USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 421 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 33 HIS : no HE2:sc= 1.11 K(o=2.3,f=-1.5) USER MOD Set 1.2: A 49 SER OG : rot 153:sc= 1.18 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 1.2 (180deg=1.07) USER MOD Single : A 4 LYS NZ :NH3+ 160:sc= -0.0596 (180deg=-0.941!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -170:sc= 0.00437 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -132:sc= 1.25 (180deg=0.625) USER MOD Single : A 26 THR OG1 : rot -7:sc= 0.743 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0422 USER MOD Single : A 32 MET CE :methyl -168:sc= -1.72 (180deg=-2.11!) USER MOD Single : A 34 GLN : amide:sc= -0.79 X(o=-0.79,f=-0.59) USER MOD Single : A 37 CYS SG : rot -28:sc= 0.0633 USER MOD Single : A 47 GLN : amide:sc= -0.0723 K(o=-0.072,f=-1) USER MOD Single : A 50 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.41) USER MOD Single : A 52 LYS NZ :NH3+ -124:sc= 1.09 (180deg=-0.495!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.083 9.452 12.963 1.00 0.00 N ATOM 2 CA MET A 1 -5.652 9.104 12.815 1.00 0.00 C ATOM 3 C MET A 1 -5.503 7.637 12.424 1.00 0.00 C ATOM 4 O MET A 1 -5.550 6.748 13.275 1.00 0.00 O ATOM 5 CB MET A 1 -4.909 9.384 14.125 1.00 0.00 C ATOM 6 CG MET A 1 -3.449 9.754 13.931 1.00 0.00 C ATOM 7 SD MET A 1 -2.647 10.229 15.476 1.00 0.00 S ATOM 8 CE MET A 1 -1.081 10.843 14.867 1.00 0.00 C ATOM 0 H1 MET A 1 -7.187 10.486 12.993 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.618 9.073 12.155 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.451 9.041 13.845 1.00 0.00 H new ATOM 0 HA MET A 1 -5.218 9.718 12.026 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.413 10.194 14.652 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.970 8.502 14.763 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.918 8.908 13.494 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.377 10.577 13.220 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.470 11.176 15.706 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.562 10.048 14.332 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.256 11.680 14.191 1.00 0.00 H new ATOM 18 N GLY A 2 -5.351 7.389 11.131 1.00 0.00 N ATOM 19 CA GLY A 2 -5.158 6.037 10.645 1.00 0.00 C ATOM 20 C GLY A 2 -3.844 5.906 9.920 1.00 0.00 C ATOM 21 O GLY A 2 -2.902 6.644 10.210 1.00 0.00 O ATOM 0 H GLY A 2 -5.358 8.105 10.405 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.187 5.339 11.481 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.975 5.767 9.976 1.00 0.00 H new ATOM 25 N LEU A 3 -3.772 4.972 8.986 1.00 0.00 N ATOM 26 CA LEU A 3 -2.591 4.834 8.151 1.00 0.00 C ATOM 27 C LEU A 3 -2.347 6.115 7.369 1.00 0.00 C ATOM 28 O LEU A 3 -3.211 6.576 6.619 1.00 0.00 O ATOM 29 CB LEU A 3 -2.736 3.653 7.194 1.00 0.00 C ATOM 30 CG LEU A 3 -2.673 2.273 7.852 1.00 0.00 C ATOM 31 CD1 LEU A 3 -2.872 1.182 6.813 1.00 0.00 C ATOM 32 CD2 LEU A 3 -1.346 2.085 8.574 1.00 0.00 C ATOM 0 H LEU A 3 -4.514 4.301 8.788 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.735 4.646 8.799 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.687 3.745 6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.950 3.716 6.442 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.476 2.204 8.586 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.825 0.206 7.296 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.845 1.305 6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.089 1.251 6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.320 1.098 9.036 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.527 2.173 7.860 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.239 2.849 9.344 1.00 0.00 H new ATOM 43 N LYS A 4 -1.173 6.689 7.569 1.00 0.00 N ATOM 44 CA LYS A 4 -0.820 7.957 6.957 1.00 0.00 C ATOM 45 C LYS A 4 0.066 7.734 5.742 1.00 0.00 C ATOM 46 O LYS A 4 0.874 6.811 5.742 1.00 0.00 O ATOM 47 CB LYS A 4 -0.093 8.831 7.972 1.00 0.00 C ATOM 48 CG LYS A 4 -0.922 9.132 9.209 1.00 0.00 C ATOM 49 CD LYS A 4 -2.113 10.016 8.878 1.00 0.00 C ATOM 50 CE LYS A 4 -1.763 11.495 8.969 1.00 0.00 C ATOM 51 NZ LYS A 4 -0.753 11.910 7.957 1.00 0.00 N ATOM 0 H LYS A 4 -0.441 6.291 8.158 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.733 8.457 6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.830 8.335 8.273 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.190 9.770 7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.272 8.199 9.650 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.299 9.624 9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.467 9.788 7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.932 9.794 9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.668 12.087 8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.382 11.713 9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.796 12.941 7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.197 11.641 8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.954 11.438 7.052 1.00 0.00 H new ATOM 61 N TRP A 5 -0.071 8.573 4.726 1.00 0.00 N ATOM 62 CA TRP A 5 0.677 8.388 3.481 1.00 0.00 C ATOM 63 C TRP A 5 2.186 8.350 3.717 1.00 0.00 C ATOM 64 O TRP A 5 2.881 7.476 3.196 1.00 0.00 O ATOM 65 CB TRP A 5 0.338 9.485 2.476 1.00 0.00 C ATOM 66 CG TRP A 5 -1.037 9.361 1.897 1.00 0.00 C ATOM 67 CD1 TRP A 5 -1.979 10.340 1.813 1.00 0.00 C ATOM 68 CD2 TRP A 5 -1.627 8.186 1.321 1.00 0.00 C ATOM 69 NE1 TRP A 5 -3.108 9.854 1.208 1.00 0.00 N ATOM 70 CE2 TRP A 5 -2.920 8.536 0.902 1.00 0.00 C ATOM 71 CE3 TRP A 5 -1.184 6.875 1.118 1.00 0.00 C ATOM 72 CZ2 TRP A 5 -3.776 7.625 0.290 1.00 0.00 C ATOM 73 CZ3 TRP A 5 -2.037 5.971 0.513 1.00 0.00 C ATOM 74 CH2 TRP A 5 -3.320 6.350 0.105 1.00 0.00 C ATOM 0 H TRP A 5 -0.688 9.385 4.734 1.00 0.00 H new ATOM 0 HA TRP A 5 0.377 7.422 3.074 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.432 10.455 2.964 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.068 9.463 1.667 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.855 11.351 2.171 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.954 10.391 1.017 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.194 6.575 1.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.766 7.916 -0.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.707 4.955 0.353 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.963 5.621 -0.365 1.00 0.00 H new ATOM 84 N THR A 6 2.684 9.293 4.510 1.00 0.00 N ATOM 85 CA THR A 6 4.107 9.365 4.819 1.00 0.00 C ATOM 86 C THR A 6 4.570 8.119 5.571 1.00 0.00 C ATOM 87 O THR A 6 5.722 7.696 5.459 1.00 0.00 O ATOM 88 CB THR A 6 4.416 10.623 5.651 1.00 0.00 C ATOM 89 OG1 THR A 6 3.932 11.778 4.955 1.00 0.00 O ATOM 90 CG2 THR A 6 5.910 10.772 5.900 1.00 0.00 C ATOM 0 H THR A 6 2.121 10.020 4.951 1.00 0.00 H new ATOM 0 HA THR A 6 4.650 9.420 3.875 1.00 0.00 H new ATOM 0 HB THR A 6 3.920 10.526 6.617 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.125 12.582 5.481 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.093 11.670 6.490 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.277 9.901 6.442 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.432 10.852 4.946 1.00 0.00 H new ATOM 98 N ASP A 7 3.657 7.519 6.313 1.00 0.00 N ATOM 99 CA ASP A 7 3.951 6.311 7.066 1.00 0.00 C ATOM 100 C ASP A 7 3.751 5.089 6.179 1.00 0.00 C ATOM 101 O ASP A 7 2.977 4.183 6.490 1.00 0.00 O ATOM 102 CB ASP A 7 3.069 6.245 8.313 1.00 0.00 C ATOM 103 CG ASP A 7 3.413 7.339 9.308 1.00 0.00 C ATOM 104 OD1 ASP A 7 4.315 7.123 10.147 1.00 0.00 O ATOM 105 OD2 ASP A 7 2.809 8.433 9.238 1.00 0.00 O ATOM 0 H ASP A 7 2.698 7.851 6.411 1.00 0.00 H new ATOM 0 HA ASP A 7 4.991 6.327 7.391 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.022 6.334 8.022 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.186 5.271 8.789 1.00 0.00 H new ATOM 109 N SER A 8 4.483 5.077 5.076 1.00 0.00 N ATOM 110 CA SER A 8 4.325 4.077 4.034 1.00 0.00 C ATOM 111 C SER A 8 4.724 2.680 4.501 1.00 0.00 C ATOM 112 O SER A 8 4.200 1.687 4.000 1.00 0.00 O ATOM 113 CB SER A 8 5.162 4.480 2.825 1.00 0.00 C ATOM 114 OG SER A 8 6.497 4.764 3.211 1.00 0.00 O ATOM 0 H SER A 8 5.208 5.766 4.878 1.00 0.00 H new ATOM 0 HA SER A 8 3.268 4.034 3.769 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.154 3.677 2.088 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.722 5.356 2.348 1.00 0.00 H new ATOM 0 HG SER A 8 6.976 5.170 2.458 1.00 0.00 H new ATOM 119 N ARG A 9 5.637 2.596 5.460 1.00 0.00 N ATOM 120 CA ARG A 9 6.136 1.301 5.908 1.00 0.00 C ATOM 121 C ARG A 9 5.045 0.531 6.637 1.00 0.00 C ATOM 122 O ARG A 9 4.827 -0.651 6.364 1.00 0.00 O ATOM 123 CB ARG A 9 7.359 1.454 6.811 1.00 0.00 C ATOM 124 CG ARG A 9 7.946 0.121 7.246 1.00 0.00 C ATOM 125 CD ARG A 9 9.075 0.301 8.244 1.00 0.00 C ATOM 126 NE ARG A 9 10.210 1.038 7.682 1.00 0.00 N ATOM 127 CZ ARG A 9 11.404 1.104 8.265 1.00 0.00 C ATOM 128 NH1 ARG A 9 11.615 0.481 9.416 1.00 0.00 N ATOM 129 NH2 ARG A 9 12.390 1.792 7.701 1.00 0.00 N ATOM 0 H ARG A 9 6.044 3.399 5.939 1.00 0.00 H new ATOM 0 HA ARG A 9 6.437 0.741 5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.123 2.027 6.285 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.082 2.029 7.695 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.163 -0.493 7.690 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.315 -0.416 6.372 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.700 0.831 9.120 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.414 -0.677 8.584 1.00 0.00 H new ATOM 0 HE ARG A 9 10.078 1.527 6.796 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.862 -0.049 9.855 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.530 0.532 9.863 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.234 2.274 6.816 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.303 1.839 8.153 1.00 0.00 H new ATOM 140 N GLU A 10 4.349 1.208 7.549 1.00 0.00 N ATOM 141 CA GLU A 10 3.250 0.589 8.283 1.00 0.00 C ATOM 142 C GLU A 10 2.176 0.123 7.306 1.00 0.00 C ATOM 143 O GLU A 10 1.545 -0.915 7.499 1.00 0.00 O ATOM 144 CB GLU A 10 2.649 1.565 9.303 1.00 0.00 C ATOM 145 CG GLU A 10 3.676 2.162 10.253 1.00 0.00 C ATOM 146 CD GLU A 10 3.050 2.820 11.468 1.00 0.00 C ATOM 147 OE1 GLU A 10 2.627 3.991 11.374 1.00 0.00 O ATOM 148 OE2 GLU A 10 2.995 2.168 12.532 1.00 0.00 O ATOM 0 H GLU A 10 4.527 2.182 7.796 1.00 0.00 H new ATOM 0 HA GLU A 10 3.640 -0.270 8.828 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.148 2.372 8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.887 1.046 9.884 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.357 1.377 10.583 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.274 2.898 9.716 1.00 0.00 H new ATOM 153 N ILE A 11 2.003 0.889 6.237 1.00 0.00 N ATOM 154 CA ILE A 11 1.036 0.558 5.203 1.00 0.00 C ATOM 155 C ILE A 11 1.522 -0.624 4.372 1.00 0.00 C ATOM 156 O ILE A 11 0.754 -1.530 4.056 1.00 0.00 O ATOM 157 CB ILE A 11 0.779 1.761 4.282 1.00 0.00 C ATOM 158 CG1 ILE A 11 0.320 2.963 5.107 1.00 0.00 C ATOM 159 CG2 ILE A 11 -0.257 1.405 3.233 1.00 0.00 C ATOM 160 CD1 ILE A 11 0.161 4.232 4.304 1.00 0.00 C ATOM 0 H ILE A 11 2.524 1.749 6.064 1.00 0.00 H new ATOM 0 HA ILE A 11 0.103 0.289 5.698 1.00 0.00 H new ATOM 0 HB ILE A 11 1.707 2.024 3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.632 2.723 5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.040 3.138 5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.431 2.265 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.104 0.568 2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.190 1.125 3.723 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.167 5.039 4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.116 4.498 3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.581 4.076 3.521 1.00 0.00 H new ATOM 171 N GLY A 12 2.806 -0.611 4.030 1.00 0.00 N ATOM 172 CA GLY A 12 3.399 -1.712 3.295 1.00 0.00 C ATOM 173 C GLY A 12 3.253 -3.019 4.036 1.00 0.00 C ATOM 174 O GLY A 12 2.876 -4.039 3.454 1.00 0.00 O ATOM 0 H GLY A 12 3.450 0.148 4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.926 -1.793 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.456 -1.507 3.122 1.00 0.00 H new ATOM 178 N GLU A 13 3.530 -2.981 5.333 1.00 0.00 N ATOM 179 CA GLU A 13 3.369 -4.149 6.180 1.00 0.00 C ATOM 180 C GLU A 13 1.897 -4.537 6.268 1.00 0.00 C ATOM 181 O GLU A 13 1.568 -5.716 6.261 1.00 0.00 O ATOM 182 CB GLU A 13 3.933 -3.886 7.575 1.00 0.00 C ATOM 183 CG GLU A 13 5.413 -3.539 7.575 1.00 0.00 C ATOM 184 CD GLU A 13 5.954 -3.292 8.966 1.00 0.00 C ATOM 185 OE1 GLU A 13 5.501 -2.334 9.623 1.00 0.00 O ATOM 186 OE2 GLU A 13 6.829 -4.062 9.419 1.00 0.00 O ATOM 0 H GLU A 13 3.868 -2.151 5.819 1.00 0.00 H new ATOM 0 HA GLU A 13 3.924 -4.976 5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.376 -3.070 8.035 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.775 -4.769 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.973 -4.351 7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.574 -2.651 6.964 1.00 0.00 H new ATOM 191 N ALA A 14 1.016 -3.536 6.332 1.00 0.00 N ATOM 192 CA ALA A 14 -0.427 -3.776 6.349 1.00 0.00 C ATOM 193 C ALA A 14 -0.867 -4.532 5.104 1.00 0.00 C ATOM 194 O ALA A 14 -1.659 -5.475 5.180 1.00 0.00 O ATOM 195 CB ALA A 14 -1.199 -2.464 6.442 1.00 0.00 C ATOM 0 H ALA A 14 1.278 -2.551 6.373 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.646 -4.380 7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.269 -2.671 6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.921 -1.942 7.358 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.959 -1.839 5.582 1.00 0.00 H new ATOM 201 N LEU A 15 -0.343 -4.109 3.961 1.00 0.00 N ATOM 202 CA LEU A 15 -0.698 -4.711 2.689 1.00 0.00 C ATOM 203 C LEU A 15 -0.176 -6.138 2.590 1.00 0.00 C ATOM 204 O LEU A 15 -0.886 -7.025 2.137 1.00 0.00 O ATOM 205 CB LEU A 15 -0.174 -3.870 1.522 1.00 0.00 C ATOM 206 CG LEU A 15 -0.790 -2.471 1.387 1.00 0.00 C ATOM 207 CD1 LEU A 15 -0.462 -1.884 0.032 1.00 0.00 C ATOM 208 CD2 LEU A 15 -2.297 -2.517 1.612 1.00 0.00 C ATOM 0 H LEU A 15 0.332 -3.348 3.892 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.786 -4.743 2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.905 -3.764 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.350 -4.416 0.595 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.360 -1.827 2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.905 -0.891 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.620 -1.809 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.864 -2.528 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.711 -1.514 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.755 -3.174 0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.504 -2.896 2.613 1.00 0.00 H new ATOM 219 N TYR A 16 1.056 -6.365 3.029 1.00 0.00 N ATOM 220 CA TYR A 16 1.627 -7.708 2.994 1.00 0.00 C ATOM 221 C TYR A 16 0.975 -8.598 4.052 1.00 0.00 C ATOM 222 O TYR A 16 0.865 -9.811 3.882 1.00 0.00 O ATOM 223 CB TYR A 16 3.145 -7.665 3.194 1.00 0.00 C ATOM 224 CG TYR A 16 3.794 -9.033 3.160 1.00 0.00 C ATOM 225 CD1 TYR A 16 3.607 -9.882 2.075 1.00 0.00 C ATOM 226 CD2 TYR A 16 4.581 -9.479 4.214 1.00 0.00 C ATOM 227 CE1 TYR A 16 4.183 -11.135 2.043 1.00 0.00 C ATOM 228 CE2 TYR A 16 5.165 -10.732 4.186 1.00 0.00 C ATOM 229 CZ TYR A 16 4.960 -11.557 3.099 1.00 0.00 C ATOM 230 OH TYR A 16 5.534 -12.809 3.064 1.00 0.00 O ATOM 0 H TYR A 16 1.673 -5.647 3.409 1.00 0.00 H new ATOM 0 HA TYR A 16 1.426 -8.133 2.011 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.589 -7.041 2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.365 -7.190 4.150 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.001 -9.555 1.243 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.739 -8.837 5.068 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.025 -11.783 1.193 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.779 -11.063 5.011 1.00 0.00 H new ATOM 0 HH TYR A 16 6.052 -12.954 3.883 1.00 0.00 H new ATOM 239 N ASP A 17 0.548 -7.984 5.145 1.00 0.00 N ATOM 240 CA ASP A 17 -0.145 -8.699 6.210 1.00 0.00 C ATOM 241 C ASP A 17 -1.493 -9.219 5.731 1.00 0.00 C ATOM 242 O ASP A 17 -1.820 -10.392 5.915 1.00 0.00 O ATOM 243 CB ASP A 17 -0.331 -7.782 7.420 1.00 0.00 C ATOM 244 CG ASP A 17 -1.240 -8.372 8.478 1.00 0.00 C ATOM 245 OD1 ASP A 17 -0.789 -9.260 9.234 1.00 0.00 O ATOM 246 OD2 ASP A 17 -2.407 -7.933 8.569 1.00 0.00 O ATOM 0 H ASP A 17 0.669 -6.986 5.320 1.00 0.00 H new ATOM 0 HA ASP A 17 0.464 -9.555 6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.643 -7.572 7.862 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.742 -6.829 7.087 1.00 0.00 H new ATOM 250 N ALA A 18 -2.259 -8.348 5.091 1.00 0.00 N ATOM 251 CA ALA A 18 -3.593 -8.700 4.630 1.00 0.00 C ATOM 252 C ALA A 18 -3.549 -9.426 3.289 1.00 0.00 C ATOM 253 O ALA A 18 -4.402 -10.267 3.001 1.00 0.00 O ATOM 254 CB ALA A 18 -4.462 -7.457 4.527 1.00 0.00 C ATOM 0 H ALA A 18 -1.979 -7.391 4.879 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.028 -9.379 5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.457 -7.736 4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.538 -6.984 5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.015 -6.758 3.820 1.00 0.00 H new ATOM 260 N TYR A 19 -2.548 -9.111 2.476 1.00 0.00 N ATOM 261 CA TYR A 19 -2.437 -9.686 1.140 1.00 0.00 C ATOM 262 C TYR A 19 -1.048 -10.284 0.892 1.00 0.00 C ATOM 263 O TYR A 19 -0.303 -9.795 0.045 1.00 0.00 O ATOM 264 CB TYR A 19 -2.732 -8.619 0.080 1.00 0.00 C ATOM 265 CG TYR A 19 -4.126 -8.038 0.166 1.00 0.00 C ATOM 266 CD1 TYR A 19 -5.227 -8.754 -0.285 1.00 0.00 C ATOM 267 CD2 TYR A 19 -4.337 -6.771 0.697 1.00 0.00 C ATOM 268 CE1 TYR A 19 -6.500 -8.226 -0.209 1.00 0.00 C ATOM 269 CE2 TYR A 19 -5.608 -6.235 0.777 1.00 0.00 C ATOM 270 CZ TYR A 19 -6.687 -6.968 0.323 1.00 0.00 C ATOM 271 OH TYR A 19 -7.956 -6.445 0.399 1.00 0.00 O ATOM 0 H TYR A 19 -1.801 -8.460 2.718 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.169 -10.490 1.068 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.006 -7.812 0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.591 -9.055 -0.909 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.085 -9.740 -0.702 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.494 -6.197 1.053 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.346 -8.796 -0.565 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.757 -5.249 1.192 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.918 -5.551 0.799 1.00 0.00 H new ATOM 280 N PRO A 20 -0.678 -11.361 1.615 1.00 0.00 N ATOM 281 CA PRO A 20 0.593 -12.053 1.389 1.00 0.00 C ATOM 282 C PRO A 20 0.514 -12.962 0.169 1.00 0.00 C ATOM 283 O PRO A 20 1.518 -13.505 -0.295 1.00 0.00 O ATOM 284 CB PRO A 20 0.778 -12.878 2.662 1.00 0.00 C ATOM 285 CG PRO A 20 -0.606 -13.159 3.135 1.00 0.00 C ATOM 286 CD PRO A 20 -1.452 -11.986 2.707 1.00 0.00 C ATOM 0 HA PRO A 20 1.418 -11.367 1.196 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.322 -13.800 2.460 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.348 -12.328 3.411 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.982 -14.087 2.704 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.629 -13.279 4.218 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.435 -12.308 2.365 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.613 -11.290 3.530 1.00 0.00 H new ATOM 291 N ASP A 21 -0.702 -13.115 -0.338 1.00 0.00 N ATOM 292 CA ASP A 21 -0.968 -13.970 -1.484 1.00 0.00 C ATOM 293 C ASP A 21 -0.710 -13.219 -2.779 1.00 0.00 C ATOM 294 O ASP A 21 -0.586 -13.823 -3.844 1.00 0.00 O ATOM 295 CB ASP A 21 -2.424 -14.442 -1.471 1.00 0.00 C ATOM 296 CG ASP A 21 -2.831 -15.069 -0.155 1.00 0.00 C ATOM 297 OD1 ASP A 21 -3.312 -14.333 0.733 1.00 0.00 O ATOM 298 OD2 ASP A 21 -2.698 -16.300 -0.008 1.00 0.00 O ATOM 0 H ASP A 21 -1.530 -12.650 0.034 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.302 -14.831 -1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.077 -13.595 -1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.573 -15.165 -2.273 1.00 0.00 H new ATOM 302 N LEU A 22 -0.637 -11.901 -2.682 1.00 0.00 N ATOM 303 CA LEU A 22 -0.501 -11.059 -3.857 1.00 0.00 C ATOM 304 C LEU A 22 0.950 -10.676 -4.091 1.00 0.00 C ATOM 305 O LEU A 22 1.699 -10.423 -3.148 1.00 0.00 O ATOM 306 CB LEU A 22 -1.359 -9.797 -3.723 1.00 0.00 C ATOM 307 CG LEU A 22 -2.868 -10.000 -3.879 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.461 -10.628 -2.635 1.00 0.00 C ATOM 309 CD2 LEU A 22 -3.556 -8.681 -4.179 1.00 0.00 C ATOM 0 H LEU A 22 -0.670 -11.391 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.850 -11.633 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.170 -9.354 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.029 -9.075 -4.470 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.031 -10.678 -4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.534 -10.762 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.994 -11.597 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.282 -9.978 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.628 -8.846 -4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.376 -7.983 -3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.158 -8.265 -5.105 1.00 0.00 H new ATOM 320 N ASP A 23 1.339 -10.641 -5.355 1.00 0.00 N ATOM 321 CA ASP A 23 2.688 -10.253 -5.732 1.00 0.00 C ATOM 322 C ASP A 23 2.748 -8.762 -6.036 1.00 0.00 C ATOM 323 O ASP A 23 2.083 -8.276 -6.954 1.00 0.00 O ATOM 324 CB ASP A 23 3.157 -11.053 -6.944 1.00 0.00 C ATOM 325 CG ASP A 23 4.434 -10.497 -7.532 1.00 0.00 C ATOM 326 OD1 ASP A 23 5.521 -10.739 -6.963 1.00 0.00 O ATOM 327 OD2 ASP A 23 4.355 -9.805 -8.565 1.00 0.00 O ATOM 0 H ASP A 23 0.735 -10.878 -6.142 1.00 0.00 H new ATOM 0 HA ASP A 23 3.351 -10.467 -4.894 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.314 -12.092 -6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.376 -11.049 -7.705 1.00 0.00 H new ATOM 331 N PRO A 24 3.556 -8.021 -5.269 1.00 0.00 N ATOM 332 CA PRO A 24 3.660 -6.561 -5.387 1.00 0.00 C ATOM 333 C PRO A 24 4.258 -6.088 -6.714 1.00 0.00 C ATOM 334 O PRO A 24 4.271 -4.892 -7.000 1.00 0.00 O ATOM 335 CB PRO A 24 4.572 -6.172 -4.222 1.00 0.00 C ATOM 336 CG PRO A 24 5.342 -7.408 -3.903 1.00 0.00 C ATOM 337 CD PRO A 24 4.422 -8.552 -4.202 1.00 0.00 C ATOM 0 HA PRO A 24 2.674 -6.097 -5.360 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.237 -5.353 -4.498 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.992 -5.836 -3.362 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.250 -7.469 -4.504 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.650 -7.417 -2.858 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.971 -9.434 -4.531 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.846 -8.845 -3.324 1.00 0.00 H new ATOM 342 N LYS A 25 4.754 -7.014 -7.525 1.00 0.00 N ATOM 343 CA LYS A 25 5.299 -6.654 -8.827 1.00 0.00 C ATOM 344 C LYS A 25 4.159 -6.497 -9.826 1.00 0.00 C ATOM 345 O LYS A 25 4.179 -5.612 -10.679 1.00 0.00 O ATOM 346 CB LYS A 25 6.289 -7.710 -9.331 1.00 0.00 C ATOM 347 CG LYS A 25 7.284 -8.183 -8.284 1.00 0.00 C ATOM 348 CD LYS A 25 8.278 -9.176 -8.870 1.00 0.00 C ATOM 349 CE LYS A 25 9.033 -9.916 -7.778 1.00 0.00 C ATOM 350 NZ LYS A 25 8.185 -10.944 -7.112 1.00 0.00 N ATOM 0 H LYS A 25 4.790 -8.010 -7.307 1.00 0.00 H new ATOM 0 HA LYS A 25 5.838 -5.712 -8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.729 -8.570 -9.698 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.838 -7.301 -10.179 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.821 -7.326 -7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.749 -8.647 -7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.750 -9.893 -9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.985 -8.650 -9.511 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.914 -10.395 -8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.388 -9.202 -7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.271 -10.849 -6.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.192 -10.809 -7.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.499 -11.893 -7.400 1.00 0.00 H new ATOM 360 N THR A 26 3.160 -7.365 -9.707 1.00 0.00 N ATOM 361 CA THR A 26 1.982 -7.297 -10.562 1.00 0.00 C ATOM 362 C THR A 26 1.007 -6.219 -10.083 1.00 0.00 C ATOM 363 O THR A 26 0.095 -5.821 -10.812 1.00 0.00 O ATOM 364 CB THR A 26 1.251 -8.655 -10.626 1.00 0.00 C ATOM 365 OG1 THR A 26 0.958 -9.129 -9.303 1.00 0.00 O ATOM 366 CG2 THR A 26 2.089 -9.687 -11.365 1.00 0.00 C ATOM 0 H THR A 26 3.143 -8.124 -9.026 1.00 0.00 H new ATOM 0 HA THR A 26 2.334 -7.039 -11.561 1.00 0.00 H new ATOM 0 HB THR A 26 0.317 -8.508 -11.169 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.387 -8.544 -8.644 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.553 -10.636 -11.397 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.277 -9.342 -12.382 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.038 -9.824 -10.847 1.00 0.00 H new ATOM 374 N VAL A 27 1.209 -5.748 -8.857 1.00 0.00 N ATOM 375 CA VAL A 27 0.360 -4.716 -8.281 1.00 0.00 C ATOM 376 C VAL A 27 0.822 -3.334 -8.727 1.00 0.00 C ATOM 377 O VAL A 27 1.956 -2.933 -8.468 1.00 0.00 O ATOM 378 CB VAL A 27 0.355 -4.778 -6.736 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.511 -3.670 -6.155 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.132 -6.136 -6.253 1.00 0.00 C ATOM 0 H VAL A 27 1.957 -6.068 -8.242 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.654 -4.897 -8.638 1.00 0.00 H new ATOM 0 HB VAL A 27 1.378 -4.634 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.500 -3.732 -5.067 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.120 -2.701 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.534 -3.781 -6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.127 -6.158 -5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.145 -6.309 -6.615 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.528 -6.916 -6.634 1.00 0.00 H new ATOM 390 N ARG A 28 -0.055 -2.616 -9.412 1.00 0.00 N ATOM 391 CA ARG A 28 0.249 -1.267 -9.864 1.00 0.00 C ATOM 392 C ARG A 28 -0.238 -0.251 -8.835 1.00 0.00 C ATOM 393 O ARG A 28 -0.877 -0.631 -7.851 1.00 0.00 O ATOM 394 CB ARG A 28 -0.411 -1.012 -11.217 1.00 0.00 C ATOM 395 CG ARG A 28 -0.010 -2.018 -12.286 1.00 0.00 C ATOM 396 CD ARG A 28 -1.020 -2.061 -13.418 1.00 0.00 C ATOM 397 NE ARG A 28 -2.342 -2.451 -12.936 1.00 0.00 N ATOM 398 CZ ARG A 28 -3.376 -2.736 -13.720 1.00 0.00 C ATOM 399 NH1 ARG A 28 -3.239 -2.725 -15.042 1.00 0.00 N ATOM 400 NH2 ARG A 28 -4.544 -3.052 -13.175 1.00 0.00 N ATOM 0 H ARG A 28 -0.986 -2.946 -9.668 1.00 0.00 H new ATOM 0 HA ARG A 28 1.328 -1.161 -9.975 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.494 -1.036 -11.095 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.151 -0.009 -11.556 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.971 -1.757 -12.683 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.080 -3.008 -11.840 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.078 -1.082 -13.893 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.686 -2.766 -14.180 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.481 -2.509 -11.927 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.337 -2.497 -15.459 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.036 -2.945 -15.639 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.644 -3.075 -12.160 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.342 -3.272 -13.771 1.00 0.00 H new ATOM 411 N PHE A 29 0.044 1.029 -9.055 1.00 0.00 N ATOM 412 CA PHE A 29 -0.345 2.061 -8.095 1.00 0.00 C ATOM 413 C PHE A 29 -1.860 2.117 -7.960 1.00 0.00 C ATOM 414 O PHE A 29 -2.394 2.228 -6.855 1.00 0.00 O ATOM 415 CB PHE A 29 0.196 3.434 -8.513 1.00 0.00 C ATOM 416 CG PHE A 29 1.693 3.480 -8.629 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.495 2.865 -7.679 1.00 0.00 C ATOM 418 CD2 PHE A 29 2.299 4.128 -9.692 1.00 0.00 C ATOM 419 CE1 PHE A 29 3.870 2.896 -7.790 1.00 0.00 C ATOM 420 CE2 PHE A 29 3.676 4.162 -9.808 1.00 0.00 C ATOM 421 CZ PHE A 29 4.462 3.545 -8.854 1.00 0.00 C ATOM 0 H PHE A 29 0.535 1.376 -9.879 1.00 0.00 H new ATOM 0 HA PHE A 29 0.088 1.801 -7.129 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.243 3.712 -9.471 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.127 4.179 -7.786 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.038 2.356 -6.843 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.688 4.613 -10.439 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.483 2.412 -7.044 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.136 4.670 -10.643 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.538 3.571 -8.941 1.00 0.00 H new ATOM 430 N THR A 30 -2.537 2.019 -9.095 1.00 0.00 N ATOM 431 CA THR A 30 -3.990 2.028 -9.141 1.00 0.00 C ATOM 432 C THR A 30 -4.575 0.933 -8.254 1.00 0.00 C ATOM 433 O THR A 30 -5.383 1.207 -7.367 1.00 0.00 O ATOM 434 CB THR A 30 -4.472 1.811 -10.581 1.00 0.00 C ATOM 435 OG1 THR A 30 -3.656 2.575 -11.476 1.00 0.00 O ATOM 436 CG2 THR A 30 -5.930 2.217 -10.738 1.00 0.00 C ATOM 0 H THR A 30 -2.094 1.931 -10.009 1.00 0.00 H new ATOM 0 HA THR A 30 -4.328 2.998 -8.776 1.00 0.00 H new ATOM 0 HB THR A 30 -4.389 0.750 -10.818 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.962 2.436 -12.397 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.245 2.052 -11.769 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.549 1.618 -10.070 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.043 3.272 -10.488 1.00 0.00 H new ATOM 444 N ASP A 31 -4.129 -0.301 -8.483 1.00 0.00 N ATOM 445 CA ASP A 31 -4.652 -1.461 -7.769 1.00 0.00 C ATOM 446 C ASP A 31 -4.398 -1.322 -6.278 1.00 0.00 C ATOM 447 O ASP A 31 -5.277 -1.578 -5.457 1.00 0.00 O ATOM 448 CB ASP A 31 -3.995 -2.752 -8.271 1.00 0.00 C ATOM 449 CG ASP A 31 -3.965 -2.856 -9.782 1.00 0.00 C ATOM 450 OD1 ASP A 31 -4.999 -3.205 -10.389 1.00 0.00 O ATOM 451 OD2 ASP A 31 -2.898 -2.594 -10.368 1.00 0.00 O ATOM 0 H ASP A 31 -3.401 -0.522 -9.163 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.725 -1.511 -7.954 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.976 -2.806 -7.889 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.533 -3.608 -7.865 1.00 0.00 H new ATOM 455 N MET A 32 -3.188 -0.895 -5.939 1.00 0.00 N ATOM 456 CA MET A 32 -2.792 -0.734 -4.546 1.00 0.00 C ATOM 457 C MET A 32 -3.647 0.335 -3.872 1.00 0.00 C ATOM 458 O MET A 32 -4.121 0.144 -2.753 1.00 0.00 O ATOM 459 CB MET A 32 -1.301 -0.375 -4.460 1.00 0.00 C ATOM 460 CG MET A 32 -0.701 -0.554 -3.072 1.00 0.00 C ATOM 461 SD MET A 32 -1.146 0.762 -1.921 1.00 0.00 S ATOM 462 CE MET A 32 -0.098 2.079 -2.513 1.00 0.00 C ATOM 0 H MET A 32 -2.461 -0.653 -6.613 1.00 0.00 H new ATOM 0 HA MET A 32 -2.951 -1.676 -4.022 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.747 -0.993 -5.167 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.169 0.661 -4.771 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.029 -1.510 -2.663 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.385 -0.600 -3.157 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.091 2.892 -1.787 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.916 1.704 -2.648 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.479 2.447 -3.466 1.00 0.00 H new ATOM 470 N HIS A 33 -3.872 1.447 -4.573 1.00 0.00 N ATOM 471 CA HIS A 33 -4.654 2.548 -4.020 1.00 0.00 C ATOM 472 C HIS A 33 -6.087 2.113 -3.740 1.00 0.00 C ATOM 473 O HIS A 33 -6.729 2.637 -2.832 1.00 0.00 O ATOM 474 CB HIS A 33 -4.656 3.760 -4.957 1.00 0.00 C ATOM 475 CG HIS A 33 -5.337 4.959 -4.360 1.00 0.00 C ATOM 476 ND1 HIS A 33 -6.481 5.523 -4.879 1.00 0.00 N ATOM 477 CD2 HIS A 33 -5.027 5.691 -3.267 1.00 0.00 C ATOM 478 CE1 HIS A 33 -6.846 6.547 -4.127 1.00 0.00 C ATOM 479 NE2 HIS A 33 -5.978 6.675 -3.142 1.00 0.00 N ATOM 0 H HIS A 33 -3.525 1.607 -5.519 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.182 2.838 -3.081 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.628 4.020 -5.209 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.154 3.492 -5.889 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -6.971 5.201 -5.714 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.184 5.531 -2.611 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.710 7.174 -4.291 1.00 0.00 H new ATOM 487 N GLN A 34 -6.574 1.149 -4.511 1.00 0.00 N ATOM 488 CA GLN A 34 -7.932 0.652 -4.343 1.00 0.00 C ATOM 489 C GLN A 34 -8.067 -0.038 -2.997 1.00 0.00 C ATOM 490 O GLN A 34 -8.998 0.226 -2.237 1.00 0.00 O ATOM 491 CB GLN A 34 -8.294 -0.335 -5.455 1.00 0.00 C ATOM 492 CG GLN A 34 -8.297 0.269 -6.849 1.00 0.00 C ATOM 493 CD GLN A 34 -8.534 -0.768 -7.930 1.00 0.00 C ATOM 494 OE1 GLN A 34 -8.043 -0.638 -9.052 1.00 0.00 O ATOM 495 NE2 GLN A 34 -9.299 -1.801 -7.609 1.00 0.00 N ATOM 0 H GLN A 34 -6.048 0.696 -5.259 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.613 1.502 -4.393 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.588 -1.165 -5.433 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.281 -0.750 -5.249 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.071 1.034 -6.908 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.343 0.765 -7.029 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.688 -1.875 -6.669 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.499 -2.523 -8.302 1.00 0.00 H new ATOM 502 N TRP A 35 -7.105 -0.899 -2.702 1.00 0.00 N ATOM 503 CA TRP A 35 -7.130 -1.685 -1.483 1.00 0.00 C ATOM 504 C TRP A 35 -6.731 -0.834 -0.283 1.00 0.00 C ATOM 505 O TRP A 35 -7.338 -0.928 0.779 1.00 0.00 O ATOM 506 CB TRP A 35 -6.200 -2.894 -1.618 1.00 0.00 C ATOM 507 CG TRP A 35 -6.459 -3.697 -2.860 1.00 0.00 C ATOM 508 CD1 TRP A 35 -7.672 -3.976 -3.423 1.00 0.00 C ATOM 509 CD2 TRP A 35 -5.479 -4.327 -3.693 1.00 0.00 C ATOM 510 NE1 TRP A 35 -7.502 -4.728 -4.560 1.00 0.00 N ATOM 511 CE2 TRP A 35 -6.168 -4.960 -4.744 1.00 0.00 C ATOM 512 CE3 TRP A 35 -4.087 -4.415 -3.652 1.00 0.00 C ATOM 513 CZ2 TRP A 35 -5.512 -5.666 -5.746 1.00 0.00 C ATOM 514 CZ3 TRP A 35 -3.437 -5.120 -4.646 1.00 0.00 C ATOM 515 CH2 TRP A 35 -4.150 -5.737 -5.681 1.00 0.00 C ATOM 0 H TRP A 35 -6.293 -1.070 -3.296 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.147 -2.041 -1.321 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -5.165 -2.551 -1.623 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.319 -3.536 -0.745 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.625 -3.653 -3.031 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.250 -5.060 -5.168 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.529 -3.941 -2.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.060 -6.141 -6.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.360 -5.197 -4.625 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -3.612 -6.280 -6.444 1.00 0.00 H new ATOM 525 N ILE A 36 -5.728 0.015 -0.461 1.00 0.00 N ATOM 526 CA ILE A 36 -5.254 0.870 0.619 1.00 0.00 C ATOM 527 C ILE A 36 -6.332 1.891 1.016 1.00 0.00 C ATOM 528 O ILE A 36 -6.461 2.245 2.183 1.00 0.00 O ATOM 529 CB ILE A 36 -3.917 1.566 0.230 1.00 0.00 C ATOM 530 CG1 ILE A 36 -3.068 1.882 1.472 1.00 0.00 C ATOM 531 CG2 ILE A 36 -4.154 2.833 -0.585 1.00 0.00 C ATOM 532 CD1 ILE A 36 -3.545 3.064 2.293 1.00 0.00 C ATOM 0 H ILE A 36 -5.227 0.130 -1.342 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.054 0.246 1.490 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.366 0.863 -0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.046 1.000 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.043 2.070 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.196 3.289 -0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.688 2.582 -1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.748 3.536 -0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.882 3.206 3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.539 3.962 1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.558 2.875 2.649 1.00 0.00 H new ATOM 543 N CYS A 37 -7.128 2.335 0.049 1.00 0.00 N ATOM 544 CA CYS A 37 -8.227 3.252 0.335 1.00 0.00 C ATOM 545 C CYS A 37 -9.430 2.474 0.859 1.00 0.00 C ATOM 546 O CYS A 37 -10.339 3.038 1.467 1.00 0.00 O ATOM 547 CB CYS A 37 -8.609 4.044 -0.919 1.00 0.00 C ATOM 548 SG CYS A 37 -9.881 5.299 -0.647 1.00 0.00 S ATOM 0 H CYS A 37 -7.035 2.077 -0.933 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.903 3.959 1.099 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.716 4.528 -1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.959 3.348 -1.682 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.644 4.937 0.341 1.00 0.00 H new ATOM 553 N ASP A 38 -9.416 1.169 0.624 1.00 0.00 N ATOM 554 CA ASP A 38 -10.477 0.284 1.084 1.00 0.00 C ATOM 555 C ASP A 38 -10.241 -0.104 2.537 1.00 0.00 C ATOM 556 O ASP A 38 -11.160 -0.533 3.236 1.00 0.00 O ATOM 557 CB ASP A 38 -10.529 -0.966 0.196 1.00 0.00 C ATOM 558 CG ASP A 38 -11.620 -1.940 0.592 1.00 0.00 C ATOM 559 OD1 ASP A 38 -12.802 -1.672 0.283 1.00 0.00 O ATOM 560 OD2 ASP A 38 -11.299 -2.987 1.191 1.00 0.00 O ATOM 0 H ASP A 38 -8.672 0.696 0.111 1.00 0.00 H new ATOM 0 HA ASP A 38 -11.433 0.804 1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.682 -0.661 -0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.565 -1.474 0.239 1.00 0.00 H new ATOM 564 N LEU A 39 -8.995 0.058 2.981 1.00 0.00 N ATOM 565 CA LEU A 39 -8.608 -0.260 4.350 1.00 0.00 C ATOM 566 C LEU A 39 -9.449 0.519 5.354 1.00 0.00 C ATOM 567 O LEU A 39 -9.598 1.739 5.253 1.00 0.00 O ATOM 568 CB LEU A 39 -7.126 0.059 4.578 1.00 0.00 C ATOM 569 CG LEU A 39 -6.149 -0.654 3.643 1.00 0.00 C ATOM 570 CD1 LEU A 39 -4.714 -0.315 4.009 1.00 0.00 C ATOM 571 CD2 LEU A 39 -6.366 -2.154 3.689 1.00 0.00 C ATOM 0 H LEU A 39 -8.232 0.411 2.404 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.778 -1.326 4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.983 1.134 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.871 -0.198 5.606 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.336 -0.309 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.034 -0.832 3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.561 0.761 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.516 -0.630 5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.662 -2.644 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.208 -2.513 4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.385 -2.384 3.377 1.00 0.00 H new ATOM 582 N GLU A 40 -9.999 -0.202 6.319 1.00 0.00 N ATOM 583 CA GLU A 40 -10.800 0.398 7.375 1.00 0.00 C ATOM 584 C GLU A 40 -9.912 1.213 8.312 1.00 0.00 C ATOM 585 O GLU A 40 -10.354 2.192 8.913 1.00 0.00 O ATOM 586 CB GLU A 40 -11.532 -0.703 8.147 1.00 0.00 C ATOM 587 CG GLU A 40 -12.502 -0.200 9.205 1.00 0.00 C ATOM 588 CD GLU A 40 -13.674 0.560 8.617 1.00 0.00 C ATOM 589 OE1 GLU A 40 -14.485 -0.055 7.892 1.00 0.00 O ATOM 590 OE2 GLU A 40 -13.796 1.773 8.887 1.00 0.00 O ATOM 0 H GLU A 40 -9.903 -1.215 6.392 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.536 1.070 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.079 -1.323 7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.793 -1.344 8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.876 -1.047 9.780 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.969 0.447 9.902 1.00 0.00 H new ATOM 595 N ASP A 41 -8.647 0.816 8.413 1.00 0.00 N ATOM 596 CA ASP A 41 -7.696 1.498 9.289 1.00 0.00 C ATOM 597 C ASP A 41 -7.109 2.724 8.599 1.00 0.00 C ATOM 598 O ASP A 41 -6.561 3.613 9.250 1.00 0.00 O ATOM 599 CB ASP A 41 -6.571 0.546 9.691 1.00 0.00 C ATOM 600 CG ASP A 41 -5.757 1.057 10.862 1.00 0.00 C ATOM 601 OD1 ASP A 41 -6.199 0.885 12.019 1.00 0.00 O ATOM 602 OD2 ASP A 41 -4.664 1.611 10.633 1.00 0.00 O ATOM 0 H ASP A 41 -8.255 0.026 7.900 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.230 1.821 10.183 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.997 -0.424 9.947 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.912 0.390 8.837 1.00 0.00 H new ATOM 606 N PHE A 42 -7.220 2.769 7.276 1.00 0.00 N ATOM 607 CA PHE A 42 -6.742 3.917 6.516 1.00 0.00 C ATOM 608 C PHE A 42 -7.533 5.173 6.872 1.00 0.00 C ATOM 609 O PHE A 42 -8.767 5.179 6.828 1.00 0.00 O ATOM 610 CB PHE A 42 -6.835 3.654 5.012 1.00 0.00 C ATOM 611 CG PHE A 42 -6.585 4.880 4.175 1.00 0.00 C ATOM 612 CD1 PHE A 42 -5.344 5.495 4.176 1.00 0.00 C ATOM 613 CD2 PHE A 42 -7.598 5.424 3.400 1.00 0.00 C ATOM 614 CE1 PHE A 42 -5.116 6.626 3.416 1.00 0.00 C ATOM 615 CE2 PHE A 42 -7.375 6.555 2.639 1.00 0.00 C ATOM 616 CZ PHE A 42 -6.133 7.156 2.648 1.00 0.00 C ATOM 0 H PHE A 42 -7.634 2.028 6.711 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.696 4.075 6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.113 2.884 4.740 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.824 3.260 4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.546 5.086 4.778 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.572 4.958 3.391 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.143 7.095 3.423 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.171 6.968 2.038 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.957 8.041 2.054 1.00 0.00 H new ATOM 625 N ASP A 43 -6.812 6.232 7.218 1.00 0.00 N ATOM 626 CA ASP A 43 -7.430 7.494 7.593 1.00 0.00 C ATOM 627 C ASP A 43 -6.419 8.629 7.500 1.00 0.00 C ATOM 628 O ASP A 43 -5.645 8.867 8.431 1.00 0.00 O ATOM 629 CB ASP A 43 -8.008 7.407 9.007 1.00 0.00 C ATOM 630 CG ASP A 43 -8.578 8.725 9.490 1.00 0.00 C ATOM 631 OD1 ASP A 43 -9.465 9.281 8.816 1.00 0.00 O ATOM 632 OD2 ASP A 43 -8.147 9.207 10.558 1.00 0.00 O ATOM 0 H ASP A 43 -5.792 6.240 7.246 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.245 7.700 6.899 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.790 6.648 9.029 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.228 7.080 9.694 1.00 0.00 H new ATOM 636 N ASP A 44 -6.419 9.303 6.357 1.00 0.00 N ATOM 637 CA ASP A 44 -5.551 10.455 6.126 1.00 0.00 C ATOM 638 C ASP A 44 -6.179 11.357 5.063 1.00 0.00 C ATOM 639 O ASP A 44 -6.961 12.248 5.389 1.00 0.00 O ATOM 640 CB ASP A 44 -4.136 10.012 5.706 1.00 0.00 C ATOM 641 CG ASP A 44 -3.131 11.157 5.635 1.00 0.00 C ATOM 642 OD1 ASP A 44 -3.543 12.337 5.669 1.00 0.00 O ATOM 643 OD2 ASP A 44 -1.912 10.880 5.568 1.00 0.00 O ATOM 0 H ASP A 44 -7.018 9.069 5.565 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.451 11.014 7.057 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.774 9.266 6.413 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.191 9.527 4.731 1.00 0.00 H new ATOM 647 N ASP A 45 -5.855 11.115 3.796 1.00 0.00 N ATOM 648 CA ASP A 45 -6.467 11.852 2.695 1.00 0.00 C ATOM 649 C ASP A 45 -6.584 10.960 1.465 1.00 0.00 C ATOM 650 O ASP A 45 -5.582 10.596 0.857 1.00 0.00 O ATOM 651 CB ASP A 45 -5.662 13.106 2.353 1.00 0.00 C ATOM 652 CG ASP A 45 -6.393 13.997 1.368 1.00 0.00 C ATOM 653 OD1 ASP A 45 -6.415 13.673 0.164 1.00 0.00 O ATOM 654 OD2 ASP A 45 -6.958 15.025 1.796 1.00 0.00 O ATOM 0 H ASP A 45 -5.172 10.415 3.506 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.463 12.162 3.012 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.457 13.666 3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.699 12.816 1.934 1.00 0.00 H new ATOM 658 N PRO A 46 -7.809 10.603 1.075 1.00 0.00 N ATOM 659 CA PRO A 46 -8.051 9.677 -0.039 1.00 0.00 C ATOM 660 C PRO A 46 -7.599 10.214 -1.398 1.00 0.00 C ATOM 661 O PRO A 46 -7.406 9.437 -2.334 1.00 0.00 O ATOM 662 CB PRO A 46 -9.572 9.485 -0.023 1.00 0.00 C ATOM 663 CG PRO A 46 -10.109 10.673 0.698 1.00 0.00 C ATOM 664 CD PRO A 46 -9.060 11.060 1.700 1.00 0.00 C ATOM 0 HA PRO A 46 -7.480 8.757 0.089 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.972 9.425 -1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.847 8.560 0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.308 11.492 0.006 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.051 10.436 1.192 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.051 12.135 1.878 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.227 10.579 2.664 1.00 0.00 H new ATOM 669 N GLN A 47 -7.403 11.524 -1.510 1.00 0.00 N ATOM 670 CA GLN A 47 -7.140 12.124 -2.811 1.00 0.00 C ATOM 671 C GLN A 47 -5.656 12.461 -2.992 1.00 0.00 C ATOM 672 O GLN A 47 -5.120 12.316 -4.091 1.00 0.00 O ATOM 673 CB GLN A 47 -8.011 13.370 -3.004 1.00 0.00 C ATOM 674 CG GLN A 47 -8.457 13.600 -4.446 1.00 0.00 C ATOM 675 CD GLN A 47 -7.341 14.078 -5.355 1.00 0.00 C ATOM 676 OE1 GLN A 47 -6.433 14.786 -4.924 1.00 0.00 O ATOM 677 NE2 GLN A 47 -7.399 13.689 -6.618 1.00 0.00 N ATOM 0 H GLN A 47 -7.421 12.180 -0.729 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.399 11.392 -3.576 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.894 13.285 -2.371 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.457 14.244 -2.662 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.867 12.671 -4.844 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.263 14.334 -4.456 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.170 13.101 -6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.673 13.977 -7.274 1.00 0.00 H new ATOM 684 N ALA A 48 -4.977 12.881 -1.926 1.00 0.00 N ATOM 685 CA ALA A 48 -3.557 13.232 -2.025 1.00 0.00 C ATOM 686 C ALA A 48 -2.675 12.000 -2.083 1.00 0.00 C ATOM 687 O ALA A 48 -1.697 11.877 -1.342 1.00 0.00 O ATOM 688 CB ALA A 48 -3.107 14.102 -0.874 1.00 0.00 C ATOM 0 H ALA A 48 -5.378 12.986 -0.994 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.452 13.792 -2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.049 14.338 -0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.686 15.026 -0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.261 13.571 0.065 1.00 0.00 H new ATOM 694 N SER A 49 -3.011 11.097 -2.969 1.00 0.00 N ATOM 695 CA SER A 49 -2.213 9.920 -3.183 1.00 0.00 C ATOM 696 C SER A 49 -1.233 10.182 -4.312 1.00 0.00 C ATOM 697 O SER A 49 -1.360 9.619 -5.404 1.00 0.00 O ATOM 698 CB SER A 49 -3.125 8.745 -3.506 1.00 0.00 C ATOM 699 OG SER A 49 -4.170 8.658 -2.550 1.00 0.00 O ATOM 0 H SER A 49 -3.841 11.158 -3.559 1.00 0.00 H new ATOM 0 HA SER A 49 -1.647 9.676 -2.284 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.545 8.865 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.549 7.819 -3.512 1.00 0.00 H new ATOM 0 HG SER A 49 -4.952 8.231 -2.958 1.00 0.00 H new ATOM 704 N ASN A 50 -0.297 11.095 -4.051 1.00 0.00 N ATOM 705 CA ASN A 50 0.776 11.406 -5.005 1.00 0.00 C ATOM 706 C ASN A 50 1.445 10.124 -5.504 1.00 0.00 C ATOM 707 O ASN A 50 1.468 9.121 -4.784 1.00 0.00 O ATOM 708 CB ASN A 50 1.845 12.303 -4.363 1.00 0.00 C ATOM 709 CG ASN A 50 1.279 13.511 -3.639 1.00 0.00 C ATOM 710 OD1 ASN A 50 0.215 14.026 -3.980 1.00 0.00 O ATOM 711 ND2 ASN A 50 1.994 13.974 -2.628 1.00 0.00 N ATOM 0 H ASN A 50 -0.257 11.635 -3.186 1.00 0.00 H new ATOM 0 HA ASN A 50 0.320 11.933 -5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.428 11.710 -3.659 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.532 12.644 -5.137 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.668 14.785 -2.102 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.872 13.521 -2.374 1.00 0.00 H new ATOM 717 N GLU A 51 1.991 10.143 -6.717 1.00 0.00 N ATOM 718 CA GLU A 51 2.594 8.939 -7.292 1.00 0.00 C ATOM 719 C GLU A 51 3.654 8.351 -6.369 1.00 0.00 C ATOM 720 O GLU A 51 3.608 7.166 -6.041 1.00 0.00 O ATOM 721 CB GLU A 51 3.218 9.221 -8.656 1.00 0.00 C ATOM 722 CG GLU A 51 2.218 9.595 -9.733 1.00 0.00 C ATOM 723 CD GLU A 51 2.811 9.456 -11.118 1.00 0.00 C ATOM 724 OE1 GLU A 51 3.841 10.105 -11.396 1.00 0.00 O ATOM 725 OE2 GLU A 51 2.268 8.669 -11.924 1.00 0.00 O ATOM 0 H GLU A 51 2.030 10.967 -7.317 1.00 0.00 H new ATOM 0 HA GLU A 51 1.788 8.216 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.942 10.029 -8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.770 8.339 -8.980 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.337 8.959 -9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.886 10.622 -9.581 1.00 0.00 H new ATOM 730 N LYS A 52 4.590 9.185 -5.936 1.00 0.00 N ATOM 731 CA LYS A 52 5.682 8.732 -5.083 1.00 0.00 C ATOM 732 C LYS A 52 5.167 8.259 -3.728 1.00 0.00 C ATOM 733 O LYS A 52 5.811 7.448 -3.062 1.00 0.00 O ATOM 734 CB LYS A 52 6.725 9.836 -4.918 1.00 0.00 C ATOM 735 CG LYS A 52 7.480 10.141 -6.203 1.00 0.00 C ATOM 736 CD LYS A 52 8.286 8.938 -6.665 1.00 0.00 C ATOM 737 CE LYS A 52 8.862 9.146 -8.055 1.00 0.00 C ATOM 738 NZ LYS A 52 9.670 7.981 -8.491 1.00 0.00 N ATOM 0 H LYS A 52 4.615 10.179 -6.161 1.00 0.00 H new ATOM 0 HA LYS A 52 6.158 7.880 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.232 10.744 -4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.437 9.543 -4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.775 10.431 -6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.146 10.989 -6.044 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.096 8.751 -5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.651 8.052 -6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.051 9.313 -8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.482 10.043 -8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.628 8.298 -8.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.727 7.289 -7.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.223 7.539 -9.319 1.00 0.00 H new ATOM 748 N ILE A 53 4.006 8.754 -3.331 1.00 0.00 N ATOM 749 CA ILE A 53 3.343 8.266 -2.131 1.00 0.00 C ATOM 750 C ILE A 53 2.999 6.792 -2.304 1.00 0.00 C ATOM 751 O ILE A 53 3.386 5.947 -1.497 1.00 0.00 O ATOM 752 CB ILE A 53 2.049 9.060 -1.840 1.00 0.00 C ATOM 753 CG1 ILE A 53 2.376 10.486 -1.392 1.00 0.00 C ATOM 754 CG2 ILE A 53 1.201 8.352 -0.797 1.00 0.00 C ATOM 755 CD1 ILE A 53 3.056 10.561 -0.043 1.00 0.00 C ATOM 0 H ILE A 53 3.503 9.493 -3.821 1.00 0.00 H new ATOM 0 HA ILE A 53 4.024 8.399 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 53 1.474 9.116 -2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.018 10.953 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.454 11.066 -1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.296 8.931 -0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.929 7.361 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.768 8.256 0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.256 11.603 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.407 10.124 0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.996 10.010 -0.078 1.00 0.00 H new ATOM 766 N LEU A 54 2.299 6.496 -3.389 1.00 0.00 N ATOM 767 CA LEU A 54 1.896 5.133 -3.695 1.00 0.00 C ATOM 768 C LEU A 54 3.114 4.278 -4.029 1.00 0.00 C ATOM 769 O LEU A 54 3.162 3.095 -3.699 1.00 0.00 O ATOM 770 CB LEU A 54 0.904 5.126 -4.861 1.00 0.00 C ATOM 771 CG LEU A 54 -0.368 5.948 -4.635 1.00 0.00 C ATOM 772 CD1 LEU A 54 -1.239 5.941 -5.879 1.00 0.00 C ATOM 773 CD2 LEU A 54 -1.143 5.415 -3.439 1.00 0.00 C ATOM 0 H LEU A 54 1.997 7.187 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 54 1.408 4.709 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.409 5.504 -5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.620 4.095 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.077 6.977 -4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.138 6.531 -5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.685 6.371 -6.713 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.520 4.916 -6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.044 6.012 -3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.421 4.376 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.521 5.475 -2.546 1.00 0.00 H new ATOM 784 N GLU A 55 4.100 4.894 -4.672 1.00 0.00 N ATOM 785 CA GLU A 55 5.323 4.201 -5.054 1.00 0.00 C ATOM 786 C GLU A 55 6.084 3.727 -3.822 1.00 0.00 C ATOM 787 O GLU A 55 6.543 2.590 -3.773 1.00 0.00 O ATOM 788 CB GLU A 55 6.212 5.110 -5.908 1.00 0.00 C ATOM 789 CG GLU A 55 7.395 4.391 -6.534 1.00 0.00 C ATOM 790 CD GLU A 55 8.254 5.309 -7.380 1.00 0.00 C ATOM 791 OE1 GLU A 55 7.866 5.616 -8.525 1.00 0.00 O ATOM 792 OE2 GLU A 55 9.331 5.723 -6.911 1.00 0.00 O ATOM 0 H GLU A 55 4.075 5.878 -4.940 1.00 0.00 H new ATOM 0 HA GLU A 55 5.046 3.328 -5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.608 5.555 -6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.581 5.928 -5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.007 3.951 -5.746 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.031 3.569 -7.151 1.00 0.00 H new ATOM 797 N ALA A 56 6.199 4.597 -2.823 1.00 0.00 N ATOM 798 CA ALA A 56 6.879 4.247 -1.581 1.00 0.00 C ATOM 799 C ALA A 56 6.218 3.039 -0.927 1.00 0.00 C ATOM 800 O ALA A 56 6.890 2.136 -0.434 1.00 0.00 O ATOM 801 CB ALA A 56 6.883 5.429 -0.625 1.00 0.00 C ATOM 0 H ALA A 56 5.831 5.548 -2.849 1.00 0.00 H new ATOM 0 HA ALA A 56 7.911 3.988 -1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.394 5.150 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.401 6.269 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.856 5.716 -0.398 1.00 0.00 H new ATOM 807 N ILE A 57 4.890 3.023 -0.952 1.00 0.00 N ATOM 808 CA ILE A 57 4.122 1.930 -0.369 1.00 0.00 C ATOM 809 C ILE A 57 4.288 0.653 -1.195 1.00 0.00 C ATOM 810 O ILE A 57 4.351 -0.452 -0.655 1.00 0.00 O ATOM 811 CB ILE A 57 2.627 2.292 -0.273 1.00 0.00 C ATOM 812 CG1 ILE A 57 2.450 3.583 0.528 1.00 0.00 C ATOM 813 CG2 ILE A 57 1.839 1.152 0.364 1.00 0.00 C ATOM 814 CD1 ILE A 57 1.023 4.074 0.582 1.00 0.00 C ATOM 0 H ILE A 57 4.321 3.758 -1.372 1.00 0.00 H new ATOM 0 HA ILE A 57 4.505 1.758 0.637 1.00 0.00 H new ATOM 0 HB ILE A 57 2.240 2.450 -1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.808 3.421 1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.076 4.360 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.786 1.426 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.946 0.252 -0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.221 0.961 1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.976 4.993 1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.667 4.269 -0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.394 3.315 1.048 1.00 0.00 H new ATOM 825 N LEU A 58 4.371 0.813 -2.506 1.00 0.00 N ATOM 826 CA LEU A 58 4.564 -0.317 -3.403 1.00 0.00 C ATOM 827 C LEU A 58 5.965 -0.900 -3.203 1.00 0.00 C ATOM 828 O LEU A 58 6.140 -2.118 -3.119 1.00 0.00 O ATOM 829 CB LEU A 58 4.351 0.134 -4.860 1.00 0.00 C ATOM 830 CG LEU A 58 4.079 -0.973 -5.890 1.00 0.00 C ATOM 831 CD1 LEU A 58 5.342 -1.754 -6.209 1.00 0.00 C ATOM 832 CD2 LEU A 58 2.986 -1.906 -5.388 1.00 0.00 C ATOM 0 H LEU A 58 4.308 1.717 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 58 3.835 -1.095 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.514 0.832 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.235 0.686 -5.179 1.00 0.00 H new ATOM 0 HG LEU A 58 3.740 -0.499 -6.811 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.115 -2.529 -6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.094 -1.079 -6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.724 -2.215 -5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.804 -2.685 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.300 -2.363 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.069 -1.339 -5.226 1.00 0.00 H new ATOM 843 N LEU A 59 6.953 -0.019 -3.100 1.00 0.00 N ATOM 844 CA LEU A 59 8.340 -0.432 -2.919 1.00 0.00 C ATOM 845 C LEU A 59 8.543 -1.148 -1.587 1.00 0.00 C ATOM 846 O LEU A 59 9.294 -2.121 -1.510 1.00 0.00 O ATOM 847 CB LEU A 59 9.278 0.772 -3.011 1.00 0.00 C ATOM 848 CG LEU A 59 9.333 1.451 -4.382 1.00 0.00 C ATOM 849 CD1 LEU A 59 10.288 2.630 -4.357 1.00 0.00 C ATOM 850 CD2 LEU A 59 9.742 0.456 -5.459 1.00 0.00 C ATOM 0 H LEU A 59 6.818 0.991 -3.139 1.00 0.00 H new ATOM 0 HA LEU A 59 8.578 -1.132 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.970 1.510 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.284 0.450 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 59 8.336 1.821 -4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.313 3.099 -5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.951 3.356 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.288 2.283 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.775 0.959 -6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.727 0.052 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.017 -0.357 -5.498 1.00 0.00 H new ATOM 861 N VAL A 60 7.884 -0.670 -0.536 1.00 0.00 N ATOM 862 CA VAL A 60 8.002 -1.310 0.768 1.00 0.00 C ATOM 863 C VAL A 60 7.242 -2.640 0.784 1.00 0.00 C ATOM 864 O VAL A 60 7.629 -3.571 1.488 1.00 0.00 O ATOM 865 CB VAL A 60 7.523 -0.393 1.922 1.00 0.00 C ATOM 866 CG1 VAL A 60 6.035 -0.124 1.840 1.00 0.00 C ATOM 867 CG2 VAL A 60 7.889 -0.990 3.277 1.00 0.00 C ATOM 0 H VAL A 60 7.272 0.146 -0.560 1.00 0.00 H new ATOM 0 HA VAL A 60 9.061 -1.504 0.935 1.00 0.00 H new ATOM 0 HB VAL A 60 8.037 0.562 1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.736 0.522 2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.805 0.366 0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.491 -1.066 1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.543 -0.329 4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.415 -1.966 3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.971 -1.103 3.345 1.00 0.00 H new ATOM 877 N TRP A 61 6.182 -2.740 -0.016 1.00 0.00 N ATOM 878 CA TRP A 61 5.470 -4.004 -0.164 1.00 0.00 C ATOM 879 C TRP A 61 6.402 -5.022 -0.817 1.00 0.00 C ATOM 880 O TRP A 61 6.489 -6.168 -0.379 1.00 0.00 O ATOM 881 CB TRP A 61 4.194 -3.827 -1.000 1.00 0.00 C ATOM 882 CG TRP A 61 3.231 -4.984 -0.901 1.00 0.00 C ATOM 883 CD1 TRP A 61 3.450 -6.192 -0.298 1.00 0.00 C ATOM 884 CD2 TRP A 61 1.896 -5.040 -1.422 1.00 0.00 C ATOM 885 NE1 TRP A 61 2.339 -6.991 -0.416 1.00 0.00 N ATOM 886 CE2 TRP A 61 1.371 -6.306 -1.098 1.00 0.00 C ATOM 887 CE3 TRP A 61 1.090 -4.142 -2.131 1.00 0.00 C ATOM 888 CZ2 TRP A 61 0.084 -6.696 -1.455 1.00 0.00 C ATOM 889 CZ3 TRP A 61 -0.190 -4.532 -2.485 1.00 0.00 C ATOM 890 CH2 TRP A 61 -0.682 -5.800 -2.146 1.00 0.00 C ATOM 0 H TRP A 61 5.802 -1.969 -0.565 1.00 0.00 H new ATOM 0 HA TRP A 61 5.167 -4.361 0.821 1.00 0.00 H new ATOM 0 HB2 TRP A 61 3.686 -2.917 -0.681 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.473 -3.688 -2.045 1.00 0.00 H new ATOM 0 HD1 TRP A 61 4.365 -6.477 0.200 1.00 0.00 H new ATOM 0 HE1 TRP A 61 2.250 -7.940 -0.054 1.00 0.00 H new ATOM 0 HE3 TRP A 61 1.460 -3.163 -2.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -0.296 -7.673 -1.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.821 -3.847 -3.032 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.685 -6.074 -2.436 1.00 0.00 H new ATOM 900 N LEU A 62 7.114 -4.580 -1.851 1.00 0.00 N ATOM 901 CA LEU A 62 8.136 -5.402 -2.498 1.00 0.00 C ATOM 902 C LEU A 62 9.166 -5.869 -1.475 1.00 0.00 C ATOM 903 O LEU A 62 9.561 -7.036 -1.455 1.00 0.00 O ATOM 904 CB LEU A 62 8.846 -4.602 -3.599 1.00 0.00 C ATOM 905 CG LEU A 62 8.008 -4.291 -4.840 1.00 0.00 C ATOM 906 CD1 LEU A 62 8.682 -3.222 -5.684 1.00 0.00 C ATOM 907 CD2 LEU A 62 7.800 -5.549 -5.666 1.00 0.00 C ATOM 0 H LEU A 62 7.002 -3.653 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 62 7.646 -6.269 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.192 -3.661 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.732 -5.156 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 62 7.037 -3.918 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.072 -3.014 -6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.794 -2.311 -5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.664 -3.573 -6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.202 -5.312 -6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.767 -5.942 -5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.282 -6.297 -5.066 1.00 0.00 H new ATOM 918 N ASP A 63 9.579 -4.940 -0.621 1.00 0.00 N ATOM 919 CA ASP A 63 10.595 -5.205 0.391 1.00 0.00 C ATOM 920 C ASP A 63 10.118 -6.264 1.382 1.00 0.00 C ATOM 921 O ASP A 63 10.850 -7.197 1.706 1.00 0.00 O ATOM 922 CB ASP A 63 10.927 -3.910 1.136 1.00 0.00 C ATOM 923 CG ASP A 63 12.254 -3.970 1.865 1.00 0.00 C ATOM 924 OD1 ASP A 63 12.450 -4.874 2.702 1.00 0.00 O ATOM 925 OD2 ASP A 63 13.107 -3.095 1.608 1.00 0.00 O ATOM 0 H ASP A 63 9.221 -3.985 -0.610 1.00 0.00 H new ATOM 0 HA ASP A 63 11.488 -5.582 -0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.946 -3.083 0.426 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.134 -3.696 1.853 1.00 0.00 H new ATOM 929 N GLU A 64 8.889 -6.116 1.851 1.00 0.00 N ATOM 930 CA GLU A 64 8.328 -7.029 2.839 1.00 0.00 C ATOM 931 C GLU A 64 7.989 -8.387 2.230 1.00 0.00 C ATOM 932 O GLU A 64 8.293 -9.428 2.811 1.00 0.00 O ATOM 933 CB GLU A 64 7.075 -6.416 3.468 1.00 0.00 C ATOM 934 CG GLU A 64 7.359 -5.204 4.340 1.00 0.00 C ATOM 935 CD GLU A 64 8.220 -5.545 5.538 1.00 0.00 C ATOM 936 OE1 GLU A 64 7.787 -6.370 6.365 1.00 0.00 O ATOM 937 OE2 GLU A 64 9.328 -4.985 5.668 1.00 0.00 O ATOM 0 H GLU A 64 8.257 -5.369 1.563 1.00 0.00 H new ATOM 0 HA GLU A 64 9.085 -7.187 3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.385 -6.128 2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.572 -7.174 4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.857 -4.439 3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.416 -4.777 4.683 1.00 0.00 H new ATOM 942 N ALA A 65 7.368 -8.372 1.056 1.00 0.00 N ATOM 943 CA ALA A 65 6.889 -9.597 0.425 1.00 0.00 C ATOM 944 C ALA A 65 8.029 -10.547 0.083 1.00 0.00 C ATOM 945 O ALA A 65 7.933 -11.755 0.310 1.00 0.00 O ATOM 946 CB ALA A 65 6.091 -9.271 -0.824 1.00 0.00 C ATOM 0 H ALA A 65 7.184 -7.523 0.521 1.00 0.00 H new ATOM 0 HA ALA A 65 6.244 -10.101 1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.741 -10.195 -1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.235 -8.651 -0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.723 -8.732 -1.530 1.00 0.00 H new ATOM 952 N GLU A 66 9.102 -10.005 -0.469 1.00 0.00 N ATOM 953 CA GLU A 66 10.248 -10.814 -0.847 1.00 0.00 C ATOM 954 C GLU A 66 11.239 -10.898 0.305 1.00 0.00 C ATOM 955 O GLU A 66 11.113 -11.827 1.128 1.00 0.00 O ATOM 956 CB GLU A 66 10.911 -10.247 -2.104 1.00 0.00 C ATOM 957 CG GLU A 66 9.944 -10.114 -3.269 1.00 0.00 C ATOM 958 CD GLU A 66 10.613 -9.648 -4.542 1.00 0.00 C ATOM 959 OE1 GLU A 66 10.765 -8.424 -4.724 1.00 0.00 O ATOM 960 OE2 GLU A 66 10.981 -10.506 -5.371 1.00 0.00 O ATOM 961 OXT GLU A 66 12.124 -10.026 0.405 1.00 0.00 O ATOM 0 H GLU A 66 9.203 -9.009 -0.665 1.00 0.00 H new ATOM 0 HA GLU A 66 9.906 -11.824 -1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.335 -9.269 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.739 -10.893 -2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.465 -11.077 -3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.156 -9.411 -3.001 1.00 0.00 H new TER 966 GLU A 66