USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 521 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 Single : A 8 THR OG1 : rot -170:sc= -0.305 USER MOD Single : A 10 CYS SG : rot 160:sc= -1.74! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -127:sc= -2.49 (180deg=-7.42!) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= -0.0153 (180deg=-0.27) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 160:sc= -0.84 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= -1.91 USER MOD Single : A 39 SER OG : rot 9:sc= -2.93! USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -151:sc= -0.0969 (180deg=-0.708) USER MOD Single : A 44 LYS NZ :NH3+ -136:sc= -0.402 (180deg=-0.726) USER MOD Single : A 47 SER OG : rot 180:sc= -1.21 USER MOD Single : A 48 LYS NZ :NH3+ 170:sc= -2.72! (180deg=-2.77!) USER MOD Single : A 50 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.29) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.719 K(o=-0.72,f=-6.3!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00692 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 176:sc= -1.02 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -3.272 0.452 10.802 1.00 0.00 N ATOM 53 CA GLY A 6 -3.034 0.672 12.256 1.00 0.00 C ATOM 54 C GLY A 6 -1.631 0.190 12.624 1.00 0.00 C ATOM 55 O GLY A 6 -0.956 0.778 13.445 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.141 1.730 12.496 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.780 0.135 12.842 1.00 0.00 H new ATOM 59 N ARG A 7 -1.184 -0.879 12.023 1.00 0.00 N ATOM 60 CA ARG A 7 0.177 -1.397 12.335 1.00 0.00 C ATOM 61 C ARG A 7 1.205 -0.709 11.433 1.00 0.00 C ATOM 62 O ARG A 7 0.907 -0.316 10.323 1.00 0.00 O ATOM 63 CB ARG A 7 0.217 -2.908 12.093 1.00 0.00 C ATOM 64 CG ARG A 7 -0.717 -3.607 13.082 1.00 0.00 C ATOM 65 CD ARG A 7 -0.646 -5.121 12.870 1.00 0.00 C ATOM 66 NE ARG A 7 -1.231 -5.464 11.543 1.00 0.00 N ATOM 67 CZ ARG A 7 -0.990 -6.629 11.005 1.00 0.00 C ATOM 68 NH1 ARG A 7 -0.235 -7.492 11.630 1.00 0.00 N ATOM 69 NH2 ARG A 7 -1.502 -6.930 9.844 1.00 0.00 N ATOM 0 H ARG A 7 -1.704 -1.416 11.329 1.00 0.00 H new ATOM 0 HA ARG A 7 0.413 -1.190 13.379 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.086 -3.131 11.070 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.235 -3.280 12.213 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.433 -3.359 14.105 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.740 -3.257 12.942 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.389 -5.458 12.921 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.189 -5.636 13.663 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.820 -4.789 11.055 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.166 -7.256 12.538 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.046 -8.402 11.210 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.091 -6.255 9.356 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.313 -7.840 9.424 1.00 0.00 H new ATOM 83 N THR A 8 2.414 -0.562 11.902 1.00 0.00 N ATOM 84 CA THR A 8 3.458 0.106 11.075 1.00 0.00 C ATOM 85 C THR A 8 4.800 -0.597 11.284 1.00 0.00 C ATOM 86 O THR A 8 5.052 -1.179 12.320 1.00 0.00 O ATOM 87 CB THR A 8 3.579 1.574 11.493 1.00 0.00 C ATOM 88 OG1 THR A 8 4.080 1.645 12.821 1.00 0.00 O ATOM 89 CG2 THR A 8 2.204 2.240 11.427 1.00 0.00 C ATOM 0 H THR A 8 2.724 -0.876 12.822 1.00 0.00 H new ATOM 0 HA THR A 8 3.179 0.051 10.023 1.00 0.00 H new ATOM 0 HB THR A 8 4.262 2.090 10.818 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.011 2.566 13.148 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.291 3.285 11.725 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.821 2.184 10.408 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.518 1.727 12.101 1.00 0.00 H new ATOM 97 N ASP A 9 5.665 -0.547 10.308 1.00 0.00 N ATOM 98 CA ASP A 9 6.994 -1.205 10.456 1.00 0.00 C ATOM 99 C ASP A 9 7.907 -0.323 11.311 1.00 0.00 C ATOM 100 O ASP A 9 7.687 0.864 11.451 1.00 0.00 O ATOM 101 CB ASP A 9 7.623 -1.402 9.076 1.00 0.00 C ATOM 102 CG ASP A 9 7.821 -0.040 8.406 1.00 0.00 C ATOM 103 OD1 ASP A 9 7.372 0.944 8.967 1.00 0.00 O ATOM 104 OD2 ASP A 9 8.421 -0.007 7.344 1.00 0.00 O ATOM 0 H ASP A 9 5.509 -0.079 9.415 1.00 0.00 H new ATOM 0 HA ASP A 9 6.867 -2.174 10.939 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.580 -1.915 9.171 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.983 -2.033 8.459 1.00 0.00 H new ATOM 109 N CYS A 10 8.931 -0.894 11.885 1.00 0.00 N ATOM 110 CA CYS A 10 9.869 -0.084 12.712 1.00 0.00 C ATOM 111 C CYS A 10 11.027 0.405 11.841 1.00 0.00 C ATOM 112 O CYS A 10 11.727 -0.377 11.227 1.00 0.00 O ATOM 113 CB CYS A 10 10.417 -0.945 13.853 1.00 0.00 C ATOM 114 SG CYS A 10 10.018 -0.171 15.439 1.00 0.00 S ATOM 0 H CYS A 10 9.158 -1.886 11.817 1.00 0.00 H new ATOM 0 HA CYS A 10 9.339 0.774 13.126 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.987 -1.946 13.806 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.497 -1.057 13.752 1.00 0.00 H new ATOM 0 HG CYS A 10 10.086 -1.060 16.385 1.00 0.00 H new ATOM 120 N PRO A 11 11.223 1.693 11.789 1.00 0.00 N ATOM 121 CA PRO A 11 12.277 2.317 10.939 1.00 0.00 C ATOM 122 C PRO A 11 13.679 2.142 11.531 1.00 0.00 C ATOM 123 O PRO A 11 14.657 2.047 10.817 1.00 0.00 O ATOM 124 CB PRO A 11 11.892 3.798 10.906 1.00 0.00 C ATOM 125 CG PRO A 11 11.132 4.039 12.168 1.00 0.00 C ATOM 126 CD PRO A 11 10.455 2.699 12.540 1.00 0.00 C ATOM 0 HA PRO A 11 12.323 1.858 9.952 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.777 4.433 10.853 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.283 4.026 10.031 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.799 4.370 12.964 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.388 4.823 12.028 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.498 2.514 13.613 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.402 2.691 12.257 1.00 0.00 H new ATOM 134 N ALA A 12 13.783 2.100 12.831 1.00 0.00 N ATOM 135 CA ALA A 12 15.124 1.977 13.468 1.00 0.00 C ATOM 136 C ALA A 12 15.314 0.550 13.987 1.00 0.00 C ATOM 137 O ALA A 12 16.373 -0.031 13.860 1.00 0.00 O ATOM 138 CB ALA A 12 15.227 2.962 14.634 1.00 0.00 C ATOM 0 H ALA A 12 12.997 2.146 13.479 1.00 0.00 H new ATOM 0 HA ALA A 12 15.897 2.202 12.733 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.208 2.872 15.100 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.092 3.979 14.264 1.00 0.00 H new ATOM 0 HB3 ALA A 12 14.454 2.738 15.369 1.00 0.00 H new ATOM 144 N LEU A 13 14.295 -0.019 14.572 1.00 0.00 N ATOM 145 CA LEU A 13 14.423 -1.402 15.111 1.00 0.00 C ATOM 146 C LEU A 13 14.486 -2.399 13.952 1.00 0.00 C ATOM 147 O LEU A 13 13.995 -2.138 12.871 1.00 0.00 O ATOM 148 CB LEU A 13 13.212 -1.720 15.992 1.00 0.00 C ATOM 149 CG LEU A 13 13.582 -1.512 17.462 1.00 0.00 C ATOM 150 CD1 LEU A 13 13.925 -0.041 17.699 1.00 0.00 C ATOM 151 CD2 LEU A 13 12.396 -1.907 18.345 1.00 0.00 C ATOM 0 H LEU A 13 13.380 0.414 14.700 1.00 0.00 H new ATOM 0 HA LEU A 13 15.334 -1.477 15.704 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.374 -1.077 15.722 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.890 -2.749 15.829 1.00 0.00 H new ATOM 0 HG LEU A 13 14.444 -2.130 17.711 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.189 0.107 18.746 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.768 0.242 17.069 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.063 0.578 17.451 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.658 -1.760 19.393 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.534 -1.288 18.095 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.150 -2.955 18.176 1.00 0.00 H new ATOM 163 N PRO A 14 15.088 -3.533 14.181 1.00 0.00 N ATOM 164 CA PRO A 14 15.252 -4.586 13.138 1.00 0.00 C ATOM 165 C PRO A 14 14.017 -4.708 12.240 1.00 0.00 C ATOM 166 O PRO A 14 12.896 -4.710 12.709 1.00 0.00 O ATOM 167 CB PRO A 14 15.456 -5.873 13.942 1.00 0.00 C ATOM 168 CG PRO A 14 16.016 -5.440 15.256 1.00 0.00 C ATOM 169 CD PRO A 14 15.681 -3.933 15.466 1.00 0.00 C ATOM 0 HA PRO A 14 16.078 -4.360 12.464 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.515 -6.406 14.074 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.138 -6.552 13.430 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.593 -6.038 16.063 1.00 0.00 H new ATOM 0 HG3 PRO A 14 17.095 -5.594 15.277 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.985 -3.787 16.292 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.574 -3.351 15.695 1.00 0.00 H new ATOM 177 N PRO A 15 14.229 -4.810 10.957 1.00 0.00 N ATOM 178 CA PRO A 15 13.126 -4.949 9.964 1.00 0.00 C ATOM 179 C PRO A 15 12.131 -6.047 10.352 1.00 0.00 C ATOM 180 O PRO A 15 12.512 -7.151 10.689 1.00 0.00 O ATOM 181 CB PRO A 15 13.849 -5.316 8.667 1.00 0.00 C ATOM 182 CG PRO A 15 15.238 -4.787 8.823 1.00 0.00 C ATOM 183 CD PRO A 15 15.551 -4.805 10.312 1.00 0.00 C ATOM 0 HA PRO A 15 12.532 -4.038 9.889 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.855 -6.395 8.512 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.355 -4.873 7.803 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.950 -5.401 8.271 1.00 0.00 H new ATOM 0 HG3 PRO A 15 15.313 -3.775 8.424 1.00 0.00 H new ATOM 0 HD2 PRO A 15 16.132 -5.686 10.587 1.00 0.00 H new ATOM 0 HD3 PRO A 15 16.135 -3.933 10.607 1.00 0.00 H new ATOM 191 N GLY A 16 10.862 -5.754 10.307 1.00 0.00 N ATOM 192 CA GLY A 16 9.844 -6.784 10.663 1.00 0.00 C ATOM 193 C GLY A 16 9.100 -6.352 11.926 1.00 0.00 C ATOM 194 O GLY A 16 7.928 -6.628 12.093 1.00 0.00 O ATOM 0 H GLY A 16 10.484 -4.845 10.039 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.141 -6.914 9.841 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.327 -7.747 10.825 1.00 0.00 H new ATOM 198 N TRP A 17 9.769 -5.676 12.820 1.00 0.00 N ATOM 199 CA TRP A 17 9.095 -5.216 14.065 1.00 0.00 C ATOM 200 C TRP A 17 7.863 -4.386 13.701 1.00 0.00 C ATOM 201 O TRP A 17 7.917 -3.516 12.855 1.00 0.00 O ATOM 202 CB TRP A 17 10.064 -4.359 14.883 1.00 0.00 C ATOM 203 CG TRP A 17 10.667 -5.189 15.970 1.00 0.00 C ATOM 204 CD1 TRP A 17 11.937 -5.655 15.977 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.052 -5.657 17.205 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.141 -6.379 17.137 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.009 -6.410 17.928 1.00 0.00 C ATOM 208 CE3 TRP A 17 8.771 -5.502 17.764 1.00 0.00 C ATOM 209 CZ2 TRP A 17 10.703 -6.989 19.160 1.00 0.00 C ATOM 210 CZ3 TRP A 17 8.461 -6.085 19.004 1.00 0.00 C ATOM 211 CH2 TRP A 17 9.426 -6.826 19.701 1.00 0.00 C ATOM 0 H TRP A 17 10.754 -5.423 12.741 1.00 0.00 H new ATOM 0 HA TRP A 17 8.789 -6.081 14.654 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.847 -3.960 14.238 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.539 -3.505 15.311 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.672 -5.489 15.203 1.00 0.00 H new ATOM 0 HE1 TRP A 17 13.021 -6.835 17.379 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.021 -4.931 17.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 11.449 -7.560 19.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 7.473 -5.962 19.423 1.00 0.00 H new ATOM 0 HH2 TRP A 17 9.182 -7.270 20.655 1.00 0.00 H new ATOM 222 N LYS A 18 6.751 -4.647 14.333 1.00 0.00 N ATOM 223 CA LYS A 18 5.516 -3.876 14.017 1.00 0.00 C ATOM 224 C LYS A 18 5.006 -3.188 15.284 1.00 0.00 C ATOM 225 O LYS A 18 5.140 -3.701 16.378 1.00 0.00 O ATOM 226 CB LYS A 18 4.442 -4.829 13.487 1.00 0.00 C ATOM 227 CG LYS A 18 4.856 -5.351 12.109 1.00 0.00 C ATOM 228 CD LYS A 18 3.783 -6.302 11.579 1.00 0.00 C ATOM 229 CE LYS A 18 4.189 -6.812 10.195 1.00 0.00 C ATOM 230 NZ LYS A 18 3.143 -7.739 9.679 1.00 0.00 N ATOM 0 H LYS A 18 6.645 -5.361 15.054 1.00 0.00 H new ATOM 0 HA LYS A 18 5.741 -3.124 13.261 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.307 -5.662 14.177 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.484 -4.313 13.419 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.992 -4.518 11.419 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.813 -5.868 12.177 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.655 -7.140 12.264 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.823 -5.788 11.521 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.317 -5.974 9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.149 -7.326 10.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.420 -8.085 8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.042 -8.545 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.236 -7.235 9.609 1.00 0.00 H new ATOM 244 N LYS A 19 4.422 -2.029 15.147 1.00 0.00 N ATOM 245 CA LYS A 19 3.907 -1.308 16.345 1.00 0.00 C ATOM 246 C LYS A 19 2.539 -0.701 16.026 1.00 0.00 C ATOM 247 O LYS A 19 2.284 -0.267 14.920 1.00 0.00 O ATOM 248 CB LYS A 19 4.882 -0.193 16.729 1.00 0.00 C ATOM 249 CG LYS A 19 4.998 0.804 15.575 1.00 0.00 C ATOM 250 CD LYS A 19 6.033 1.875 15.928 1.00 0.00 C ATOM 251 CE LYS A 19 6.181 2.847 14.757 1.00 0.00 C ATOM 252 NZ LYS A 19 7.457 3.605 14.899 1.00 0.00 N ATOM 0 H LYS A 19 4.279 -1.551 14.258 1.00 0.00 H new ATOM 0 HA LYS A 19 3.810 -2.007 17.175 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.534 0.315 17.629 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.861 -0.614 16.959 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.291 0.287 14.662 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.031 1.268 15.382 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.724 2.413 16.824 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.993 1.409 16.151 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.173 2.301 13.814 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.337 3.536 14.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.263 4.625 14.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.891 3.384 15.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.108 3.335 14.134 1.00 0.00 H new ATOM 266 N GLU A 20 1.656 -0.667 16.986 1.00 0.00 N ATOM 267 CA GLU A 20 0.305 -0.093 16.736 1.00 0.00 C ATOM 268 C GLU A 20 -0.001 0.970 17.794 1.00 0.00 C ATOM 269 O GLU A 20 0.550 0.958 18.877 1.00 0.00 O ATOM 270 CB GLU A 20 -0.744 -1.204 16.813 1.00 0.00 C ATOM 271 CG GLU A 20 -2.115 -0.640 16.434 1.00 0.00 C ATOM 272 CD GLU A 20 -3.158 -1.758 16.481 1.00 0.00 C ATOM 273 OE1 GLU A 20 -2.761 -2.910 16.540 1.00 0.00 O ATOM 274 OE2 GLU A 20 -4.336 -1.443 16.457 1.00 0.00 O ATOM 0 H GLU A 20 1.812 -1.012 17.933 1.00 0.00 H new ATOM 0 HA GLU A 20 0.281 0.361 15.746 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.476 -2.019 16.141 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.776 -1.619 17.820 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.393 0.160 17.120 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.078 -0.205 15.435 1.00 0.00 H new ATOM 281 N GLU A 21 -0.874 1.890 17.490 1.00 0.00 N ATOM 282 CA GLU A 21 -1.222 2.945 18.483 1.00 0.00 C ATOM 283 C GLU A 21 -2.741 3.007 18.653 1.00 0.00 C ATOM 284 O GLU A 21 -3.462 3.379 17.748 1.00 0.00 O ATOM 285 CB GLU A 21 -0.708 4.300 17.991 1.00 0.00 C ATOM 286 CG GLU A 21 -0.945 5.359 19.068 1.00 0.00 C ATOM 287 CD GLU A 21 -0.330 6.688 18.623 1.00 0.00 C ATOM 288 OE1 GLU A 21 0.020 6.795 17.460 1.00 0.00 O ATOM 289 OE2 GLU A 21 -0.220 7.574 19.454 1.00 0.00 O ATOM 0 H GLU A 21 -1.362 1.957 16.597 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.759 2.707 19.441 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.355 4.235 17.758 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.219 4.582 17.070 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.014 5.482 19.243 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.502 5.039 20.011 1.00 0.00 H new ATOM 296 N VAL A 22 -3.234 2.646 19.807 1.00 0.00 N ATOM 297 CA VAL A 22 -4.707 2.666 20.026 1.00 0.00 C ATOM 298 C VAL A 22 -5.068 3.831 20.949 1.00 0.00 C ATOM 299 O VAL A 22 -4.466 4.023 21.987 1.00 0.00 O ATOM 300 CB VAL A 22 -5.145 1.350 20.672 1.00 0.00 C ATOM 301 CG1 VAL A 22 -6.666 1.341 20.833 1.00 0.00 C ATOM 302 CG2 VAL A 22 -4.721 0.180 19.781 1.00 0.00 C ATOM 0 H VAL A 22 -2.680 2.338 20.606 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.215 2.788 19.069 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.676 1.252 21.651 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.978 0.403 21.293 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.970 2.175 21.466 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.136 1.439 19.854 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.032 -0.758 20.240 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.191 0.279 18.803 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.637 0.185 19.665 1.00 0.00 H new ATOM 312 N ILE A 23 -6.046 4.612 20.581 1.00 0.00 N ATOM 313 CA ILE A 23 -6.445 5.763 21.440 1.00 0.00 C ATOM 314 C ILE A 23 -7.714 5.404 22.217 1.00 0.00 C ATOM 315 O ILE A 23 -8.694 4.960 21.652 1.00 0.00 O ATOM 316 CB ILE A 23 -6.714 6.986 20.560 1.00 0.00 C ATOM 317 CG1 ILE A 23 -5.456 7.318 19.753 1.00 0.00 C ATOM 318 CG2 ILE A 23 -7.080 8.180 21.445 1.00 0.00 C ATOM 319 CD1 ILE A 23 -5.767 8.445 18.766 1.00 0.00 C ATOM 0 H ILE A 23 -6.586 4.503 19.723 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.642 5.989 22.141 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.538 6.771 19.880 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.650 7.618 20.423 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.112 6.434 19.216 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.272 9.052 20.819 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.974 7.944 22.023 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.255 8.396 22.124 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.872 8.682 18.191 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.560 8.127 18.089 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.091 9.330 19.314 1.00 0.00 H new ATOM 331 N ARG A 24 -7.702 5.593 23.507 1.00 0.00 N ATOM 332 CA ARG A 24 -8.904 5.254 24.321 1.00 0.00 C ATOM 333 C ARG A 24 -10.120 6.000 23.769 1.00 0.00 C ATOM 334 O ARG A 24 -10.255 7.196 23.934 1.00 0.00 O ATOM 335 CB ARG A 24 -8.668 5.667 25.775 1.00 0.00 C ATOM 336 CG ARG A 24 -7.553 4.809 26.374 1.00 0.00 C ATOM 337 CD ARG A 24 -7.997 4.270 27.736 1.00 0.00 C ATOM 338 NE ARG A 24 -6.968 3.326 28.256 1.00 0.00 N ATOM 339 CZ ARG A 24 -7.051 2.883 29.480 1.00 0.00 C ATOM 340 NH1 ARG A 24 -8.039 3.259 30.245 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.146 2.062 29.940 1.00 0.00 N ATOM 0 H ARG A 24 -6.913 5.967 24.033 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.085 4.180 24.274 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.397 6.722 25.825 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.585 5.546 26.352 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.316 3.983 25.704 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.644 5.401 26.484 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.138 5.093 28.436 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.957 3.763 27.643 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.200 3.027 27.656 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.747 3.900 29.886 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.103 2.912 31.202 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.374 1.767 29.342 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.211 1.716 30.897 1.00 0.00 H new ATOM 355 N LYS A 25 -11.009 5.303 23.114 1.00 0.00 N ATOM 356 CA LYS A 25 -12.208 5.975 22.541 1.00 0.00 C ATOM 357 C LYS A 25 -13.360 5.909 23.547 1.00 0.00 C ATOM 358 O LYS A 25 -14.374 6.559 23.387 1.00 0.00 O ATOM 359 CB LYS A 25 -12.620 5.267 21.248 1.00 0.00 C ATOM 360 CG LYS A 25 -12.522 3.753 21.441 1.00 0.00 C ATOM 361 CD LYS A 25 -13.024 3.044 20.182 1.00 0.00 C ATOM 362 CE LYS A 25 -12.935 1.529 20.378 1.00 0.00 C ATOM 363 NZ LYS A 25 -11.503 1.116 20.405 1.00 0.00 N ATOM 0 H LYS A 25 -10.956 4.297 22.952 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.972 7.017 22.326 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.639 5.545 20.978 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.976 5.582 20.427 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.490 3.468 21.645 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.113 3.447 22.304 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.054 3.334 19.975 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.428 3.345 19.320 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.425 1.242 21.308 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.458 1.016 19.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.436 0.088 20.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.987 1.603 19.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.086 1.369 21.324 1.00 0.00 H new ATOM 377 N SER A 26 -13.210 5.129 24.583 1.00 0.00 N ATOM 378 CA SER A 26 -14.304 5.008 25.587 1.00 0.00 C ATOM 379 C SER A 26 -13.996 5.908 26.787 1.00 0.00 C ATOM 380 O SER A 26 -12.910 5.880 27.334 1.00 0.00 O ATOM 381 CB SER A 26 -14.411 3.557 26.054 1.00 0.00 C ATOM 382 OG SER A 26 -15.270 3.488 27.184 1.00 0.00 O ATOM 0 H SER A 26 -12.378 4.571 24.777 1.00 0.00 H new ATOM 0 HA SER A 26 -15.247 5.314 25.134 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.799 2.932 25.250 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.424 3.172 26.309 1.00 0.00 H new ATOM 0 HG SER A 26 -15.341 2.558 27.484 1.00 0.00 H new ATOM 388 N GLY A 27 -14.942 6.706 27.200 1.00 0.00 N ATOM 389 CA GLY A 27 -14.714 7.580 28.387 1.00 0.00 C ATOM 390 C GLY A 27 -14.528 9.026 27.927 1.00 0.00 C ATOM 391 O GLY A 27 -13.938 9.290 26.898 1.00 0.00 O ATOM 0 H GLY A 27 -15.862 6.791 26.768 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.560 7.511 29.071 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.833 7.245 28.935 1.00 0.00 H new ATOM 395 N LEU A 28 -15.027 9.968 28.681 1.00 0.00 N ATOM 396 CA LEU A 28 -14.877 11.397 28.285 1.00 0.00 C ATOM 397 C LEU A 28 -13.404 11.800 28.376 1.00 0.00 C ATOM 398 O LEU A 28 -12.933 12.636 27.631 1.00 0.00 O ATOM 399 CB LEU A 28 -15.706 12.275 29.224 1.00 0.00 C ATOM 400 CG LEU A 28 -15.796 13.691 28.652 1.00 0.00 C ATOM 401 CD1 LEU A 28 -16.945 13.764 27.645 1.00 0.00 C ATOM 402 CD2 LEU A 28 -16.052 14.684 29.789 1.00 0.00 C ATOM 0 H LEU A 28 -15.532 9.810 29.553 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.226 11.529 27.261 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -16.705 11.856 29.344 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.250 12.299 30.214 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.860 13.941 28.153 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -17.008 14.773 27.238 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.765 13.057 26.835 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -17.882 13.514 28.143 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -16.116 15.693 29.383 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -16.988 14.433 30.287 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.234 14.633 30.507 1.00 0.00 H new ATOM 414 N SER A 29 -12.674 11.213 29.284 1.00 0.00 N ATOM 415 CA SER A 29 -11.232 11.564 29.421 1.00 0.00 C ATOM 416 C SER A 29 -10.492 11.194 28.134 1.00 0.00 C ATOM 417 O SER A 29 -9.304 10.942 28.141 1.00 0.00 O ATOM 418 CB SER A 29 -10.630 10.791 30.596 1.00 0.00 C ATOM 419 OG SER A 29 -10.913 9.406 30.441 1.00 0.00 O ATOM 0 H SER A 29 -13.013 10.506 29.936 1.00 0.00 H new ATOM 0 HA SER A 29 -11.134 12.635 29.601 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.553 10.951 30.638 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.044 11.156 31.536 1.00 0.00 H new ATOM 0 HG SER A 29 -10.527 8.907 31.191 1.00 0.00 H new ATOM 425 N ALA A 30 -11.186 11.160 27.030 1.00 0.00 N ATOM 426 CA ALA A 30 -10.529 10.775 25.749 1.00 0.00 C ATOM 427 C ALA A 30 -9.186 11.501 25.626 1.00 0.00 C ATOM 428 O ALA A 30 -9.027 12.612 26.088 1.00 0.00 O ATOM 429 CB ALA A 30 -11.429 11.168 24.575 1.00 0.00 C ATOM 0 H ALA A 30 -12.179 11.382 26.959 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.363 9.698 25.736 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.948 10.886 23.638 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.386 10.653 24.661 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.595 12.245 24.588 1.00 0.00 H new ATOM 435 N GLY A 31 -8.220 10.878 25.008 1.00 0.00 N ATOM 436 CA GLY A 31 -6.885 11.526 24.869 1.00 0.00 C ATOM 437 C GLY A 31 -5.799 10.571 25.365 1.00 0.00 C ATOM 438 O GLY A 31 -4.648 10.676 24.990 1.00 0.00 O ATOM 0 H GLY A 31 -8.297 9.949 24.594 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.704 11.790 23.827 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.858 12.453 25.442 1.00 0.00 H new ATOM 442 N LYS A 32 -6.155 9.637 26.203 1.00 0.00 N ATOM 443 CA LYS A 32 -5.149 8.651 26.691 1.00 0.00 C ATOM 444 C LYS A 32 -4.918 7.585 25.618 1.00 0.00 C ATOM 445 O LYS A 32 -5.848 6.991 25.110 1.00 0.00 O ATOM 446 CB LYS A 32 -5.665 7.987 27.970 1.00 0.00 C ATOM 447 CG LYS A 32 -4.537 7.181 28.617 1.00 0.00 C ATOM 448 CD LYS A 32 -5.005 6.641 29.970 1.00 0.00 C ATOM 449 CE LYS A 32 -3.863 5.872 30.636 1.00 0.00 C ATOM 450 NZ LYS A 32 -4.264 5.484 32.017 1.00 0.00 N ATOM 0 H LYS A 32 -7.098 9.514 26.571 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.210 9.163 26.902 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.030 8.744 28.664 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.507 7.334 27.739 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.245 6.357 27.966 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.656 7.810 28.749 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.326 7.463 30.610 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.867 5.988 29.834 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.620 4.983 30.053 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.965 6.488 30.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.487 4.961 32.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.475 6.339 32.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.110 4.881 31.976 1.00 0.00 H new ATOM 464 N SER A 33 -3.684 7.338 25.269 1.00 0.00 N ATOM 465 CA SER A 33 -3.399 6.352 24.190 1.00 0.00 C ATOM 466 C SER A 33 -2.297 5.397 24.650 1.00 0.00 C ATOM 467 O SER A 33 -1.481 5.730 25.487 1.00 0.00 O ATOM 468 CB SER A 33 -2.940 7.091 22.933 1.00 0.00 C ATOM 469 OG SER A 33 -3.920 8.055 22.571 1.00 0.00 O ATOM 0 H SER A 33 -2.862 7.777 25.685 1.00 0.00 H new ATOM 0 HA SER A 33 -4.303 5.784 23.969 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.982 7.579 23.113 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.789 6.385 22.117 1.00 0.00 H new ATOM 0 HG SER A 33 -3.514 8.732 21.990 1.00 0.00 H new ATOM 475 N ASP A 34 -2.265 4.208 24.110 1.00 0.00 N ATOM 476 CA ASP A 34 -1.204 3.239 24.504 1.00 0.00 C ATOM 477 C ASP A 34 -0.519 2.697 23.248 1.00 0.00 C ATOM 478 O ASP A 34 -1.128 2.563 22.205 1.00 0.00 O ATOM 479 CB ASP A 34 -1.833 2.081 25.282 1.00 0.00 C ATOM 480 CG ASP A 34 -2.141 2.533 26.711 1.00 0.00 C ATOM 481 OD1 ASP A 34 -1.723 3.622 27.069 1.00 0.00 O ATOM 482 OD2 ASP A 34 -2.787 1.782 27.423 1.00 0.00 O ATOM 0 H ASP A 34 -2.928 3.867 23.414 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.468 3.741 25.133 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.747 1.752 24.788 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.154 1.228 25.297 1.00 0.00 H new ATOM 487 N VAL A 35 0.745 2.384 23.338 1.00 0.00 N ATOM 488 CA VAL A 35 1.469 1.862 22.145 1.00 0.00 C ATOM 489 C VAL A 35 1.819 0.389 22.363 1.00 0.00 C ATOM 490 O VAL A 35 2.336 0.010 23.396 1.00 0.00 O ATOM 491 CB VAL A 35 2.755 2.666 21.937 1.00 0.00 C ATOM 492 CG1 VAL A 35 3.490 2.142 20.702 1.00 0.00 C ATOM 493 CG2 VAL A 35 2.405 4.141 21.735 1.00 0.00 C ATOM 0 H VAL A 35 1.307 2.467 24.185 1.00 0.00 H new ATOM 0 HA VAL A 35 0.833 1.957 21.265 1.00 0.00 H new ATOM 0 HB VAL A 35 3.396 2.561 22.812 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.406 2.714 20.554 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.738 1.090 20.845 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.850 2.247 19.826 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.320 4.715 21.587 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.765 4.246 20.859 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.881 4.514 22.615 1.00 0.00 H new ATOM 503 N TYR A 36 1.540 -0.446 21.400 1.00 0.00 N ATOM 504 CA TYR A 36 1.860 -1.893 21.552 1.00 0.00 C ATOM 505 C TYR A 36 2.921 -2.291 20.523 1.00 0.00 C ATOM 506 O TYR A 36 2.981 -1.747 19.439 1.00 0.00 O ATOM 507 CB TYR A 36 0.594 -2.722 21.324 1.00 0.00 C ATOM 508 CG TYR A 36 -0.485 -2.268 22.280 1.00 0.00 C ATOM 509 CD1 TYR A 36 -0.392 -2.585 23.640 1.00 0.00 C ATOM 510 CD2 TYR A 36 -1.576 -1.532 21.805 1.00 0.00 C ATOM 511 CE1 TYR A 36 -1.391 -2.165 24.526 1.00 0.00 C ATOM 512 CE2 TYR A 36 -2.576 -1.112 22.691 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.483 -1.428 24.051 1.00 0.00 C ATOM 514 OH TYR A 36 -3.468 -1.014 24.925 1.00 0.00 O ATOM 0 H TYR A 36 1.104 -0.188 20.514 1.00 0.00 H new ATOM 0 HA TYR A 36 2.240 -2.078 22.557 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.253 -2.610 20.295 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.807 -3.780 21.476 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.450 -3.153 24.006 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.647 -1.288 20.755 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.320 -2.409 25.576 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.419 -0.544 22.325 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.152 -0.514 24.433 1.00 0.00 H new ATOM 524 N TYR A 37 3.757 -3.236 20.855 1.00 0.00 N ATOM 525 CA TYR A 37 4.811 -3.670 19.894 1.00 0.00 C ATOM 526 C TYR A 37 4.731 -5.185 19.701 1.00 0.00 C ATOM 527 O TYR A 37 4.523 -5.930 20.638 1.00 0.00 O ATOM 528 CB TYR A 37 6.188 -3.296 20.445 1.00 0.00 C ATOM 529 CG TYR A 37 6.374 -1.801 20.364 1.00 0.00 C ATOM 530 CD1 TYR A 37 5.963 -0.985 21.426 1.00 0.00 C ATOM 531 CD2 TYR A 37 6.959 -1.228 19.228 1.00 0.00 C ATOM 532 CE1 TYR A 37 6.136 0.402 21.351 1.00 0.00 C ATOM 533 CE2 TYR A 37 7.132 0.159 19.153 1.00 0.00 C ATOM 534 CZ TYR A 37 6.721 0.975 20.215 1.00 0.00 C ATOM 535 OH TYR A 37 6.891 2.342 20.140 1.00 0.00 O ATOM 0 H TYR A 37 3.756 -3.726 21.749 1.00 0.00 H new ATOM 0 HA TYR A 37 4.657 -3.174 18.936 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.280 -3.629 21.479 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.968 -3.801 19.876 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.513 -1.426 22.303 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.277 -1.857 18.409 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.818 1.031 22.170 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.582 0.600 18.276 1.00 0.00 H new ATOM 0 HH TYR A 37 7.312 2.573 19.286 1.00 0.00 H new ATOM 545 N PHE A 38 4.897 -5.647 18.492 1.00 0.00 N ATOM 546 CA PHE A 38 4.828 -7.114 18.239 1.00 0.00 C ATOM 547 C PHE A 38 6.192 -7.615 17.758 1.00 0.00 C ATOM 548 O PHE A 38 6.808 -7.027 16.892 1.00 0.00 O ATOM 549 CB PHE A 38 3.773 -7.398 17.168 1.00 0.00 C ATOM 550 CG PHE A 38 2.396 -7.150 17.737 1.00 0.00 C ATOM 551 CD1 PHE A 38 1.836 -5.869 17.681 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.681 -8.202 18.322 1.00 0.00 C ATOM 553 CE1 PHE A 38 0.560 -5.640 18.209 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.406 -7.973 18.850 1.00 0.00 C ATOM 555 CZ PHE A 38 -0.155 -6.692 18.794 1.00 0.00 C ATOM 0 H PHE A 38 5.077 -5.072 17.669 1.00 0.00 H new ATOM 0 HA PHE A 38 4.557 -7.629 19.161 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.940 -6.760 16.300 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.856 -8.429 16.826 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.388 -5.057 17.231 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.114 -9.190 18.366 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.127 -4.652 18.165 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.145 -8.785 19.301 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.139 -6.515 19.202 1.00 0.00 H new ATOM 565 N SER A 39 6.667 -8.696 18.312 1.00 0.00 N ATOM 566 CA SER A 39 7.979 -9.245 17.870 1.00 0.00 C ATOM 567 C SER A 39 7.767 -10.164 16.665 1.00 0.00 C ATOM 568 O SER A 39 6.664 -10.583 16.380 1.00 0.00 O ATOM 569 CB SER A 39 8.611 -10.040 19.013 1.00 0.00 C ATOM 570 OG SER A 39 9.679 -9.288 19.574 1.00 0.00 O ATOM 0 H SER A 39 6.203 -9.223 19.052 1.00 0.00 H new ATOM 0 HA SER A 39 8.640 -8.425 17.590 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.864 -10.258 19.776 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.979 -10.998 18.645 1.00 0.00 H new ATOM 0 HG SER A 39 9.675 -8.383 19.198 1.00 0.00 H new ATOM 576 N PRO A 40 8.824 -10.472 15.965 1.00 0.00 N ATOM 577 CA PRO A 40 8.782 -11.405 14.804 1.00 0.00 C ATOM 578 C PRO A 40 8.273 -12.796 15.197 1.00 0.00 C ATOM 579 O PRO A 40 7.729 -13.520 14.387 1.00 0.00 O ATOM 580 CB PRO A 40 10.237 -11.477 14.343 1.00 0.00 C ATOM 581 CG PRO A 40 11.045 -10.992 15.501 1.00 0.00 C ATOM 582 CD PRO A 40 10.182 -9.960 16.208 1.00 0.00 C ATOM 0 HA PRO A 40 8.098 -11.058 14.030 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.513 -12.496 14.071 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.401 -10.856 13.462 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.300 -11.813 16.171 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.984 -10.552 15.165 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.410 -9.899 17.272 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.321 -8.961 15.794 1.00 0.00 H new ATOM 590 N SER A 41 8.447 -13.173 16.434 1.00 0.00 N ATOM 591 CA SER A 41 7.956 -14.507 16.881 1.00 0.00 C ATOM 592 C SER A 41 6.429 -14.480 16.985 1.00 0.00 C ATOM 593 O SER A 41 5.769 -15.488 16.826 1.00 0.00 O ATOM 594 CB SER A 41 8.553 -14.838 18.250 1.00 0.00 C ATOM 595 OG SER A 41 8.174 -13.833 19.183 1.00 0.00 O ATOM 0 H SER A 41 8.907 -12.616 17.154 1.00 0.00 H new ATOM 0 HA SER A 41 8.259 -15.266 16.159 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.202 -15.814 18.586 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.639 -14.896 18.182 1.00 0.00 H new ATOM 0 HG SER A 41 8.553 -14.043 20.062 1.00 0.00 H new ATOM 601 N GLY A 42 5.863 -13.334 17.247 1.00 0.00 N ATOM 602 CA GLY A 42 4.379 -13.239 17.334 1.00 0.00 C ATOM 603 C GLY A 42 3.972 -12.885 18.765 1.00 0.00 C ATOM 604 O GLY A 42 2.803 -12.767 19.077 1.00 0.00 O ATOM 0 H GLY A 42 6.364 -12.460 17.405 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.012 -12.481 16.642 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.926 -14.186 17.040 1.00 0.00 H new ATOM 608 N LYS A 43 4.926 -12.713 19.639 1.00 0.00 N ATOM 609 CA LYS A 43 4.592 -12.366 21.049 1.00 0.00 C ATOM 610 C LYS A 43 4.108 -10.917 21.116 1.00 0.00 C ATOM 611 O LYS A 43 4.630 -10.045 20.449 1.00 0.00 O ATOM 612 CB LYS A 43 5.839 -12.529 21.922 1.00 0.00 C ATOM 613 CG LYS A 43 5.496 -12.177 23.371 1.00 0.00 C ATOM 614 CD LYS A 43 4.465 -13.170 23.908 1.00 0.00 C ATOM 615 CE LYS A 43 4.523 -13.190 25.436 1.00 0.00 C ATOM 616 NZ LYS A 43 5.812 -13.794 25.878 1.00 0.00 N ATOM 0 H LYS A 43 5.922 -12.798 19.437 1.00 0.00 H new ATOM 0 HA LYS A 43 3.806 -13.028 21.411 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.206 -13.553 21.862 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.638 -11.882 21.559 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.396 -12.203 23.985 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.102 -11.162 23.426 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.466 -12.889 23.575 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.664 -14.166 23.513 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.431 -12.177 25.827 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.686 -13.763 25.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.681 -14.253 26.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.121 -14.501 25.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.534 -13.050 25.961 1.00 0.00 H new ATOM 630 N LYS A 44 3.113 -10.650 21.918 1.00 0.00 N ATOM 631 CA LYS A 44 2.581 -9.261 22.009 1.00 0.00 C ATOM 632 C LYS A 44 3.212 -8.552 23.209 1.00 0.00 C ATOM 633 O LYS A 44 3.393 -9.132 24.261 1.00 0.00 O ATOM 634 CB LYS A 44 1.062 -9.308 22.184 1.00 0.00 C ATOM 635 CG LYS A 44 0.512 -7.882 22.258 1.00 0.00 C ATOM 636 CD LYS A 44 -1.011 -7.929 22.399 1.00 0.00 C ATOM 637 CE LYS A 44 -1.562 -6.503 22.456 1.00 0.00 C ATOM 638 NZ LYS A 44 -0.945 -5.777 23.602 1.00 0.00 N ATOM 0 H LYS A 44 2.646 -11.334 22.514 1.00 0.00 H new ATOM 0 HA LYS A 44 2.825 -8.717 21.096 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.606 -9.842 21.351 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.807 -9.855 23.091 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.950 -7.355 23.106 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.788 -7.327 21.361 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.448 -8.466 21.557 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.287 -8.473 23.302 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.347 -5.981 21.523 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.646 -6.525 22.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.679 -5.243 24.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.503 -6.461 24.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.222 -5.119 23.247 1.00 0.00 H new ATOM 652 N PHE A 45 3.548 -7.299 23.060 1.00 0.00 N ATOM 653 CA PHE A 45 4.142 -6.547 24.201 1.00 0.00 C ATOM 654 C PHE A 45 3.393 -5.227 24.388 1.00 0.00 C ATOM 655 O PHE A 45 2.650 -4.795 23.528 1.00 0.00 O ATOM 656 CB PHE A 45 5.616 -6.261 23.910 1.00 0.00 C ATOM 657 CG PHE A 45 6.368 -7.565 23.789 1.00 0.00 C ATOM 658 CD1 PHE A 45 6.320 -8.501 24.829 1.00 0.00 C ATOM 659 CD2 PHE A 45 7.113 -7.838 22.636 1.00 0.00 C ATOM 660 CE1 PHE A 45 7.016 -9.710 24.715 1.00 0.00 C ATOM 661 CE2 PHE A 45 7.811 -9.047 22.523 1.00 0.00 C ATOM 662 CZ PHE A 45 7.762 -9.983 23.562 1.00 0.00 C ATOM 0 H PHE A 45 3.437 -6.765 22.198 1.00 0.00 H new ATOM 0 HA PHE A 45 4.060 -7.142 25.111 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.711 -5.687 22.988 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.044 -5.655 24.708 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.746 -8.290 25.719 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.150 -7.116 21.833 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.978 -10.433 25.517 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.387 -9.257 21.634 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.299 -10.916 23.475 1.00 0.00 H new ATOM 672 N ARG A 46 3.584 -4.579 25.505 1.00 0.00 N ATOM 673 CA ARG A 46 2.871 -3.294 25.752 1.00 0.00 C ATOM 674 C ARG A 46 3.803 -2.328 26.488 1.00 0.00 C ATOM 675 O ARG A 46 4.273 -2.610 27.573 1.00 0.00 O ATOM 676 CB ARG A 46 1.629 -3.554 26.606 1.00 0.00 C ATOM 677 CG ARG A 46 1.071 -4.942 26.284 1.00 0.00 C ATOM 678 CD ARG A 46 -0.170 -5.204 27.139 1.00 0.00 C ATOM 679 NE ARG A 46 0.226 -5.307 28.572 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.688 -5.328 29.502 1.00 0.00 C ATOM 681 NH1 ARG A 46 -1.950 -5.258 29.178 1.00 0.00 N ATOM 682 NH2 ARG A 46 -0.341 -5.418 30.758 1.00 0.00 N ATOM 0 H ARG A 46 4.203 -4.884 26.257 1.00 0.00 H new ATOM 0 HA ARG A 46 2.571 -2.857 24.800 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.882 -3.488 27.664 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.874 -2.792 26.411 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.817 -5.007 25.226 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.827 -5.703 26.478 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.892 -4.398 27.007 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.658 -6.125 26.818 1.00 0.00 H new ATOM 0 HE ARG A 46 1.212 -5.361 28.826 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.222 -5.187 28.197 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.665 -5.274 29.905 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.645 -5.472 31.012 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.056 -5.434 31.485 1.00 0.00 H new ATOM 696 N SER A 47 4.074 -1.192 25.907 1.00 0.00 N ATOM 697 CA SER A 47 4.912 -0.178 26.607 1.00 0.00 C ATOM 698 C SER A 47 6.377 -0.369 26.211 1.00 0.00 C ATOM 699 O SER A 47 6.797 -1.449 25.846 1.00 0.00 O ATOM 700 CB SER A 47 4.766 -0.351 28.119 1.00 0.00 C ATOM 701 OG SER A 47 5.031 0.889 28.762 1.00 0.00 O ATOM 0 H SER A 47 3.751 -0.922 24.978 1.00 0.00 H new ATOM 0 HA SER A 47 4.585 0.822 26.323 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.760 -0.692 28.362 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.456 -1.114 28.478 1.00 0.00 H new ATOM 0 HG SER A 47 4.936 0.782 29.731 1.00 0.00 H new ATOM 707 N LYS A 48 7.161 0.673 26.281 1.00 0.00 N ATOM 708 CA LYS A 48 8.587 0.562 25.865 1.00 0.00 C ATOM 709 C LYS A 48 9.310 -0.430 26.777 1.00 0.00 C ATOM 710 O LYS A 48 10.076 -1.259 26.326 1.00 0.00 O ATOM 711 CB LYS A 48 9.257 1.934 25.970 1.00 0.00 C ATOM 712 CG LYS A 48 10.775 1.758 26.036 1.00 0.00 C ATOM 713 CD LYS A 48 11.459 3.028 25.525 1.00 0.00 C ATOM 714 CE LYS A 48 12.954 2.969 25.846 1.00 0.00 C ATOM 715 NZ LYS A 48 13.654 4.088 25.154 1.00 0.00 N ATOM 0 H LYS A 48 6.875 1.596 26.608 1.00 0.00 H new ATOM 0 HA LYS A 48 8.638 0.210 24.835 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.989 2.548 25.110 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.902 2.457 26.858 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.084 1.553 27.061 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.079 0.901 25.434 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.311 3.126 24.450 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.011 3.907 25.989 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.109 3.039 26.923 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.368 2.013 25.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.632 4.153 25.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.662 3.912 24.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.157 4.981 25.348 1.00 0.00 H new ATOM 729 N PRO A 49 9.067 -0.341 28.057 1.00 0.00 N ATOM 730 CA PRO A 49 9.683 -1.252 29.063 1.00 0.00 C ATOM 731 C PRO A 49 9.526 -2.728 28.686 1.00 0.00 C ATOM 732 O PRO A 49 10.369 -3.548 28.988 1.00 0.00 O ATOM 733 CB PRO A 49 8.916 -0.944 30.350 1.00 0.00 C ATOM 734 CG PRO A 49 8.402 0.448 30.183 1.00 0.00 C ATOM 735 CD PRO A 49 8.171 0.643 28.682 1.00 0.00 C ATOM 0 HA PRO A 49 10.758 -1.092 29.147 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.098 -1.649 30.498 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.565 -1.021 31.222 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.476 0.590 30.741 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.119 1.176 30.564 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.130 0.465 28.411 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.412 1.659 28.369 1.00 0.00 H new ATOM 743 N GLN A 50 8.453 -3.071 28.029 1.00 0.00 N ATOM 744 CA GLN A 50 8.251 -4.489 27.618 1.00 0.00 C ATOM 745 C GLN A 50 9.095 -4.788 26.378 1.00 0.00 C ATOM 746 O GLN A 50 9.778 -5.791 26.307 1.00 0.00 O ATOM 747 CB GLN A 50 6.773 -4.722 27.298 1.00 0.00 C ATOM 748 CG GLN A 50 6.510 -6.224 27.166 1.00 0.00 C ATOM 749 CD GLN A 50 6.741 -6.902 28.517 1.00 0.00 C ATOM 750 OE1 GLN A 50 7.472 -7.868 28.609 1.00 0.00 O ATOM 751 NE2 GLN A 50 6.140 -6.436 29.578 1.00 0.00 N ATOM 0 H GLN A 50 7.707 -2.430 27.759 1.00 0.00 H new ATOM 0 HA GLN A 50 8.555 -5.149 28.431 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.149 -4.301 28.086 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.506 -4.212 26.372 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.488 -6.397 26.830 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.170 -6.655 26.413 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.526 -5.625 29.502 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.284 -6.883 30.483 1.00 0.00 H new ATOM 760 N LEU A 51 9.053 -3.928 25.398 1.00 0.00 N ATOM 761 CA LEU A 51 9.883 -4.144 24.179 1.00 0.00 C ATOM 762 C LEU A 51 11.365 -4.042 24.546 1.00 0.00 C ATOM 763 O LEU A 51 12.179 -4.830 24.106 1.00 0.00 O ATOM 764 CB LEU A 51 9.541 -3.080 23.134 1.00 0.00 C ATOM 765 CG LEU A 51 10.459 -3.241 21.922 1.00 0.00 C ATOM 766 CD1 LEU A 51 10.310 -4.652 21.351 1.00 0.00 C ATOM 767 CD2 LEU A 51 10.076 -2.216 20.853 1.00 0.00 C ATOM 0 H LEU A 51 8.480 -3.085 25.388 1.00 0.00 H new ATOM 0 HA LEU A 51 9.678 -5.133 23.770 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.499 -3.176 22.829 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.657 -2.084 23.562 1.00 0.00 H new ATOM 0 HG LEU A 51 11.493 -3.080 22.227 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.965 -4.766 20.487 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.583 -5.383 22.112 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.276 -4.814 21.046 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.730 -2.330 19.989 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.042 -2.376 20.549 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.183 -1.210 21.259 1.00 0.00 H new ATOM 779 N ALA A 52 11.723 -3.076 25.348 1.00 0.00 N ATOM 780 CA ALA A 52 13.153 -2.920 25.736 1.00 0.00 C ATOM 781 C ALA A 52 13.653 -4.215 26.379 1.00 0.00 C ATOM 782 O ALA A 52 14.724 -4.701 26.069 1.00 0.00 O ATOM 783 CB ALA A 52 13.287 -1.771 26.737 1.00 0.00 C ATOM 0 H ALA A 52 11.087 -2.388 25.751 1.00 0.00 H new ATOM 0 HA ALA A 52 13.747 -2.702 24.849 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.333 -1.656 27.021 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.932 -0.847 26.280 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.692 -1.990 27.624 1.00 0.00 H new ATOM 789 N ARG A 53 12.889 -4.777 27.274 1.00 0.00 N ATOM 790 CA ARG A 53 13.317 -6.045 27.932 1.00 0.00 C ATOM 791 C ARG A 53 13.481 -7.141 26.877 1.00 0.00 C ATOM 792 O ARG A 53 14.353 -7.980 26.972 1.00 0.00 O ATOM 793 CB ARG A 53 12.261 -6.470 28.953 1.00 0.00 C ATOM 794 CG ARG A 53 12.327 -5.544 30.169 1.00 0.00 C ATOM 795 CD ARG A 53 11.225 -5.921 31.161 1.00 0.00 C ATOM 796 NE ARG A 53 10.768 -4.701 31.883 1.00 0.00 N ATOM 797 CZ ARG A 53 11.632 -3.956 32.515 1.00 0.00 C ATOM 798 NH1 ARG A 53 12.898 -4.276 32.509 1.00 0.00 N ATOM 799 NH2 ARG A 53 11.233 -2.890 33.153 1.00 0.00 N ATOM 0 H ARG A 53 11.986 -4.413 27.579 1.00 0.00 H new ATOM 0 HA ARG A 53 14.269 -5.887 28.439 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.268 -6.429 28.504 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.430 -7.502 29.259 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.303 -5.624 30.647 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.209 -4.507 29.856 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.388 -6.380 30.634 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.597 -6.659 31.872 1.00 0.00 H new ATOM 0 HE ARG A 53 9.780 -4.448 31.883 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.211 -5.109 32.010 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.574 -3.693 33.003 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.244 -2.639 33.158 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.910 -2.308 33.647 1.00 0.00 H new ATOM 813 N TYR A 54 12.647 -7.141 25.874 1.00 0.00 N ATOM 814 CA TYR A 54 12.762 -8.181 24.813 1.00 0.00 C ATOM 815 C TYR A 54 14.085 -8.005 24.065 1.00 0.00 C ATOM 816 O TYR A 54 14.806 -8.955 23.828 1.00 0.00 O ATOM 817 CB TYR A 54 11.599 -8.036 23.829 1.00 0.00 C ATOM 818 CG TYR A 54 11.714 -9.092 22.755 1.00 0.00 C ATOM 819 CD1 TYR A 54 12.439 -8.825 21.587 1.00 0.00 C ATOM 820 CD2 TYR A 54 11.097 -10.337 22.928 1.00 0.00 C ATOM 821 CE1 TYR A 54 12.546 -9.804 20.592 1.00 0.00 C ATOM 822 CE2 TYR A 54 11.205 -11.315 21.932 1.00 0.00 C ATOM 823 CZ TYR A 54 11.929 -11.049 20.765 1.00 0.00 C ATOM 824 OH TYR A 54 12.035 -12.013 19.783 1.00 0.00 O ATOM 0 H TYR A 54 11.892 -6.467 25.743 1.00 0.00 H new ATOM 0 HA TYR A 54 12.732 -9.170 25.270 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.649 -8.138 24.354 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.610 -7.043 23.380 1.00 0.00 H new ATOM 0 HD1 TYR A 54 12.915 -7.865 21.454 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.538 -10.543 23.829 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.105 -9.599 19.691 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.729 -12.275 22.065 1.00 0.00 H new ATOM 0 HH TYR A 54 11.550 -12.818 20.061 1.00 0.00 H new ATOM 834 N LEU A 55 14.412 -6.799 23.693 1.00 0.00 N ATOM 835 CA LEU A 55 15.688 -6.564 22.961 1.00 0.00 C ATOM 836 C LEU A 55 16.871 -6.836 23.892 1.00 0.00 C ATOM 837 O LEU A 55 17.944 -7.202 23.456 1.00 0.00 O ATOM 838 CB LEU A 55 15.741 -5.113 22.480 1.00 0.00 C ATOM 839 CG LEU A 55 14.626 -4.872 21.461 1.00 0.00 C ATOM 840 CD1 LEU A 55 14.582 -3.387 21.092 1.00 0.00 C ATOM 841 CD2 LEU A 55 14.899 -5.700 20.204 1.00 0.00 C ATOM 0 H LEU A 55 13.850 -5.965 23.864 1.00 0.00 H new ATOM 0 HA LEU A 55 15.741 -7.234 22.103 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.628 -4.434 23.325 1.00 0.00 H new ATOM 0 HB3 LEU A 55 16.711 -4.903 22.030 1.00 0.00 H new ATOM 0 HG LEU A 55 13.670 -5.167 21.893 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.787 -3.216 20.366 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.389 -2.795 21.987 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.538 -3.091 20.660 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.105 -5.530 19.477 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.856 -5.403 19.774 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.931 -6.758 20.465 1.00 0.00 H new ATOM 853 N GLY A 56 16.685 -6.659 25.172 1.00 0.00 N ATOM 854 CA GLY A 56 17.797 -6.921 26.130 1.00 0.00 C ATOM 855 C GLY A 56 18.896 -5.875 25.933 1.00 0.00 C ATOM 856 O GLY A 56 18.633 -4.692 25.844 1.00 0.00 O ATOM 0 H GLY A 56 15.812 -6.345 25.595 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.425 -6.885 27.154 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.200 -7.921 25.972 1.00 0.00 H new ATOM 860 N ASN A 57 20.128 -6.301 25.868 1.00 0.00 N ATOM 861 CA ASN A 57 21.243 -5.329 25.685 1.00 0.00 C ATOM 862 C ASN A 57 21.785 -5.437 24.258 1.00 0.00 C ATOM 863 O ASN A 57 22.969 -5.298 24.021 1.00 0.00 O ATOM 864 CB ASN A 57 22.363 -5.644 26.680 1.00 0.00 C ATOM 865 CG ASN A 57 22.923 -7.039 26.394 1.00 0.00 C ATOM 866 OD1 ASN A 57 22.445 -7.730 25.517 1.00 0.00 O ATOM 867 ND2 ASN A 57 23.924 -7.484 27.103 1.00 0.00 N ATOM 0 H ASN A 57 20.410 -7.279 25.934 1.00 0.00 H new ATOM 0 HA ASN A 57 20.875 -4.318 25.859 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.155 -4.899 26.600 1.00 0.00 H new ATOM 0 HB3 ASN A 57 21.982 -5.596 27.700 1.00 0.00 H new ATOM 0 HD21 ASN A 57 24.305 -8.412 26.921 1.00 0.00 H new ATOM 0 HD22 ASN A 57 24.325 -6.903 27.839 1.00 0.00 H new ATOM 874 N ALA A 58 20.929 -5.684 23.305 1.00 0.00 N ATOM 875 CA ALA A 58 21.397 -5.811 21.896 1.00 0.00 C ATOM 876 C ALA A 58 21.207 -4.475 21.174 1.00 0.00 C ATOM 877 O ALA A 58 21.842 -4.202 20.175 1.00 0.00 O ATOM 878 CB ALA A 58 20.586 -6.895 21.184 1.00 0.00 C ATOM 0 H ALA A 58 19.925 -5.803 23.441 1.00 0.00 H new ATOM 0 HA ALA A 58 22.452 -6.083 21.887 1.00 0.00 H new ATOM 0 HB1 ALA A 58 20.928 -6.988 20.153 1.00 0.00 H new ATOM 0 HB2 ALA A 58 20.720 -7.847 21.698 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.530 -6.624 21.192 1.00 0.00 H new ATOM 884 N VAL A 59 20.339 -3.639 21.673 1.00 0.00 N ATOM 885 CA VAL A 59 20.111 -2.320 21.017 1.00 0.00 C ATOM 886 C VAL A 59 19.739 -1.281 22.077 1.00 0.00 C ATOM 887 O VAL A 59 19.194 -1.605 23.112 1.00 0.00 O ATOM 888 CB VAL A 59 18.973 -2.445 20.003 1.00 0.00 C ATOM 889 CG1 VAL A 59 18.811 -1.123 19.251 1.00 0.00 C ATOM 890 CG2 VAL A 59 19.298 -3.561 19.008 1.00 0.00 C ATOM 0 H VAL A 59 19.777 -3.812 22.507 1.00 0.00 H new ATOM 0 HA VAL A 59 21.021 -2.006 20.505 1.00 0.00 H new ATOM 0 HB VAL A 59 18.046 -2.681 20.525 1.00 0.00 H new ATOM 0 HG11 VAL A 59 18.000 -1.212 18.528 1.00 0.00 H new ATOM 0 HG12 VAL A 59 18.580 -0.327 19.959 1.00 0.00 H new ATOM 0 HG13 VAL A 59 19.738 -0.886 18.729 1.00 0.00 H new ATOM 0 HG21 VAL A 59 18.488 -3.651 18.285 1.00 0.00 H new ATOM 0 HG22 VAL A 59 20.225 -3.325 18.486 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.413 -4.504 19.543 1.00 0.00 H new ATOM 900 N ASP A 60 20.030 -0.034 21.825 1.00 0.00 N ATOM 901 CA ASP A 60 19.693 1.024 22.820 1.00 0.00 C ATOM 902 C ASP A 60 18.487 1.824 22.323 1.00 0.00 C ATOM 903 O ASP A 60 18.520 2.425 21.268 1.00 0.00 O ATOM 904 CB ASP A 60 20.890 1.961 22.993 1.00 0.00 C ATOM 905 CG ASP A 60 21.996 1.239 23.765 1.00 0.00 C ATOM 906 OD1 ASP A 60 21.703 0.217 24.364 1.00 0.00 O ATOM 907 OD2 ASP A 60 23.117 1.719 23.743 1.00 0.00 O ATOM 0 H ASP A 60 20.486 0.298 20.975 1.00 0.00 H new ATOM 0 HA ASP A 60 19.453 0.561 23.777 1.00 0.00 H new ATOM 0 HB2 ASP A 60 21.260 2.279 22.018 1.00 0.00 H new ATOM 0 HB3 ASP A 60 20.587 2.861 23.528 1.00 0.00 H new ATOM 912 N LEU A 61 17.422 1.839 23.077 1.00 0.00 N ATOM 913 CA LEU A 61 16.215 2.600 22.647 1.00 0.00 C ATOM 914 C LEU A 61 16.187 3.954 23.358 1.00 0.00 C ATOM 915 O LEU A 61 15.167 4.611 23.423 1.00 0.00 O ATOM 916 CB LEU A 61 14.956 1.808 23.009 1.00 0.00 C ATOM 917 CG LEU A 61 14.620 0.839 21.875 1.00 0.00 C ATOM 918 CD1 LEU A 61 15.785 -0.130 21.668 1.00 0.00 C ATOM 919 CD2 LEU A 61 13.360 0.048 22.239 1.00 0.00 C ATOM 0 H LEU A 61 17.336 1.357 23.972 1.00 0.00 H new ATOM 0 HA LEU A 61 16.249 2.756 21.569 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.114 1.258 23.937 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.122 2.488 23.179 1.00 0.00 H new ATOM 0 HG LEU A 61 14.447 1.401 20.957 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.545 -0.820 20.860 1.00 0.00 H new ATOM 0 HD12 LEU A 61 16.684 0.431 21.411 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.958 -0.692 22.586 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.119 -0.644 21.432 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.535 -0.513 23.157 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.528 0.737 22.388 1.00 0.00 H new ATOM 931 N SER A 62 17.301 4.377 23.891 1.00 0.00 N ATOM 932 CA SER A 62 17.337 5.689 24.597 1.00 0.00 C ATOM 933 C SER A 62 16.918 6.800 23.632 1.00 0.00 C ATOM 934 O SER A 62 16.152 7.679 23.977 1.00 0.00 O ATOM 935 CB SER A 62 18.757 5.959 25.098 1.00 0.00 C ATOM 936 OG SER A 62 19.191 4.860 25.889 1.00 0.00 O ATOM 0 H SER A 62 18.187 3.871 23.868 1.00 0.00 H new ATOM 0 HA SER A 62 16.650 5.665 25.443 1.00 0.00 H new ATOM 0 HB2 SER A 62 19.432 6.104 24.254 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.780 6.877 25.686 1.00 0.00 H new ATOM 0 HG SER A 62 20.101 5.028 26.211 1.00 0.00 H new ATOM 942 N CYS A 63 17.412 6.768 22.425 1.00 0.00 N ATOM 943 CA CYS A 63 17.023 7.809 21.432 1.00 0.00 C ATOM 944 C CYS A 63 15.773 7.351 20.677 1.00 0.00 C ATOM 945 O CYS A 63 15.358 7.965 19.715 1.00 0.00 O ATOM 946 CB CYS A 63 18.169 8.022 20.441 1.00 0.00 C ATOM 947 SG CYS A 63 19.660 8.513 21.341 1.00 0.00 S ATOM 0 H CYS A 63 18.068 6.066 22.083 1.00 0.00 H new ATOM 0 HA CYS A 63 16.812 8.745 21.950 1.00 0.00 H new ATOM 0 HB2 CYS A 63 18.355 7.106 19.881 1.00 0.00 H new ATOM 0 HB3 CYS A 63 17.899 8.790 19.716 1.00 0.00 H new ATOM 0 HG CYS A 63 20.635 8.692 20.500 1.00 0.00 H new ATOM 953 N PHE A 64 15.172 6.274 21.105 1.00 0.00 N ATOM 954 CA PHE A 64 13.954 5.774 20.406 1.00 0.00 C ATOM 955 C PHE A 64 12.711 6.144 21.220 1.00 0.00 C ATOM 956 O PHE A 64 12.525 5.685 22.329 1.00 0.00 O ATOM 957 CB PHE A 64 14.037 4.254 20.264 1.00 0.00 C ATOM 958 CG PHE A 64 12.795 3.745 19.571 1.00 0.00 C ATOM 959 CD1 PHE A 64 12.643 3.918 18.190 1.00 0.00 C ATOM 960 CD2 PHE A 64 11.796 3.100 20.310 1.00 0.00 C ATOM 961 CE1 PHE A 64 11.492 3.446 17.548 1.00 0.00 C ATOM 962 CE2 PHE A 64 10.645 2.628 19.668 1.00 0.00 C ATOM 963 CZ PHE A 64 10.493 2.802 18.287 1.00 0.00 C ATOM 0 H PHE A 64 15.471 5.720 21.907 1.00 0.00 H new ATOM 0 HA PHE A 64 13.889 6.228 19.417 1.00 0.00 H new ATOM 0 HB2 PHE A 64 14.924 3.979 19.693 1.00 0.00 H new ATOM 0 HB3 PHE A 64 14.134 3.791 21.246 1.00 0.00 H new ATOM 0 HD1 PHE A 64 13.414 4.416 17.620 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.913 2.967 21.375 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.375 3.579 16.483 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.875 2.130 20.238 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.604 2.439 17.792 1.00 0.00 H new ATOM 973 N ASP A 65 11.860 6.971 20.677 1.00 0.00 N ATOM 974 CA ASP A 65 10.636 7.375 21.423 1.00 0.00 C ATOM 975 C ASP A 65 9.475 6.456 21.035 1.00 0.00 C ATOM 976 O ASP A 65 8.894 6.588 19.976 1.00 0.00 O ATOM 977 CB ASP A 65 10.279 8.821 21.074 1.00 0.00 C ATOM 978 CG ASP A 65 9.071 9.265 21.901 1.00 0.00 C ATOM 979 OD1 ASP A 65 8.440 8.407 22.497 1.00 0.00 O ATOM 980 OD2 ASP A 65 8.798 10.453 21.925 1.00 0.00 O ATOM 0 H ASP A 65 11.960 7.384 19.750 1.00 0.00 H new ATOM 0 HA ASP A 65 10.821 7.295 22.494 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.129 9.474 21.273 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.055 8.904 20.011 1.00 0.00 H new ATOM 985 N PHE A 66 9.133 5.526 21.883 1.00 0.00 N ATOM 986 CA PHE A 66 8.020 4.591 21.555 1.00 0.00 C ATOM 987 C PHE A 66 6.710 5.375 21.448 1.00 0.00 C ATOM 988 O PHE A 66 5.923 5.165 20.547 1.00 0.00 O ATOM 989 CB PHE A 66 7.895 3.539 22.659 1.00 0.00 C ATOM 990 CG PHE A 66 7.451 4.204 23.940 1.00 0.00 C ATOM 991 CD1 PHE A 66 8.366 4.945 24.698 1.00 0.00 C ATOM 992 CD2 PHE A 66 6.125 4.078 24.372 1.00 0.00 C ATOM 993 CE1 PHE A 66 7.955 5.561 25.886 1.00 0.00 C ATOM 994 CE2 PHE A 66 5.714 4.695 25.559 1.00 0.00 C ATOM 995 CZ PHE A 66 6.629 5.436 26.316 1.00 0.00 C ATOM 0 H PHE A 66 9.576 5.373 22.789 1.00 0.00 H new ATOM 0 HA PHE A 66 8.228 4.098 20.605 1.00 0.00 H new ATOM 0 HB2 PHE A 66 7.177 2.773 22.367 1.00 0.00 H new ATOM 0 HB3 PHE A 66 8.852 3.038 22.809 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.389 5.041 24.366 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.419 3.505 23.789 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.661 6.132 26.470 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.691 4.599 25.891 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.312 5.911 27.232 1.00 0.00 H new ATOM 1005 N ARG A 67 6.473 6.278 22.359 1.00 0.00 N ATOM 1006 CA ARG A 67 5.219 7.083 22.302 1.00 0.00 C ATOM 1007 C ARG A 67 4.873 7.384 20.842 1.00 0.00 C ATOM 1008 O ARG A 67 3.753 7.204 20.410 1.00 0.00 O ATOM 1009 CB ARG A 67 5.421 8.396 23.061 1.00 0.00 C ATOM 1010 CG ARG A 67 5.773 8.094 24.518 1.00 0.00 C ATOM 1011 CD ARG A 67 4.515 7.651 25.268 1.00 0.00 C ATOM 1012 NE ARG A 67 3.391 8.573 24.940 1.00 0.00 N ATOM 1013 CZ ARG A 67 3.470 9.836 25.259 1.00 0.00 C ATOM 1014 NH1 ARG A 67 4.532 10.292 25.863 1.00 0.00 N ATOM 1015 NH2 ARG A 67 2.485 10.643 24.972 1.00 0.00 N ATOM 0 H ARG A 67 7.092 6.494 23.140 1.00 0.00 H new ATOM 0 HA ARG A 67 4.405 6.521 22.760 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.217 8.978 22.597 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.515 9.000 23.012 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.531 7.312 24.565 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.198 8.979 24.991 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.254 6.630 24.991 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.699 7.653 26.342 1.00 0.00 H new ATOM 0 HE ARG A 67 2.561 8.217 24.467 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.302 9.661 26.087 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.593 11.279 26.112 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.655 10.286 24.499 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.546 11.630 25.221 1.00 0.00 H new ATOM 1029 N THR A 68 5.828 7.842 20.080 1.00 0.00 N ATOM 1030 CA THR A 68 5.552 8.160 18.650 1.00 0.00 C ATOM 1031 C THR A 68 6.184 7.087 17.759 1.00 0.00 C ATOM 1032 O THR A 68 5.752 6.858 16.646 1.00 0.00 O ATOM 1033 CB THR A 68 6.149 9.526 18.305 1.00 0.00 C ATOM 1034 OG1 THR A 68 7.475 9.601 18.809 1.00 0.00 O ATOM 1035 CG2 THR A 68 5.298 10.630 18.934 1.00 0.00 C ATOM 0 H THR A 68 6.787 8.010 20.385 1.00 0.00 H new ATOM 0 HA THR A 68 4.475 8.183 18.484 1.00 0.00 H new ATOM 0 HB THR A 68 6.163 9.655 17.223 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.860 10.475 18.588 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.724 11.603 18.688 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.281 10.571 18.547 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.282 10.505 20.017 1.00 0.00 H new ATOM 1043 N GLY A 69 7.202 6.428 18.239 1.00 0.00 N ATOM 1044 CA GLY A 69 7.858 5.370 17.420 1.00 0.00 C ATOM 1045 C GLY A 69 8.864 6.012 16.463 1.00 0.00 C ATOM 1046 O GLY A 69 8.974 5.631 15.315 1.00 0.00 O ATOM 0 H GLY A 69 7.608 6.576 19.163 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.363 4.655 18.069 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.108 4.815 16.857 1.00 0.00 H new ATOM 1050 N LYS A 70 9.599 6.986 16.927 1.00 0.00 N ATOM 1051 CA LYS A 70 10.599 7.650 16.044 1.00 0.00 C ATOM 1052 C LYS A 70 11.987 7.549 16.678 1.00 0.00 C ATOM 1053 O LYS A 70 12.126 7.232 17.843 1.00 0.00 O ATOM 1054 CB LYS A 70 10.225 9.124 15.867 1.00 0.00 C ATOM 1055 CG LYS A 70 8.803 9.227 15.312 1.00 0.00 C ATOM 1056 CD LYS A 70 8.800 8.825 13.837 1.00 0.00 C ATOM 1057 CE LYS A 70 7.386 8.967 13.270 1.00 0.00 C ATOM 1058 NZ LYS A 70 7.377 8.540 11.843 1.00 0.00 N ATOM 0 H LYS A 70 9.550 7.350 17.879 1.00 0.00 H new ATOM 0 HA LYS A 70 10.607 7.158 15.071 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.292 9.644 16.822 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.927 9.609 15.189 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.133 8.580 15.878 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.431 10.246 15.423 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.492 9.454 13.277 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.145 7.797 13.729 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.689 8.359 13.847 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.052 10.001 13.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.416 8.637 11.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.030 9.138 11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.679 7.547 11.776 1.00 0.00 H new ATOM 1072 N MET A 71 13.016 7.814 15.921 1.00 0.00 N ATOM 1073 CA MET A 71 14.395 7.726 16.481 1.00 0.00 C ATOM 1074 C MET A 71 15.030 9.118 16.493 1.00 0.00 C ATOM 1075 O MET A 71 14.910 9.874 15.549 1.00 0.00 O ATOM 1076 CB MET A 71 15.238 6.788 15.615 1.00 0.00 C ATOM 1077 CG MET A 71 16.642 6.667 16.210 1.00 0.00 C ATOM 1078 SD MET A 71 17.562 5.381 15.329 1.00 0.00 S ATOM 1079 CE MET A 71 17.673 4.203 16.698 1.00 0.00 C ATOM 0 H MET A 71 12.962 8.087 14.940 1.00 0.00 H new ATOM 0 HA MET A 71 14.350 7.338 17.499 1.00 0.00 H new ATOM 0 HB2 MET A 71 14.769 5.806 15.561 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.295 7.170 14.596 1.00 0.00 H new ATOM 0 HG2 MET A 71 17.165 7.620 16.133 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.579 6.423 17.270 1.00 0.00 H new ATOM 0 HE1 MET A 71 18.151 3.287 16.352 1.00 0.00 H new ATOM 0 HE2 MET A 71 18.263 4.637 17.505 1.00 0.00 H new ATOM 0 HE3 MET A 71 16.672 3.974 17.063 1.00 0.00 H new