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 HD1:sc= 0.482 K(o=0.92,f=-6.1!) USER MOD Set 1.2: A 49 SER OG : rot 50:sc= 0.441 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.186 (180deg=-0.626) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.29 (180deg=1.19) USER MOD Single : A 4 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.11) 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 66:sc= 0.195 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 0.94 (180deg=0.738) USER MOD Single : A 26 THR OG1 : rot -41:sc= 0.176 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -138:sc= -2.18 (180deg=-3.16!) USER MOD Single : A 34 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.64) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 50 ASN : amide:sc=-0.00921 K(o=-0.0092,f=-1.1) USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= 0.874 (180deg=0.832) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.051 9.677 12.961 1.00 0.00 N ATOM 2 CA MET A 1 -6.673 9.566 12.440 1.00 0.00 C ATOM 3 C MET A 1 -6.245 8.113 12.362 1.00 0.00 C ATOM 4 O MET A 1 -6.210 7.409 13.370 1.00 0.00 O ATOM 5 CB MET A 1 -5.692 10.336 13.324 1.00 0.00 C ATOM 6 CG MET A 1 -4.259 10.282 12.815 1.00 0.00 C ATOM 7 SD MET A 1 -3.092 11.121 13.906 1.00 0.00 S ATOM 8 CE MET A 1 -3.774 12.778 13.933 1.00 0.00 C ATOM 0 H1 MET A 1 -8.187 10.617 13.385 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.728 9.547 12.182 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.209 8.945 13.683 1.00 0.00 H new ATOM 0 HA MET A 1 -6.663 9.997 11.439 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.010 11.377 13.387 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.728 9.930 14.335 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.958 9.240 12.702 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.213 10.736 11.825 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.011 13.480 14.270 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.103 13.053 12.931 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.624 12.811 14.615 1.00 0.00 H new ATOM 18 N GLY A 2 -5.927 7.673 11.160 1.00 0.00 N ATOM 19 CA GLY A 2 -5.398 6.344 10.975 1.00 0.00 C ATOM 20 C GLY A 2 -4.039 6.392 10.321 1.00 0.00 C ATOM 21 O GLY A 2 -3.230 7.268 10.632 1.00 0.00 O ATOM 0 H GLY A 2 -6.027 8.217 10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.325 5.840 11.939 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.082 5.758 10.360 1.00 0.00 H new ATOM 25 N LEU A 3 -3.789 5.466 9.413 1.00 0.00 N ATOM 26 CA LEU A 3 -2.547 5.455 8.660 1.00 0.00 C ATOM 27 C LEU A 3 -2.439 6.700 7.787 1.00 0.00 C ATOM 28 O LEU A 3 -3.356 7.016 7.026 1.00 0.00 O ATOM 29 CB LEU A 3 -2.461 4.202 7.784 1.00 0.00 C ATOM 30 CG LEU A 3 -2.449 2.872 8.540 1.00 0.00 C ATOM 31 CD1 LEU A 3 -2.426 1.705 7.565 1.00 0.00 C ATOM 32 CD2 LEU A 3 -1.256 2.807 9.482 1.00 0.00 C ATOM 0 H LEU A 3 -4.432 4.709 9.178 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.721 5.448 9.371 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.306 4.202 7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.557 4.264 7.178 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.360 2.804 9.134 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.418 0.767 8.120 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.312 1.743 6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.532 1.767 6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.262 1.855 10.012 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.334 2.897 8.908 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.316 3.623 10.202 1.00 0.00 H new ATOM 43 N LYS A 4 -1.336 7.416 7.932 1.00 0.00 N ATOM 44 CA LYS A 4 -1.018 8.532 7.056 1.00 0.00 C ATOM 45 C LYS A 4 -0.288 7.999 5.835 1.00 0.00 C ATOM 46 O LYS A 4 0.291 6.916 5.886 1.00 0.00 O ATOM 47 CB LYS A 4 -0.117 9.539 7.781 1.00 0.00 C ATOM 48 CG LYS A 4 -0.832 10.418 8.794 1.00 0.00 C ATOM 49 CD LYS A 4 -1.577 11.547 8.107 1.00 0.00 C ATOM 50 CE LYS A 4 -2.113 12.563 9.102 1.00 0.00 C ATOM 51 NZ LYS A 4 -2.777 13.702 8.414 1.00 0.00 N ATOM 0 H LYS A 4 -0.639 7.242 8.656 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.940 9.033 6.761 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.677 8.994 8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.361 10.178 7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.532 9.816 9.373 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.109 10.830 9.497 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.911 12.046 7.403 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.404 11.136 7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.823 12.078 9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.295 12.936 9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.071 14.409 9.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.112 14.137 7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.613 13.357 7.900 1.00 0.00 H new ATOM 61 N TRP A 5 -0.295 8.758 4.748 1.00 0.00 N ATOM 62 CA TRP A 5 0.460 8.379 3.560 1.00 0.00 C ATOM 63 C TRP A 5 1.952 8.454 3.853 1.00 0.00 C ATOM 64 O TRP A 5 2.769 7.832 3.176 1.00 0.00 O ATOM 65 CB TRP A 5 0.114 9.284 2.378 1.00 0.00 C ATOM 66 CG TRP A 5 -1.299 9.134 1.901 1.00 0.00 C ATOM 67 CD1 TRP A 5 -2.314 10.032 2.054 1.00 0.00 C ATOM 68 CD2 TRP A 5 -1.856 8.016 1.197 1.00 0.00 C ATOM 69 NE1 TRP A 5 -3.463 9.547 1.482 1.00 0.00 N ATOM 70 CE2 TRP A 5 -3.210 8.310 0.950 1.00 0.00 C ATOM 71 CE3 TRP A 5 -1.342 6.795 0.748 1.00 0.00 C ATOM 72 CZ2 TRP A 5 -4.054 7.431 0.275 1.00 0.00 C ATOM 73 CZ3 TRP A 5 -2.181 5.925 0.080 1.00 0.00 C ATOM 74 CH2 TRP A 5 -3.523 6.246 -0.152 1.00 0.00 C ATOM 0 H TRP A 5 -0.811 9.634 4.663 1.00 0.00 H new ATOM 0 HA TRP A 5 0.193 7.356 3.294 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.284 10.322 2.664 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.792 9.066 1.553 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.226 10.986 2.553 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -4.361 10.030 1.457 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.308 6.537 0.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -5.090 7.677 0.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.794 4.979 -0.270 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -4.152 5.544 -0.679 1.00 0.00 H new ATOM 84 N THR A 6 2.287 9.228 4.878 1.00 0.00 N ATOM 85 CA THR A 6 3.655 9.344 5.347 1.00 0.00 C ATOM 86 C THR A 6 4.073 8.071 6.081 1.00 0.00 C ATOM 87 O THR A 6 5.260 7.769 6.205 1.00 0.00 O ATOM 88 CB THR A 6 3.800 10.553 6.285 1.00 0.00 C ATOM 89 OG1 THR A 6 3.018 11.647 5.781 1.00 0.00 O ATOM 90 CG2 THR A 6 5.252 10.984 6.396 1.00 0.00 C ATOM 0 H THR A 6 1.617 9.790 5.404 1.00 0.00 H new ATOM 0 HA THR A 6 4.303 9.487 4.482 1.00 0.00 H new ATOM 0 HB THR A 6 3.446 10.264 7.275 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.109 12.417 6.380 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.327 11.841 7.065 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.847 10.161 6.792 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.626 11.260 5.410 1.00 0.00 H new ATOM 98 N ASP A 7 3.082 7.313 6.545 1.00 0.00 N ATOM 99 CA ASP A 7 3.333 6.040 7.212 1.00 0.00 C ATOM 100 C ASP A 7 3.444 4.931 6.170 1.00 0.00 C ATOM 101 O ASP A 7 2.834 3.870 6.306 1.00 0.00 O ATOM 102 CB ASP A 7 2.213 5.698 8.210 1.00 0.00 C ATOM 103 CG ASP A 7 2.081 6.703 9.341 1.00 0.00 C ATOM 104 OD1 ASP A 7 3.089 6.973 10.030 1.00 0.00 O ATOM 105 OD2 ASP A 7 0.962 7.214 9.561 1.00 0.00 O ATOM 0 H ASP A 7 2.095 7.560 6.470 1.00 0.00 H new ATOM 0 HA ASP A 7 4.267 6.126 7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.265 5.639 7.674 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.402 4.711 8.632 1.00 0.00 H new ATOM 109 N SER A 8 4.239 5.188 5.136 1.00 0.00 N ATOM 110 CA SER A 8 4.363 4.283 3.997 1.00 0.00 C ATOM 111 C SER A 8 4.808 2.884 4.425 1.00 0.00 C ATOM 112 O SER A 8 4.442 1.887 3.799 1.00 0.00 O ATOM 113 CB SER A 8 5.344 4.863 2.976 1.00 0.00 C ATOM 114 OG SER A 8 6.649 5.005 3.523 1.00 0.00 O ATOM 0 H SER A 8 4.814 6.027 5.063 1.00 0.00 H new ATOM 0 HA SER A 8 3.378 4.185 3.540 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.385 4.214 2.101 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.984 5.834 2.636 1.00 0.00 H new ATOM 0 HG SER A 8 7.250 5.376 2.844 1.00 0.00 H new ATOM 119 N ARG A 9 5.578 2.813 5.505 1.00 0.00 N ATOM 120 CA ARG A 9 6.072 1.539 6.002 1.00 0.00 C ATOM 121 C ARG A 9 4.916 0.728 6.561 1.00 0.00 C ATOM 122 O ARG A 9 4.716 -0.426 6.188 1.00 0.00 O ATOM 123 CB ARG A 9 7.123 1.763 7.094 1.00 0.00 C ATOM 124 CG ARG A 9 7.952 0.531 7.418 1.00 0.00 C ATOM 125 CD ARG A 9 8.879 0.174 6.267 1.00 0.00 C ATOM 126 NE ARG A 9 9.737 1.301 5.891 1.00 0.00 N ATOM 127 CZ ARG A 9 9.992 1.654 4.632 1.00 0.00 C ATOM 128 NH1 ARG A 9 9.506 0.936 3.631 1.00 0.00 N ATOM 129 NH2 ARG A 9 10.747 2.713 4.373 1.00 0.00 N ATOM 0 H ARG A 9 5.872 3.623 6.051 1.00 0.00 H new ATOM 0 HA ARG A 9 6.534 0.995 5.179 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.791 2.566 6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.622 2.100 8.002 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.539 0.711 8.319 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.291 -0.310 7.631 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.499 -0.677 6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.287 -0.136 5.406 1.00 0.00 H new ATOM 0 HE ARG A 9 10.165 1.848 6.638 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.936 0.112 3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.702 1.207 2.667 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.136 3.262 5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.939 2.979 3.407 1.00 0.00 H new ATOM 140 N GLU A 10 4.137 1.363 7.429 1.00 0.00 N ATOM 141 CA GLU A 10 3.031 0.697 8.103 1.00 0.00 C ATOM 142 C GLU A 10 1.916 0.360 7.118 1.00 0.00 C ATOM 143 O GLU A 10 1.194 -0.620 7.300 1.00 0.00 O ATOM 144 CB GLU A 10 2.490 1.577 9.227 1.00 0.00 C ATOM 145 CG GLU A 10 3.559 2.040 10.202 1.00 0.00 C ATOM 146 CD GLU A 10 4.338 0.890 10.805 1.00 0.00 C ATOM 147 OE1 GLU A 10 3.880 0.325 11.818 1.00 0.00 O ATOM 148 OE2 GLU A 10 5.420 0.556 10.279 1.00 0.00 O ATOM 0 H GLU A 10 4.253 2.344 7.683 1.00 0.00 H new ATOM 0 HA GLU A 10 3.404 -0.234 8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.004 2.450 8.792 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.725 1.025 9.774 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.248 2.710 9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.091 2.615 11.001 1.00 0.00 H new ATOM 153 N ILE A 11 1.775 1.177 6.080 1.00 0.00 N ATOM 154 CA ILE A 11 0.805 0.900 5.030 1.00 0.00 C ATOM 155 C ILE A 11 1.238 -0.329 4.239 1.00 0.00 C ATOM 156 O ILE A 11 0.428 -1.207 3.937 1.00 0.00 O ATOM 157 CB ILE A 11 0.627 2.093 4.070 1.00 0.00 C ATOM 158 CG1 ILE A 11 0.124 3.323 4.827 1.00 0.00 C ATOM 159 CG2 ILE A 11 -0.336 1.729 2.950 1.00 0.00 C ATOM 160 CD1 ILE A 11 -0.074 4.538 3.946 1.00 0.00 C ATOM 0 H ILE A 11 2.317 2.031 5.944 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.155 0.718 5.514 1.00 0.00 H new ATOM 0 HB ILE A 11 1.597 2.332 3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.821 3.079 5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.834 3.569 5.616 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.453 2.580 2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.059 0.879 2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.305 1.466 3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.432 5.371 4.551 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.874 4.808 3.480 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.807 4.311 3.172 1.00 0.00 H new ATOM 171 N GLY A 12 2.529 -0.390 3.924 1.00 0.00 N ATOM 172 CA GLY A 12 3.084 -1.555 3.264 1.00 0.00 C ATOM 173 C GLY A 12 2.896 -2.805 4.093 1.00 0.00 C ATOM 174 O GLY A 12 2.567 -3.866 3.564 1.00 0.00 O ATOM 0 H GLY A 12 3.202 0.352 4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.606 -1.686 2.293 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.146 -1.397 3.078 1.00 0.00 H new ATOM 178 N GLU A 13 3.096 -2.668 5.400 1.00 0.00 N ATOM 179 CA GLU A 13 2.870 -3.761 6.339 1.00 0.00 C ATOM 180 C GLU A 13 1.427 -4.248 6.255 1.00 0.00 C ATOM 181 O GLU A 13 1.174 -5.448 6.209 1.00 0.00 O ATOM 182 CB GLU A 13 3.176 -3.304 7.765 1.00 0.00 C ATOM 183 CG GLU A 13 4.624 -2.903 7.979 1.00 0.00 C ATOM 184 CD GLU A 13 5.380 -3.887 8.840 1.00 0.00 C ATOM 185 OE1 GLU A 13 5.730 -4.980 8.347 1.00 0.00 O ATOM 186 OE2 GLU A 13 5.630 -3.567 10.020 1.00 0.00 O ATOM 0 H GLU A 13 3.417 -1.803 5.835 1.00 0.00 H new ATOM 0 HA GLU A 13 3.536 -4.583 6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.534 -2.459 8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.925 -4.108 8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.120 -2.817 7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.659 -1.918 8.444 1.00 0.00 H new ATOM 191 N ALA A 14 0.490 -3.304 6.215 1.00 0.00 N ATOM 192 CA ALA A 14 -0.930 -3.630 6.129 1.00 0.00 C ATOM 193 C ALA A 14 -1.237 -4.443 4.879 1.00 0.00 C ATOM 194 O ALA A 14 -1.905 -5.473 4.943 1.00 0.00 O ATOM 195 CB ALA A 14 -1.769 -2.362 6.140 1.00 0.00 C ATOM 0 H ALA A 14 0.690 -2.304 6.241 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.183 -4.234 7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.825 -2.624 6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.587 -1.813 7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.497 -1.738 5.288 1.00 0.00 H new ATOM 201 N LEU A 15 -0.728 -3.982 3.745 1.00 0.00 N ATOM 202 CA LEU A 15 -0.985 -4.639 2.471 1.00 0.00 C ATOM 203 C LEU A 15 -0.285 -5.994 2.407 1.00 0.00 C ATOM 204 O LEU A 15 -0.836 -6.962 1.889 1.00 0.00 O ATOM 205 CB LEU A 15 -0.532 -3.753 1.308 1.00 0.00 C ATOM 206 CG LEU A 15 -1.167 -2.357 1.257 1.00 0.00 C ATOM 207 CD1 LEU A 15 -0.823 -1.660 -0.043 1.00 0.00 C ATOM 208 CD2 LEU A 15 -2.674 -2.437 1.443 1.00 0.00 C ATOM 0 H LEU A 15 -0.134 -3.155 3.681 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.059 -4.803 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.551 -3.639 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.753 -4.268 0.373 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.757 -1.770 2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.283 -0.672 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.259 -1.558 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.197 -2.248 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.099 -1.434 1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.107 -3.047 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.898 -2.887 2.410 1.00 0.00 H new ATOM 219 N TYR A 16 0.921 -6.054 2.957 1.00 0.00 N ATOM 220 CA TYR A 16 1.705 -7.287 2.990 1.00 0.00 C ATOM 221 C TYR A 16 1.051 -8.325 3.899 1.00 0.00 C ATOM 222 O TYR A 16 1.087 -9.523 3.621 1.00 0.00 O ATOM 223 CB TYR A 16 3.125 -6.972 3.469 1.00 0.00 C ATOM 224 CG TYR A 16 4.022 -8.179 3.640 1.00 0.00 C ATOM 225 CD1 TYR A 16 4.411 -8.944 2.549 1.00 0.00 C ATOM 226 CD2 TYR A 16 4.496 -8.540 4.896 1.00 0.00 C ATOM 227 CE1 TYR A 16 5.244 -10.034 2.706 1.00 0.00 C ATOM 228 CE2 TYR A 16 5.328 -9.631 5.059 1.00 0.00 C ATOM 229 CZ TYR A 16 5.700 -10.373 3.960 1.00 0.00 C ATOM 230 OH TYR A 16 6.537 -11.452 4.118 1.00 0.00 O ATOM 0 H TYR A 16 1.383 -5.255 3.391 1.00 0.00 H new ATOM 0 HA TYR A 16 1.748 -7.706 1.985 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.590 -6.290 2.757 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.063 -6.446 4.421 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.057 -8.683 1.563 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.209 -7.958 5.759 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.537 -10.619 1.847 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.684 -9.900 6.042 1.00 0.00 H new ATOM 0 HH TYR A 16 7.395 -11.267 3.681 1.00 0.00 H new ATOM 239 N ASP A 17 0.460 -7.853 4.988 1.00 0.00 N ATOM 240 CA ASP A 17 -0.228 -8.724 5.937 1.00 0.00 C ATOM 241 C ASP A 17 -1.557 -9.207 5.366 1.00 0.00 C ATOM 242 O ASP A 17 -1.901 -10.387 5.474 1.00 0.00 O ATOM 243 CB ASP A 17 -0.461 -7.978 7.256 1.00 0.00 C ATOM 244 CG ASP A 17 -1.332 -8.748 8.230 1.00 0.00 C ATOM 245 OD1 ASP A 17 -0.792 -9.557 9.014 1.00 0.00 O ATOM 246 OD2 ASP A 17 -2.562 -8.528 8.237 1.00 0.00 O ATOM 0 H ASP A 17 0.442 -6.865 5.239 1.00 0.00 H new ATOM 0 HA ASP A 17 0.400 -9.595 6.123 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.501 -7.771 7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.926 -7.015 7.045 1.00 0.00 H new ATOM 250 N ALA A 18 -2.296 -8.292 4.749 1.00 0.00 N ATOM 251 CA ALA A 18 -3.610 -8.608 4.203 1.00 0.00 C ATOM 252 C ALA A 18 -3.505 -9.474 2.951 1.00 0.00 C ATOM 253 O ALA A 18 -4.362 -10.321 2.704 1.00 0.00 O ATOM 254 CB ALA A 18 -4.378 -7.330 3.892 1.00 0.00 C ATOM 0 H ALA A 18 -2.006 -7.323 4.614 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.152 -9.176 4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.357 -7.584 3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.504 -6.750 4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.823 -6.741 3.162 1.00 0.00 H new ATOM 260 N TYR A 19 -2.463 -9.251 2.157 1.00 0.00 N ATOM 261 CA TYR A 19 -2.265 -10.006 0.923 1.00 0.00 C ATOM 262 C TYR A 19 -0.845 -10.572 0.859 1.00 0.00 C ATOM 263 O TYR A 19 0.006 -10.058 0.130 1.00 0.00 O ATOM 264 CB TYR A 19 -2.528 -9.113 -0.292 1.00 0.00 C ATOM 265 CG TYR A 19 -3.904 -8.487 -0.309 1.00 0.00 C ATOM 266 CD1 TYR A 19 -5.027 -9.240 -0.614 1.00 0.00 C ATOM 267 CD2 TYR A 19 -4.076 -7.141 -0.012 1.00 0.00 C ATOM 268 CE1 TYR A 19 -6.285 -8.672 -0.628 1.00 0.00 C ATOM 269 CE2 TYR A 19 -5.331 -6.563 -0.022 1.00 0.00 C ATOM 270 CZ TYR A 19 -6.433 -7.335 -0.330 1.00 0.00 C ATOM 271 OH TYR A 19 -7.689 -6.768 -0.340 1.00 0.00 O ATOM 0 H TYR A 19 -1.742 -8.554 2.345 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.971 -10.837 0.912 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.780 -8.321 -0.317 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.397 -9.703 -1.199 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.916 -10.289 -0.845 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.215 -6.536 0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.149 -9.273 -0.871 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.449 -5.515 0.210 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.621 -5.818 -0.107 1.00 0.00 H new ATOM 280 N PRO A 20 -0.570 -11.646 1.615 1.00 0.00 N ATOM 281 CA PRO A 20 0.772 -12.227 1.697 1.00 0.00 C ATOM 282 C PRO A 20 1.132 -13.079 0.480 1.00 0.00 C ATOM 283 O PRO A 20 2.307 -13.214 0.131 1.00 0.00 O ATOM 284 CB PRO A 20 0.699 -13.092 2.954 1.00 0.00 C ATOM 285 CG PRO A 20 -0.735 -13.494 3.060 1.00 0.00 C ATOM 286 CD PRO A 20 -1.540 -12.370 2.462 1.00 0.00 C ATOM 0 HA PRO A 20 1.543 -11.457 1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.349 -13.963 2.872 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.020 -12.537 3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.917 -14.427 2.527 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.015 -13.661 4.100 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.378 -12.747 1.876 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.957 -11.723 3.234 1.00 0.00 H new ATOM 291 N ASP A 21 0.121 -13.658 -0.157 1.00 0.00 N ATOM 292 CA ASP A 21 0.337 -14.534 -1.309 1.00 0.00 C ATOM 293 C ASP A 21 0.301 -13.741 -2.610 1.00 0.00 C ATOM 294 O ASP A 21 0.504 -14.291 -3.694 1.00 0.00 O ATOM 295 CB ASP A 21 -0.724 -15.639 -1.353 1.00 0.00 C ATOM 296 CG ASP A 21 -2.090 -15.123 -1.756 1.00 0.00 C ATOM 297 OD1 ASP A 21 -2.770 -14.502 -0.910 1.00 0.00 O ATOM 298 OD2 ASP A 21 -2.493 -15.330 -2.923 1.00 0.00 O ATOM 0 H ASP A 21 -0.858 -13.538 0.103 1.00 0.00 H new ATOM 0 HA ASP A 21 1.322 -14.988 -1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.410 -16.411 -2.056 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.793 -16.110 -0.372 1.00 0.00 H new ATOM 302 N LEU A 22 0.049 -12.448 -2.497 1.00 0.00 N ATOM 303 CA LEU A 22 -0.110 -11.601 -3.665 1.00 0.00 C ATOM 304 C LEU A 22 1.243 -11.034 -4.080 1.00 0.00 C ATOM 305 O LEU A 22 1.909 -10.361 -3.296 1.00 0.00 O ATOM 306 CB LEU A 22 -1.101 -10.472 -3.354 1.00 0.00 C ATOM 307 CG LEU A 22 -1.972 -10.003 -4.526 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.022 -9.021 -4.042 1.00 0.00 C ATOM 309 CD2 LEU A 22 -1.133 -9.369 -5.621 1.00 0.00 C ATOM 0 H LEU A 22 -0.050 -11.962 -1.606 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.505 -12.191 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.757 -10.802 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.540 -9.616 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.467 -10.880 -4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.633 -8.697 -4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.656 -9.504 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.532 -8.156 -3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.781 -9.048 -6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.601 -8.507 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.413 -10.097 -5.995 1.00 0.00 H new ATOM 320 N ASP A 23 1.648 -11.341 -5.309 1.00 0.00 N ATOM 321 CA ASP A 23 2.914 -10.857 -5.850 1.00 0.00 C ATOM 322 C ASP A 23 2.919 -9.332 -5.897 1.00 0.00 C ATOM 323 O ASP A 23 2.083 -8.723 -6.562 1.00 0.00 O ATOM 324 CB ASP A 23 3.141 -11.419 -7.254 1.00 0.00 C ATOM 325 CG ASP A 23 4.547 -11.163 -7.763 1.00 0.00 C ATOM 326 OD1 ASP A 23 4.858 -10.012 -8.135 1.00 0.00 O ATOM 327 OD2 ASP A 23 5.351 -12.116 -7.793 1.00 0.00 O ATOM 0 H ASP A 23 1.114 -11.926 -5.952 1.00 0.00 H new ATOM 0 HA ASP A 23 3.720 -11.195 -5.199 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.951 -12.492 -7.247 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.423 -10.972 -7.941 1.00 0.00 H new ATOM 331 N PRO A 24 3.870 -8.698 -5.203 1.00 0.00 N ATOM 332 CA PRO A 24 3.919 -7.238 -5.078 1.00 0.00 C ATOM 333 C PRO A 24 4.255 -6.532 -6.393 1.00 0.00 C ATOM 334 O PRO A 24 4.049 -5.329 -6.527 1.00 0.00 O ATOM 335 CB PRO A 24 5.031 -7.007 -4.052 1.00 0.00 C ATOM 336 CG PRO A 24 5.895 -8.215 -4.154 1.00 0.00 C ATOM 337 CD PRO A 24 4.971 -9.354 -4.478 1.00 0.00 C ATOM 0 HA PRO A 24 2.951 -6.831 -4.787 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.592 -6.099 -4.273 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.625 -6.894 -3.047 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.650 -8.091 -4.930 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.426 -8.396 -3.219 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.463 -10.110 -5.091 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.618 -9.855 -3.577 1.00 0.00 H new ATOM 342 N LYS A 25 4.756 -7.281 -7.367 1.00 0.00 N ATOM 343 CA LYS A 25 5.174 -6.690 -8.631 1.00 0.00 C ATOM 344 C LYS A 25 3.990 -6.531 -9.575 1.00 0.00 C ATOM 345 O LYS A 25 4.005 -5.683 -10.466 1.00 0.00 O ATOM 346 CB LYS A 25 6.256 -7.542 -9.295 1.00 0.00 C ATOM 347 CG LYS A 25 7.488 -7.746 -8.431 1.00 0.00 C ATOM 348 CD LYS A 25 8.554 -8.556 -9.151 1.00 0.00 C ATOM 349 CE LYS A 25 8.076 -9.961 -9.495 1.00 0.00 C ATOM 350 NZ LYS A 25 7.730 -10.749 -8.283 1.00 0.00 N ATOM 0 H LYS A 25 4.882 -8.291 -7.307 1.00 0.00 H new ATOM 0 HA LYS A 25 5.584 -5.703 -8.417 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.835 -8.515 -9.548 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.554 -7.070 -10.231 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.898 -6.777 -8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.206 -8.255 -7.509 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.845 -8.039 -10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.444 -8.620 -8.525 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.204 -9.897 -10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.854 -10.481 -10.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.346 -11.673 -8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.584 -10.891 -7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.018 -10.235 -7.726 1.00 0.00 H new ATOM 360 N THR A 26 2.957 -7.343 -9.372 1.00 0.00 N ATOM 361 CA THR A 26 1.775 -7.277 -10.218 1.00 0.00 C ATOM 362 C THR A 26 0.781 -6.255 -9.664 1.00 0.00 C ATOM 363 O THR A 26 -0.258 -5.977 -10.269 1.00 0.00 O ATOM 364 CB THR A 26 1.100 -8.664 -10.365 1.00 0.00 C ATOM 365 OG1 THR A 26 0.141 -8.640 -11.432 1.00 0.00 O ATOM 366 CG2 THR A 26 0.407 -9.090 -9.082 1.00 0.00 C ATOM 0 H THR A 26 2.916 -8.048 -8.636 1.00 0.00 H new ATOM 0 HA THR A 26 2.094 -6.959 -11.210 1.00 0.00 H new ATOM 0 HB THR A 26 1.886 -9.385 -10.589 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.359 -7.797 -11.404 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.054 -10.067 -9.225 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.138 -9.148 -8.276 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.361 -8.361 -8.824 1.00 0.00 H new ATOM 374 N VAL A 27 1.110 -5.688 -8.510 1.00 0.00 N ATOM 375 CA VAL A 27 0.293 -4.640 -7.927 1.00 0.00 C ATOM 376 C VAL A 27 0.779 -3.287 -8.416 1.00 0.00 C ATOM 377 O VAL A 27 1.906 -2.884 -8.133 1.00 0.00 O ATOM 378 CB VAL A 27 0.328 -4.656 -6.384 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.653 -3.640 -5.821 1.00 0.00 C ATOM 380 CG2 VAL A 27 0.026 -6.047 -5.851 1.00 0.00 C ATOM 0 H VAL A 27 1.934 -5.937 -7.964 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.735 -4.820 -8.240 1.00 0.00 H new ATOM 0 HB VAL A 27 1.332 -4.382 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.616 -3.664 -4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.386 -2.643 -6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.661 -3.884 -6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.056 -6.034 -4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.965 -6.356 -6.183 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.770 -6.750 -6.226 1.00 0.00 H new ATOM 390 N ARG A 28 -0.055 -2.596 -9.170 1.00 0.00 N ATOM 391 CA ARG A 28 0.316 -1.295 -9.687 1.00 0.00 C ATOM 392 C ARG A 28 -0.289 -0.197 -8.821 1.00 0.00 C ATOM 393 O ARG A 28 -1.056 -0.481 -7.899 1.00 0.00 O ATOM 394 CB ARG A 28 -0.118 -1.151 -11.145 1.00 0.00 C ATOM 395 CG ARG A 28 0.304 -2.325 -12.010 1.00 0.00 C ATOM 396 CD ARG A 28 0.093 -2.040 -13.485 1.00 0.00 C ATOM 397 NE ARG A 28 0.293 -3.233 -14.305 1.00 0.00 N ATOM 398 CZ ARG A 28 1.435 -3.544 -14.919 1.00 0.00 C ATOM 399 NH1 ARG A 28 2.513 -2.783 -14.767 1.00 0.00 N ATOM 400 NH2 ARG A 28 1.499 -4.628 -15.678 1.00 0.00 N ATOM 0 H ARG A 28 -0.988 -2.912 -9.436 1.00 0.00 H new ATOM 0 HA ARG A 28 1.401 -1.198 -9.654 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.202 -1.048 -11.187 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.306 -0.234 -11.555 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.355 -2.550 -11.830 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.265 -3.210 -11.725 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.916 -1.658 -13.640 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.782 -1.259 -13.806 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.495 -3.871 -14.415 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.472 -1.952 -14.176 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.382 -3.029 -15.241 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.677 -5.221 -15.791 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.371 -4.870 -16.150 1.00 0.00 H new ATOM 411 N PHE A 29 0.049 1.046 -9.126 1.00 0.00 N ATOM 412 CA PHE A 29 -0.292 2.179 -8.269 1.00 0.00 C ATOM 413 C PHE A 29 -1.796 2.298 -8.028 1.00 0.00 C ATOM 414 O PHE A 29 -2.237 2.408 -6.882 1.00 0.00 O ATOM 415 CB PHE A 29 0.259 3.471 -8.873 1.00 0.00 C ATOM 416 CG PHE A 29 1.751 3.441 -9.040 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.585 3.577 -7.942 1.00 0.00 C ATOM 418 CD2 PHE A 29 2.321 3.265 -10.291 1.00 0.00 C ATOM 419 CE1 PHE A 29 3.957 3.536 -8.088 1.00 0.00 C ATOM 420 CE2 PHE A 29 3.694 3.226 -10.442 1.00 0.00 C ATOM 421 CZ PHE A 29 4.513 3.361 -9.339 1.00 0.00 C ATOM 0 H PHE A 29 0.564 1.301 -9.969 1.00 0.00 H new ATOM 0 HA PHE A 29 0.169 2.005 -7.297 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.208 3.642 -9.843 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.014 4.311 -8.235 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.157 3.717 -6.960 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.685 3.157 -11.157 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.595 3.641 -7.223 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.126 3.090 -11.422 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.586 3.330 -9.455 1.00 0.00 H new ATOM 430 N THR A 30 -2.583 2.247 -9.095 1.00 0.00 N ATOM 431 CA THR A 30 -4.025 2.412 -8.980 1.00 0.00 C ATOM 432 C THR A 30 -4.657 1.219 -8.262 1.00 0.00 C ATOM 433 O THR A 30 -5.538 1.384 -7.417 1.00 0.00 O ATOM 434 CB THR A 30 -4.669 2.589 -10.368 1.00 0.00 C ATOM 435 OG1 THR A 30 -3.913 3.537 -11.133 1.00 0.00 O ATOM 436 CG2 THR A 30 -6.107 3.069 -10.245 1.00 0.00 C ATOM 0 H THR A 30 -2.248 2.093 -10.046 1.00 0.00 H new ATOM 0 HA THR A 30 -4.208 3.311 -8.391 1.00 0.00 H new ATOM 0 HB THR A 30 -4.669 1.622 -10.871 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.324 3.647 -12.016 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.538 3.186 -11.239 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.687 2.339 -9.681 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.128 4.027 -9.726 1.00 0.00 H new ATOM 444 N ASP A 31 -4.177 0.019 -8.587 1.00 0.00 N ATOM 445 CA ASP A 31 -4.680 -1.210 -7.971 1.00 0.00 C ATOM 446 C ASP A 31 -4.451 -1.177 -6.467 1.00 0.00 C ATOM 447 O ASP A 31 -5.354 -1.452 -5.677 1.00 0.00 O ATOM 448 CB ASP A 31 -3.977 -2.436 -8.562 1.00 0.00 C ATOM 449 CG ASP A 31 -4.114 -2.524 -10.066 1.00 0.00 C ATOM 450 OD1 ASP A 31 -5.130 -3.067 -10.551 1.00 0.00 O ATOM 451 OD2 ASP A 31 -3.204 -2.054 -10.777 1.00 0.00 O ATOM 0 H ASP A 31 -3.439 -0.129 -9.275 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.749 -1.278 -8.175 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.920 -2.404 -8.300 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.390 -3.338 -8.111 1.00 0.00 H new ATOM 455 N MET A 32 -3.232 -0.821 -6.088 1.00 0.00 N ATOM 456 CA MET A 32 -2.852 -0.717 -4.687 1.00 0.00 C ATOM 457 C MET A 32 -3.670 0.369 -3.996 1.00 0.00 C ATOM 458 O MET A 32 -4.084 0.215 -2.846 1.00 0.00 O ATOM 459 CB MET A 32 -1.365 -0.384 -4.585 1.00 0.00 C ATOM 460 CG MET A 32 -0.756 -0.717 -3.238 1.00 0.00 C ATOM 461 SD MET A 32 0.854 0.052 -2.998 1.00 0.00 S ATOM 462 CE MET A 32 0.377 1.775 -2.936 1.00 0.00 C ATOM 0 H MET A 32 -2.481 -0.597 -6.741 1.00 0.00 H new ATOM 0 HA MET A 32 -3.048 -1.670 -4.196 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.826 -0.927 -5.361 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.225 0.679 -4.784 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.432 -0.391 -2.447 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.655 -1.798 -3.146 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.090 2.371 -3.506 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.618 1.893 -3.364 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.369 2.113 -1.900 1.00 0.00 H new ATOM 470 N HIS A 33 -3.916 1.459 -4.721 1.00 0.00 N ATOM 471 CA HIS A 33 -4.657 2.596 -4.185 1.00 0.00 C ATOM 472 C HIS A 33 -6.080 2.193 -3.815 1.00 0.00 C ATOM 473 O HIS A 33 -6.645 2.706 -2.854 1.00 0.00 O ATOM 474 CB HIS A 33 -4.700 3.740 -5.206 1.00 0.00 C ATOM 475 CG HIS A 33 -5.218 5.035 -4.645 1.00 0.00 C ATOM 476 ND1 HIS A 33 -6.556 5.375 -4.609 1.00 0.00 N ATOM 477 CD2 HIS A 33 -4.559 6.070 -4.081 1.00 0.00 C ATOM 478 CE1 HIS A 33 -6.690 6.564 -4.044 1.00 0.00 C ATOM 479 NE2 HIS A 33 -5.492 7.005 -3.715 1.00 0.00 N ATOM 0 H HIS A 33 -3.610 1.577 -5.687 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.141 2.935 -3.286 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.696 3.901 -5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.328 3.442 -6.046 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.491 6.147 -3.943 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.622 7.084 -3.880 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -5.292 7.897 -3.262 1.00 0.00 H new ATOM 487 N GLN A 34 -6.644 1.268 -4.578 1.00 0.00 N ATOM 488 CA GLN A 34 -8.017 0.835 -4.370 1.00 0.00 C ATOM 489 C GLN A 34 -8.159 0.071 -3.065 1.00 0.00 C ATOM 490 O GLN A 34 -9.098 0.294 -2.302 1.00 0.00 O ATOM 491 CB GLN A 34 -8.482 -0.034 -5.539 1.00 0.00 C ATOM 492 CG GLN A 34 -8.689 0.747 -6.825 1.00 0.00 C ATOM 493 CD GLN A 34 -9.650 1.906 -6.648 1.00 0.00 C ATOM 494 OE1 GLN A 34 -9.243 3.026 -6.332 1.00 0.00 O ATOM 495 NE2 GLN A 34 -10.932 1.647 -6.845 1.00 0.00 N ATOM 0 H GLN A 34 -6.169 0.801 -5.350 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.645 1.724 -4.314 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.746 -0.819 -5.714 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.416 -0.527 -5.267 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.729 1.125 -7.176 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.069 0.077 -7.596 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.228 0.706 -7.106 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.625 2.388 -6.736 1.00 0.00 H new ATOM 502 N TRP A 35 -7.216 -0.816 -2.803 1.00 0.00 N ATOM 503 CA TRP A 35 -7.262 -1.622 -1.597 1.00 0.00 C ATOM 504 C TRP A 35 -6.974 -0.773 -0.367 1.00 0.00 C ATOM 505 O TRP A 35 -7.673 -0.869 0.641 1.00 0.00 O ATOM 506 CB TRP A 35 -6.264 -2.775 -1.688 1.00 0.00 C ATOM 507 CG TRP A 35 -6.488 -3.654 -2.878 1.00 0.00 C ATOM 508 CD1 TRP A 35 -7.690 -3.995 -3.431 1.00 0.00 C ATOM 509 CD2 TRP A 35 -5.487 -4.315 -3.660 1.00 0.00 C ATOM 510 NE1 TRP A 35 -7.494 -4.817 -4.511 1.00 0.00 N ATOM 511 CE2 TRP A 35 -6.154 -5.030 -4.672 1.00 0.00 C ATOM 512 CE3 TRP A 35 -4.092 -4.369 -3.606 1.00 0.00 C ATOM 513 CZ2 TRP A 35 -5.475 -5.788 -5.620 1.00 0.00 C ATOM 514 CZ3 TRP A 35 -3.421 -5.124 -4.549 1.00 0.00 C ATOM 515 CH2 TRP A 35 -4.113 -5.823 -5.543 1.00 0.00 C ATOM 0 H TRP A 35 -6.413 -0.996 -3.406 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.267 -2.034 -1.502 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -5.253 -2.370 -1.728 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.330 -3.377 -0.782 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.653 -3.665 -3.070 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.230 -5.207 -5.100 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.549 -3.832 -2.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.006 -6.329 -6.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.343 -5.175 -4.518 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -3.558 -6.403 -6.265 1.00 0.00 H new ATOM 525 N ILE A 36 -5.957 0.077 -0.464 1.00 0.00 N ATOM 526 CA ILE A 36 -5.532 0.892 0.663 1.00 0.00 C ATOM 527 C ILE A 36 -6.570 1.978 0.984 1.00 0.00 C ATOM 528 O ILE A 36 -6.736 2.362 2.140 1.00 0.00 O ATOM 529 CB ILE A 36 -4.121 1.498 0.407 1.00 0.00 C ATOM 530 CG1 ILE A 36 -3.481 2.015 1.704 1.00 0.00 C ATOM 531 CG2 ILE A 36 -4.159 2.601 -0.643 1.00 0.00 C ATOM 532 CD1 ILE A 36 -3.922 3.400 2.139 1.00 0.00 C ATOM 0 H ILE A 36 -5.412 0.218 -1.315 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.458 0.249 1.540 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.501 0.689 0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.706 1.312 2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.398 2.019 1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.154 2.997 -0.791 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.532 2.195 -1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.818 3.401 -0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.412 3.670 3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.671 4.122 1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.999 3.404 2.304 1.00 0.00 H new ATOM 543 N CYS A 37 -7.300 2.434 -0.026 1.00 0.00 N ATOM 544 CA CYS A 37 -8.288 3.490 0.169 1.00 0.00 C ATOM 545 C CYS A 37 -9.445 2.999 1.036 1.00 0.00 C ATOM 546 O CYS A 37 -10.023 3.766 1.809 1.00 0.00 O ATOM 547 CB CYS A 37 -8.816 3.986 -1.180 1.00 0.00 C ATOM 548 SG CYS A 37 -9.835 5.474 -1.081 1.00 0.00 S ATOM 0 H CYS A 37 -7.228 2.092 -0.984 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.799 4.318 0.682 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.969 4.183 -1.837 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.400 3.190 -1.643 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.229 5.811 -2.273 1.00 0.00 H new ATOM 553 N ASP A 38 -9.766 1.717 0.923 1.00 0.00 N ATOM 554 CA ASP A 38 -10.886 1.146 1.664 1.00 0.00 C ATOM 555 C ASP A 38 -10.421 0.467 2.945 1.00 0.00 C ATOM 556 O ASP A 38 -11.151 -0.325 3.538 1.00 0.00 O ATOM 557 CB ASP A 38 -11.656 0.143 0.802 1.00 0.00 C ATOM 558 CG ASP A 38 -12.493 0.814 -0.268 1.00 0.00 C ATOM 559 OD1 ASP A 38 -13.607 1.284 0.049 1.00 0.00 O ATOM 560 OD2 ASP A 38 -12.048 0.873 -1.431 1.00 0.00 O ATOM 0 H ASP A 38 -9.270 1.054 0.328 1.00 0.00 H new ATOM 0 HA ASP A 38 -11.547 1.970 1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.951 -0.541 0.330 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.304 -0.457 1.441 1.00 0.00 H new ATOM 564 N LEU A 39 -9.203 0.768 3.370 1.00 0.00 N ATOM 565 CA LEU A 39 -8.692 0.228 4.622 1.00 0.00 C ATOM 566 C LEU A 39 -9.303 0.972 5.800 1.00 0.00 C ATOM 567 O LEU A 39 -9.384 2.199 5.797 1.00 0.00 O ATOM 568 CB LEU A 39 -7.165 0.336 4.693 1.00 0.00 C ATOM 569 CG LEU A 39 -6.389 -0.480 3.660 1.00 0.00 C ATOM 570 CD1 LEU A 39 -4.897 -0.403 3.940 1.00 0.00 C ATOM 571 CD2 LEU A 39 -6.853 -1.927 3.653 1.00 0.00 C ATOM 0 H LEU A 39 -8.555 1.378 2.872 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.968 -0.826 4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.889 1.384 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.844 0.026 5.688 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.583 -0.057 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.357 -0.989 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.571 0.636 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.692 -0.801 4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.286 -2.487 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.693 -2.365 4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.914 -1.968 3.406 1.00 0.00 H new ATOM 582 N GLU A 40 -9.728 0.218 6.808 1.00 0.00 N ATOM 583 CA GLU A 40 -10.255 0.801 8.032 1.00 0.00 C ATOM 584 C GLU A 40 -9.106 1.385 8.842 1.00 0.00 C ATOM 585 O GLU A 40 -9.272 2.344 9.594 1.00 0.00 O ATOM 586 CB GLU A 40 -10.997 -0.257 8.853 1.00 0.00 C ATOM 587 CG GLU A 40 -11.544 0.258 10.176 1.00 0.00 C ATOM 588 CD GLU A 40 -12.636 1.292 10.000 1.00 0.00 C ATOM 589 OE1 GLU A 40 -13.814 0.894 9.906 1.00 0.00 O ATOM 590 OE2 GLU A 40 -12.325 2.505 9.965 1.00 0.00 O ATOM 0 H GLU A 40 -9.717 -0.802 6.799 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.961 1.592 7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.822 -0.650 8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.321 -1.089 9.050 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.934 -0.580 10.753 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.729 0.692 10.756 1.00 0.00 H new ATOM 595 N ASP A 41 -7.929 0.801 8.660 1.00 0.00 N ATOM 596 CA ASP A 41 -6.726 1.281 9.321 1.00 0.00 C ATOM 597 C ASP A 41 -6.275 2.574 8.667 1.00 0.00 C ATOM 598 O ASP A 41 -5.520 3.350 9.248 1.00 0.00 O ATOM 599 CB ASP A 41 -5.609 0.235 9.251 1.00 0.00 C ATOM 600 CG ASP A 41 -5.976 -1.055 9.953 1.00 0.00 C ATOM 601 OD1 ASP A 41 -6.630 -1.915 9.323 1.00 0.00 O ATOM 602 OD2 ASP A 41 -5.621 -1.218 11.138 1.00 0.00 O ATOM 0 H ASP A 41 -7.783 -0.009 8.057 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.951 1.463 10.372 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.379 0.024 8.207 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.704 0.644 9.700 1.00 0.00 H new ATOM 606 N PHE A 42 -6.754 2.801 7.453 1.00 0.00 N ATOM 607 CA PHE A 42 -6.501 4.045 6.758 1.00 0.00 C ATOM 608 C PHE A 42 -7.596 5.047 7.080 1.00 0.00 C ATOM 609 O PHE A 42 -8.783 4.761 6.918 1.00 0.00 O ATOM 610 CB PHE A 42 -6.412 3.827 5.244 1.00 0.00 C ATOM 611 CG PHE A 42 -6.324 5.108 4.461 1.00 0.00 C ATOM 612 CD1 PHE A 42 -5.185 5.893 4.519 1.00 0.00 C ATOM 613 CD2 PHE A 42 -7.384 5.527 3.673 1.00 0.00 C ATOM 614 CE1 PHE A 42 -5.105 7.075 3.809 1.00 0.00 C ATOM 615 CE2 PHE A 42 -7.310 6.707 2.959 1.00 0.00 C ATOM 616 CZ PHE A 42 -6.169 7.482 3.028 1.00 0.00 C ATOM 0 H PHE A 42 -7.322 2.134 6.931 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.542 4.437 7.097 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.538 3.214 5.023 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.286 3.267 4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.350 5.577 5.126 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.278 4.924 3.616 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.212 7.680 3.864 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.143 7.023 2.348 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.109 8.406 2.472 1.00 0.00 H new ATOM 625 N ASP A 43 -7.193 6.214 7.540 1.00 0.00 N ATOM 626 CA ASP A 43 -8.134 7.264 7.894 1.00 0.00 C ATOM 627 C ASP A 43 -7.462 8.617 7.737 1.00 0.00 C ATOM 628 O ASP A 43 -6.953 9.192 8.703 1.00 0.00 O ATOM 629 CB ASP A 43 -8.641 7.070 9.326 1.00 0.00 C ATOM 630 CG ASP A 43 -9.636 8.134 9.755 1.00 0.00 C ATOM 631 OD1 ASP A 43 -10.598 8.399 9.004 1.00 0.00 O ATOM 632 OD2 ASP A 43 -9.472 8.687 10.864 1.00 0.00 O ATOM 0 H ASP A 43 -6.214 6.463 7.679 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.995 7.217 7.227 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.109 6.089 9.410 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.792 7.078 10.010 1.00 0.00 H new ATOM 636 N ASP A 44 -7.433 9.095 6.499 1.00 0.00 N ATOM 637 CA ASP A 44 -6.799 10.365 6.171 1.00 0.00 C ATOM 638 C ASP A 44 -7.340 10.875 4.831 1.00 0.00 C ATOM 639 O ASP A 44 -8.471 10.558 4.466 1.00 0.00 O ATOM 640 CB ASP A 44 -5.272 10.204 6.119 1.00 0.00 C ATOM 641 CG ASP A 44 -4.556 11.534 6.207 1.00 0.00 C ATOM 642 OD1 ASP A 44 -4.619 12.179 7.273 1.00 0.00 O ATOM 643 OD2 ASP A 44 -3.938 11.944 5.207 1.00 0.00 O ATOM 0 H ASP A 44 -7.846 8.616 5.699 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.032 11.095 6.946 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.947 9.563 6.939 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.992 9.703 5.192 1.00 0.00 H new ATOM 647 N ASP A 45 -6.540 11.647 4.101 1.00 0.00 N ATOM 648 CA ASP A 45 -6.968 12.240 2.838 1.00 0.00 C ATOM 649 C ASP A 45 -6.589 11.353 1.659 1.00 0.00 C ATOM 650 O ASP A 45 -5.435 11.329 1.234 1.00 0.00 O ATOM 651 CB ASP A 45 -6.341 13.624 2.652 1.00 0.00 C ATOM 652 CG ASP A 45 -6.853 14.644 3.646 1.00 0.00 C ATOM 653 OD1 ASP A 45 -7.953 15.185 3.431 1.00 0.00 O ATOM 654 OD2 ASP A 45 -6.145 14.925 4.635 1.00 0.00 O ATOM 0 H ASP A 45 -5.583 11.878 4.366 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.053 12.336 2.872 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.258 13.542 2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.545 13.976 1.641 1.00 0.00 H new ATOM 658 N PRO A 46 -7.561 10.630 1.094 1.00 0.00 N ATOM 659 CA PRO A 46 -7.327 9.726 -0.035 1.00 0.00 C ATOM 660 C PRO A 46 -7.235 10.470 -1.365 1.00 0.00 C ATOM 661 O PRO A 46 -7.000 9.866 -2.411 1.00 0.00 O ATOM 662 CB PRO A 46 -8.556 8.821 -0.009 1.00 0.00 C ATOM 663 CG PRO A 46 -9.640 9.659 0.577 1.00 0.00 C ATOM 664 CD PRO A 46 -8.972 10.633 1.517 1.00 0.00 C ATOM 0 HA PRO A 46 -6.381 9.191 0.052 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.818 8.482 -1.011 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.377 7.930 0.593 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.186 10.187 -0.204 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -10.363 9.041 1.109 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.410 11.628 1.437 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.077 10.321 2.556 1.00 0.00 H new ATOM 669 N GLN A 47 -7.405 11.786 -1.309 1.00 0.00 N ATOM 670 CA GLN A 47 -7.412 12.614 -2.507 1.00 0.00 C ATOM 671 C GLN A 47 -5.996 13.026 -2.900 1.00 0.00 C ATOM 672 O GLN A 47 -5.780 13.589 -3.974 1.00 0.00 O ATOM 673 CB GLN A 47 -8.275 13.853 -2.283 1.00 0.00 C ATOM 674 CG GLN A 47 -9.695 13.535 -1.871 1.00 0.00 C ATOM 675 CD GLN A 47 -10.577 14.763 -1.794 1.00 0.00 C ATOM 676 OE1 GLN A 47 -10.111 15.868 -1.508 1.00 0.00 O ATOM 677 NE2 GLN A 47 -11.859 14.575 -2.046 1.00 0.00 N ATOM 0 H GLN A 47 -7.540 12.304 -0.441 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.833 12.026 -3.323 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.813 14.473 -1.515 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.295 14.442 -3.200 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.125 12.830 -2.582 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.684 13.041 -0.899 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.202 13.643 -2.279 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.507 15.362 -2.008 1.00 0.00 H new ATOM 684 N ALA A 48 -5.037 12.755 -2.029 1.00 0.00 N ATOM 685 CA ALA A 48 -3.643 13.039 -2.331 1.00 0.00 C ATOM 686 C ALA A 48 -2.986 11.826 -2.972 1.00 0.00 C ATOM 687 O ALA A 48 -3.198 11.559 -4.155 1.00 0.00 O ATOM 688 CB ALA A 48 -2.888 13.452 -1.077 1.00 0.00 C ATOM 0 H ALA A 48 -5.197 12.340 -1.111 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.608 13.870 -3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.848 13.659 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.344 14.348 -0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.930 12.646 -0.345 1.00 0.00 H new ATOM 694 N SER A 49 -2.230 11.076 -2.165 1.00 0.00 N ATOM 695 CA SER A 49 -1.568 9.848 -2.604 1.00 0.00 C ATOM 696 C SER A 49 -0.923 9.992 -3.982 1.00 0.00 C ATOM 697 O SER A 49 -1.310 9.311 -4.934 1.00 0.00 O ATOM 698 CB SER A 49 -2.557 8.678 -2.584 1.00 0.00 C ATOM 699 OG SER A 49 -3.819 9.046 -3.120 1.00 0.00 O ATOM 0 H SER A 49 -2.060 11.306 -1.186 1.00 0.00 H new ATOM 0 HA SER A 49 -0.760 9.645 -1.901 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.147 7.846 -3.157 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.685 8.328 -1.560 1.00 0.00 H new ATOM 0 HG SER A 49 -3.691 9.484 -3.987 1.00 0.00 H new ATOM 704 N ASN A 50 0.049 10.894 -4.083 1.00 0.00 N ATOM 705 CA ASN A 50 0.792 11.082 -5.330 1.00 0.00 C ATOM 706 C ASN A 50 1.514 9.805 -5.744 1.00 0.00 C ATOM 707 O ASN A 50 1.636 8.867 -4.949 1.00 0.00 O ATOM 708 CB ASN A 50 1.818 12.209 -5.202 1.00 0.00 C ATOM 709 CG ASN A 50 1.191 13.583 -5.124 1.00 0.00 C ATOM 710 OD1 ASN A 50 0.100 13.815 -5.647 1.00 0.00 O ATOM 711 ND2 ASN A 50 1.890 14.507 -4.485 1.00 0.00 N ATOM 0 H ASN A 50 0.342 11.505 -3.321 1.00 0.00 H new ATOM 0 HA ASN A 50 0.060 11.346 -6.093 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.422 12.042 -4.310 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.494 12.174 -6.056 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.529 15.458 -4.410 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.789 14.268 -4.067 1.00 0.00 H new ATOM 717 N GLU A 51 2.005 9.781 -6.975 1.00 0.00 N ATOM 718 CA GLU A 51 2.697 8.611 -7.507 1.00 0.00 C ATOM 719 C GLU A 51 3.860 8.209 -6.607 1.00 0.00 C ATOM 720 O GLU A 51 3.981 7.046 -6.219 1.00 0.00 O ATOM 721 CB GLU A 51 3.210 8.876 -8.926 1.00 0.00 C ATOM 722 CG GLU A 51 2.118 9.111 -9.961 1.00 0.00 C ATOM 723 CD GLU A 51 1.441 10.456 -9.808 1.00 0.00 C ATOM 724 OE1 GLU A 51 2.040 11.472 -10.206 1.00 0.00 O ATOM 725 OE2 GLU A 51 0.312 10.508 -9.284 1.00 0.00 O ATOM 0 H GLU A 51 1.937 10.561 -7.628 1.00 0.00 H new ATOM 0 HA GLU A 51 1.978 7.792 -7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.866 9.747 -8.905 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.817 8.028 -9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.549 9.038 -10.959 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.370 8.322 -9.878 1.00 0.00 H new ATOM 730 N LYS A 52 4.697 9.185 -6.255 1.00 0.00 N ATOM 731 CA LYS A 52 5.850 8.940 -5.391 1.00 0.00 C ATOM 732 C LYS A 52 5.430 8.328 -4.056 1.00 0.00 C ATOM 733 O LYS A 52 6.120 7.463 -3.515 1.00 0.00 O ATOM 734 CB LYS A 52 6.612 10.242 -5.136 1.00 0.00 C ATOM 735 CG LYS A 52 7.227 10.873 -6.380 1.00 0.00 C ATOM 736 CD LYS A 52 8.337 10.012 -6.976 1.00 0.00 C ATOM 737 CE LYS A 52 7.798 8.980 -7.955 1.00 0.00 C ATOM 738 NZ LYS A 52 8.862 8.061 -8.440 1.00 0.00 N ATOM 0 H LYS A 52 4.597 10.154 -6.556 1.00 0.00 H new ATOM 0 HA LYS A 52 6.499 8.232 -5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.933 10.961 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.405 10.048 -4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.450 11.029 -7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.628 11.855 -6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.058 10.652 -7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.872 9.505 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.011 8.400 -7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.344 9.489 -8.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.455 7.385 -9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.610 8.612 -8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.267 7.542 -7.634 1.00 0.00 H new ATOM 748 N ILE A 53 4.293 8.780 -3.538 1.00 0.00 N ATOM 749 CA ILE A 53 3.771 8.276 -2.274 1.00 0.00 C ATOM 750 C ILE A 53 3.409 6.800 -2.397 1.00 0.00 C ATOM 751 O ILE A 53 3.830 5.974 -1.585 1.00 0.00 O ATOM 752 CB ILE A 53 2.524 9.070 -1.822 1.00 0.00 C ATOM 753 CG1 ILE A 53 2.865 10.555 -1.630 1.00 0.00 C ATOM 754 CG2 ILE A 53 1.945 8.484 -0.543 1.00 0.00 C ATOM 755 CD1 ILE A 53 3.919 10.812 -0.571 1.00 0.00 C ATOM 0 H ILE A 53 3.714 9.497 -3.976 1.00 0.00 H new ATOM 0 HA ILE A 53 4.554 8.400 -1.526 1.00 0.00 H new ATOM 0 HB ILE A 53 1.770 8.991 -2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.211 10.964 -2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.956 11.095 -1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.068 9.059 -0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.657 7.447 -0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.694 8.526 0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.105 11.883 -0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.569 10.435 0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.843 10.302 -0.846 1.00 0.00 H new ATOM 766 N LEU A 54 2.643 6.474 -3.430 1.00 0.00 N ATOM 767 CA LEU A 54 2.212 5.100 -3.657 1.00 0.00 C ATOM 768 C LEU A 54 3.405 4.210 -3.985 1.00 0.00 C ATOM 769 O LEU A 54 3.436 3.038 -3.616 1.00 0.00 O ATOM 770 CB LEU A 54 1.184 5.043 -4.788 1.00 0.00 C ATOM 771 CG LEU A 54 -0.102 5.833 -4.535 1.00 0.00 C ATOM 772 CD1 LEU A 54 -1.024 5.745 -5.740 1.00 0.00 C ATOM 773 CD2 LEU A 54 -0.807 5.326 -3.283 1.00 0.00 C ATOM 0 H LEU A 54 2.307 7.142 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 54 1.747 4.732 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.649 5.417 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.922 4.000 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 54 0.162 6.879 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.934 6.312 -5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.521 6.158 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.280 4.702 -5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.719 5.901 -3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.059 4.273 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.148 5.441 -2.423 1.00 0.00 H new ATOM 784 N GLU A 55 4.387 4.782 -4.669 1.00 0.00 N ATOM 785 CA GLU A 55 5.602 4.065 -5.024 1.00 0.00 C ATOM 786 C GLU A 55 6.318 3.559 -3.775 1.00 0.00 C ATOM 787 O GLU A 55 6.747 2.410 -3.722 1.00 0.00 O ATOM 788 CB GLU A 55 6.527 4.974 -5.835 1.00 0.00 C ATOM 789 CG GLU A 55 7.804 4.298 -6.304 1.00 0.00 C ATOM 790 CD GLU A 55 8.679 5.229 -7.114 1.00 0.00 C ATOM 791 OE1 GLU A 55 9.320 6.119 -6.518 1.00 0.00 O ATOM 792 OE2 GLU A 55 8.723 5.087 -8.350 1.00 0.00 O ATOM 0 H GLU A 55 4.364 5.750 -4.991 1.00 0.00 H new ATOM 0 HA GLU A 55 5.329 3.202 -5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.984 5.344 -6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.789 5.842 -5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.362 3.939 -5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.551 3.425 -6.905 1.00 0.00 H new ATOM 797 N ALA A 56 6.418 4.415 -2.762 1.00 0.00 N ATOM 798 CA ALA A 56 7.081 4.049 -1.513 1.00 0.00 C ATOM 799 C ALA A 56 6.355 2.897 -0.824 1.00 0.00 C ATOM 800 O ALA A 56 6.980 2.021 -0.223 1.00 0.00 O ATOM 801 CB ALA A 56 7.162 5.256 -0.588 1.00 0.00 C ATOM 0 H ALA A 56 6.049 5.366 -2.781 1.00 0.00 H new ATOM 0 HA ALA A 56 8.092 3.716 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.658 4.971 0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.730 6.049 -1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.156 5.613 -0.367 1.00 0.00 H new ATOM 807 N ILE A 57 5.032 2.901 -0.927 1.00 0.00 N ATOM 808 CA ILE A 57 4.206 1.852 -0.339 1.00 0.00 C ATOM 809 C ILE A 57 4.350 0.552 -1.131 1.00 0.00 C ATOM 810 O ILE A 57 4.285 -0.547 -0.578 1.00 0.00 O ATOM 811 CB ILE A 57 2.723 2.279 -0.307 1.00 0.00 C ATOM 812 CG1 ILE A 57 2.574 3.614 0.428 1.00 0.00 C ATOM 813 CG2 ILE A 57 1.864 1.205 0.352 1.00 0.00 C ATOM 814 CD1 ILE A 57 1.183 4.205 0.351 1.00 0.00 C ATOM 0 H ILE A 57 4.504 3.624 -1.416 1.00 0.00 H new ATOM 0 HA ILE A 57 4.547 1.687 0.683 1.00 0.00 H new ATOM 0 HB ILE A 57 2.377 2.405 -1.333 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.840 3.472 1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.285 4.328 0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.823 1.528 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.949 0.275 -0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.205 1.043 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.158 5.149 0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.919 4.380 -0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.468 3.512 0.794 1.00 0.00 H new ATOM 825 N LEU A 58 4.556 0.690 -2.429 1.00 0.00 N ATOM 826 CA LEU A 58 4.751 -0.456 -3.300 1.00 0.00 C ATOM 827 C LEU A 58 6.143 -1.049 -3.072 1.00 0.00 C ATOM 828 O LEU A 58 6.323 -2.268 -3.098 1.00 0.00 O ATOM 829 CB LEU A 58 4.552 -0.017 -4.761 1.00 0.00 C ATOM 830 CG LEU A 58 4.262 -1.133 -5.775 1.00 0.00 C ATOM 831 CD1 LEU A 58 5.539 -1.836 -6.194 1.00 0.00 C ATOM 832 CD2 LEU A 58 3.269 -2.134 -5.199 1.00 0.00 C ATOM 0 H LEU A 58 4.593 1.591 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 58 4.021 -1.232 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.729 0.697 -4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.448 0.514 -5.084 1.00 0.00 H new ATOM 0 HG LEU A 58 3.822 -0.675 -6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.303 -2.621 -6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.217 -1.116 -6.653 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.016 -2.276 -5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.076 -2.917 -5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.683 -2.578 -4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.336 -1.624 -4.959 1.00 0.00 H new ATOM 843 N LEU A 59 7.116 -0.176 -2.818 1.00 0.00 N ATOM 844 CA LEU A 59 8.496 -0.597 -2.579 1.00 0.00 C ATOM 845 C LEU A 59 8.612 -1.466 -1.332 1.00 0.00 C ATOM 846 O LEU A 59 9.271 -2.507 -1.353 1.00 0.00 O ATOM 847 CB LEU A 59 9.419 0.619 -2.443 1.00 0.00 C ATOM 848 CG LEU A 59 9.585 1.461 -3.707 1.00 0.00 C ATOM 849 CD1 LEU A 59 10.488 2.650 -3.433 1.00 0.00 C ATOM 850 CD2 LEU A 59 10.141 0.616 -4.844 1.00 0.00 C ATOM 0 H LEU A 59 6.973 0.833 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 59 8.804 -1.190 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.034 1.259 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.403 0.273 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 59 8.605 1.833 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.597 3.241 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.049 3.268 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.467 2.296 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.252 1.233 -5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.113 0.214 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.457 -0.206 -5.055 1.00 0.00 H new ATOM 861 N VAL A 60 7.976 -1.041 -0.243 1.00 0.00 N ATOM 862 CA VAL A 60 8.022 -1.805 0.999 1.00 0.00 C ATOM 863 C VAL A 60 7.344 -3.164 0.820 1.00 0.00 C ATOM 864 O VAL A 60 7.826 -4.173 1.334 1.00 0.00 O ATOM 865 CB VAL A 60 7.399 -1.029 2.190 1.00 0.00 C ATOM 866 CG1 VAL A 60 6.000 -0.548 1.871 1.00 0.00 C ATOM 867 CG2 VAL A 60 7.394 -1.881 3.453 1.00 0.00 C ATOM 0 H VAL A 60 7.429 -0.182 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 60 9.073 -1.967 1.240 1.00 0.00 H new ATOM 0 HB VAL A 60 8.022 -0.152 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.596 -0.009 2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.032 0.116 1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.363 -1.404 1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.952 -1.314 4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.809 -2.784 3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.417 -2.155 3.711 1.00 0.00 H new ATOM 877 N TRP A 61 6.255 -3.198 0.057 1.00 0.00 N ATOM 878 CA TRP A 61 5.578 -4.454 -0.240 1.00 0.00 C ATOM 879 C TRP A 61 6.534 -5.377 -0.996 1.00 0.00 C ATOM 880 O TRP A 61 6.645 -6.563 -0.683 1.00 0.00 O ATOM 881 CB TRP A 61 4.309 -4.199 -1.064 1.00 0.00 C ATOM 882 CG TRP A 61 3.344 -5.355 -1.085 1.00 0.00 C ATOM 883 CD1 TRP A 61 3.590 -6.653 -0.727 1.00 0.00 C ATOM 884 CD2 TRP A 61 1.971 -5.310 -1.488 1.00 0.00 C ATOM 885 NE1 TRP A 61 2.457 -7.410 -0.885 1.00 0.00 N ATOM 886 CE2 TRP A 61 1.450 -6.612 -1.350 1.00 0.00 C ATOM 887 CE3 TRP A 61 1.129 -4.296 -1.953 1.00 0.00 C ATOM 888 CZ2 TRP A 61 0.130 -6.923 -1.660 1.00 0.00 C ATOM 889 CZ3 TRP A 61 -0.182 -4.606 -2.260 1.00 0.00 C ATOM 890 CH2 TRP A 61 -0.671 -5.910 -2.111 1.00 0.00 C ATOM 0 H TRP A 61 5.825 -2.374 -0.364 1.00 0.00 H new ATOM 0 HA TRP A 61 5.282 -4.932 0.693 1.00 0.00 H new ATOM 0 HB2 TRP A 61 3.800 -3.322 -0.664 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.596 -3.961 -2.088 1.00 0.00 H new ATOM 0 HD1 TRP A 61 4.539 -7.027 -0.372 1.00 0.00 H new ATOM 0 HE1 TRP A 61 2.379 -8.408 -0.687 1.00 0.00 H new ATOM 0 HE3 TRP A 61 1.497 -3.287 -2.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -0.249 -7.928 -1.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.841 -3.830 -2.621 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.701 -6.120 -2.357 1.00 0.00 H new ATOM 900 N LEU A 62 7.236 -4.811 -1.976 1.00 0.00 N ATOM 901 CA LEU A 62 8.238 -5.552 -2.741 1.00 0.00 C ATOM 902 C LEU A 62 9.281 -6.171 -1.822 1.00 0.00 C ATOM 903 O LEU A 62 9.494 -7.381 -1.835 1.00 0.00 O ATOM 904 CB LEU A 62 8.947 -4.633 -3.740 1.00 0.00 C ATOM 905 CG LEU A 62 8.099 -4.126 -4.903 1.00 0.00 C ATOM 906 CD1 LEU A 62 8.883 -3.109 -5.716 1.00 0.00 C ATOM 907 CD2 LEU A 62 7.661 -5.280 -5.789 1.00 0.00 C ATOM 0 H LEU A 62 7.129 -3.837 -2.260 1.00 0.00 H new ATOM 0 HA LEU A 62 7.714 -6.343 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.336 -3.771 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.805 -5.167 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 62 7.208 -3.645 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.269 -2.753 -6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.157 -2.268 -5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.786 -3.576 -6.109 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.058 -4.898 -6.612 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.540 -5.786 -6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.071 -5.985 -5.203 1.00 0.00 H new ATOM 918 N ASP A 63 9.911 -5.334 -1.010 1.00 0.00 N ATOM 919 CA ASP A 63 11.042 -5.763 -0.194 1.00 0.00 C ATOM 920 C ASP A 63 10.630 -6.804 0.842 1.00 0.00 C ATOM 921 O ASP A 63 11.382 -7.733 1.130 1.00 0.00 O ATOM 922 CB ASP A 63 11.678 -4.563 0.506 1.00 0.00 C ATOM 923 CG ASP A 63 13.070 -4.872 1.016 1.00 0.00 C ATOM 924 OD1 ASP A 63 13.205 -5.363 2.157 1.00 0.00 O ATOM 925 OD2 ASP A 63 14.042 -4.630 0.270 1.00 0.00 O ATOM 0 H ASP A 63 9.659 -4.352 -0.897 1.00 0.00 H new ATOM 0 HA ASP A 63 11.770 -6.222 -0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.725 -3.723 -0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.047 -4.254 1.340 1.00 0.00 H new ATOM 929 N GLU A 64 9.434 -6.650 1.393 1.00 0.00 N ATOM 930 CA GLU A 64 8.948 -7.556 2.426 1.00 0.00 C ATOM 931 C GLU A 64 8.504 -8.897 1.843 1.00 0.00 C ATOM 932 O GLU A 64 8.614 -9.930 2.503 1.00 0.00 O ATOM 933 CB GLU A 64 7.785 -6.917 3.187 1.00 0.00 C ATOM 934 CG GLU A 64 8.193 -5.724 4.035 1.00 0.00 C ATOM 935 CD GLU A 64 9.203 -6.091 5.101 1.00 0.00 C ATOM 936 OE1 GLU A 64 8.792 -6.605 6.160 1.00 0.00 O ATOM 937 OE2 GLU A 64 10.411 -5.869 4.887 1.00 0.00 O ATOM 0 H GLU A 64 8.782 -5.907 1.142 1.00 0.00 H new ATOM 0 HA GLU A 64 9.776 -7.743 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.025 -6.601 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.326 -7.668 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.613 -4.951 3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.308 -5.299 4.508 1.00 0.00 H new ATOM 942 N ALA A 65 7.998 -8.878 0.615 1.00 0.00 N ATOM 943 CA ALA A 65 7.441 -10.082 0.006 1.00 0.00 C ATOM 944 C ALA A 65 8.488 -10.878 -0.766 1.00 0.00 C ATOM 945 O ALA A 65 8.587 -12.093 -0.604 1.00 0.00 O ATOM 946 CB ALA A 65 6.279 -9.723 -0.905 1.00 0.00 C ATOM 0 H ALA A 65 7.962 -8.048 0.024 1.00 0.00 H new ATOM 0 HA ALA A 65 7.084 -10.717 0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.873 -10.631 -1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.502 -9.226 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.627 -9.055 -1.693 1.00 0.00 H new ATOM 952 N GLU A 66 9.261 -10.193 -1.599 1.00 0.00 N ATOM 953 CA GLU A 66 10.222 -10.856 -2.477 1.00 0.00 C ATOM 954 C GLU A 66 11.353 -11.498 -1.674 1.00 0.00 C ATOM 955 O GLU A 66 12.221 -10.757 -1.165 1.00 0.00 O ATOM 956 CB GLU A 66 10.793 -9.859 -3.490 1.00 0.00 C ATOM 957 CG GLU A 66 9.745 -9.242 -4.407 1.00 0.00 C ATOM 958 CD GLU A 66 9.189 -10.224 -5.420 1.00 0.00 C ATOM 959 OE1 GLU A 66 9.769 -10.336 -6.522 1.00 0.00 O ATOM 960 OE2 GLU A 66 8.163 -10.873 -5.136 1.00 0.00 O ATOM 961 OXT GLU A 66 11.370 -12.745 -1.558 1.00 0.00 O ATOM 0 H GLU A 66 9.243 -9.177 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 66 9.697 -11.646 -3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.305 -9.062 -2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.543 -10.364 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.927 -8.851 -3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.185 -8.395 -4.934 1.00 0.00 H new TER 966 GLU A 66