.00 O ATOM 0 H GLY A 36 4.319 -10.267 -7.325 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.372 -12.266 -5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.578 -12.430 -6.967 1.00 0.00 H new ATOM 579 N PRO A 37 6.707 -12.107 -5.310 1.00 0.00 N ATOM 580 CA PRO A 37 7.763 -12.242 -4.318 1.00 0.00 C ATOM 581 C PRO A 37 7.591 -11.314 -3.111 1.00 0.00 C ATOM 582 O PRO A 37 8.045 -11.653 -2.022 1.00 0.00 O ATOM 583 CB PRO A 37 9.066 -11.951 -5.065 1.00 0.00 C ATOM 584 CG PRO A 37 8.741 -12.391 -6.491 1.00 0.00 C ATOM 585 CD PRO A 37 7.284 -11.954 -6.633 1.00 0.00 C ATOM 0 HA PRO A 37 7.748 -13.243 -3.887 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.333 -10.895 -5.018 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.904 -12.510 -4.650 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.386 -11.907 -7.224 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.859 -13.466 -6.623 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.215 -10.921 -6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.759 -12.568 -7.365 1.00 0.00 H new ATOM 593 N SER A 38 6.962 -10.145 -3.290 1.00 0.00 N ATOM 594 CA SER A 38 6.934 -9.136 -2.240 1.00 0.00 C ATOM 595 C SER A 38 5.888 -9.460 -1.164 1.00 0.00 C ATOM 596 O SER A 38 6.219 -9.469 0.018 1.00 0.00 O ATOM 597 CB SER A 38 6.732 -7.744 -2.847 1.00 0.00 C ATOM 598 OG SER A 38 7.632 -7.521 -3.919 1.00 0.00 O ATOM 0 H SER A 38 6.472 -9.882 -4.145 1.00 0.00 H new ATOM 0 HA SER A 38 7.899 -9.142 -1.734 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.706 -7.644 -3.202 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.880 -6.984 -2.080 1.00 0.00 H new ATOM 0 HG SER A 38 7.260 -7.900 -4.743 1.00 0.00 H new ATOM 604 N LEU A 39 4.627 -9.697 -1.555 1.00 0.00 N ATOM 605 CA LEU A 39 3.532 -10.004 -0.628 1.00 0.00 C ATOM 606 C LEU A 39 2.614 -11.118 -1.157 1.00 0.00 C ATOM 607 O LEU A 39 1.538 -11.327 -0.604 1.00 0.00 O ATOM 608 CB LEU A 39 2.682 -8.748 -0.344 1.00 0.00 C ATOM 609 CG LEU A 39 3.414 -7.600 0.375 1.00 0.00 C ATOM 610 CD1 LEU A 39 3.875 -6.533 -0.621 1.00 0.00 C ATOM 611 CD2 LEU A 39 2.477 -6.929 1.388 1.00 0.00 C ATOM 0 H LEU A 39 4.338 -9.680 -2.533 1.00 0.00 H new ATOM 0 HA LEU A 39 3.999 -10.352 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.294 -8.372 -1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.822 -9.041 0.259 1.00 0.00 H new ATOM 0 HG LEU A 39 4.280 -8.029 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.389 -5.734 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.555 -6.981 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.010 -6.123 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.005 -6.119 1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.607 -6.528 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.153 -7.663 2.125 1.00 0.00 H new ATOM 623 N LEU A 40 2.993 -11.815 -2.232 1.00 0.00 N ATOM 624 CA LEU A 40 2.127 -12.741 -2.960 1.00 0.00 C ATOM 625 C LEU A 40 0.887 -12.015 -3.484 1.00 0.00 C ATOM 626 O LEU A 40 -0.211 -12.573 -3.526 1.00 0.00 O ATOM 627 CB LEU A 40 1.823 -14.006 -2.143 1.00 0.00 C ATOM 628 CG LEU A 40 3.101 -14.803 -1.830 1.00 0.00 C ATOM 629 CD1 LEU A 40 2.792 -15.823 -0.728 1.00 0.00 C ATOM 630 CD2 LEU A 40 3.633 -15.556 -3.058 1.00 0.00 C ATOM 0 H LEU A 40 3.931 -11.748 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 40 2.659 -13.105 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.331 -13.728 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.127 -14.637 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 40 3.865 -14.093 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.692 -16.394 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.455 -15.301 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.009 -16.501 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.536 -16.103 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.876 -16.257 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.865 -14.843 -3.849 1.00 0.00 H new ATOM 642 N LYS A 41 1.081 -10.777 -3.952 1.00 0.00 N ATOM 643 CA LYS A 41 0.011 -9.944 -4.487 1.00 0.00 C ATOM 644 C LYS A 41 0.352 -9.548 -5.919 1.00 0.00 C ATOM 645 O LYS A 41 0.129 -8.411 -6.320 1.00 0.00 O ATOM 646 CB LYS A 41 -0.230 -8.727 -3.578 1.00 0.00 C ATOM 647 CG LYS A 41 -0.722 -9.151 -2.188 1.00 0.00 C ATOM 648 CD LYS A 41 -0.930 -7.946 -1.259 1.00 0.00 C ATOM 649 CE LYS A 41 -2.235 -7.211 -1.573 1.00 0.00 C ATOM 650 NZ LYS A 41 -2.414 -6.040 -0.700 1.00 0.00 N ATOM 0 H LYS A 41 1.996 -10.326 -3.968 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.924 -10.504 -4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.694 -8.157 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.965 -8.067 -4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.659 -9.699 -2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.000 -9.833 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.942 -8.283 -0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.091 -7.258 -1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.234 -6.893 -2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.077 -7.892 -1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.429 -5.849 -0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.984 -6.230 0.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.955 -5.212 -1.131 1.00 0.00 H new ATOM 664 N GLY A 42 0.898 -10.496 -6.685 1.00 0.00 N ATOM 665 CA GLY A 42 1.155 -10.348 -8.107 1.00 0.00 C ATOM 666 C GLY A 42 0.716 -11.615 -8.826 1.00 0.00 C ATOM 667 O GLY A 42 -0.425 -11.736 -9.283 1.00 0.00 O ATOM 0 H GLY A 42 1.178 -11.406 -6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.615 -9.486 -8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.215 -10.165 -8.281 1.00 0.00 H new ATOM 671 N MET A 43 1.617 -12.598 -8.882 1.00 0.00 N ATOM 672 CA MET A 43 1.325 -13.878 -9.503 1.00 0.00 C ATOM 673 C MET A 43 0.566 -14.763 -8.509 1.00 0.00 C ATOM 674 O MET A 43 1.048 -15.804 -8.072 1.00 0.00 O ATOM 675 CB MET A 43 2.612 -14.484 -10.084 1.00 0.00 C ATOM 676 CG MET A 43 2.315 -15.194 -11.411 1.00 0.00 C ATOM 677 SD MET A 43 1.204 -16.620 -11.320 1.00 0.00 S ATOM 678 CE MET A 43 1.151 -17.071 -13.069 1.00 0.00 C ATOM 0 H MET A 43 2.560 -12.524 -8.500 1.00 0.00 H new ATOM 0 HA MET A 43 0.659 -13.767 -10.359 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.352 -13.700 -10.241 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.042 -15.191 -9.374 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.885 -14.467 -12.100 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.260 -15.522 -11.843 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.506 -17.940 -13.201 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.758 -16.235 -13.648 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.157 -17.310 -13.414 1.00 0.00 H new ATOM 688 N SER A 44 -0.633 -14.307 -8.143 1.00 0.00 N ATOM 689 CA SER A 44 -1.570 -15.009 -7.285 1.00 0.00 C ATOM 690 C SER A 44 -2.946 -14.910 -7.934 1.00 0.00 C ATOM 691 O SER A 44 -3.381 -15.839 -8.608 1.00 0.00 O ATOM 692 CB SER A 44 -1.514 -14.415 -5.872 1.00 0.00 C ATOM 693 OG SER A 44 -1.593 -12.999 -5.899 1.00 0.00 O ATOM 0 H SER A 44 -0.986 -13.401 -8.452 1.00 0.00 H new ATOM 0 HA SER A 44 -1.321 -16.065 -7.177 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.334 -14.815 -5.276 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.588 -14.719 -5.385 1.00 0.00 H new ATOM 0 HG SER A 44 -1.145 -12.631 -5.109 1.00 0.00 H new ATOM 699 N THR A 45 -3.603 -13.764 -7.767 1.00 0.00 N ATOM 700 CA THR A 45 -4.874 -13.453 -8.416 1.00 0.00 C ATOM 701 C THR A 45 -4.669 -12.479 -9.581 1.00 0.00 C ATOM 702 O THR A 45 -5.247 -12.656 -10.655 1.00 0.00 O ATOM 703 CB THR A 45 -5.868 -12.921 -7.374 1.00 0.00 C ATOM 704 OG1 THR A 45 -5.274 -11.901 -6.598 1.00 0.00 O ATOM 705 CG2 THR A 45 -6.315 -14.040 -6.428 1.00 0.00 C ATOM 0 H THR A 45 -3.261 -13.013 -7.167 1.00 0.00 H new ATOM 0 HA THR A 45 -5.295 -14.362 -8.845 1.00 0.00 H new ATOM 0 HB THR A 45 -6.729 -12.528 -7.915 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.960 -11.466 -6.049 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.019 -13.640 -5.698 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.798 -14.831 -7.002 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.447 -14.447 -5.909 1.00 0.00 H new ATOM 713 N LEU A 46 -3.843 -11.451 -9.371 1.00 0.00 N ATOM 714 CA LEU A 46 -3.698 -10.331 -10.293 1.00 0.00 C ATOM 715 C LEU A 46 -3.336 -10.826 -11.692 1.00 0.00 C ATOM 716 O LEU A 46 -4.091 -10.592 -12.636 1.00 0.00 O ATOM 717 CB LEU A 46 -2.668 -9.298 -9.814 1.00 0.00 C ATOM 718 CG LEU A 46 -2.941 -8.642 -8.451 1.00 0.00 C ATOM 719 CD1 LEU A 46 -2.697 -9.571 -7.257 1.00 0.00 C ATOM 720 CD2 LEU A 46 -2.027 -7.414 -8.323 1.00 0.00 C ATOM 0 H LEU A 46 -3.250 -11.376 -8.544 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.665 -9.829 -10.327 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.693 -9.783 -9.771 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.599 -8.511 -10.565 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.998 -8.377 -8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.911 -9.037 -6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.350 -10.441 -7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.657 -9.897 -7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.201 -6.929 -7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.985 -7.728 -8.387 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.245 -6.713 -9.128 1.00 0.00 H new ATOM 732 N ASP A 47 -2.193 -11.513 -11.841 1.00 0.00 N ATOM 733 CA ASP A 47 -1.762 -11.982 -13.155 1.00 0.00 C ATOM 734 C ASP A 47 -2.842 -12.848 -13.792 1.00 0.00 C ATOM 735 O ASP A 47 -3.143 -12.679 -14.969 1.00 0.00 O ATOM 736 CB ASP A 47 -0.447 -12.762 -13.084 1.00 0.00 C ATOM 737 CG ASP A 47 0.771 -11.845 -13.020 1.00 0.00 C ATOM 738 OD1 ASP A 47 1.141 -11.326 -14.095 1.00 0.00 O ATOM 739 OD2 ASP A 47 1.316 -11.682 -11.908 1.00 0.00 O ATOM 0 H ASP A 47 -1.562 -11.751 -11.076 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.593 -11.099 -13.771 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.458 -13.408 -12.206 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.365 -13.410 -13.956 1.00 0.00 H new ATOM 744 N GLU A 48 -3.438 -13.752 -13.014 1.00 0.00 N ATOM 745 CA GLU A 48 -4.428 -14.684 -13.526 1.00 0.00 C ATOM 746 C GLU A 48 -5.594 -13.916 -14.147 1.00 0.00 C ATOM 747 O GLU A 48 -5.952 -14.140 -15.304 1.00 0.00 O ATOM 748 CB GLU A 48 -4.902 -15.630 -12.413 1.00 0.00 C ATOM 749 CG GLU A 48 -3.747 -16.376 -11.729 1.00 0.00 C ATOM 750 CD GLU A 48 -2.913 -17.182 -12.718 1.00 0.00 C ATOM 751 OE1 GLU A 48 -3.322 -18.327 -13.007 1.00 0.00 O ATOM 752 OE2 GLU A 48 -1.890 -16.630 -13.176 1.00 0.00 O ATOM 0 H GLU A 48 -3.246 -13.854 -12.018 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.975 -15.297 -14.305 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.451 -15.057 -11.666 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.599 -16.356 -12.833 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.106 -15.658 -11.217 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.149 -17.044 -10.967 1.00 0.00 H new ATOM 759 N LEU A 49 -6.176 -12.978 -13.397 1.00 0.00 N ATOM 760 CA LEU A 49 -7.304 -12.229 -13.924 1.00 0.00 C ATOM 761 C LEU A 49 -6.846 -11.355 -15.091 1.00 0.00 C ATOM 762 O LEU A 49 -7.559 -11.236 -16.085 1.00 0.00 O ATOM 763 CB LEU A 49 -7.989 -11.426 -12.814 1.00 0.00 C ATOM 764 CG LEU A 49 -9.087 -12.210 -12.065 1.00 0.00 C ATOM 765 CD1 LEU A 49 -10.321 -12.463 -12.941 1.00 0.00 C ATOM 766 CD2 LEU A 49 -8.587 -13.528 -11.465 1.00 0.00 C ATOM 0 H LEU A 49 -5.891 -12.728 -12.450 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.053 -12.921 -14.310 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.236 -11.099 -12.097 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.428 -10.527 -13.247 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.378 -11.565 -11.236 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.065 -13.018 -12.370 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.744 -11.510 -13.258 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.032 -13.042 -13.818 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.408 -14.029 -10.953 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.210 -14.170 -12.261 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.787 -13.324 -10.754 1.00 0.00 H new ATOM 778 N PHE A 50 -5.643 -10.783 -15.016 1.00 0.00 N ATOM 779 CA PHE A 50 -5.094 -10.034 -16.136 1.00 0.00 C ATOM 780 C PHE A 50 -4.907 -10.894 -17.386 1.00 0.00 C ATOM 781 O PHE A 50 -5.088 -10.399 -18.497 1.00 0.00 O ATOM 782 CB PHE A 50 -3.839 -9.253 -15.728 1.00 0.00 C ATOM 783 CG PHE A 50 -4.208 -7.831 -15.368 1.00 0.00 C ATOM 784 CD1 PHE A 50 -4.296 -6.895 -16.413 1.00 0.00 C ATOM 785 CD2 PHE A 50 -4.901 -7.592 -14.167 1.00 0.00 C ATOM 786 CE1 PHE A 50 -5.107 -5.758 -16.285 1.00 0.00 C ATOM 787 CE2 PHE A 50 -5.710 -6.449 -14.034 1.00 0.00 C ATOM 788 CZ PHE A 50 -5.812 -5.531 -15.092 1.00 0.00 C ATOM 0 H PHE A 50 -5.038 -10.826 -14.196 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.835 -9.287 -16.423 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.359 -9.739 -14.879 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.118 -9.254 -16.546 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.734 -7.053 -17.322 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.812 -8.288 -13.346 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.189 -5.058 -17.103 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.254 -6.277 -13.117 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.431 -4.652 -14.988 1.00 0.00 H new ATOM 798 N GLU A 51 -4.578 -12.176 -17.239 1.00 0.00 N ATOM 799 CA GLU A 51 -4.536 -13.089 -18.369 1.00 0.00 C ATOM 800 C GLU A 51 -5.940 -13.315 -18.929 1.00 0.00 C ATOM 801 O GLU A 51 -6.101 -13.332 -20.145 1.00 0.00 O ATOM 802 CB GLU A 51 -3.858 -14.409 -17.975 1.00 0.00 C ATOM 803 CG GLU A 51 -2.351 -14.225 -17.740 1.00 0.00 C ATOM 804 CD GLU A 51 -1.741 -15.416 -17.007 1.00 0.00 C ATOM 805 OE1 GLU A 51 -1.964 -16.549 -17.486 1.00 0.00 O ATOM 806 OE2 GLU A 51 -1.057 -15.170 -15.990 1.00 0.00 O ATOM 0 H GLU A 51 -4.337 -12.602 -16.344 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.936 -12.639 -19.160 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.322 -14.801 -17.070 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.016 -15.148 -18.760 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.848 -14.091 -18.698 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.182 -13.317 -17.161 1.00 0.00 H new ATOM 813 N GLU A 52 -6.965 -13.455 -18.084 1.00 0.00 N ATOM 814 CA GLU A 52 -8.337 -13.506 -18.590 1.00 0.00 C ATOM 815 C GLU A 52 -8.662 -12.223 -19.369 1.00 0.00 C ATOM 816 O GLU A 52 -9.148 -12.269 -20.503 1.00 0.00 O ATOM 817 CB GLU A 52 -9.340 -13.746 -17.451 1.00 0.00 C ATOM 818 CG GLU A 52 -9.088 -15.064 -16.702 1.00 0.00 C ATOM 819 CD GLU A 52 -9.171 -16.277 -17.625 1.00 0.00 C ATOM 820 OE1 GLU A 52 -10.313 -16.631 -17.989 1.00 0.00 O ATOM 821 OE2 GLU A 52 -8.094 -16.814 -17.961 1.00 0.00 O ATOM 0 H GLU A 52 -6.875 -13.533 -17.071 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.424 -14.349 -19.275 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.287 -12.917 -16.746 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.351 -13.753 -17.859 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.104 -15.032 -16.235 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.818 -15.169 -15.900 1.00 0.00 H new ATOM 828 N LEU A 53 -8.369 -11.062 -18.780 1.00 0.00 N ATOM 829 CA LEU A 53 -8.562 -9.784 -19.450 1.00 0.00 C ATOM 830 C LEU A 53 -7.824 -9.762 -20.791 1.00 0.00 C ATOM 831 O LEU A 53 -8.403 -9.344 -21.782 1.00 0.00 O ATOM 832 CB LEU A 53 -8.168 -8.611 -18.543 1.00 0.00 C ATOM 833 CG LEU A 53 -9.104 -8.429 -17.334 1.00 0.00 C ATOM 834 CD1 LEU A 53 -8.483 -7.416 -16.367 1.00 0.00 C ATOM 835 CD2 LEU A 53 -10.493 -7.924 -17.750 1.00 0.00 C ATOM 0 H LEU A 53 -7.995 -10.986 -17.834 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.624 -9.663 -19.664 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.150 -8.765 -18.185 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.164 -7.693 -19.131 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.225 -9.403 -16.859 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.141 -7.282 -15.508 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.514 -7.783 -16.028 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.352 -6.461 -16.876 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.119 -7.810 -16.865 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.395 -6.961 -18.251 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.953 -8.642 -18.430 1.00 0.00 H new ATOM 847 N ASP A 54 -6.589 -10.264 -20.867 1.00 0.00 N ATOM 848 CA ASP A 54 -5.847 -10.387 -22.126 1.00 0.00 C ATOM 849 C ASP A 54 -6.650 -11.050 -23.253 1.00 0.00 C ATOM 850 O ASP A 54 -6.490 -10.677 -24.412 1.00 0.00 O ATOM 851 CB ASP A 54 -4.521 -11.121 -21.897 1.00 0.00 C ATOM 852 CG ASP A 54 -3.629 -11.060 -23.129 1.00 0.00 C ATOM 853 OD1 ASP A 54 -3.065 -9.969 -23.364 1.00 0.00 O ATOM 854 OD2 ASP A 54 -3.513 -12.110 -23.797 1.00 0.00 O ATOM 0 H ASP A 54 -6.072 -10.598 -20.054 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.645 -9.370 -22.462 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.001 -10.678 -21.048 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.720 -12.162 -21.642 1.00 0.00 H new ATOM 859 N LYS A 55 -7.518 -12.011 -22.926 1.00 0.00 N ATOM 860 CA LYS A 55 -8.357 -12.698 -23.905 1.00 0.00 C ATOM 861 C LYS A 55 -9.551 -11.828 -24.294 1.00 0.00 C ATOM 862 O LYS A 55 -10.044 -11.922 -25.415 1.00 0.00 O ATOM 863 CB LYS A 55 -8.837 -14.056 -23.367 1.00 0.00 C ATOM 864 CG LYS A 55 -7.731 -14.912 -22.740 1.00 0.00 C ATOM 865 CD LYS A 55 -6.560 -15.191 -23.694 1.00 0.00 C ATOM 866 CE LYS A 55 -5.430 -15.929 -22.968 1.00 0.00 C ATOM 867 NZ LYS A 55 -4.714 -15.040 -22.033 1.00 0.00 N ATOM 0 H LYS A 55 -7.657 -12.334 -21.969 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.753 -12.880 -24.794 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.614 -13.885 -22.622 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.295 -14.615 -24.183 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.353 -14.409 -21.850 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.157 -15.860 -22.413 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.907 -15.788 -24.538 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.185 -14.252 -24.101 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.841 -16.778 -22.421 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.728 -16.330 -23.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.967 -15.576 -21.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.287 -14.253 -22.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.383 -14.664 -21.331 1.00 0.00 H new ATOM 881 N ASN A 56 -10.017 -10.978 -23.372 1.00 0.00 N ATOM 882 CA ASN A 56 -11.033 -9.979 -23.680 1.00 0.00 C ATOM 883 C ASN A 56 -10.411 -8.956 -24.629 1.00 0.00 C ATOM 884 O ASN A 56 -11.015 -8.571 -25.628 1.00 0.00 O ATOM 885 CB ASN A 56 -11.587 -9.328 -22.403 1.00 0.00 C ATOM 886 CG ASN A 56 -12.409 -10.294 -21.548 1.00 0.00 C ATOM 887 OD1 ASN A 56 -13.624 -10.157 -21.460 1.00 0.00 O ATOM 888 ND2 ASN A 56 -11.783 -11.270 -20.891 1.00 0.00 N ATOM 0 H ASN A 56 -9.701 -10.967 -22.402 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.889 -10.449 -24.165 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.758 -8.942 -21.810 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.208 -8.475 -22.677 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -12.315 -11.914 -20.306 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.772 -11.373 -20.973 1.00 0.00 H new ATOM 895 N GLY A 57 -9.180 -8.552 -24.317 1.00 0.00 N ATOM 896 CA GLY A 57 -8.296 -7.793 -25.165 1.00 0.00 C ATOM 897 C GLY A 57 -7.468 -6.783 -24.370 1.00 0.00 C ATOM 898 O GLY A 57 -7.858 -6.323 -23.299 1.00 0.00 O ATOM 0 H GLY A 57 -8.760 -8.764 -23.412 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.628 -8.473 -25.694 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.880 -7.268 -25.921 1.00 0.00 H new ATOM 902 N ASP A 58 -6.298 -6.460 -24.921 1.00 0.00 N ATOM 903 CA ASP A 58 -5.402 -5.404 -24.466 1.00 0.00 C ATOM 904 C ASP A 58 -5.779 -4.078 -25.136 1.00 0.00 C ATOM 905 O ASP A 58 -6.510 -4.068 -26.123 1.00 0.00 O ATOM 906 CB ASP A 58 -3.970 -5.808 -24.845 1.00 0.00 C ATOM 907 CG ASP A 58 -2.878 -4.841 -24.379 1.00 0.00 C ATOM 908 OD1 ASP A 58 -3.106 -4.115 -23.382 1.00 0.00 O ATOM 909 OD2 ASP A 58 -1.811 -4.847 -25.026 1.00 0.00 O ATOM 0 H ASP A 58 -5.934 -6.953 -25.736 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.480 -5.271 -23.387 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.764 -6.793 -24.427 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.911 -5.903 -25.929 1.00 0.00 H new ATOM 914 N GLY A 59 -5.246 -2.964 -24.627 1.00 0.00 N ATOM 915 CA GLY A 59 -5.400 -1.659 -25.248 1.00 0.00 C ATOM 916 C GLY A 59 -4.940 -0.546 -24.312 1.00 0.00 C ATOM 917 O GLY A 59 -5.761 0.265 -23.896 1.00 0.00 O ATOM 0 H GLY A 59 -4.695 -2.949 -23.769 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.823 -1.623 -26.172 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.444 -1.503 -25.518 1.00 0.00 H new ATOM 921 N GLU A 60 -3.637 -0.504 -23.996 1.00 0.00 N ATOM 922 CA GLU A 60 -3.005 0.566 -23.224 1.00 0.00 C ATOM 923 C GLU A 60 -3.801 0.883 -21.950 1.00 0.00 C ATOM 924 O GLU A 60 -4.482 1.903 -21.866 1.00 0.00 O ATOM 925 CB GLU A 60 -2.822 1.809 -24.109 1.00 0.00 C ATOM 926 CG GLU A 60 -1.909 1.528 -25.308 1.00 0.00 C ATOM 927 CD GLU A 60 -1.685 2.790 -26.135 1.00 0.00 C ATOM 928 OE1 GLU A 60 -0.991 3.690 -25.615 1.00 0.00 O ATOM 929 OE2 GLU A 60 -2.219 2.834 -27.264 1.00 0.00 O ATOM 0 H GLU A 60 -2.982 -1.232 -24.279 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.020 0.230 -22.900 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.795 2.147 -24.465 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.401 2.619 -23.514 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.951 1.144 -24.957 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.353 0.754 -25.934 1.00 0.00 H new ATOM 936 N VAL A 61 -3.681 0.024 -20.940 1.00 0.00 N ATOM 937 CA VAL A 61 -4.526 0.033 -19.761 1.00 0.00 C ATOM 938 C VAL A 61 -4.103 1.159 -18.811 1.00 0.00 C ATOM 939 O VAL A 61 -2.939 1.227 -18.417 1.00 0.00 O ATOM 940 CB VAL A 61 -4.430 -1.319 -19.041 1.00 0.00 C ATOM 941 CG1 VAL A 61 -5.423 -1.393 -17.872 1.00 0.00 C ATOM 942 CG2 VAL A 61 -4.736 -2.473 -20.010 1.00 0.00 C ATOM 0 H VAL A 61 -2.975 -0.712 -20.924 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.557 0.204 -20.070 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.412 -1.411 -18.662 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.334 -2.361 -17.380 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.203 -0.600 -17.157 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.438 -1.270 -18.249 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.663 -3.423 -19.480 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.744 -2.357 -20.408 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.018 -2.459 -20.830 1.00 0.00 H new ATOM 952 N SER A 62 -5.036 2.030 -18.423 1.00 0.00 N ATOM 953 CA SER A 62 -4.762 3.149 -17.536 1.00 0.00 C ATOM 954 C SER A 62 -4.415 2.678 -16.121 1.00 0.00 C ATOM 955 O SER A 62 -5.014 1.718 -15.630 1.00 0.00 O ATOM 956 CB SER A 62 -5.982 4.078 -17.516 1.00 0.00 C ATOM 957 OG SER A 62 -6.721 3.951 -18.722 1.00 0.00 O ATOM 0 H SER A 62 -6.010 1.973 -18.721 1.00 0.00 H new ATOM 0 HA SER A 62 -3.893 3.690 -17.911 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.618 3.835 -16.665 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.658 5.111 -17.387 1.00 0.00 H new ATOM 0 HG SER A 62 -7.497 4.549 -18.695 1.00 0.00 H new ATOM 963 N PHE A 63 -3.501 3.390 -15.450 1.00 0.00 N ATOM 964 CA PHE A 63 -3.109 3.117 -14.071 1.00 0.00 C ATOM 965 C PHE A 63 -4.325 2.875 -13.178 1.00 0.00 C ATOM 966 O PHE A 63 -4.412 1.846 -12.516 1.00 0.00 O ATOM 967 CB PHE A 63 -2.240 4.245 -13.499 1.00 0.00 C ATOM 968 CG PHE A 63 -1.866 3.974 -12.053 1.00 0.00 C ATOM 969 CD1 PHE A 63 -1.016 2.893 -11.762 1.00 0.00 C ATOM 970 CD2 PHE A 63 -2.616 4.564 -11.017 1.00 0.00 C ATOM 971 CE1 PHE A 63 -0.924 2.391 -10.453 1.00 0.00 C ATOM 972 CE2 PHE A 63 -2.525 4.062 -9.708 1.00 0.00 C ATOM 973 CZ PHE A 63 -1.679 2.977 -9.424 1.00 0.00 C ATOM 0 H PHE A 63 -3.008 4.183 -15.861 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.514 2.204 -14.086 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.335 4.349 -14.098 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.777 5.191 -13.567 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.429 2.445 -12.550 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.262 5.403 -11.229 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.274 1.556 -10.238 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.107 4.512 -8.917 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.609 2.594 -8.416 1.00 0.00 H new ATOM 983 N GLU A 64 -5.273 3.816 -13.158 1.00 0.00 N ATOM 984 CA GLU A 64 -6.439 3.701 -12.294 1.00 0.00 C ATOM 985 C GLU A 64 -7.252 2.443 -12.611 1.00 0.00 C ATOM 986 O GLU A 64 -7.630 1.719 -11.695 1.00 0.00 O ATOM 987 CB GLU A 64 -7.299 4.968 -12.380 1.00 0.00 C ATOM 988 CG GLU A 64 -6.606 6.174 -11.725 1.00 0.00 C ATOM 989 CD GLU A 64 -6.336 5.966 -10.233 1.00 0.00 C ATOM 990 OE1 GLU A 64 -7.224 5.392 -9.564 1.00 0.00 O ATOM 991 OE2 GLU A 64 -5.240 6.367 -9.788 1.00 0.00 O ATOM 0 H GLU A 64 -5.252 4.661 -13.730 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.090 3.601 -11.266 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.510 5.194 -13.425 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.258 4.791 -11.892 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.663 6.367 -12.237 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.227 7.060 -11.857 1.00 0.00 H new ATOM 998 N GLU A 65 -7.512 2.175 -13.893 1.00 0.00 N ATOM 999 CA GLU A 65 -8.264 0.996 -14.306 1.00 0.00 C ATOM 1000 C GLU A 65 -7.565 -0.266 -13.796 1.00 0.00 C ATOM 1001 O GLU A 65 -8.164 -1.084 -13.098 1.00 0.00 O ATOM 1002 CB GLU A 65 -8.429 0.975 -15.833 1.00 0.00 C ATOM 1003 CG GLU A 65 -9.238 2.173 -16.353 1.00 0.00 C ATOM 1004 CD GLU A 65 -10.657 2.195 -15.794 1.00 0.00 C ATOM 1005 OE1 GLU A 65 -11.440 1.309 -16.201 1.00 0.00 O ATOM 1006 OE2 GLU A 65 -10.925 3.088 -14.962 1.00 0.00 O ATOM 0 H GLU A 65 -7.208 2.767 -14.666 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.263 1.030 -13.870 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.445 0.974 -16.302 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.924 0.050 -16.129 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.729 3.098 -16.083 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.278 2.137 -17.442 1.00 0.00 H new ATOM 1013 N PHE A 66 -6.278 -0.390 -14.131 1.00 0.00 N ATOM 1014 CA PHE A 66 -5.416 -1.462 -13.653 1.00 0.00 C ATOM 1015 C PHE A 66 -5.569 -1.626 -12.136 1.00 0.00 C ATOM 1016 O PHE A 66 -5.956 -2.695 -11.662 1.00 0.00 O ATOM 1017 CB PHE A 66 -3.975 -1.142 -14.075 1.00 0.00 C ATOM 1018 CG PHE A 66 -2.900 -2.066 -13.543 1.00 0.00 C ATOM 1019 CD1 PHE A 66 -2.906 -3.424 -13.902 1.00 0.00 C ATOM 1020 CD2 PHE A 66 -1.805 -1.536 -12.832 1.00 0.00 C ATOM 1021 CE1 PHE A 66 -1.796 -4.234 -13.615 1.00 0.00 C ATOM 1022 CE2 PHE A 66 -0.693 -2.347 -12.547 1.00 0.00 C ATOM 1023 CZ PHE A 66 -0.674 -3.686 -12.970 1.00 0.00 C ATOM 0 H PHE A 66 -5.803 0.265 -14.752 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.698 -2.418 -14.094 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.927 -1.152 -15.164 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.742 -0.126 -13.755 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.767 -3.846 -14.400 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.820 -0.506 -12.506 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.804 -5.278 -13.890 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.147 -1.941 -12.003 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.202 -4.294 -12.800 1.00 0.00 H new ATOM 1033 N GLN A 67 -5.309 -0.545 -11.396 1.00 0.00 N ATOM 1034 CA GLN A 67 -5.372 -0.476 -9.946 1.00 0.00 C ATOM 1035 C GLN A 67 -6.707 -1.000 -9.411 1.00 0.00 C ATOM 1036 O GLN A 67 -6.715 -1.898 -8.571 1.00 0.00 O ATOM 1037 CB GLN A 67 -5.097 0.966 -9.498 1.00 0.00 C ATOM 1038 CG GLN A 67 -5.094 1.112 -7.972 1.00 0.00 C ATOM 1039 CD GLN A 67 -4.741 2.532 -7.544 1.00 0.00 C ATOM 1040 OE1 GLN A 67 -3.737 2.751 -6.877 1.00 0.00 O ATOM 1041 NE2 GLN A 67 -5.556 3.514 -7.918 1.00 0.00 N ATOM 0 H GLN A 67 -5.037 0.343 -11.817 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.605 -1.125 -9.525 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.134 1.289 -9.893 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.854 1.626 -9.922 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.075 0.846 -7.579 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.378 0.413 -7.541 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.386 3.305 -8.473 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.351 4.477 -7.650 1.00 0.00 H new ATOM 1050 N VAL A 68 -7.836 -0.429 -9.849 1.00 0.00 N ATOM 1051 CA VAL A 68 -9.127 -0.833 -9.303 1.00 0.00 C ATOM 1052 C VAL A 68 -9.423 -2.296 -9.633 1.00 0.00 C ATOM 1053 O VAL A 68 -9.915 -3.026 -8.771 1.00 0.00 O ATOM 1054 CB VAL A 68 -10.281 0.119 -9.673 1.00 0.00 C ATOM 1055 CG1 VAL A 68 -9.996 1.545 -9.182 1.00 0.00 C ATOM 1056 CG2 VAL A 68 -10.629 0.128 -11.164 1.00 0.00 C ATOM 0 H VAL A 68 -7.878 0.297 -10.564 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.052 -0.752 -8.219 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.158 -0.275 -9.160 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.826 2.197 -9.456 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.881 1.540 -8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.079 1.912 -9.643 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.450 0.823 -11.342 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.758 0.441 -11.739 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.927 -0.873 -11.474 1.00 0.00 H new ATOM 1066 N LEU A 69 -9.101 -2.738 -10.855 1.00 0.00 N ATOM 1067 CA LEU A 69 -9.282 -4.131 -11.234 1.00 0.00 C ATOM 1068 C LEU A 69 -8.498 -5.035 -10.280 1.00 0.00 C ATOM 1069 O LEU A 69 -9.082 -5.924 -9.663 1.00 0.00 O ATOM 1070 CB LEU A 69 -8.886 -4.354 -12.701 1.00 0.00 C ATOM 1071 CG LEU A 69 -9.879 -3.715 -13.689 1.00 0.00 C ATOM 1072 CD1 LEU A 69 -9.237 -3.610 -15.077 1.00 0.00 C ATOM 1073 CD2 LEU A 69 -11.172 -4.535 -13.804 1.00 0.00 C ATOM 0 H LEU A 69 -8.715 -2.147 -11.591 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.337 -4.392 -11.150 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.893 -3.939 -12.872 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.823 -5.424 -12.897 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.128 -2.725 -13.308 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.944 -3.157 -15.772 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.341 -2.992 -15.018 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.969 -4.606 -15.430 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.847 -4.052 -14.510 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.936 -5.539 -14.156 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.652 -4.597 -12.827 1.00 0.00 H new ATOM 1085 N VAL A 70 -7.186 -4.822 -10.138 1.00 0.00 N ATOM 1086 CA VAL A 70 -6.390 -5.684 -9.280 1.00 0.00 C ATOM 1087 C VAL A 70 -6.782 -5.585 -7.806 1.00 0.00 C ATOM 1088 O VAL A 70 -6.928 -6.623 -7.162 1.00 0.00 O ATOM 1089 CB VAL A 70 -4.882 -5.515 -9.497 1.00 0.00 C ATOM 1090 CG1 VAL A 70 -4.516 -5.868 -10.941 1.00 0.00 C ATOM 1091 CG2 VAL A 70 -4.306 -4.151 -9.115 1.00 0.00 C ATOM 0 H VAL A 70 -6.667 -4.074 -10.599 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.628 -6.702 -9.588 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.417 -6.212 -8.800 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.443 -5.745 -11.085 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.793 -6.903 -11.144 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.052 -5.208 -11.624 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.233 -4.142 -9.309 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.789 -3.373 -9.707 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.485 -3.964 -8.056 1.00 0.00 H new ATOM 1101 N LYS A 71 -6.938 -4.389 -7.226 1.00 0.00 N ATOM 1102 CA LYS A 71 -7.090 -4.296 -5.777 1.00 0.00 C ATOM 1103 C LYS A 71 -8.291 -5.111 -5.284 1.00 0.00 C ATOM 1104 O LYS A 71 -8.220 -5.750 -4.234 1.00 0.00 O ATOM 1105 CB LYS A 71 -7.117 -2.837 -5.315 1.00 0.00 C ATOM 1106 CG LYS A 71 -8.468 -2.156 -5.543 1.00 0.00 C ATOM 1107 CD LYS A 71 -8.279 -0.644 -5.414 1.00 0.00 C ATOM 1108 CE LYS A 71 -9.616 0.109 -5.421 1.00 0.00 C ATOM 1109 NZ LYS A 71 -10.399 -0.147 -4.200 1.00 0.00 N ATOM 0 H LYS A 71 -6.962 -3.499 -7.724 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.213 -4.746 -5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.871 -2.794 -4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.343 -2.281 -5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.856 -2.406 -6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.198 -2.510 -4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.745 -0.424 -4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.658 -0.286 -6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.429 1.179 -5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.196 -0.191 -6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.199 0.516 -4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.758 -1.123 -4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.793 -0.015 -3.365 1.00 0.00 H new ATOM 1123 N LYS A 72 -9.368 -5.129 -6.075 1.00 0.00 N ATOM 1124 CA LYS A 72 -10.572 -5.903 -5.813 1.00 0.00 C ATOM 1125 C LYS A 72 -10.260 -7.382 -5.546 1.00 0.00 C ATOM 1126 O LYS A 72 -10.911 -8.005 -4.714 1.00 0.00 O ATOM 1127 CB LYS A 72 -11.517 -5.734 -7.011 1.00 0.00 C ATOM 1128 CG LYS A 72 -12.921 -6.289 -6.737 1.00 0.00 C ATOM 1129 CD LYS A 72 -13.802 -6.262 -7.994 1.00 0.00 C ATOM 1130 CE LYS A 72 -14.009 -4.844 -8.540 1.00 0.00 C ATOM 1131 NZ LYS A 72 -14.980 -4.833 -9.649 1.00 0.00 N ATOM 0 H LYS A 72 -9.422 -4.588 -6.938 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.050 -5.532 -4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.591 -4.676 -7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.093 -6.240 -7.878 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.842 -7.313 -6.371 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.395 -5.704 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.346 -6.881 -8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.772 -6.703 -7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.360 -4.192 -7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.056 -4.442 -8.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.099 -3.860 -9.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.632 -5.437 -10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.895 -5.194 -9.313 1.00 0.00 H new ATOM 1145 N ILE A 73 -9.280 -7.943 -6.261 1.00 0.00 N ATOM 1146 CA ILE A 73 -8.919 -9.359 -6.201 1.00 0.00 C ATOM 1147 C ILE A 73 -7.611 -9.587 -5.431 1.00 0.00 C ATOM 1148 O ILE A 73 -7.303 -10.718 -5.059 1.00 0.00 O ATOM 1149 CB ILE A 73 -8.859 -9.940 -7.623 1.00 0.00 C ATOM 1150 CG1 ILE A 73 -7.849 -9.166 -8.486 1.00 0.00 C ATOM 1151 CG2 ILE A 73 -10.261 -9.913 -8.251 1.00 0.00 C ATOM 1152 CD1 ILE A 73 -7.640 -9.772 -9.865 1.00 0.00 C ATOM 0 H ILE A 73 -8.703 -7.411 -6.912 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.692 -9.889 -5.644 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.520 -10.975 -7.571 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.192 -8.137 -8.598 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.892 -9.128 -7.966 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -10.216 -10.325 -9.259 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.943 -10.510 -7.645 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.620 -8.885 -8.295 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.915 -9.175 -10.419 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.267 -10.791 -9.762 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.587 -9.785 -10.404 1.00 0.00 H new ATOM 1164 N SER A 74 -6.832 -8.527 -5.200 1.00 0.00 N ATOM 1165 CA SER A 74 -5.636 -8.574 -4.369 1.00 0.00 C ATOM 1166 C SER A 74 -6.022 -8.532 -2.893 1.00 0.00 C ATOM 1167 O SER A 74 -5.494 -9.290 -2.085 1.00 0.00 O ATOM 1168 CB SER A 74 -4.713 -7.395 -4.691 1.00 0.00 C ATOM 1169 OG SER A 74 -4.509 -7.278 -6.081 1.00 0.00 O ATOM 0 H SER A 74 -7.020 -7.604 -5.591 1.00 0.00 H new ATOM 0 HA SER A 74 -5.108 -9.504 -4.578 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.147 -6.473 -4.305 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.755 -7.531 -4.189 1.00 0.00 H new ATOM 0 HG SER A 74 -5.373 -7.171 -6.531 1.00 0.00 H new ATOM 1175 N GLN A 75 -6.924 -7.604 -2.556 1.00 0.00 N ATOM 1176 CA GLN A 75 -7.372 -7.318 -1.200 1.00 0.00 C ATOM 1177 C GLN A 75 -6.186 -7.219 -0.231 1.00 0.00 C ATOM 1178 O GLN A 75 -5.284 -6.407 -0.541 1.00 0.00 O ATOM 1179 CB GLN A 75 -8.438 -8.342 -0.775 1.00 0.00 C ATOM 1180 CG GLN A 75 -9.663 -8.343 -1.703 1.00 0.00 C ATOM 1181 CD GLN A 75 -10.521 -7.091 -1.540 1.00 0.00 C ATOM 1182 OE1 GLN A 75 -11.462 -7.079 -0.755 1.00 0.00 O ATOM 1183 NE2 GLN A 75 -10.211 -6.014 -2.259 1.00 0.00 N ATOM 1184 OXT GLN A 75 -6.204 -7.925 0.801 1.00 0.00 O ATOM 0 H GLN A 75 -7.376 -7.011 -3.252 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.848 -6.338 -1.171 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.995 -9.338 -0.764 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.759 -8.124 0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.330 -8.419 -2.738 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.270 -9.225 -1.497 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.424 -6.043 -2.907 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.760 -5.160 -2.161 1.00 0.00 H new TER 1193 GLN A 75