USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=13 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 HD1:sc= 0.169 K(o=-0.077,f=-1.5!) USER MOD Set 1.2: A 49 SER OG : rot 60:sc= -0.247 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.292 (180deg=-0.304) USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.04) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 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+ 153:sc= 0.359 (180deg=-0.234) USER MOD Single : A 26 THR OG1 : rot -176:sc= -0.748 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 32 MET CE :methyl -113:sc= -1.96 (180deg=-3.5!) USER MOD Single : A 34 GLN : amide:sc= -0.683 X(o=-0.68,f=-0.62) USER MOD Single : A 37 CYS SG : rot -31:sc= -1.14 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= -0.055 (180deg=-0.379) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.438 2.619 13.237 1.00 0.00 N ATOM 2 CA MET A 1 -6.917 3.684 12.327 1.00 0.00 C ATOM 3 C MET A 1 -5.944 4.855 12.323 1.00 0.00 C ATOM 4 O MET A 1 -5.433 5.248 13.371 1.00 0.00 O ATOM 5 CB MET A 1 -8.312 4.168 12.747 1.00 0.00 C ATOM 6 CG MET A 1 -8.361 4.806 14.129 1.00 0.00 C ATOM 7 SD MET A 1 -9.990 5.459 14.540 1.00 0.00 S ATOM 8 CE MET A 1 -9.684 6.100 16.183 1.00 0.00 C ATOM 0 H1 MET A 1 -7.144 1.857 13.282 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.538 2.237 12.881 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.294 3.014 14.188 1.00 0.00 H new ATOM 0 HA MET A 1 -6.978 3.269 11.321 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.670 4.890 12.013 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.000 3.323 12.725 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.072 4.067 14.876 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.629 5.612 14.178 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.600 6.540 16.578 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.360 5.289 16.835 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.906 6.862 16.137 1.00 0.00 H new ATOM 18 N GLY A 2 -5.681 5.410 11.147 1.00 0.00 N ATOM 19 CA GLY A 2 -4.818 6.562 11.071 1.00 0.00 C ATOM 20 C GLY A 2 -3.611 6.333 10.191 1.00 0.00 C ATOM 21 O GLY A 2 -2.551 6.908 10.427 1.00 0.00 O ATOM 0 H GLY A 2 -6.049 5.083 10.254 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.385 7.410 10.688 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.485 6.828 12.074 1.00 0.00 H new ATOM 25 N LEU A 3 -3.762 5.485 9.184 1.00 0.00 N ATOM 26 CA LEU A 3 -2.698 5.271 8.214 1.00 0.00 C ATOM 27 C LEU A 3 -2.538 6.497 7.327 1.00 0.00 C ATOM 28 O LEU A 3 -3.356 6.741 6.437 1.00 0.00 O ATOM 29 CB LEU A 3 -2.981 4.037 7.357 1.00 0.00 C ATOM 30 CG LEU A 3 -2.998 2.715 8.118 1.00 0.00 C ATOM 31 CD1 LEU A 3 -3.314 1.568 7.180 1.00 0.00 C ATOM 32 CD2 LEU A 3 -1.668 2.479 8.818 1.00 0.00 C ATOM 0 H LEU A 3 -4.606 4.937 9.018 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.770 5.104 8.760 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.945 4.168 6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.227 3.978 6.572 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.779 2.768 8.877 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.322 0.632 7.739 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.292 1.728 6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.555 1.517 6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.702 1.531 9.354 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.868 2.449 8.078 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.479 3.288 9.523 1.00 0.00 H new ATOM 43 N LYS A 4 -1.497 7.273 7.598 1.00 0.00 N ATOM 44 CA LYS A 4 -1.213 8.481 6.836 1.00 0.00 C ATOM 45 C LYS A 4 -0.207 8.162 5.735 1.00 0.00 C ATOM 46 O LYS A 4 0.615 7.257 5.880 1.00 0.00 O ATOM 47 CB LYS A 4 -0.636 9.567 7.757 1.00 0.00 C ATOM 48 CG LYS A 4 -1.365 9.719 9.086 1.00 0.00 C ATOM 49 CD LYS A 4 -2.799 10.191 8.908 1.00 0.00 C ATOM 50 CE LYS A 4 -3.541 10.194 10.235 1.00 0.00 C ATOM 51 NZ LYS A 4 -4.947 10.665 10.101 1.00 0.00 N ATOM 0 H LYS A 4 -0.830 7.085 8.347 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.140 8.847 6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.411 9.339 7.955 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.661 10.522 7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.362 8.764 9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.827 10.429 9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.805 11.194 8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.314 9.541 8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.537 9.187 10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.013 10.834 10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.372 10.762 11.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.960 11.587 9.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.492 9.976 9.545 1.00 0.00 H new ATOM 61 N TRP A 5 -0.265 8.919 4.642 1.00 0.00 N ATOM 62 CA TRP A 5 0.638 8.719 3.509 1.00 0.00 C ATOM 63 C TRP A 5 2.079 9.036 3.890 1.00 0.00 C ATOM 64 O TRP A 5 3.014 8.712 3.157 1.00 0.00 O ATOM 65 CB TRP A 5 0.227 9.595 2.327 1.00 0.00 C ATOM 66 CG TRP A 5 -1.136 9.289 1.793 1.00 0.00 C ATOM 67 CD1 TRP A 5 -2.222 10.113 1.809 1.00 0.00 C ATOM 68 CD2 TRP A 5 -1.563 8.074 1.165 1.00 0.00 C ATOM 69 NE1 TRP A 5 -3.291 9.490 1.222 1.00 0.00 N ATOM 70 CE2 TRP A 5 -2.915 8.239 0.819 1.00 0.00 C ATOM 71 CE3 TRP A 5 -0.935 6.865 0.858 1.00 0.00 C ATOM 72 CZ2 TRP A 5 -3.650 7.244 0.181 1.00 0.00 C ATOM 73 CZ3 TRP A 5 -1.666 5.876 0.224 1.00 0.00 C ATOM 74 CH2 TRP A 5 -3.009 6.072 -0.109 1.00 0.00 C ATOM 0 H TRP A 5 -0.931 9.681 4.516 1.00 0.00 H new ATOM 0 HA TRP A 5 0.570 7.670 3.222 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.261 10.641 2.633 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.956 9.474 1.526 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.237 11.110 2.224 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -4.220 9.895 1.104 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.103 6.705 1.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.689 7.392 -0.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.191 4.937 -0.018 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.552 5.281 -0.606 1.00 0.00 H new ATOM 84 N THR A 6 2.248 9.693 5.026 1.00 0.00 N ATOM 85 CA THR A 6 3.568 9.988 5.553 1.00 0.00 C ATOM 86 C THR A 6 4.200 8.719 6.131 1.00 0.00 C ATOM 87 O THR A 6 5.423 8.604 6.242 1.00 0.00 O ATOM 88 CB THR A 6 3.484 11.072 6.646 1.00 0.00 C ATOM 89 OG1 THR A 6 2.605 12.124 6.215 1.00 0.00 O ATOM 90 CG2 THR A 6 4.857 11.654 6.944 1.00 0.00 C ATOM 0 H THR A 6 1.480 10.034 5.604 1.00 0.00 H new ATOM 0 HA THR A 6 4.189 10.359 4.738 1.00 0.00 H new ATOM 0 HB THR A 6 3.097 10.612 7.555 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.551 12.811 6.911 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.769 12.416 7.718 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.521 10.861 7.289 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.266 12.102 6.039 1.00 0.00 H new ATOM 98 N ASP A 7 3.352 7.756 6.472 1.00 0.00 N ATOM 99 CA ASP A 7 3.795 6.503 7.073 1.00 0.00 C ATOM 100 C ASP A 7 3.802 5.388 6.036 1.00 0.00 C ATOM 101 O ASP A 7 3.119 4.373 6.187 1.00 0.00 O ATOM 102 CB ASP A 7 2.884 6.127 8.244 1.00 0.00 C ATOM 103 CG ASP A 7 2.952 7.134 9.376 1.00 0.00 C ATOM 104 OD1 ASP A 7 3.871 7.034 10.220 1.00 0.00 O ATOM 105 OD2 ASP A 7 2.098 8.042 9.424 1.00 0.00 O ATOM 0 H ASP A 7 2.343 7.820 6.341 1.00 0.00 H new ATOM 0 HA ASP A 7 4.810 6.638 7.445 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.856 6.050 7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.166 5.143 8.619 1.00 0.00 H new ATOM 109 N SER A 8 4.600 5.579 4.989 1.00 0.00 N ATOM 110 CA SER A 8 4.650 4.650 3.869 1.00 0.00 C ATOM 111 C SER A 8 5.110 3.257 4.303 1.00 0.00 C ATOM 112 O SER A 8 4.682 2.250 3.737 1.00 0.00 O ATOM 113 CB SER A 8 5.567 5.204 2.782 1.00 0.00 C ATOM 114 OG SER A 8 6.837 5.558 3.309 1.00 0.00 O ATOM 0 H SER A 8 5.226 6.379 4.895 1.00 0.00 H new ATOM 0 HA SER A 8 3.640 4.545 3.472 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.692 4.460 1.995 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.105 6.078 2.324 1.00 0.00 H new ATOM 0 HG SER A 8 7.404 5.908 2.590 1.00 0.00 H new ATOM 119 N ARG A 9 5.954 3.201 5.326 1.00 0.00 N ATOM 120 CA ARG A 9 6.493 1.932 5.801 1.00 0.00 C ATOM 121 C ARG A 9 5.430 1.159 6.573 1.00 0.00 C ATOM 122 O ARG A 9 5.300 -0.057 6.421 1.00 0.00 O ATOM 123 CB ARG A 9 7.732 2.171 6.668 1.00 0.00 C ATOM 124 CG ARG A 9 8.279 0.913 7.326 1.00 0.00 C ATOM 125 CD ARG A 9 9.624 1.169 7.983 1.00 0.00 C ATOM 126 NE ARG A 9 10.698 1.302 6.997 1.00 0.00 N ATOM 127 CZ ARG A 9 11.619 2.264 7.010 1.00 0.00 C ATOM 128 NH1 ARG A 9 11.600 3.206 7.943 1.00 0.00 N ATOM 129 NH2 ARG A 9 12.568 2.275 6.084 1.00 0.00 N ATOM 0 H ARG A 9 6.280 4.018 5.842 1.00 0.00 H new ATOM 0 HA ARG A 9 6.790 1.333 4.940 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.514 2.616 6.052 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.486 2.897 7.443 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.571 0.554 8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.382 0.126 6.579 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.568 2.077 8.583 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.856 0.351 8.665 1.00 0.00 H new ATOM 0 HE ARG A 9 10.744 0.610 6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.875 3.199 8.660 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.310 3.938 7.943 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.590 1.550 5.367 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.276 3.009 6.088 1.00 0.00 H new ATOM 140 N GLU A 10 4.653 1.877 7.372 1.00 0.00 N ATOM 141 CA GLU A 10 3.579 1.268 8.141 1.00 0.00 C ATOM 142 C GLU A 10 2.511 0.730 7.202 1.00 0.00 C ATOM 143 O GLU A 10 1.933 -0.331 7.436 1.00 0.00 O ATOM 144 CB GLU A 10 2.955 2.283 9.103 1.00 0.00 C ATOM 145 CG GLU A 10 3.957 2.936 10.039 1.00 0.00 C ATOM 146 CD GLU A 10 4.804 1.926 10.776 1.00 0.00 C ATOM 147 OE1 GLU A 10 4.276 1.240 11.675 1.00 0.00 O ATOM 148 OE2 GLU A 10 6.005 1.824 10.469 1.00 0.00 O ATOM 0 H GLU A 10 4.747 2.884 7.504 1.00 0.00 H new ATOM 0 HA GLU A 10 3.998 0.448 8.725 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.454 3.059 8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.189 1.784 9.697 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.605 3.600 9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.425 3.555 10.761 1.00 0.00 H new ATOM 153 N ILE A 11 2.261 1.472 6.130 1.00 0.00 N ATOM 154 CA ILE A 11 1.283 1.066 5.133 1.00 0.00 C ATOM 155 C ILE A 11 1.798 -0.136 4.346 1.00 0.00 C ATOM 156 O ILE A 11 1.025 -1.000 3.927 1.00 0.00 O ATOM 157 CB ILE A 11 0.953 2.227 4.175 1.00 0.00 C ATOM 158 CG1 ILE A 11 0.417 3.423 4.966 1.00 0.00 C ATOM 159 CG2 ILE A 11 -0.058 1.782 3.134 1.00 0.00 C ATOM 160 CD1 ILE A 11 0.182 4.657 4.125 1.00 0.00 C ATOM 0 H ILE A 11 2.724 2.359 5.930 1.00 0.00 H new ATOM 0 HA ILE A 11 0.367 0.784 5.653 1.00 0.00 H new ATOM 0 HB ILE A 11 1.865 2.529 3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.519 3.139 5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.122 3.666 5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.281 2.613 2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.353 0.953 2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.974 1.460 3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.197 5.461 4.756 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.120 4.968 3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.547 4.433 3.346 1.00 0.00 H new ATOM 171 N GLY A 12 3.110 -0.190 4.161 1.00 0.00 N ATOM 172 CA GLY A 12 3.732 -1.337 3.528 1.00 0.00 C ATOM 173 C GLY A 12 3.446 -2.618 4.283 1.00 0.00 C ATOM 174 O GLY A 12 3.042 -3.620 3.692 1.00 0.00 O ATOM 0 H GLY A 12 3.759 0.546 4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.369 -1.429 2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.809 -1.181 3.471 1.00 0.00 H new ATOM 178 N GLU A 13 3.640 -2.578 5.596 1.00 0.00 N ATOM 179 CA GLU A 13 3.353 -3.725 6.447 1.00 0.00 C ATOM 180 C GLU A 13 1.856 -4.027 6.457 1.00 0.00 C ATOM 181 O GLU A 13 1.450 -5.185 6.536 1.00 0.00 O ATOM 182 CB GLU A 13 3.852 -3.478 7.873 1.00 0.00 C ATOM 183 CG GLU A 13 5.356 -3.286 7.966 1.00 0.00 C ATOM 184 CD GLU A 13 5.836 -3.095 9.391 1.00 0.00 C ATOM 185 OE1 GLU A 13 5.746 -1.962 9.905 1.00 0.00 O ATOM 186 OE2 GLU A 13 6.316 -4.073 10.004 1.00 0.00 O ATOM 0 H GLU A 13 3.995 -1.762 6.094 1.00 0.00 H new ATOM 0 HA GLU A 13 3.879 -4.589 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.356 -2.595 8.275 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.562 -4.320 8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.856 -4.152 7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.645 -2.420 7.371 1.00 0.00 H new ATOM 191 N ALA A 14 1.044 -2.976 6.362 1.00 0.00 N ATOM 192 CA ALA A 14 -0.407 -3.127 6.306 1.00 0.00 C ATOM 193 C ALA A 14 -0.821 -3.932 5.083 1.00 0.00 C ATOM 194 O ALA A 14 -1.574 -4.900 5.191 1.00 0.00 O ATOM 195 CB ALA A 14 -1.089 -1.767 6.282 1.00 0.00 C ATOM 0 H ALA A 14 1.368 -2.010 6.322 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.721 -3.664 7.201 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.170 -1.903 6.240 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.827 -1.213 7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.759 -1.210 5.405 1.00 0.00 H new ATOM 201 N LEU A 15 -0.316 -3.531 3.921 1.00 0.00 N ATOM 202 CA LEU A 15 -0.651 -4.205 2.673 1.00 0.00 C ATOM 203 C LEU A 15 -0.072 -5.616 2.650 1.00 0.00 C ATOM 204 O LEU A 15 -0.679 -6.531 2.100 1.00 0.00 O ATOM 205 CB LEU A 15 -0.158 -3.403 1.461 1.00 0.00 C ATOM 206 CG LEU A 15 -0.722 -1.983 1.336 1.00 0.00 C ATOM 207 CD1 LEU A 15 -0.386 -1.389 -0.019 1.00 0.00 C ATOM 208 CD2 LEU A 15 -2.226 -1.967 1.576 1.00 0.00 C ATOM 0 H LEU A 15 0.325 -2.744 3.818 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.737 -4.275 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.929 -3.341 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.408 -3.956 0.555 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.254 -1.367 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.796 -0.381 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.696 -1.349 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.817 -2.009 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.599 -0.947 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.719 -2.603 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.438 -2.339 2.578 1.00 0.00 H new ATOM 219 N TYR A 16 1.096 -5.783 3.261 1.00 0.00 N ATOM 220 CA TYR A 16 1.726 -7.094 3.375 1.00 0.00 C ATOM 221 C TYR A 16 0.869 -8.033 4.218 1.00 0.00 C ATOM 222 O TYR A 16 0.649 -9.187 3.851 1.00 0.00 O ATOM 223 CB TYR A 16 3.123 -6.956 3.994 1.00 0.00 C ATOM 224 CG TYR A 16 3.761 -8.275 4.378 1.00 0.00 C ATOM 225 CD1 TYR A 16 4.282 -9.127 3.414 1.00 0.00 C ATOM 226 CD2 TYR A 16 3.837 -8.667 5.709 1.00 0.00 C ATOM 227 CE1 TYR A 16 4.861 -10.332 3.766 1.00 0.00 C ATOM 228 CE2 TYR A 16 4.414 -9.869 6.067 1.00 0.00 C ATOM 229 CZ TYR A 16 4.925 -10.697 5.093 1.00 0.00 C ATOM 230 OH TYR A 16 5.508 -11.895 5.448 1.00 0.00 O ATOM 0 H TYR A 16 1.628 -5.024 3.687 1.00 0.00 H new ATOM 0 HA TYR A 16 1.821 -7.519 2.376 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.773 -6.442 3.286 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.055 -6.325 4.880 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.234 -8.844 2.373 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.438 -8.020 6.476 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.261 -10.984 3.004 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.464 -10.158 7.106 1.00 0.00 H new ATOM 0 HH TYR A 16 5.473 -12.000 6.422 1.00 0.00 H new ATOM 239 N ASP A 17 0.389 -7.524 5.344 1.00 0.00 N ATOM 240 CA ASP A 17 -0.443 -8.304 6.256 1.00 0.00 C ATOM 241 C ASP A 17 -1.780 -8.643 5.606 1.00 0.00 C ATOM 242 O ASP A 17 -2.329 -9.727 5.810 1.00 0.00 O ATOM 243 CB ASP A 17 -0.680 -7.521 7.550 1.00 0.00 C ATOM 244 CG ASP A 17 -1.503 -8.294 8.563 1.00 0.00 C ATOM 245 OD1 ASP A 17 -0.915 -9.080 9.337 1.00 0.00 O ATOM 246 OD2 ASP A 17 -2.733 -8.096 8.612 1.00 0.00 O ATOM 0 H ASP A 17 0.562 -6.567 5.651 1.00 0.00 H new ATOM 0 HA ASP A 17 0.078 -9.233 6.488 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.281 -7.260 7.993 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.187 -6.585 7.315 1.00 0.00 H new ATOM 250 N ALA A 18 -2.289 -7.710 4.815 1.00 0.00 N ATOM 251 CA ALA A 18 -3.574 -7.885 4.155 1.00 0.00 C ATOM 252 C ALA A 18 -3.467 -8.816 2.947 1.00 0.00 C ATOM 253 O ALA A 18 -4.283 -9.724 2.786 1.00 0.00 O ATOM 254 CB ALA A 18 -4.139 -6.536 3.739 1.00 0.00 C ATOM 0 H ALA A 18 -1.830 -6.821 4.614 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.254 -8.351 4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.101 -6.681 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.274 -5.910 4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.448 -6.049 3.051 1.00 0.00 H new ATOM 260 N TYR A 19 -2.463 -8.598 2.103 1.00 0.00 N ATOM 261 CA TYR A 19 -2.334 -9.361 0.864 1.00 0.00 C ATOM 262 C TYR A 19 -0.916 -9.908 0.685 1.00 0.00 C ATOM 263 O TYR A 19 -0.115 -9.344 -0.059 1.00 0.00 O ATOM 264 CB TYR A 19 -2.701 -8.482 -0.339 1.00 0.00 C ATOM 265 CG TYR A 19 -4.047 -7.804 -0.214 1.00 0.00 C ATOM 266 CD1 TYR A 19 -5.222 -8.543 -0.227 1.00 0.00 C ATOM 267 CD2 TYR A 19 -4.140 -6.425 -0.068 1.00 0.00 C ATOM 268 CE1 TYR A 19 -6.451 -7.927 -0.102 1.00 0.00 C ATOM 269 CE2 TYR A 19 -5.367 -5.802 0.059 1.00 0.00 C ATOM 270 CZ TYR A 19 -6.520 -6.558 0.043 1.00 0.00 C ATOM 271 OH TYR A 19 -7.745 -5.946 0.175 1.00 0.00 O ATOM 0 H TYR A 19 -1.731 -7.904 2.252 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.020 -10.206 0.924 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.932 -7.720 -0.468 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.696 -9.096 -1.240 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.174 -9.616 -0.337 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.238 -5.830 -0.054 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.356 -8.516 -0.118 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.422 -4.729 0.170 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.619 -4.979 0.269 1.00 0.00 H new ATOM 280 N PRO A 20 -0.582 -11.014 1.372 1.00 0.00 N ATOM 281 CA PRO A 20 0.708 -11.682 1.217 1.00 0.00 C ATOM 282 C PRO A 20 0.735 -12.576 -0.021 1.00 0.00 C ATOM 283 O PRO A 20 1.793 -12.820 -0.607 1.00 0.00 O ATOM 284 CB PRO A 20 0.846 -12.529 2.493 1.00 0.00 C ATOM 285 CG PRO A 20 -0.397 -12.295 3.295 1.00 0.00 C ATOM 286 CD PRO A 20 -1.413 -11.690 2.368 1.00 0.00 C ATOM 0 HA PRO A 20 1.522 -10.969 1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.956 -13.585 2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.732 -12.239 3.057 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.767 -13.231 3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.195 -11.628 4.133 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.050 -12.450 1.915 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.070 -10.992 2.888 1.00 0.00 H new ATOM 291 N ASP A 21 -0.443 -13.055 -0.410 1.00 0.00 N ATOM 292 CA ASP A 21 -0.578 -13.940 -1.565 1.00 0.00 C ATOM 293 C ASP A 21 -0.536 -13.153 -2.863 1.00 0.00 C ATOM 294 O ASP A 21 -0.215 -13.694 -3.923 1.00 0.00 O ATOM 295 CB ASP A 21 -1.892 -14.721 -1.499 1.00 0.00 C ATOM 296 CG ASP A 21 -1.951 -15.679 -0.334 1.00 0.00 C ATOM 297 OD1 ASP A 21 -1.469 -16.822 -0.478 1.00 0.00 O ATOM 298 OD2 ASP A 21 -2.488 -15.297 0.726 1.00 0.00 O ATOM 0 H ASP A 21 -1.323 -12.844 0.060 1.00 0.00 H new ATOM 0 HA ASP A 21 0.260 -14.636 -1.541 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.722 -14.019 -1.427 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.025 -15.277 -2.427 1.00 0.00 H new ATOM 302 N LEU A 22 -0.852 -11.873 -2.774 1.00 0.00 N ATOM 303 CA LEU A 22 -0.947 -11.031 -3.952 1.00 0.00 C ATOM 304 C LEU A 22 0.412 -10.421 -4.256 1.00 0.00 C ATOM 305 O LEU A 22 1.013 -9.763 -3.408 1.00 0.00 O ATOM 306 CB LEU A 22 -1.999 -9.941 -3.724 1.00 0.00 C ATOM 307 CG LEU A 22 -2.826 -9.546 -4.951 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.977 -8.645 -4.538 1.00 0.00 C ATOM 309 CD2 LEU A 22 -1.965 -8.854 -5.997 1.00 0.00 C ATOM 0 H LEU A 22 -1.048 -11.393 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.254 -11.631 -4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.681 -10.278 -2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.496 -9.051 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.227 -10.457 -5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.558 -8.370 -5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.617 -9.173 -3.831 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.583 -7.744 -4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.581 -8.586 -6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.527 -7.952 -5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.170 -9.527 -6.317 1.00 0.00 H new ATOM 320 N ASP A 23 0.896 -10.667 -5.462 1.00 0.00 N ATOM 321 CA ASP A 23 2.213 -10.199 -5.879 1.00 0.00 C ATOM 322 C ASP A 23 2.247 -8.686 -6.008 1.00 0.00 C ATOM 323 O ASP A 23 1.500 -8.108 -6.797 1.00 0.00 O ATOM 324 CB ASP A 23 2.612 -10.831 -7.215 1.00 0.00 C ATOM 325 CG ASP A 23 3.077 -12.261 -7.066 1.00 0.00 C ATOM 326 OD1 ASP A 23 4.240 -12.477 -6.668 1.00 0.00 O ATOM 327 OD2 ASP A 23 2.276 -13.179 -7.345 1.00 0.00 O ATOM 0 H ASP A 23 0.394 -11.193 -6.177 1.00 0.00 H new ATOM 0 HA ASP A 23 2.924 -10.500 -5.109 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.762 -10.799 -7.896 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.407 -10.240 -7.669 1.00 0.00 H new ATOM 331 N PRO A 24 3.126 -8.027 -5.237 1.00 0.00 N ATOM 332 CA PRO A 24 3.326 -6.578 -5.321 1.00 0.00 C ATOM 333 C PRO A 24 3.801 -6.151 -6.711 1.00 0.00 C ATOM 334 O PRO A 24 3.677 -4.989 -7.089 1.00 0.00 O ATOM 335 CB PRO A 24 4.391 -6.284 -4.257 1.00 0.00 C ATOM 336 CG PRO A 24 5.024 -7.601 -3.953 1.00 0.00 C ATOM 337 CD PRO A 24 3.972 -8.640 -4.201 1.00 0.00 C ATOM 0 HA PRO A 24 2.401 -6.026 -5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.128 -5.570 -4.626 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.944 -5.848 -3.364 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.894 -7.770 -4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.370 -7.637 -2.920 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.407 -9.579 -4.542 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.404 -8.861 -3.297 1.00 0.00 H new ATOM 342 N LYS A 25 4.340 -7.107 -7.464 1.00 0.00 N ATOM 343 CA LYS A 25 4.699 -6.878 -8.863 1.00 0.00 C ATOM 344 C LYS A 25 3.442 -6.660 -9.691 1.00 0.00 C ATOM 345 O LYS A 25 3.409 -5.833 -10.603 1.00 0.00 O ATOM 346 CB LYS A 25 5.446 -8.080 -9.441 1.00 0.00 C ATOM 347 CG LYS A 25 6.754 -8.406 -8.740 1.00 0.00 C ATOM 348 CD LYS A 25 7.423 -9.614 -9.376 1.00 0.00 C ATOM 349 CE LYS A 25 8.764 -9.927 -8.730 1.00 0.00 C ATOM 350 NZ LYS A 25 8.650 -10.063 -7.257 1.00 0.00 N ATOM 0 H LYS A 25 4.538 -8.050 -7.129 1.00 0.00 H new ATOM 0 HA LYS A 25 5.341 -5.998 -8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.795 -8.953 -9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.650 -7.892 -10.495 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.422 -7.546 -8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.567 -8.603 -7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.767 -10.480 -9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.567 -9.430 -10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.163 -10.850 -9.150 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.475 -9.136 -8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.401 -10.692 -6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.747 -9.127 -6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.722 -10.465 -7.016 1.00 0.00 H new ATOM 360 N THR A 26 2.417 -7.424 -9.356 1.00 0.00 N ATOM 361 CA THR A 26 1.166 -7.417 -10.079 1.00 0.00 C ATOM 362 C THR A 26 0.290 -6.238 -9.650 1.00 0.00 C ATOM 363 O THR A 26 -0.628 -5.837 -10.367 1.00 0.00 O ATOM 364 CB THR A 26 0.425 -8.741 -9.824 1.00 0.00 C ATOM 365 OG1 THR A 26 1.349 -9.835 -9.917 1.00 0.00 O ATOM 366 CG2 THR A 26 -0.680 -8.958 -10.829 1.00 0.00 C ATOM 0 H THR A 26 2.434 -8.071 -8.567 1.00 0.00 H new ATOM 0 HA THR A 26 1.378 -7.310 -11.143 1.00 0.00 H new ATOM 0 HB THR A 26 -0.013 -8.690 -8.827 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.865 -10.681 -9.816 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.182 -9.902 -10.619 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.399 -8.142 -10.761 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.258 -8.987 -11.833 1.00 0.00 H new ATOM 374 N VAL A 27 0.583 -5.680 -8.480 1.00 0.00 N ATOM 375 CA VAL A 27 -0.173 -4.545 -7.975 1.00 0.00 C ATOM 376 C VAL A 27 0.202 -3.275 -8.724 1.00 0.00 C ATOM 377 O VAL A 27 1.347 -2.826 -8.667 1.00 0.00 O ATOM 378 CB VAL A 27 0.056 -4.315 -6.465 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.872 -3.235 -5.946 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.133 -5.607 -5.689 1.00 0.00 C ATOM 0 H VAL A 27 1.336 -5.995 -7.868 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.226 -4.779 -8.134 1.00 0.00 H new ATOM 0 HB VAL A 27 1.084 -3.982 -6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.697 -3.086 -4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.680 -2.304 -6.479 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.907 -3.537 -6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.033 -5.422 -4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.148 -5.976 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.580 -6.352 -6.043 1.00 0.00 H new ATOM 390 N ARG A 28 -0.760 -2.718 -9.442 1.00 0.00 N ATOM 391 CA ARG A 28 -0.560 -1.453 -10.130 1.00 0.00 C ATOM 392 C ARG A 28 -0.978 -0.318 -9.209 1.00 0.00 C ATOM 393 O ARG A 28 -1.745 -0.552 -8.281 1.00 0.00 O ATOM 394 CB ARG A 28 -1.372 -1.417 -11.427 1.00 0.00 C ATOM 395 CG ARG A 28 -1.186 -2.657 -12.285 1.00 0.00 C ATOM 396 CD ARG A 28 -1.987 -2.575 -13.572 1.00 0.00 C ATOM 397 NE ARG A 28 -1.435 -1.596 -14.503 1.00 0.00 N ATOM 398 CZ ARG A 28 -1.901 -1.398 -15.735 1.00 0.00 C ATOM 399 NH1 ARG A 28 -2.990 -2.036 -16.154 1.00 0.00 N ATOM 400 NH2 ARG A 28 -1.285 -0.548 -16.539 1.00 0.00 N ATOM 0 H ARG A 28 -1.688 -3.123 -9.564 1.00 0.00 H new ATOM 0 HA ARG A 28 0.493 -1.341 -10.389 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.429 -1.307 -11.183 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.085 -0.538 -12.004 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.129 -2.781 -12.521 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.492 -3.539 -11.722 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.008 -3.555 -14.048 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.019 -2.312 -13.340 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.646 -1.030 -14.192 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.474 -2.682 -15.531 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.341 -1.879 -17.099 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.457 -0.048 -16.215 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.637 -0.393 -17.483 1.00 0.00 H new ATOM 411 N PHE A 29 -0.497 0.892 -9.448 1.00 0.00 N ATOM 412 CA PHE A 29 -0.753 2.000 -8.530 1.00 0.00 C ATOM 413 C PHE A 29 -2.250 2.245 -8.355 1.00 0.00 C ATOM 414 O PHE A 29 -2.724 2.476 -7.240 1.00 0.00 O ATOM 415 CB PHE A 29 -0.053 3.275 -9.005 1.00 0.00 C ATOM 416 CG PHE A 29 1.447 3.186 -8.962 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.104 2.963 -7.762 1.00 0.00 C ATOM 418 CD2 PHE A 29 2.197 3.321 -10.117 1.00 0.00 C ATOM 419 CE1 PHE A 29 3.481 2.878 -7.715 1.00 0.00 C ATOM 420 CE2 PHE A 29 3.577 3.237 -10.078 1.00 0.00 C ATOM 421 CZ PHE A 29 4.219 3.014 -8.876 1.00 0.00 C ATOM 0 H PHE A 29 0.068 1.135 -10.261 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.343 1.722 -7.559 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.367 3.494 -10.026 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.378 4.111 -8.385 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.532 2.854 -6.853 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.699 3.494 -11.060 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.981 2.706 -6.773 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.151 3.346 -10.986 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.296 2.946 -8.843 1.00 0.00 H new ATOM 430 N THR A 30 -2.993 2.159 -9.449 1.00 0.00 N ATOM 431 CA THR A 30 -4.432 2.366 -9.404 1.00 0.00 C ATOM 432 C THR A 30 -5.132 1.253 -8.624 1.00 0.00 C ATOM 433 O THR A 30 -5.998 1.518 -7.793 1.00 0.00 O ATOM 434 CB THR A 30 -5.012 2.466 -10.823 1.00 0.00 C ATOM 435 OG1 THR A 30 -4.394 1.491 -11.677 1.00 0.00 O ATOM 436 CG2 THR A 30 -4.797 3.860 -11.395 1.00 0.00 C ATOM 0 H THR A 30 -2.624 1.948 -10.376 1.00 0.00 H new ATOM 0 HA THR A 30 -4.612 3.307 -8.885 1.00 0.00 H new ATOM 0 HB THR A 30 -6.083 2.272 -10.770 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.771 1.561 -12.579 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.215 3.909 -12.400 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.292 4.594 -10.760 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.729 4.076 -11.435 1.00 0.00 H new ATOM 444 N ASP A 31 -4.735 0.009 -8.878 1.00 0.00 N ATOM 445 CA ASP A 31 -5.289 -1.141 -8.159 1.00 0.00 C ATOM 446 C ASP A 31 -4.911 -1.071 -6.685 1.00 0.00 C ATOM 447 O ASP A 31 -5.723 -1.344 -5.803 1.00 0.00 O ATOM 448 CB ASP A 31 -4.780 -2.450 -8.766 1.00 0.00 C ATOM 449 CG ASP A 31 -5.229 -2.637 -10.199 1.00 0.00 C ATOM 450 OD1 ASP A 31 -4.547 -2.130 -11.112 1.00 0.00 O ATOM 451 OD2 ASP A 31 -6.271 -3.287 -10.418 1.00 0.00 O ATOM 0 H ASP A 31 -4.031 -0.231 -9.576 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.375 -1.113 -8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.691 -2.467 -8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.135 -3.288 -8.165 1.00 0.00 H new ATOM 455 N MET A 32 -3.667 -0.689 -6.439 1.00 0.00 N ATOM 456 CA MET A 32 -3.147 -0.491 -5.091 1.00 0.00 C ATOM 457 C MET A 32 -3.982 0.542 -4.347 1.00 0.00 C ATOM 458 O MET A 32 -4.307 0.366 -3.171 1.00 0.00 O ATOM 459 CB MET A 32 -1.698 -0.018 -5.192 1.00 0.00 C ATOM 460 CG MET A 32 -0.969 0.045 -3.872 1.00 0.00 C ATOM 461 SD MET A 32 0.641 0.823 -4.034 1.00 0.00 S ATOM 462 CE MET A 32 1.071 1.016 -2.318 1.00 0.00 C ATOM 0 H MET A 32 -2.983 -0.506 -7.174 1.00 0.00 H new ATOM 0 HA MET A 32 -3.195 -1.429 -4.539 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.156 -0.687 -5.861 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.683 0.971 -5.649 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.570 0.600 -3.151 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.847 -0.963 -3.476 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.096 2.076 -2.066 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.329 0.513 -1.698 1.00 0.00 H new ATOM 0 HE3 MET A 32 2.052 0.577 -2.137 1.00 0.00 H new ATOM 470 N HIS A 33 -4.338 1.611 -5.054 1.00 0.00 N ATOM 471 CA HIS A 33 -5.162 2.679 -4.498 1.00 0.00 C ATOM 472 C HIS A 33 -6.500 2.131 -4.014 1.00 0.00 C ATOM 473 O HIS A 33 -7.028 2.576 -3.003 1.00 0.00 O ATOM 474 CB HIS A 33 -5.407 3.765 -5.558 1.00 0.00 C ATOM 475 CG HIS A 33 -6.147 4.971 -5.044 1.00 0.00 C ATOM 476 ND1 HIS A 33 -7.523 5.056 -4.979 1.00 0.00 N ATOM 477 CD2 HIS A 33 -5.683 6.149 -4.571 1.00 0.00 C ATOM 478 CE1 HIS A 33 -7.868 6.234 -4.487 1.00 0.00 C ATOM 479 NE2 HIS A 33 -6.769 6.915 -4.231 1.00 0.00 N ATOM 0 H HIS A 33 -4.064 1.761 -6.025 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.631 3.112 -3.650 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.447 4.086 -5.962 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.971 3.331 -6.384 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.646 6.435 -4.478 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -8.878 6.579 -4.323 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -6.732 7.858 -3.843 1.00 0.00 H new ATOM 487 N GLN A 34 -7.012 1.137 -4.725 1.00 0.00 N ATOM 488 CA GLN A 34 -8.343 0.602 -4.462 1.00 0.00 C ATOM 489 C GLN A 34 -8.386 -0.100 -3.117 1.00 0.00 C ATOM 490 O GLN A 34 -9.380 -0.043 -2.396 1.00 0.00 O ATOM 491 CB GLN A 34 -8.736 -0.383 -5.561 1.00 0.00 C ATOM 492 CG GLN A 34 -8.873 0.256 -6.931 1.00 0.00 C ATOM 493 CD GLN A 34 -9.033 -0.759 -8.050 1.00 0.00 C ATOM 494 OE1 GLN A 34 -9.575 -1.847 -7.853 1.00 0.00 O ATOM 495 NE2 GLN A 34 -8.560 -0.407 -9.235 1.00 0.00 N ATOM 0 H GLN A 34 -6.522 0.681 -5.495 1.00 0.00 H new ATOM 0 HA GLN A 34 -9.047 1.434 -4.447 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.988 -1.175 -5.612 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.682 -0.854 -5.293 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.734 0.924 -6.929 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.994 0.870 -7.128 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.118 0.504 -9.357 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.638 -1.047 -10.026 1.00 0.00 H new ATOM 502 N TRP A 35 -7.299 -0.766 -2.792 1.00 0.00 N ATOM 503 CA TRP A 35 -7.213 -1.514 -1.555 1.00 0.00 C ATOM 504 C TRP A 35 -6.745 -0.621 -0.414 1.00 0.00 C ATOM 505 O TRP A 35 -7.358 -0.599 0.648 1.00 0.00 O ATOM 506 CB TRP A 35 -6.269 -2.706 -1.726 1.00 0.00 C ATOM 507 CG TRP A 35 -6.586 -3.527 -2.937 1.00 0.00 C ATOM 508 CD1 TRP A 35 -7.827 -3.864 -3.396 1.00 0.00 C ATOM 509 CD2 TRP A 35 -5.649 -4.114 -3.846 1.00 0.00 C ATOM 510 NE1 TRP A 35 -7.718 -4.612 -4.541 1.00 0.00 N ATOM 511 CE2 TRP A 35 -6.393 -4.782 -4.836 1.00 0.00 C ATOM 512 CE3 TRP A 35 -4.258 -4.133 -3.922 1.00 0.00 C ATOM 513 CZ2 TRP A 35 -5.789 -5.467 -5.886 1.00 0.00 C ATOM 514 CZ3 TRP A 35 -3.658 -4.814 -4.963 1.00 0.00 C ATOM 515 CH2 TRP A 35 -4.423 -5.469 -5.935 1.00 0.00 C ATOM 0 H TRP A 35 -6.459 -0.805 -3.369 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.207 -1.886 -1.306 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -5.243 -2.344 -1.796 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.324 -3.338 -0.839 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.758 -3.583 -2.926 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.498 -4.981 -5.084 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.660 -3.624 -3.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.377 -5.978 -6.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.580 -4.842 -5.028 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -3.924 -5.987 -6.741 1.00 0.00 H new ATOM 525 N ILE A 36 -5.685 0.145 -0.650 1.00 0.00 N ATOM 526 CA ILE A 36 -5.076 0.943 0.406 1.00 0.00 C ATOM 527 C ILE A 36 -5.980 2.120 0.808 1.00 0.00 C ATOM 528 O ILE A 36 -6.002 2.524 1.966 1.00 0.00 O ATOM 529 CB ILE A 36 -3.645 1.412 -0.004 1.00 0.00 C ATOM 530 CG1 ILE A 36 -2.795 1.760 1.226 1.00 0.00 C ATOM 531 CG2 ILE A 36 -3.676 2.586 -0.973 1.00 0.00 C ATOM 532 CD1 ILE A 36 -3.104 3.101 1.863 1.00 0.00 C ATOM 0 H ILE A 36 -5.232 0.230 -1.560 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.968 0.313 1.289 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.182 0.571 -0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.931 0.980 1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.744 1.746 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.656 2.875 -1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.208 2.296 -1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.186 3.429 -0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.452 3.254 2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.939 3.896 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.144 3.118 2.189 1.00 0.00 H new ATOM 543 N CYS A 37 -6.770 2.634 -0.128 1.00 0.00 N ATOM 544 CA CYS A 37 -7.669 3.745 0.177 1.00 0.00 C ATOM 545 C CYS A 37 -8.925 3.235 0.881 1.00 0.00 C ATOM 546 O CYS A 37 -9.702 4.012 1.438 1.00 0.00 O ATOM 547 CB CYS A 37 -8.057 4.495 -1.099 1.00 0.00 C ATOM 548 SG CYS A 37 -8.995 6.015 -0.815 1.00 0.00 S ATOM 0 H CYS A 37 -6.808 2.306 -1.093 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.144 4.433 0.840 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.150 4.740 -1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.647 3.831 -1.731 1.00 0.00 H new ATOM 0 HG CYS A 37 -9.708 5.890 0.265 1.00 0.00 H new ATOM 553 N ASP A 38 -9.104 1.922 0.864 1.00 0.00 N ATOM 554 CA ASP A 38 -10.294 1.302 1.428 1.00 0.00 C ATOM 555 C ASP A 38 -9.919 0.428 2.626 1.00 0.00 C ATOM 556 O ASP A 38 -10.690 -0.423 3.066 1.00 0.00 O ATOM 557 CB ASP A 38 -11.001 0.482 0.341 1.00 0.00 C ATOM 558 CG ASP A 38 -12.335 -0.092 0.778 1.00 0.00 C ATOM 559 OD1 ASP A 38 -13.285 0.688 0.993 1.00 0.00 O ATOM 560 OD2 ASP A 38 -12.438 -1.333 0.893 1.00 0.00 O ATOM 0 H ASP A 38 -8.437 1.263 0.464 1.00 0.00 H new ATOM 0 HA ASP A 38 -10.977 2.074 1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.157 1.113 -0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.348 -0.335 0.033 1.00 0.00 H new ATOM 564 N LEU A 39 -8.720 0.647 3.158 1.00 0.00 N ATOM 565 CA LEU A 39 -8.259 -0.099 4.322 1.00 0.00 C ATOM 566 C LEU A 39 -9.138 0.199 5.527 1.00 0.00 C ATOM 567 O LEU A 39 -9.611 1.323 5.713 1.00 0.00 O ATOM 568 CB LEU A 39 -6.807 0.238 4.663 1.00 0.00 C ATOM 569 CG LEU A 39 -5.778 -0.125 3.596 1.00 0.00 C ATOM 570 CD1 LEU A 39 -4.376 0.205 4.079 1.00 0.00 C ATOM 571 CD2 LEU A 39 -5.886 -1.593 3.237 1.00 0.00 C ATOM 0 H LEU A 39 -8.053 1.332 2.803 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.322 -1.159 4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.738 1.308 4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.541 -0.274 5.588 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.981 0.464 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.653 -0.060 3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.306 1.272 4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.161 -0.360 4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.146 -1.837 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.706 -2.199 4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.885 -1.801 2.853 1.00 0.00 H new ATOM 582 N GLU A 40 -9.343 -0.830 6.334 1.00 0.00 N ATOM 583 CA GLU A 40 -10.197 -0.750 7.507 1.00 0.00 C ATOM 584 C GLU A 40 -9.683 0.297 8.489 1.00 0.00 C ATOM 585 O GLU A 40 -10.461 0.896 9.228 1.00 0.00 O ATOM 586 CB GLU A 40 -10.270 -2.123 8.181 1.00 0.00 C ATOM 587 CG GLU A 40 -11.381 -2.250 9.209 1.00 0.00 C ATOM 588 CD GLU A 40 -12.745 -1.950 8.621 1.00 0.00 C ATOM 589 OE1 GLU A 40 -13.049 -2.468 7.525 1.00 0.00 O ATOM 590 OE2 GLU A 40 -13.511 -1.198 9.251 1.00 0.00 O ATOM 0 H GLU A 40 -8.920 -1.747 6.193 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.196 -0.448 7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.410 -2.885 7.415 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.316 -2.329 8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.379 -3.259 9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.187 -1.568 10.037 1.00 0.00 H new ATOM 595 N ASP A 41 -8.374 0.520 8.484 1.00 0.00 N ATOM 596 CA ASP A 41 -7.763 1.491 9.380 1.00 0.00 C ATOM 597 C ASP A 41 -7.155 2.668 8.623 1.00 0.00 C ATOM 598 O ASP A 41 -6.525 3.538 9.233 1.00 0.00 O ATOM 599 CB ASP A 41 -6.694 0.835 10.258 1.00 0.00 C ATOM 600 CG ASP A 41 -5.556 0.215 9.471 1.00 0.00 C ATOM 601 OD1 ASP A 41 -5.803 -0.319 8.371 1.00 0.00 O ATOM 602 OD2 ASP A 41 -4.408 0.254 9.965 1.00 0.00 O ATOM 0 H ASP A 41 -7.716 0.041 7.869 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.562 1.874 10.015 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.288 1.582 10.940 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.162 0.065 10.871 1.00 0.00 H new ATOM 606 N PHE A 42 -7.318 2.705 7.302 1.00 0.00 N ATOM 607 CA PHE A 42 -6.880 3.872 6.543 1.00 0.00 C ATOM 608 C PHE A 42 -7.635 5.111 7.011 1.00 0.00 C ATOM 609 O PHE A 42 -8.857 5.076 7.192 1.00 0.00 O ATOM 610 CB PHE A 42 -7.076 3.686 5.035 1.00 0.00 C ATOM 611 CG PHE A 42 -6.726 4.914 4.239 1.00 0.00 C ATOM 612 CD1 PHE A 42 -5.404 5.291 4.077 1.00 0.00 C ATOM 613 CD2 PHE A 42 -7.718 5.697 3.669 1.00 0.00 C ATOM 614 CE1 PHE A 42 -5.076 6.425 3.361 1.00 0.00 C ATOM 615 CE2 PHE A 42 -7.398 6.835 2.954 1.00 0.00 C ATOM 616 CZ PHE A 42 -6.073 7.199 2.799 1.00 0.00 C ATOM 0 H PHE A 42 -7.739 1.960 6.747 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.813 3.997 6.725 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.462 2.852 4.695 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.114 3.417 4.840 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.620 4.691 4.516 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.754 5.414 3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.040 6.707 3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.180 7.438 2.518 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.818 8.087 2.240 1.00 0.00 H new ATOM 625 N ASP A 43 -6.898 6.193 7.214 1.00 0.00 N ATOM 626 CA ASP A 43 -7.471 7.452 7.672 1.00 0.00 C ATOM 627 C ASP A 43 -6.505 8.585 7.383 1.00 0.00 C ATOM 628 O ASP A 43 -5.593 8.843 8.168 1.00 0.00 O ATOM 629 CB ASP A 43 -7.779 7.393 9.172 1.00 0.00 C ATOM 630 CG ASP A 43 -8.305 8.709 9.716 1.00 0.00 C ATOM 631 OD1 ASP A 43 -9.521 8.967 9.579 1.00 0.00 O ATOM 632 OD2 ASP A 43 -7.509 9.487 10.280 1.00 0.00 O ATOM 0 H ASP A 43 -5.889 6.224 7.067 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.405 7.627 7.138 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.513 6.609 9.357 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.874 7.117 9.714 1.00 0.00 H new ATOM 636 N ASP A 44 -6.685 9.236 6.247 1.00 0.00 N ATOM 637 CA ASP A 44 -5.830 10.350 5.874 1.00 0.00 C ATOM 638 C ASP A 44 -6.478 11.172 4.756 1.00 0.00 C ATOM 639 O ASP A 44 -7.351 11.999 5.028 1.00 0.00 O ATOM 640 CB ASP A 44 -4.428 9.855 5.478 1.00 0.00 C ATOM 641 CG ASP A 44 -3.432 10.989 5.276 1.00 0.00 C ATOM 642 OD1 ASP A 44 -3.816 12.168 5.431 1.00 0.00 O ATOM 643 OD2 ASP A 44 -2.260 10.704 4.954 1.00 0.00 O ATOM 0 H ASP A 44 -7.413 9.014 5.568 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.711 11.003 6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.054 9.184 6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.500 9.274 4.559 1.00 0.00 H new ATOM 647 N ASP A 45 -6.074 10.951 3.511 1.00 0.00 N ATOM 648 CA ASP A 45 -6.662 11.668 2.387 1.00 0.00 C ATOM 649 C ASP A 45 -6.676 10.790 1.141 1.00 0.00 C ATOM 650 O ASP A 45 -5.629 10.425 0.624 1.00 0.00 O ATOM 651 CB ASP A 45 -5.904 12.964 2.102 1.00 0.00 C ATOM 652 CG ASP A 45 -6.632 13.837 1.101 1.00 0.00 C ATOM 653 OD1 ASP A 45 -7.505 14.627 1.520 1.00 0.00 O ATOM 654 OD2 ASP A 45 -6.343 13.736 -0.108 1.00 0.00 O ATOM 0 H ASP A 45 -5.345 10.285 3.255 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.688 11.921 2.655 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.766 13.516 3.032 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.910 12.727 1.722 1.00 0.00 H new ATOM 658 N PRO A 46 -7.863 10.457 0.636 1.00 0.00 N ATOM 659 CA PRO A 46 -8.017 9.574 -0.534 1.00 0.00 C ATOM 660 C PRO A 46 -7.501 10.181 -1.842 1.00 0.00 C ATOM 661 O PRO A 46 -7.396 9.485 -2.856 1.00 0.00 O ATOM 662 CB PRO A 46 -9.530 9.357 -0.614 1.00 0.00 C ATOM 663 CG PRO A 46 -10.133 10.517 0.099 1.00 0.00 C ATOM 664 CD PRO A 46 -9.157 10.897 1.174 1.00 0.00 C ATOM 0 HA PRO A 46 -7.432 8.662 -0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.867 9.314 -1.650 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.817 8.415 -0.146 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.304 11.349 -0.584 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.100 10.252 0.526 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.168 11.970 1.365 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.388 10.403 2.118 1.00 0.00 H new ATOM 669 N GLN A 47 -7.168 11.468 -1.820 1.00 0.00 N ATOM 670 CA GLN A 47 -6.787 12.176 -3.033 1.00 0.00 C ATOM 671 C GLN A 47 -5.274 12.354 -3.153 1.00 0.00 C ATOM 672 O GLN A 47 -4.725 12.292 -4.256 1.00 0.00 O ATOM 673 CB GLN A 47 -7.473 13.540 -3.066 1.00 0.00 C ATOM 674 CG GLN A 47 -8.979 13.458 -3.174 1.00 0.00 C ATOM 675 CD GLN A 47 -9.660 14.779 -2.875 1.00 0.00 C ATOM 676 OE1 GLN A 47 -9.872 15.606 -3.764 1.00 0.00 O ATOM 677 NE2 GLN A 47 -10.018 14.983 -1.618 1.00 0.00 N ATOM 0 H GLN A 47 -7.155 12.040 -0.975 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.110 11.571 -3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.211 14.091 -2.163 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.087 14.111 -3.910 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.250 13.134 -4.179 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.348 12.699 -2.484 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.825 14.274 -0.911 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.487 15.850 -1.356 1.00 0.00 H new ATOM 684 N ALA A 48 -4.594 12.570 -2.031 1.00 0.00 N ATOM 685 CA ALA A 48 -3.154 12.840 -2.055 1.00 0.00 C ATOM 686 C ALA A 48 -2.322 11.570 -2.142 1.00 0.00 C ATOM 687 O ALA A 48 -1.181 11.531 -1.676 1.00 0.00 O ATOM 688 CB ALA A 48 -2.718 13.629 -0.841 1.00 0.00 C ATOM 0 H ALA A 48 -5.009 12.564 -1.099 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.980 13.428 -2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.645 13.811 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.247 14.582 -0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.948 13.064 0.062 1.00 0.00 H new ATOM 694 N SER A 49 -2.876 10.541 -2.740 1.00 0.00 N ATOM 695 CA SER A 49 -2.129 9.328 -2.987 1.00 0.00 C ATOM 696 C SER A 49 -1.229 9.515 -4.202 1.00 0.00 C ATOM 697 O SER A 49 -1.396 8.851 -5.228 1.00 0.00 O ATOM 698 CB SER A 49 -3.104 8.181 -3.195 1.00 0.00 C ATOM 699 OG SER A 49 -4.236 8.628 -3.922 1.00 0.00 O ATOM 0 H SER A 49 -3.843 10.519 -3.065 1.00 0.00 H new ATOM 0 HA SER A 49 -1.494 9.096 -2.132 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.614 7.370 -3.733 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.417 7.780 -2.231 1.00 0.00 H new ATOM 0 HG SER A 49 -3.950 8.971 -4.795 1.00 0.00 H new ATOM 704 N ASN A 50 -0.300 10.461 -4.087 1.00 0.00 N ATOM 705 CA ASN A 50 0.639 10.760 -5.167 1.00 0.00 C ATOM 706 C ASN A 50 1.403 9.518 -5.622 1.00 0.00 C ATOM 707 O ASN A 50 1.516 8.537 -4.882 1.00 0.00 O ATOM 708 CB ASN A 50 1.631 11.851 -4.755 1.00 0.00 C ATOM 709 CG ASN A 50 0.956 13.175 -4.468 1.00 0.00 C ATOM 710 OD1 ASN A 50 -0.100 13.482 -5.018 1.00 0.00 O ATOM 711 ND2 ASN A 50 1.567 13.967 -3.605 1.00 0.00 N ATOM 0 H ASN A 50 -0.177 11.036 -3.254 1.00 0.00 H new ATOM 0 HA ASN A 50 0.042 11.120 -6.005 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.175 11.526 -3.869 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.366 11.987 -5.548 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.164 14.874 -3.371 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.442 13.671 -3.172 1.00 0.00 H new ATOM 717 N GLU A 51 1.932 9.566 -6.831 1.00 0.00 N ATOM 718 CA GLU A 51 2.581 8.414 -7.438 1.00 0.00 C ATOM 719 C GLU A 51 3.744 7.930 -6.579 1.00 0.00 C ATOM 720 O GLU A 51 3.792 6.762 -6.195 1.00 0.00 O ATOM 721 CB GLU A 51 3.075 8.747 -8.853 1.00 0.00 C ATOM 722 CG GLU A 51 1.976 9.182 -9.820 1.00 0.00 C ATOM 723 CD GLU A 51 1.315 10.482 -9.410 1.00 0.00 C ATOM 724 OE1 GLU A 51 2.042 11.471 -9.175 1.00 0.00 O ATOM 725 OE2 GLU A 51 0.077 10.514 -9.273 1.00 0.00 O ATOM 0 H GLU A 51 1.925 10.399 -7.419 1.00 0.00 H new ATOM 0 HA GLU A 51 1.843 7.615 -7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.819 9.541 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.578 7.872 -9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.400 9.294 -10.818 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.220 8.399 -9.881 1.00 0.00 H new ATOM 730 N LYS A 52 4.656 8.839 -6.243 1.00 0.00 N ATOM 731 CA LYS A 52 5.825 8.488 -5.435 1.00 0.00 C ATOM 732 C LYS A 52 5.426 8.100 -4.011 1.00 0.00 C ATOM 733 O LYS A 52 6.200 7.464 -3.294 1.00 0.00 O ATOM 734 CB LYS A 52 6.845 9.628 -5.416 1.00 0.00 C ATOM 735 CG LYS A 52 6.256 10.979 -5.048 1.00 0.00 C ATOM 736 CD LYS A 52 7.318 12.067 -5.047 1.00 0.00 C ATOM 737 CE LYS A 52 6.701 13.449 -4.945 1.00 0.00 C ATOM 738 NZ LYS A 52 5.897 13.788 -6.148 1.00 0.00 N ATOM 0 H LYS A 52 4.610 9.821 -6.516 1.00 0.00 H new ATOM 0 HA LYS A 52 6.292 7.620 -5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.635 9.383 -4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.310 9.702 -6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.468 11.239 -5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.793 10.919 -4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.000 11.910 -4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.911 11.999 -5.959 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.068 13.499 -4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.490 14.190 -4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.764 14.818 -6.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.394 13.462 -7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.969 13.321 -6.088 1.00 0.00 H new ATOM 748 N ILE A 53 4.221 8.487 -3.605 1.00 0.00 N ATOM 749 CA ILE A 53 3.668 8.049 -2.329 1.00 0.00 C ATOM 750 C ILE A 53 3.431 6.546 -2.370 1.00 0.00 C ATOM 751 O ILE A 53 4.004 5.791 -1.583 1.00 0.00 O ATOM 752 CB ILE A 53 2.332 8.759 -2.011 1.00 0.00 C ATOM 753 CG1 ILE A 53 2.550 10.254 -1.776 1.00 0.00 C ATOM 754 CG2 ILE A 53 1.660 8.122 -0.803 1.00 0.00 C ATOM 755 CD1 ILE A 53 3.310 10.568 -0.508 1.00 0.00 C ATOM 0 H ILE A 53 3.609 9.103 -4.141 1.00 0.00 H new ATOM 0 HA ILE A 53 4.385 8.304 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 53 1.675 8.643 -2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.091 10.671 -2.625 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.581 10.752 -1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.721 8.636 -0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.460 7.071 -1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.317 8.202 0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.425 11.648 -0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.760 10.183 0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.294 10.100 -0.548 1.00 0.00 H new ATOM 766 N LEU A 54 2.602 6.125 -3.318 1.00 0.00 N ATOM 767 CA LEU A 54 2.296 4.714 -3.504 1.00 0.00 C ATOM 768 C LEU A 54 3.559 3.945 -3.878 1.00 0.00 C ATOM 769 O LEU A 54 3.741 2.800 -3.472 1.00 0.00 O ATOM 770 CB LEU A 54 1.227 4.542 -4.587 1.00 0.00 C ATOM 771 CG LEU A 54 -0.118 5.212 -4.288 1.00 0.00 C ATOM 772 CD1 LEU A 54 -1.051 5.090 -5.483 1.00 0.00 C ATOM 773 CD2 LEU A 54 -0.756 4.595 -3.053 1.00 0.00 C ATOM 0 H LEU A 54 2.128 6.746 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 54 1.909 4.313 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.614 4.943 -5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.058 3.476 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 54 0.060 6.270 -4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.002 5.571 -5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.599 5.574 -6.348 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.222 4.037 -5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.711 5.082 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.920 3.531 -3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.095 4.729 -2.197 1.00 0.00 H new ATOM 784 N GLU A 55 4.432 4.598 -4.637 1.00 0.00 N ATOM 785 CA GLU A 55 5.702 4.015 -5.047 1.00 0.00 C ATOM 786 C GLU A 55 6.523 3.594 -3.830 1.00 0.00 C ATOM 787 O GLU A 55 6.989 2.458 -3.748 1.00 0.00 O ATOM 788 CB GLU A 55 6.478 5.025 -5.896 1.00 0.00 C ATOM 789 CG GLU A 55 7.806 4.514 -6.423 1.00 0.00 C ATOM 790 CD GLU A 55 8.496 5.525 -7.316 1.00 0.00 C ATOM 791 OE1 GLU A 55 9.236 6.384 -6.792 1.00 0.00 O ATOM 792 OE2 GLU A 55 8.299 5.469 -8.548 1.00 0.00 O ATOM 0 H GLU A 55 4.279 5.545 -4.984 1.00 0.00 H new ATOM 0 HA GLU A 55 5.506 3.123 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.857 5.324 -6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.658 5.920 -5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.457 4.269 -5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.643 3.592 -6.980 1.00 0.00 H new ATOM 797 N ALA A 56 6.668 4.505 -2.872 1.00 0.00 N ATOM 798 CA ALA A 56 7.418 4.225 -1.651 1.00 0.00 C ATOM 799 C ALA A 56 6.789 3.073 -0.878 1.00 0.00 C ATOM 800 O ALA A 56 7.490 2.233 -0.311 1.00 0.00 O ATOM 801 CB ALA A 56 7.487 5.466 -0.774 1.00 0.00 C ATOM 0 H ALA A 56 6.275 5.445 -2.918 1.00 0.00 H new ATOM 0 HA ALA A 56 8.430 3.936 -1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.049 5.240 0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.983 6.269 -1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.478 5.779 -0.506 1.00 0.00 H new ATOM 807 N ILE A 57 5.463 3.030 -0.881 1.00 0.00 N ATOM 808 CA ILE A 57 4.723 1.996 -0.167 1.00 0.00 C ATOM 809 C ILE A 57 4.862 0.654 -0.880 1.00 0.00 C ATOM 810 O ILE A 57 4.965 -0.395 -0.246 1.00 0.00 O ATOM 811 CB ILE A 57 3.229 2.370 -0.042 1.00 0.00 C ATOM 812 CG1 ILE A 57 3.086 3.745 0.616 1.00 0.00 C ATOM 813 CG2 ILE A 57 2.476 1.316 0.758 1.00 0.00 C ATOM 814 CD1 ILE A 57 1.665 4.263 0.657 1.00 0.00 C ATOM 0 H ILE A 57 4.875 3.703 -1.373 1.00 0.00 H new ATOM 0 HA ILE A 57 5.144 1.914 0.835 1.00 0.00 H new ATOM 0 HB ILE A 57 2.796 2.411 -1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.472 3.691 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.707 4.461 0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.426 1.598 0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.557 0.352 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.905 1.242 1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.648 5.241 1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.281 4.351 -0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.041 3.570 1.222 1.00 0.00 H new ATOM 825 N LEU A 58 4.877 0.698 -2.204 1.00 0.00 N ATOM 826 CA LEU A 58 5.066 -0.495 -3.015 1.00 0.00 C ATOM 827 C LEU A 58 6.473 -1.049 -2.781 1.00 0.00 C ATOM 828 O LEU A 58 6.663 -2.257 -2.651 1.00 0.00 O ATOM 829 CB LEU A 58 4.834 -0.154 -4.499 1.00 0.00 C ATOM 830 CG LEU A 58 4.536 -1.333 -5.441 1.00 0.00 C ATOM 831 CD1 LEU A 58 5.792 -2.129 -5.751 1.00 0.00 C ATOM 832 CD2 LEU A 58 3.467 -2.237 -4.845 1.00 0.00 C ATOM 0 H LEU A 58 4.759 1.556 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 58 4.345 -1.261 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.003 0.549 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.718 0.364 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 58 4.163 -0.921 -6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.544 -2.954 -6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.524 -1.480 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.210 -2.525 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.270 -3.065 -5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.813 -2.628 -3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.551 -1.666 -4.693 1.00 0.00 H new ATOM 843 N LEU A 59 7.446 -0.148 -2.688 1.00 0.00 N ATOM 844 CA LEU A 59 8.839 -0.530 -2.464 1.00 0.00 C ATOM 845 C LEU A 59 9.022 -1.247 -1.129 1.00 0.00 C ATOM 846 O LEU A 59 9.760 -2.231 -1.042 1.00 0.00 O ATOM 847 CB LEU A 59 9.748 0.701 -2.522 1.00 0.00 C ATOM 848 CG LEU A 59 9.828 1.393 -3.882 1.00 0.00 C ATOM 849 CD1 LEU A 59 10.772 2.582 -3.818 1.00 0.00 C ATOM 850 CD2 LEU A 59 10.277 0.409 -4.949 1.00 0.00 C ATOM 0 H LEU A 59 7.295 0.858 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 59 9.117 -1.222 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.399 1.424 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.754 0.403 -2.225 1.00 0.00 H new ATOM 0 HG LEU A 59 8.835 1.758 -4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.817 3.063 -4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.409 3.295 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.768 2.241 -3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.329 0.916 -5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.261 0.017 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.563 -0.413 -5.010 1.00 0.00 H new ATOM 861 N VAL A 60 8.360 -0.763 -0.086 1.00 0.00 N ATOM 862 CA VAL A 60 8.474 -1.395 1.222 1.00 0.00 C ATOM 863 C VAL A 60 7.656 -2.685 1.258 1.00 0.00 C ATOM 864 O VAL A 60 8.019 -3.642 1.940 1.00 0.00 O ATOM 865 CB VAL A 60 8.062 -0.443 2.374 1.00 0.00 C ATOM 866 CG1 VAL A 60 6.610 -0.019 2.257 1.00 0.00 C ATOM 867 CG2 VAL A 60 8.331 -1.079 3.730 1.00 0.00 C ATOM 0 H VAL A 60 7.748 0.052 -0.118 1.00 0.00 H new ATOM 0 HA VAL A 60 9.525 -1.638 1.379 1.00 0.00 H new ATOM 0 HB VAL A 60 8.675 0.454 2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.358 0.648 3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.458 0.501 1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.970 -0.900 2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.033 -0.390 4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.759 -2.002 3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.394 -1.301 3.823 1.00 0.00 H new ATOM 877 N TRP A 61 6.572 -2.715 0.486 1.00 0.00 N ATOM 878 CA TRP A 61 5.780 -3.927 0.330 1.00 0.00 C ATOM 879 C TRP A 61 6.656 -5.019 -0.277 1.00 0.00 C ATOM 880 O TRP A 61 6.670 -6.149 0.200 1.00 0.00 O ATOM 881 CB TRP A 61 4.565 -3.655 -0.565 1.00 0.00 C ATOM 882 CG TRP A 61 3.516 -4.733 -0.545 1.00 0.00 C ATOM 883 CD1 TRP A 61 3.588 -5.959 0.060 1.00 0.00 C ATOM 884 CD2 TRP A 61 2.226 -4.672 -1.163 1.00 0.00 C ATOM 885 NE1 TRP A 61 2.425 -6.658 -0.152 1.00 0.00 N ATOM 886 CE2 TRP A 61 1.575 -5.890 -0.896 1.00 0.00 C ATOM 887 CE3 TRP A 61 1.560 -3.704 -1.919 1.00 0.00 C ATOM 888 CZ2 TRP A 61 0.289 -6.164 -1.355 1.00 0.00 C ATOM 889 CZ3 TRP A 61 0.283 -3.978 -2.372 1.00 0.00 C ATOM 890 CH2 TRP A 61 -0.340 -5.199 -2.088 1.00 0.00 C ATOM 0 H TRP A 61 6.224 -1.913 -0.040 1.00 0.00 H new ATOM 0 HA TRP A 61 5.417 -4.255 1.304 1.00 0.00 H new ATOM 0 HB2 TRP A 61 4.107 -2.715 -0.257 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.909 -3.521 -1.591 1.00 0.00 H new ATOM 0 HD1 TRP A 61 4.435 -6.323 0.622 1.00 0.00 H new ATOM 0 HE1 TRP A 61 2.228 -7.598 0.191 1.00 0.00 H new ATOM 0 HE3 TRP A 61 2.034 -2.760 -2.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -0.193 -7.106 -1.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.243 -3.237 -2.955 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.339 -5.381 -2.456 1.00 0.00 H new ATOM 900 N LEU A 62 7.403 -4.656 -1.318 1.00 0.00 N ATOM 901 CA LEU A 62 8.341 -5.573 -1.964 1.00 0.00 C ATOM 902 C LEU A 62 9.320 -6.158 -0.951 1.00 0.00 C ATOM 903 O LEU A 62 9.484 -7.372 -0.865 1.00 0.00 O ATOM 904 CB LEU A 62 9.127 -4.851 -3.062 1.00 0.00 C ATOM 905 CG LEU A 62 8.300 -4.352 -4.248 1.00 0.00 C ATOM 906 CD1 LEU A 62 9.162 -3.518 -5.182 1.00 0.00 C ATOM 907 CD2 LEU A 62 7.694 -5.520 -5.005 1.00 0.00 C ATOM 0 H LEU A 62 7.376 -3.726 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 62 7.759 -6.383 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.640 -3.999 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.896 -5.526 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 62 7.493 -3.729 -3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.559 -3.171 -6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.560 -2.659 -4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.987 -4.125 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.109 -5.145 -5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.490 -6.165 -5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.047 -6.089 -4.338 1.00 0.00 H new ATOM 918 N ASP A 63 9.943 -5.283 -0.175 1.00 0.00 N ATOM 919 CA ASP A 63 10.984 -5.687 0.768 1.00 0.00 C ATOM 920 C ASP A 63 10.429 -6.593 1.870 1.00 0.00 C ATOM 921 O ASP A 63 11.133 -7.466 2.381 1.00 0.00 O ATOM 922 CB ASP A 63 11.641 -4.446 1.375 1.00 0.00 C ATOM 923 CG ASP A 63 12.826 -4.773 2.263 1.00 0.00 C ATOM 924 OD1 ASP A 63 13.772 -5.439 1.788 1.00 0.00 O ATOM 925 OD2 ASP A 63 12.841 -4.323 3.423 1.00 0.00 O ATOM 0 H ASP A 63 9.746 -4.282 -0.178 1.00 0.00 H new ATOM 0 HA ASP A 63 11.732 -6.262 0.222 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.968 -3.786 0.572 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.900 -3.898 1.956 1.00 0.00 H new ATOM 929 N GLU A 64 9.166 -6.397 2.227 1.00 0.00 N ATOM 930 CA GLU A 64 8.525 -7.222 3.250 1.00 0.00 C ATOM 931 C GLU A 64 7.986 -8.527 2.659 1.00 0.00 C ATOM 932 O GLU A 64 8.010 -9.569 3.311 1.00 0.00 O ATOM 933 CB GLU A 64 7.380 -6.457 3.922 1.00 0.00 C ATOM 934 CG GLU A 64 7.826 -5.239 4.714 1.00 0.00 C ATOM 935 CD GLU A 64 8.759 -5.589 5.855 1.00 0.00 C ATOM 936 OE1 GLU A 64 8.304 -6.228 6.827 1.00 0.00 O ATOM 937 OE2 GLU A 64 9.950 -5.217 5.791 1.00 0.00 O ATOM 0 H GLU A 64 8.565 -5.677 1.826 1.00 0.00 H new ATOM 0 HA GLU A 64 9.284 -7.464 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.672 -6.140 3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.847 -7.135 4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.325 -4.539 4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.949 -4.729 5.112 1.00 0.00 H new ATOM 942 N ALA A 65 7.506 -8.463 1.423 1.00 0.00 N ATOM 943 CA ALA A 65 6.847 -9.606 0.800 1.00 0.00 C ATOM 944 C ALA A 65 7.838 -10.602 0.212 1.00 0.00 C ATOM 945 O ALA A 65 7.714 -11.804 0.435 1.00 0.00 O ATOM 946 CB ALA A 65 5.876 -9.139 -0.276 1.00 0.00 C ATOM 0 H ALA A 65 7.560 -7.633 0.832 1.00 0.00 H new ATOM 0 HA ALA A 65 6.297 -10.122 1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.393 -10.004 -0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.119 -8.495 0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.420 -8.584 -1.040 1.00 0.00 H new ATOM 952 N GLU A 66 8.812 -10.104 -0.538 1.00 0.00 N ATOM 953 CA GLU A 66 9.760 -10.967 -1.234 1.00 0.00 C ATOM 954 C GLU A 66 10.724 -11.628 -0.259 1.00 0.00 C ATOM 955 O GLU A 66 11.636 -10.938 0.239 1.00 0.00 O ATOM 956 CB GLU A 66 10.532 -10.166 -2.282 1.00 0.00 C ATOM 957 CG GLU A 66 9.662 -9.657 -3.420 1.00 0.00 C ATOM 958 CD GLU A 66 9.103 -10.778 -4.273 1.00 0.00 C ATOM 959 OE1 GLU A 66 9.820 -11.260 -5.176 1.00 0.00 O ATOM 960 OE2 GLU A 66 7.938 -11.178 -4.061 1.00 0.00 O ATOM 961 OXT GLU A 66 10.575 -12.841 -0.002 1.00 0.00 O ATOM 0 H GLU A 66 8.967 -9.106 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 66 9.195 -11.754 -1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.014 -9.317 -1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.325 -10.791 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.839 -9.073 -3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.248 -8.985 -4.048 1.00 0.00 H new TER 966 GLU A 66