USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=17 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 -53:sc= 0.261 USER MOD Single : A 10 CYS SG : rot 180:sc= -1.62 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -118:sc= -1.48 (180deg=-4.75!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -176:sc= 0.0185 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -130:sc= -0.379 USER MOD Single : A 39 SER OG : rot -134:sc= 0.308! USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -119:sc= -1.22! (180deg=-1.98!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -1.03 USER MOD Single : A 48 LYS NZ :NH3+ -128:sc= -1.54 (180deg=-2.7!) USER MOD Single : A 50 GLN : amide:sc= -14.5! C(o=-14!,f=-22!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.67) 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 -94:sc= -8.16! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -4.352 -0.754 11.842 1.00 0.00 N ATOM 53 CA GLY A 6 -3.515 0.472 11.970 1.00 0.00 C ATOM 54 C GLY A 6 -2.092 0.081 12.370 1.00 0.00 C ATOM 55 O GLY A 6 -1.450 0.753 13.151 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.502 1.016 11.026 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.943 1.141 12.717 1.00 0.00 H new ATOM 59 N ARG A 7 -1.594 -1.003 11.841 1.00 0.00 N ATOM 60 CA ARG A 7 -0.216 -1.442 12.199 1.00 0.00 C ATOM 61 C ARG A 7 0.802 -0.653 11.374 1.00 0.00 C ATOM 62 O ARG A 7 0.533 -0.248 10.260 1.00 0.00 O ATOM 63 CB ARG A 7 -0.063 -2.936 11.902 1.00 0.00 C ATOM 64 CG ARG A 7 -0.326 -3.191 10.417 1.00 0.00 C ATOM 65 CD ARG A 7 -0.204 -4.688 10.126 1.00 0.00 C ATOM 66 NE ARG A 7 -0.470 -4.937 8.682 1.00 0.00 N ATOM 67 CZ ARG A 7 -0.136 -6.078 8.144 1.00 0.00 C ATOM 68 NH1 ARG A 7 0.431 -7.001 8.872 1.00 0.00 N ATOM 69 NH2 ARG A 7 -0.368 -6.296 6.879 1.00 0.00 N ATOM 0 H ARG A 7 -2.082 -1.603 11.176 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.042 -1.262 13.260 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.940 -3.269 12.167 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.761 -3.512 12.510 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.321 -2.837 10.147 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.386 -2.633 9.810 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.793 -5.040 10.389 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.911 -5.247 10.739 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.913 -4.216 8.113 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.613 -6.830 9.861 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.692 -7.893 8.452 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.811 -5.574 6.310 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.107 -7.188 6.459 1.00 0.00 H new ATOM 83 N THR A 8 1.970 -0.430 11.911 1.00 0.00 N ATOM 84 CA THR A 8 3.000 0.343 11.163 1.00 0.00 C ATOM 85 C THR A 8 4.380 -0.264 11.421 1.00 0.00 C ATOM 86 O THR A 8 4.633 -0.833 12.464 1.00 0.00 O ATOM 87 CB THR A 8 2.987 1.799 11.635 1.00 0.00 C ATOM 88 OG1 THR A 8 3.365 1.855 13.004 1.00 0.00 O ATOM 89 CG2 THR A 8 1.583 2.380 11.468 1.00 0.00 C ATOM 0 H THR A 8 2.255 -0.750 12.836 1.00 0.00 H new ATOM 0 HA THR A 8 2.780 0.305 10.096 1.00 0.00 H new ATOM 0 HB THR A 8 3.691 2.380 11.039 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.802 1.244 13.524 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.576 3.417 11.805 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.294 2.337 10.418 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.876 1.801 12.062 1.00 0.00 H new ATOM 97 N ASP A 9 5.276 -0.149 10.479 1.00 0.00 N ATOM 98 CA ASP A 9 6.642 -0.710 10.676 1.00 0.00 C ATOM 99 C ASP A 9 7.452 0.226 11.575 1.00 0.00 C ATOM 100 O ASP A 9 7.172 1.404 11.675 1.00 0.00 O ATOM 101 CB ASP A 9 7.339 -0.844 9.320 1.00 0.00 C ATOM 102 CG ASP A 9 6.716 -2.002 8.538 1.00 0.00 C ATOM 103 OD1 ASP A 9 6.013 -2.792 9.147 1.00 0.00 O ATOM 104 OD2 ASP A 9 6.952 -2.078 7.344 1.00 0.00 O ATOM 0 H ASP A 9 5.121 0.309 9.581 1.00 0.00 H new ATOM 0 HA ASP A 9 6.568 -1.691 11.145 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.242 0.084 8.756 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.405 -1.020 9.463 1.00 0.00 H new ATOM 109 N CYS A 10 8.455 -0.290 12.233 1.00 0.00 N ATOM 110 CA CYS A 10 9.289 0.573 13.117 1.00 0.00 C ATOM 111 C CYS A 10 10.705 0.668 12.548 1.00 0.00 C ATOM 112 O CYS A 10 11.408 -0.317 12.439 1.00 0.00 O ATOM 113 CB CYS A 10 9.343 -0.037 14.519 1.00 0.00 C ATOM 114 SG CYS A 10 7.900 -1.102 14.769 1.00 0.00 S ATOM 0 H CYS A 10 8.732 -1.271 12.196 1.00 0.00 H new ATOM 0 HA CYS A 10 8.851 1.570 13.170 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.260 -0.614 14.641 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.360 0.752 15.270 1.00 0.00 H new ATOM 0 HG CYS A 10 7.946 -1.623 15.959 1.00 0.00 H new ATOM 120 N PRO A 11 11.117 1.853 12.188 1.00 0.00 N ATOM 121 CA PRO A 11 12.458 2.093 11.581 1.00 0.00 C ATOM 122 C PRO A 11 13.594 1.916 12.594 1.00 0.00 C ATOM 123 O PRO A 11 14.715 1.615 12.238 1.00 0.00 O ATOM 124 CB PRO A 11 12.389 3.545 11.106 1.00 0.00 C ATOM 125 CG PRO A 11 11.339 4.191 11.948 1.00 0.00 C ATOM 126 CD PRO A 11 10.345 3.097 12.322 1.00 0.00 C ATOM 0 HA PRO A 11 12.672 1.383 10.782 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.351 4.044 11.227 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.132 3.600 10.048 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.778 4.637 12.840 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.844 4.994 11.401 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.972 3.227 13.338 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.479 3.102 11.661 1.00 0.00 H new ATOM 134 N ALA A 12 13.311 2.100 13.855 1.00 0.00 N ATOM 135 CA ALA A 12 14.373 1.943 14.888 1.00 0.00 C ATOM 136 C ALA A 12 14.563 0.457 15.202 1.00 0.00 C ATOM 137 O ALA A 12 15.495 0.070 15.879 1.00 0.00 O ATOM 138 CB ALA A 12 13.962 2.685 16.161 1.00 0.00 C ATOM 0 H ALA A 12 12.390 2.352 14.214 1.00 0.00 H new ATOM 0 HA ALA A 12 15.308 2.358 14.513 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.739 2.570 16.916 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.827 3.743 15.938 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.026 2.271 16.537 1.00 0.00 H new ATOM 144 N LEU A 13 13.686 -0.379 14.715 1.00 0.00 N ATOM 145 CA LEU A 13 13.816 -1.838 14.990 1.00 0.00 C ATOM 146 C LEU A 13 13.996 -2.591 13.671 1.00 0.00 C ATOM 147 O LEU A 13 13.464 -2.206 12.648 1.00 0.00 O ATOM 148 CB LEU A 13 12.553 -2.337 15.695 1.00 0.00 C ATOM 149 CG LEU A 13 12.286 -1.481 16.934 1.00 0.00 C ATOM 150 CD1 LEU A 13 10.893 -1.793 17.481 1.00 0.00 C ATOM 151 CD2 LEU A 13 13.335 -1.794 18.004 1.00 0.00 C ATOM 0 H LEU A 13 12.886 -0.115 14.139 1.00 0.00 H new ATOM 0 HA LEU A 13 14.682 -2.013 15.629 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.702 -2.288 15.016 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.673 -3.382 15.981 1.00 0.00 H new ATOM 0 HG LEU A 13 12.342 -0.426 16.665 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.704 -1.183 18.364 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.145 -1.572 16.720 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.836 -2.848 17.750 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.146 -1.185 18.888 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.278 -2.849 18.272 1.00 0.00 H new ATOM 0 HD23 LEU A 13 14.329 -1.571 17.615 1.00 0.00 H new ATOM 163 N PRO A 14 14.744 -3.660 13.699 1.00 0.00 N ATOM 164 CA PRO A 14 15.015 -4.490 12.490 1.00 0.00 C ATOM 165 C PRO A 14 13.770 -4.658 11.614 1.00 0.00 C ATOM 166 O PRO A 14 12.655 -4.659 12.096 1.00 0.00 O ATOM 167 CB PRO A 14 15.452 -5.842 13.060 1.00 0.00 C ATOM 168 CG PRO A 14 15.991 -5.547 14.420 1.00 0.00 C ATOM 169 CD PRO A 14 15.415 -4.192 14.894 1.00 0.00 C ATOM 0 HA PRO A 14 15.763 -4.030 11.845 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.613 -6.535 13.113 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.210 -6.307 12.430 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.716 -6.339 15.116 1.00 0.00 H new ATOM 0 HG3 PRO A 14 17.080 -5.508 14.395 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.717 -4.321 15.721 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.202 -3.523 15.243 1.00 0.00 H new ATOM 177 N PRO A 15 13.967 -4.800 10.331 1.00 0.00 N ATOM 178 CA PRO A 15 12.853 -4.983 9.358 1.00 0.00 C ATOM 179 C PRO A 15 11.872 -6.074 9.797 1.00 0.00 C ATOM 180 O PRO A 15 12.247 -7.210 10.009 1.00 0.00 O ATOM 181 CB PRO A 15 13.562 -5.390 8.067 1.00 0.00 C ATOM 182 CG PRO A 15 14.946 -4.839 8.182 1.00 0.00 C ATOM 183 CD PRO A 15 15.280 -4.802 9.669 1.00 0.00 C ATOM 0 HA PRO A 15 12.251 -4.080 9.258 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.579 -6.474 7.953 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.050 -4.986 7.194 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.657 -5.463 7.641 1.00 0.00 H new ATOM 0 HG3 PRO A 15 15.003 -3.841 7.748 1.00 0.00 H new ATOM 0 HD2 PRO A 15 15.875 -5.666 9.966 1.00 0.00 H new ATOM 0 HD3 PRO A 15 15.857 -3.914 9.926 1.00 0.00 H new ATOM 191 N GLY A 16 10.619 -5.738 9.937 1.00 0.00 N ATOM 192 CA GLY A 16 9.616 -6.757 10.356 1.00 0.00 C ATOM 193 C GLY A 16 8.932 -6.300 11.646 1.00 0.00 C ATOM 194 O GLY A 16 7.781 -6.602 11.890 1.00 0.00 O ATOM 0 H GLY A 16 10.247 -4.802 9.779 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.875 -6.898 9.569 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.103 -7.720 10.511 1.00 0.00 H new ATOM 198 N TRP A 17 9.632 -5.573 12.474 1.00 0.00 N ATOM 199 CA TRP A 17 9.021 -5.095 13.746 1.00 0.00 C ATOM 200 C TRP A 17 7.799 -4.230 13.430 1.00 0.00 C ATOM 201 O TRP A 17 7.843 -3.362 12.580 1.00 0.00 O ATOM 202 CB TRP A 17 10.045 -4.267 14.525 1.00 0.00 C ATOM 203 CG TRP A 17 10.797 -5.157 15.460 1.00 0.00 C ATOM 204 CD1 TRP A 17 11.991 -5.735 15.193 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.430 -5.581 16.805 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.380 -6.486 16.287 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.451 -6.423 17.307 1.00 0.00 C ATOM 208 CE3 TRP A 17 9.322 -5.319 17.631 1.00 0.00 C ATOM 209 CZ2 TRP A 17 11.375 -6.985 18.582 1.00 0.00 C ATOM 210 CZ3 TRP A 17 9.242 -5.884 18.915 1.00 0.00 C ATOM 211 CH2 TRP A 17 10.267 -6.715 19.389 1.00 0.00 C ATOM 0 H TRP A 17 10.600 -5.290 12.324 1.00 0.00 H new ATOM 0 HA TRP A 17 8.715 -5.951 14.347 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.735 -3.780 13.836 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.542 -3.478 15.083 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.549 -5.627 14.275 1.00 0.00 H new ATOM 0 HE1 TRP A 17 13.247 -7.021 16.335 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.528 -4.679 17.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 12.167 -7.624 18.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 8.386 -5.677 19.540 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.200 -7.146 20.377 1.00 0.00 H new ATOM 222 N LYS A 18 6.707 -4.458 14.109 1.00 0.00 N ATOM 223 CA LYS A 18 5.486 -3.645 13.849 1.00 0.00 C ATOM 224 C LYS A 18 4.986 -3.043 15.163 1.00 0.00 C ATOM 225 O LYS A 18 5.181 -3.599 16.226 1.00 0.00 O ATOM 226 CB LYS A 18 4.397 -4.538 13.249 1.00 0.00 C ATOM 227 CG LYS A 18 4.854 -5.054 11.884 1.00 0.00 C ATOM 228 CD LYS A 18 3.740 -5.892 11.254 1.00 0.00 C ATOM 229 CE LYS A 18 3.667 -7.251 11.953 1.00 0.00 C ATOM 230 NZ LYS A 18 2.854 -8.191 11.129 1.00 0.00 N ATOM 0 H LYS A 18 6.608 -5.171 14.831 1.00 0.00 H new ATOM 0 HA LYS A 18 5.724 -2.844 13.150 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.191 -5.375 13.916 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.468 -3.977 13.145 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.106 -4.217 11.233 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.757 -5.655 11.994 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.785 -5.373 11.343 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.930 -6.028 10.189 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.670 -7.652 12.098 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.223 -7.140 12.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.804 -9.115 11.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.894 -7.809 11.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.296 -8.305 10.195 1.00 0.00 H new ATOM 244 N LYS A 19 4.342 -1.910 15.100 1.00 0.00 N ATOM 245 CA LYS A 19 3.836 -1.270 16.348 1.00 0.00 C ATOM 246 C LYS A 19 2.483 -0.612 16.072 1.00 0.00 C ATOM 247 O LYS A 19 2.222 -0.138 14.983 1.00 0.00 O ATOM 248 CB LYS A 19 4.834 -0.208 16.816 1.00 0.00 C ATOM 249 CG LYS A 19 5.161 0.733 15.654 1.00 0.00 C ATOM 250 CD LYS A 19 6.438 1.514 15.973 1.00 0.00 C ATOM 251 CE LYS A 19 6.091 2.729 16.835 1.00 0.00 C ATOM 252 NZ LYS A 19 5.297 3.699 16.029 1.00 0.00 N ATOM 0 H LYS A 19 4.144 -1.400 14.239 1.00 0.00 H new ATOM 0 HA LYS A 19 3.720 -2.027 17.124 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.416 0.357 17.649 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.745 -0.684 17.179 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.292 0.161 14.735 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.333 1.422 15.486 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.147 0.874 16.497 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.921 1.835 15.050 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.523 2.416 17.711 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.003 3.203 17.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.819 4.595 15.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.134 3.309 15.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.383 3.870 16.494 1.00 0.00 H new ATOM 266 N GLU A 20 1.620 -0.578 17.050 1.00 0.00 N ATOM 267 CA GLU A 20 0.287 0.057 16.846 1.00 0.00 C ATOM 268 C GLU A 20 -0.113 0.817 18.112 1.00 0.00 C ATOM 269 O GLU A 20 0.119 0.369 19.216 1.00 0.00 O ATOM 270 CB GLU A 20 -0.754 -1.025 16.551 1.00 0.00 C ATOM 271 CG GLU A 20 -2.158 -0.431 16.675 1.00 0.00 C ATOM 272 CD GLU A 20 -2.319 0.715 15.674 1.00 0.00 C ATOM 273 OE1 GLU A 20 -1.666 1.729 15.854 1.00 0.00 O ATOM 274 OE2 GLU A 20 -3.092 0.557 14.743 1.00 0.00 O ATOM 0 H GLU A 20 1.780 -0.962 17.981 1.00 0.00 H new ATOM 0 HA GLU A 20 0.339 0.750 16.006 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.604 -1.425 15.548 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.637 -1.856 17.246 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.907 -1.200 16.487 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.322 -0.067 17.689 1.00 0.00 H new ATOM 281 N GLU A 21 -0.713 1.967 17.960 1.00 0.00 N ATOM 282 CA GLU A 21 -1.131 2.751 19.156 1.00 0.00 C ATOM 283 C GLU A 21 -2.655 2.700 19.293 1.00 0.00 C ATOM 284 O GLU A 21 -3.381 3.000 18.367 1.00 0.00 O ATOM 285 CB GLU A 21 -0.683 4.206 18.995 1.00 0.00 C ATOM 286 CG GLU A 21 -1.011 4.986 20.269 1.00 0.00 C ATOM 287 CD GLU A 21 -0.470 6.412 20.149 1.00 0.00 C ATOM 288 OE1 GLU A 21 -0.704 7.028 19.122 1.00 0.00 O ATOM 289 OE2 GLU A 21 0.167 6.864 21.086 1.00 0.00 O ATOM 0 H GLU A 21 -0.931 2.396 17.061 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.671 2.325 20.048 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.388 4.248 18.796 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.184 4.659 18.140 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.089 5.007 20.428 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.571 4.491 21.135 1.00 0.00 H new ATOM 296 N VAL A 22 -3.143 2.320 20.442 1.00 0.00 N ATOM 297 CA VAL A 22 -4.619 2.260 20.642 1.00 0.00 C ATOM 298 C VAL A 22 -5.075 3.487 21.436 1.00 0.00 C ATOM 299 O VAL A 22 -4.508 3.824 22.455 1.00 0.00 O ATOM 300 CB VAL A 22 -4.978 0.990 21.414 1.00 0.00 C ATOM 301 CG1 VAL A 22 -6.498 0.825 21.447 1.00 0.00 C ATOM 302 CG2 VAL A 22 -4.350 -0.221 20.722 1.00 0.00 C ATOM 0 H VAL A 22 -2.584 2.049 21.251 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.118 2.248 19.673 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.598 1.065 22.433 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.754 -0.080 21.997 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.947 1.688 21.939 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.878 0.750 20.428 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.605 -1.127 21.272 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.730 -0.295 19.703 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.266 -0.105 20.698 1.00 0.00 H new ATOM 312 N ILE A 23 -6.096 4.156 20.976 1.00 0.00 N ATOM 313 CA ILE A 23 -6.584 5.362 21.703 1.00 0.00 C ATOM 314 C ILE A 23 -7.831 5.000 22.513 1.00 0.00 C ATOM 315 O ILE A 23 -8.804 4.503 21.983 1.00 0.00 O ATOM 316 CB ILE A 23 -6.931 6.459 20.695 1.00 0.00 C ATOM 317 CG1 ILE A 23 -5.689 6.805 19.872 1.00 0.00 C ATOM 318 CG2 ILE A 23 -7.410 7.705 21.442 1.00 0.00 C ATOM 319 CD1 ILE A 23 -6.085 7.708 18.703 1.00 0.00 C ATOM 0 H ILE A 23 -6.613 3.920 20.129 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.805 5.720 22.376 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.721 6.107 20.032 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.953 7.307 20.499 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.222 5.894 19.499 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.657 8.487 20.724 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.294 7.459 22.030 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.620 8.058 22.105 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.199 7.954 18.117 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.806 7.190 18.071 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.532 8.625 19.087 1.00 0.00 H new ATOM 331 N ARG A 24 -7.809 5.244 23.795 1.00 0.00 N ATOM 332 CA ARG A 24 -8.990 4.908 24.638 1.00 0.00 C ATOM 333 C ARG A 24 -10.242 5.558 24.045 1.00 0.00 C ATOM 334 O ARG A 24 -10.442 6.752 24.149 1.00 0.00 O ATOM 335 CB ARG A 24 -8.768 5.431 26.058 1.00 0.00 C ATOM 336 CG ARG A 24 -9.902 4.947 26.964 1.00 0.00 C ATOM 337 CD ARG A 24 -9.474 3.662 27.676 1.00 0.00 C ATOM 338 NE ARG A 24 -8.175 3.887 28.370 1.00 0.00 N ATOM 339 CZ ARG A 24 -7.832 3.126 29.372 1.00 0.00 C ATOM 340 NH1 ARG A 24 -8.622 2.162 29.760 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.698 3.326 29.986 1.00 0.00 N ATOM 0 H ARG A 24 -7.024 5.662 24.295 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.121 3.826 24.665 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.809 5.081 26.440 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.731 6.520 26.054 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.150 5.716 27.696 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.801 4.767 26.374 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.236 3.362 28.396 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.378 2.849 26.956 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.554 4.636 28.062 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.508 2.004 29.279 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.354 1.567 30.544 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.079 4.078 29.682 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.430 2.730 30.770 1.00 0.00 H new ATOM 355 N LYS A 25 -11.086 4.781 23.422 1.00 0.00 N ATOM 356 CA LYS A 25 -12.327 5.355 22.829 1.00 0.00 C ATOM 357 C LYS A 25 -13.473 5.241 23.836 1.00 0.00 C ATOM 358 O LYS A 25 -14.496 5.883 23.703 1.00 0.00 O ATOM 359 CB LYS A 25 -12.688 4.583 21.557 1.00 0.00 C ATOM 360 CG LYS A 25 -12.968 3.120 21.909 1.00 0.00 C ATOM 361 CD LYS A 25 -13.259 2.334 20.629 1.00 0.00 C ATOM 362 CE LYS A 25 -13.542 0.873 20.981 1.00 0.00 C ATOM 363 NZ LYS A 25 -13.818 0.107 19.732 1.00 0.00 N ATOM 0 H LYS A 25 -10.970 3.775 23.298 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.161 6.404 22.584 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.564 5.028 21.085 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.872 4.645 20.837 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.111 2.689 22.426 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.817 3.055 22.590 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.115 2.767 20.111 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.409 2.397 19.949 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.689 0.442 21.504 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.395 0.809 21.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.011 -0.887 19.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.645 0.514 19.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.991 0.159 19.103 1.00 0.00 H new ATOM 377 N SER A 26 -13.311 4.428 24.845 1.00 0.00 N ATOM 378 CA SER A 26 -14.403 4.253 25.842 1.00 0.00 C ATOM 379 C SER A 26 -14.130 5.140 27.060 1.00 0.00 C ATOM 380 O SER A 26 -13.043 5.146 27.603 1.00 0.00 O ATOM 381 CB SER A 26 -14.462 2.789 26.282 1.00 0.00 C ATOM 382 OG SER A 26 -15.450 2.642 27.292 1.00 0.00 O ATOM 0 H SER A 26 -12.470 3.878 25.021 1.00 0.00 H new ATOM 0 HA SER A 26 -15.354 4.536 25.392 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.698 2.151 25.431 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.490 2.471 26.659 1.00 0.00 H new ATOM 0 HG SER A 26 -15.492 1.705 27.575 1.00 0.00 H new ATOM 388 N GLY A 27 -15.108 5.888 27.491 1.00 0.00 N ATOM 389 CA GLY A 27 -14.912 6.752 28.689 1.00 0.00 C ATOM 390 C GLY A 27 -14.672 8.196 28.246 1.00 0.00 C ATOM 391 O GLY A 27 -14.075 8.449 27.219 1.00 0.00 O ATOM 0 H GLY A 27 -16.034 5.938 27.066 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.789 6.700 29.335 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.064 6.394 29.273 1.00 0.00 H new ATOM 395 N LEU A 28 -15.134 9.146 29.012 1.00 0.00 N ATOM 396 CA LEU A 28 -14.936 10.573 28.630 1.00 0.00 C ATOM 397 C LEU A 28 -13.439 10.889 28.602 1.00 0.00 C ATOM 398 O LEU A 28 -13.015 11.887 28.052 1.00 0.00 O ATOM 399 CB LEU A 28 -15.628 11.476 29.653 1.00 0.00 C ATOM 400 CG LEU A 28 -15.807 12.874 29.060 1.00 0.00 C ATOM 401 CD1 LEU A 28 -16.992 12.871 28.092 1.00 0.00 C ATOM 402 CD2 LEU A 28 -16.073 13.875 30.187 1.00 0.00 C ATOM 0 H LEU A 28 -15.640 8.996 29.885 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.364 10.748 27.643 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -16.597 11.058 29.926 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.035 11.530 30.566 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.902 13.160 28.525 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -17.119 13.868 27.670 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.804 12.158 27.289 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -17.898 12.585 28.627 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -16.201 14.872 29.765 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -16.978 13.588 30.722 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.229 13.878 30.877 1.00 0.00 H new ATOM 414 N SER A 29 -12.633 10.047 29.188 1.00 0.00 N ATOM 415 CA SER A 29 -11.166 10.309 29.208 1.00 0.00 C ATOM 416 C SER A 29 -10.606 10.175 27.791 1.00 0.00 C ATOM 417 O SER A 29 -9.433 9.923 27.598 1.00 0.00 O ATOM 418 CB SER A 29 -10.481 9.297 30.125 1.00 0.00 C ATOM 419 OG SER A 29 -10.495 8.017 29.506 1.00 0.00 O ATOM 0 H SER A 29 -12.927 9.189 29.654 1.00 0.00 H new ATOM 0 HA SER A 29 -10.981 11.317 29.578 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.455 9.606 30.324 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.994 9.255 31.086 1.00 0.00 H new ATOM 0 HG SER A 29 -10.055 7.366 30.091 1.00 0.00 H new ATOM 425 N ALA A 30 -11.435 10.342 26.797 1.00 0.00 N ATOM 426 CA ALA A 30 -10.948 10.229 25.394 1.00 0.00 C ATOM 427 C ALA A 30 -9.661 11.042 25.232 1.00 0.00 C ATOM 428 O ALA A 30 -9.591 12.192 25.616 1.00 0.00 O ATOM 429 CB ALA A 30 -12.015 10.767 24.438 1.00 0.00 C ATOM 0 H ALA A 30 -12.428 10.552 26.896 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.748 9.183 25.163 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.659 10.684 23.411 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.931 10.187 24.552 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.216 11.813 24.669 1.00 0.00 H new ATOM 435 N GLY A 31 -8.643 10.453 24.668 1.00 0.00 N ATOM 436 CA GLY A 31 -7.356 11.186 24.501 1.00 0.00 C ATOM 437 C GLY A 31 -6.213 10.353 25.081 1.00 0.00 C ATOM 438 O GLY A 31 -5.073 10.480 24.679 1.00 0.00 O ATOM 0 H GLY A 31 -8.646 9.496 24.315 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.174 11.386 23.445 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.408 12.151 25.004 1.00 0.00 H new ATOM 442 N LYS A 32 -6.508 9.500 26.023 1.00 0.00 N ATOM 443 CA LYS A 32 -5.445 8.625 26.596 1.00 0.00 C ATOM 444 C LYS A 32 -5.147 7.483 25.622 1.00 0.00 C ATOM 445 O LYS A 32 -6.040 6.822 25.133 1.00 0.00 O ATOM 446 CB LYS A 32 -5.923 8.047 27.930 1.00 0.00 C ATOM 447 CG LYS A 32 -4.852 8.277 28.998 1.00 0.00 C ATOM 448 CD LYS A 32 -3.635 7.399 28.700 1.00 0.00 C ATOM 449 CE LYS A 32 -3.814 6.035 29.368 1.00 0.00 C ATOM 450 NZ LYS A 32 -2.843 5.065 28.785 1.00 0.00 N ATOM 0 H LYS A 32 -7.438 9.371 26.421 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.540 9.210 26.758 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.858 8.520 28.230 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.125 6.981 27.825 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.560 9.327 29.015 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.251 8.041 29.985 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.517 7.276 27.623 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.728 7.879 29.067 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.657 6.121 30.443 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.833 5.678 29.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.964 4.137 29.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.013 4.975 27.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.873 5.405 28.946 1.00 0.00 H new ATOM 464 N SER A 33 -3.895 7.246 25.337 1.00 0.00 N ATOM 465 CA SER A 33 -3.543 6.179 24.359 1.00 0.00 C ATOM 466 C SER A 33 -2.304 5.425 24.848 1.00 0.00 C ATOM 467 O SER A 33 -1.545 5.920 25.657 1.00 0.00 O ATOM 468 CB SER A 33 -3.250 6.811 22.998 1.00 0.00 C ATOM 469 OG SER A 33 -1.898 7.247 22.964 1.00 0.00 O ATOM 0 H SER A 33 -3.102 7.745 25.739 1.00 0.00 H new ATOM 0 HA SER A 33 -4.377 5.484 24.265 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.431 6.089 22.202 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.920 7.653 22.823 1.00 0.00 H new ATOM 0 HG SER A 33 -1.724 7.708 22.117 1.00 0.00 H new ATOM 475 N ASP A 34 -2.094 4.232 24.363 1.00 0.00 N ATOM 476 CA ASP A 34 -0.896 3.455 24.789 1.00 0.00 C ATOM 477 C ASP A 34 -0.174 2.915 23.553 1.00 0.00 C ATOM 478 O ASP A 34 -0.777 2.675 22.525 1.00 0.00 O ATOM 479 CB ASP A 34 -1.334 2.287 25.676 1.00 0.00 C ATOM 480 CG ASP A 34 -0.100 1.587 26.244 1.00 0.00 C ATOM 481 OD1 ASP A 34 0.998 1.951 25.853 1.00 0.00 O ATOM 482 OD2 ASP A 34 -0.271 0.696 27.061 1.00 0.00 O ATOM 0 H ASP A 34 -2.700 3.762 23.690 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.222 4.103 25.350 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.965 2.650 26.487 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.931 1.582 25.098 1.00 0.00 H new ATOM 487 N VAL A 35 1.113 2.721 23.643 1.00 0.00 N ATOM 488 CA VAL A 35 1.875 2.219 22.465 1.00 0.00 C ATOM 489 C VAL A 35 2.133 0.720 22.625 1.00 0.00 C ATOM 490 O VAL A 35 2.634 0.270 23.637 1.00 0.00 O ATOM 491 CB VAL A 35 3.209 2.959 22.368 1.00 0.00 C ATOM 492 CG1 VAL A 35 3.923 2.560 21.074 1.00 0.00 C ATOM 493 CG2 VAL A 35 2.956 4.467 22.364 1.00 0.00 C ATOM 0 H VAL A 35 1.670 2.888 24.481 1.00 0.00 H new ATOM 0 HA VAL A 35 1.297 2.393 21.558 1.00 0.00 H new ATOM 0 HB VAL A 35 3.832 2.696 23.223 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.874 3.088 21.006 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.104 1.485 21.075 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.300 2.822 20.219 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.907 4.995 22.295 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.332 4.729 21.509 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.448 4.753 23.285 1.00 0.00 H new ATOM 503 N TYR A 36 1.796 -0.059 21.633 1.00 0.00 N ATOM 504 CA TYR A 36 2.041 -1.527 21.721 1.00 0.00 C ATOM 505 C TYR A 36 3.094 -1.930 20.686 1.00 0.00 C ATOM 506 O TYR A 36 3.150 -1.387 19.601 1.00 0.00 O ATOM 507 CB TYR A 36 0.738 -2.279 21.443 1.00 0.00 C ATOM 508 CG TYR A 36 -0.297 -1.891 22.472 1.00 0.00 C ATOM 509 CD1 TYR A 36 -1.022 -0.702 22.322 1.00 0.00 C ATOM 510 CD2 TYR A 36 -0.533 -2.720 23.574 1.00 0.00 C ATOM 511 CE1 TYR A 36 -1.982 -0.343 23.275 1.00 0.00 C ATOM 512 CE2 TYR A 36 -1.494 -2.361 24.528 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.218 -1.173 24.378 1.00 0.00 C ATOM 514 OH TYR A 36 -3.164 -0.818 25.318 1.00 0.00 O ATOM 0 H TYR A 36 1.362 0.257 20.766 1.00 0.00 H new ATOM 0 HA TYR A 36 2.398 -1.777 22.720 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.377 -2.044 20.442 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.912 -3.354 21.475 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.840 -0.062 21.471 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.026 -3.637 23.689 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.541 0.574 23.160 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.676 -3.001 25.379 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.204 -1.503 26.017 1.00 0.00 H new ATOM 524 N TYR A 37 3.928 -2.879 21.013 1.00 0.00 N ATOM 525 CA TYR A 37 4.984 -3.306 20.053 1.00 0.00 C ATOM 526 C TYR A 37 4.858 -4.808 19.790 1.00 0.00 C ATOM 527 O TYR A 37 4.682 -5.593 20.700 1.00 0.00 O ATOM 528 CB TYR A 37 6.362 -3.005 20.644 1.00 0.00 C ATOM 529 CG TYR A 37 6.380 -1.596 21.188 1.00 0.00 C ATOM 530 CD1 TYR A 37 6.702 -0.524 20.346 1.00 0.00 C ATOM 531 CD2 TYR A 37 6.076 -1.362 22.534 1.00 0.00 C ATOM 532 CE1 TYR A 37 6.719 0.781 20.851 1.00 0.00 C ATOM 533 CE2 TYR A 37 6.093 -0.056 23.038 1.00 0.00 C ATOM 534 CZ TYR A 37 6.414 1.016 22.197 1.00 0.00 C ATOM 535 OH TYR A 37 6.431 2.303 22.694 1.00 0.00 O ATOM 0 H TYR A 37 3.923 -3.377 21.903 1.00 0.00 H new ATOM 0 HA TYR A 37 4.864 -2.762 19.116 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.592 -3.716 21.438 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.130 -3.121 19.880 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.937 -0.704 19.307 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.828 -2.189 23.184 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.968 1.608 20.202 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.858 0.125 24.077 1.00 0.00 H new ATOM 0 HH TYR A 37 6.964 2.329 23.516 1.00 0.00 H new ATOM 545 N PHE A 38 4.946 -5.213 18.553 1.00 0.00 N ATOM 546 CA PHE A 38 4.844 -6.665 18.235 1.00 0.00 C ATOM 547 C PHE A 38 6.185 -7.165 17.694 1.00 0.00 C ATOM 548 O PHE A 38 6.765 -6.573 16.805 1.00 0.00 O ATOM 549 CB PHE A 38 3.756 -6.881 17.182 1.00 0.00 C ATOM 550 CG PHE A 38 2.414 -6.494 17.756 1.00 0.00 C ATOM 551 CD1 PHE A 38 1.641 -7.447 18.431 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.943 -5.183 17.613 1.00 0.00 C ATOM 553 CE1 PHE A 38 0.397 -7.089 18.964 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.699 -4.825 18.146 1.00 0.00 C ATOM 555 CZ PHE A 38 -0.074 -5.778 18.821 1.00 0.00 C ATOM 0 H PHE A 38 5.084 -4.601 17.749 1.00 0.00 H new ATOM 0 HA PHE A 38 4.589 -7.218 19.139 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.970 -6.284 16.295 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.742 -7.925 16.868 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.005 -8.458 18.540 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.539 -4.449 17.092 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.199 -7.823 19.485 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.335 -3.814 18.037 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.034 -5.502 19.232 1.00 0.00 H new ATOM 565 N SER A 39 6.681 -8.249 18.222 1.00 0.00 N ATOM 566 CA SER A 39 7.985 -8.785 17.738 1.00 0.00 C ATOM 567 C SER A 39 7.752 -9.638 16.489 1.00 0.00 C ATOM 568 O SER A 39 6.636 -10.001 16.173 1.00 0.00 O ATOM 569 CB SER A 39 8.621 -9.643 18.831 1.00 0.00 C ATOM 570 OG SER A 39 7.633 -9.987 19.793 1.00 0.00 O ATOM 0 H SER A 39 6.240 -8.787 18.968 1.00 0.00 H new ATOM 0 HA SER A 39 8.651 -7.957 17.494 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.052 -10.545 18.397 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.436 -9.099 19.308 1.00 0.00 H new ATOM 0 HG SER A 39 7.993 -9.850 20.694 1.00 0.00 H new ATOM 576 N PRO A 40 8.806 -9.954 15.786 1.00 0.00 N ATOM 577 CA PRO A 40 8.738 -10.815 14.571 1.00 0.00 C ATOM 578 C PRO A 40 8.011 -12.136 14.837 1.00 0.00 C ATOM 579 O PRO A 40 7.330 -12.664 13.980 1.00 0.00 O ATOM 580 CB PRO A 40 10.205 -11.071 14.226 1.00 0.00 C ATOM 581 CG PRO A 40 10.961 -9.935 14.835 1.00 0.00 C ATOM 582 CD PRO A 40 10.182 -9.522 16.078 1.00 0.00 C ATOM 0 HA PRO A 40 8.179 -10.338 13.766 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.542 -12.027 14.627 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.354 -11.108 13.147 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.976 -10.238 15.094 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.045 -9.104 14.135 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.572 -10.005 16.974 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.237 -8.446 16.246 1.00 0.00 H new ATOM 590 N SER A 41 8.149 -12.674 16.018 1.00 0.00 N ATOM 591 CA SER A 41 7.466 -13.959 16.336 1.00 0.00 C ATOM 592 C SER A 41 5.958 -13.724 16.437 1.00 0.00 C ATOM 593 O SER A 41 5.163 -14.600 16.162 1.00 0.00 O ATOM 594 CB SER A 41 7.989 -14.498 17.667 1.00 0.00 C ATOM 595 OG SER A 41 7.699 -15.887 17.758 1.00 0.00 O ATOM 0 H SER A 41 8.705 -12.279 16.776 1.00 0.00 H new ATOM 0 HA SER A 41 7.668 -14.683 15.547 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.064 -14.334 17.742 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.526 -13.963 18.496 1.00 0.00 H new ATOM 0 HG SER A 41 8.035 -16.236 18.610 1.00 0.00 H new ATOM 601 N GLY A 42 5.557 -12.546 16.832 1.00 0.00 N ATOM 602 CA GLY A 42 4.101 -12.246 16.922 1.00 0.00 C ATOM 603 C GLY A 42 3.715 -12.012 18.383 1.00 0.00 C ATOM 604 O GLY A 42 2.551 -11.931 18.723 1.00 0.00 O ATOM 0 H GLY A 42 6.175 -11.779 17.096 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.864 -11.364 16.327 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.523 -13.073 16.511 1.00 0.00 H new ATOM 608 N LYS A 43 4.683 -11.906 19.252 1.00 0.00 N ATOM 609 CA LYS A 43 4.371 -11.670 20.690 1.00 0.00 C ATOM 610 C LYS A 43 3.926 -10.219 20.885 1.00 0.00 C ATOM 611 O LYS A 43 4.426 -9.316 20.246 1.00 0.00 O ATOM 612 CB LYS A 43 5.620 -11.937 21.533 1.00 0.00 C ATOM 613 CG LYS A 43 5.210 -12.213 22.980 1.00 0.00 C ATOM 614 CD LYS A 43 6.406 -12.776 23.752 1.00 0.00 C ATOM 615 CE LYS A 43 5.988 -13.081 25.191 1.00 0.00 C ATOM 616 NZ LYS A 43 5.578 -11.818 25.867 1.00 0.00 N ATOM 0 H LYS A 43 5.676 -11.973 19.028 1.00 0.00 H new ATOM 0 HA LYS A 43 3.570 -12.341 21.002 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.168 -12.789 21.130 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.290 -11.078 21.491 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.859 -11.295 23.451 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.381 -12.921 23.006 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.770 -13.682 23.268 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.227 -12.059 23.745 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.164 -13.794 25.198 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.814 -13.543 25.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.199 -11.644 26.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.655 -11.025 25.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.594 -11.902 26.192 1.00 0.00 H new ATOM 630 N LYS A 44 2.988 -9.990 21.764 1.00 0.00 N ATOM 631 CA LYS A 44 2.478 -8.604 21.964 1.00 0.00 C ATOM 632 C LYS A 44 3.178 -7.972 23.167 1.00 0.00 C ATOM 633 O LYS A 44 3.427 -8.620 24.164 1.00 0.00 O ATOM 634 CB LYS A 44 0.969 -8.649 22.217 1.00 0.00 C ATOM 635 CG LYS A 44 0.451 -7.231 22.466 1.00 0.00 C ATOM 636 CD LYS A 44 -1.068 -7.265 22.640 1.00 0.00 C ATOM 637 CE LYS A 44 -1.589 -5.845 22.867 1.00 0.00 C ATOM 638 NZ LYS A 44 -3.079 -5.855 22.854 1.00 0.00 N ATOM 0 H LYS A 44 2.554 -10.702 22.351 1.00 0.00 H new ATOM 0 HA LYS A 44 2.680 -8.009 21.073 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.459 -9.089 21.360 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.752 -9.283 23.077 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.920 -6.812 23.356 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.717 -6.583 21.631 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.536 -7.698 21.756 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.333 -7.900 23.485 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.226 -5.461 23.820 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.212 -5.179 22.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.434 -4.890 23.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.416 -6.205 21.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.429 -6.477 23.610 1.00 0.00 H new ATOM 652 N PHE A 45 3.501 -6.710 23.083 1.00 0.00 N ATOM 653 CA PHE A 45 4.165 -6.032 24.231 1.00 0.00 C ATOM 654 C PHE A 45 3.440 -4.720 24.538 1.00 0.00 C ATOM 655 O PHE A 45 2.634 -4.248 23.761 1.00 0.00 O ATOM 656 CB PHE A 45 5.624 -5.737 23.876 1.00 0.00 C ATOM 657 CG PHE A 45 6.334 -7.029 23.552 1.00 0.00 C ATOM 658 CD1 PHE A 45 6.243 -8.116 24.429 1.00 0.00 C ATOM 659 CD2 PHE A 45 7.084 -7.139 22.376 1.00 0.00 C ATOM 660 CE1 PHE A 45 6.903 -9.315 24.128 1.00 0.00 C ATOM 661 CE2 PHE A 45 7.743 -8.337 22.075 1.00 0.00 C ATOM 662 CZ PHE A 45 7.653 -9.424 22.952 1.00 0.00 C ATOM 0 H PHE A 45 3.333 -6.120 22.268 1.00 0.00 H new ATOM 0 HA PHE A 45 4.128 -6.681 25.106 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.672 -5.059 23.024 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.118 -5.237 24.709 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.665 -8.031 25.337 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.155 -6.300 21.700 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.833 -10.155 24.804 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.321 -8.422 21.166 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.163 -10.348 22.721 1.00 0.00 H new ATOM 672 N ARG A 46 3.719 -4.128 25.667 1.00 0.00 N ATOM 673 CA ARG A 46 3.052 -2.843 26.021 1.00 0.00 C ATOM 674 C ARG A 46 4.042 -1.941 26.759 1.00 0.00 C ATOM 675 O ARG A 46 4.524 -2.272 27.824 1.00 0.00 O ATOM 676 CB ARG A 46 1.847 -3.125 26.923 1.00 0.00 C ATOM 677 CG ARG A 46 1.243 -4.482 26.559 1.00 0.00 C ATOM 678 CD ARG A 46 -0.026 -4.713 27.381 1.00 0.00 C ATOM 679 NE ARG A 46 0.337 -4.901 28.814 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.595 -4.907 29.727 1.00 0.00 C ATOM 681 NH1 ARG A 46 -1.845 -4.749 29.386 1.00 0.00 N ATOM 682 NH2 ARG A 46 -0.277 -5.071 30.982 1.00 0.00 N ATOM 0 H ARG A 46 4.380 -4.479 26.360 1.00 0.00 H new ATOM 0 HA ARG A 46 2.716 -2.345 25.111 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.153 -3.120 27.969 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.100 -2.340 26.806 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.010 -4.515 25.495 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.964 -5.276 26.752 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.701 -3.864 27.274 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.557 -5.590 27.011 1.00 0.00 H new ATOM 0 HE ARG A 46 1.314 -5.025 29.081 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.094 -4.621 28.405 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.573 -4.754 30.100 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.700 -5.194 31.249 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.005 -5.076 31.696 1.00 0.00 H new ATOM 696 N SER A 47 4.350 -0.802 26.202 1.00 0.00 N ATOM 697 CA SER A 47 5.256 0.151 26.904 1.00 0.00 C ATOM 698 C SER A 47 6.701 -0.113 26.479 1.00 0.00 C ATOM 699 O SER A 47 7.023 -1.161 25.954 1.00 0.00 O ATOM 700 CB SER A 47 5.126 -0.042 28.415 1.00 0.00 C ATOM 701 OG SER A 47 5.457 1.173 29.074 1.00 0.00 O ATOM 0 H SER A 47 4.014 -0.490 25.291 1.00 0.00 H new ATOM 0 HA SER A 47 4.981 1.173 26.643 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.109 -0.341 28.669 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.787 -0.842 28.749 1.00 0.00 H new ATOM 0 HG SER A 47 5.373 1.053 30.043 1.00 0.00 H new ATOM 707 N LYS A 48 7.576 0.831 26.700 1.00 0.00 N ATOM 708 CA LYS A 48 8.993 0.646 26.278 1.00 0.00 C ATOM 709 C LYS A 48 9.650 -0.428 27.147 1.00 0.00 C ATOM 710 O LYS A 48 10.359 -1.285 26.659 1.00 0.00 O ATOM 711 CB LYS A 48 9.748 1.968 26.441 1.00 0.00 C ATOM 712 CG LYS A 48 11.254 1.699 26.441 1.00 0.00 C ATOM 713 CD LYS A 48 11.659 1.063 25.110 1.00 0.00 C ATOM 714 CE LYS A 48 13.185 1.047 24.994 1.00 0.00 C ATOM 715 NZ LYS A 48 13.688 2.446 24.876 1.00 0.00 N ATOM 0 H LYS A 48 7.370 1.721 27.154 1.00 0.00 H new ATOM 0 HA LYS A 48 9.024 0.335 25.234 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.489 2.649 25.630 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.455 2.454 27.371 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.800 2.630 26.592 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.516 1.038 27.267 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.268 0.047 25.047 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.227 1.623 24.281 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.622 0.564 25.868 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.488 0.465 24.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.312 2.522 24.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.884 3.096 24.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.219 2.697 25.734 1.00 0.00 H new ATOM 729 N PRO A 49 9.414 -0.374 28.430 1.00 0.00 N ATOM 730 CA PRO A 49 9.985 -1.353 29.398 1.00 0.00 C ATOM 731 C PRO A 49 9.765 -2.804 28.956 1.00 0.00 C ATOM 732 O PRO A 49 10.621 -3.649 29.123 1.00 0.00 O ATOM 733 CB PRO A 49 9.225 -1.068 30.693 1.00 0.00 C ATOM 734 CG PRO A 49 8.778 0.353 30.588 1.00 0.00 C ATOM 735 CD PRO A 49 8.572 0.631 29.096 1.00 0.00 C ATOM 0 HA PRO A 49 11.065 -1.244 29.494 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.374 -1.740 30.805 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.864 -1.215 31.564 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.854 0.512 31.144 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.524 1.027 31.010 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.525 0.527 28.811 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.875 1.644 28.833 1.00 0.00 H new ATOM 743 N GLN A 50 8.624 -3.097 28.396 1.00 0.00 N ATOM 744 CA GLN A 50 8.349 -4.491 27.950 1.00 0.00 C ATOM 745 C GLN A 50 9.152 -4.792 26.682 1.00 0.00 C ATOM 746 O GLN A 50 9.823 -5.800 26.585 1.00 0.00 O ATOM 747 CB GLN A 50 6.856 -4.649 27.655 1.00 0.00 C ATOM 748 CG GLN A 50 6.478 -6.131 27.710 1.00 0.00 C ATOM 749 CD GLN A 50 7.432 -6.934 26.824 1.00 0.00 C ATOM 750 OE1 GLN A 50 7.715 -6.546 25.707 1.00 0.00 O ATOM 751 NE2 GLN A 50 7.944 -8.045 27.277 1.00 0.00 N ATOM 0 H GLN A 50 7.870 -2.431 28.228 1.00 0.00 H new ATOM 0 HA GLN A 50 8.640 -5.186 28.738 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.270 -4.086 28.381 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.624 -4.240 26.672 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.528 -6.492 28.737 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.450 -6.268 27.374 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.707 -8.371 28.214 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.581 -8.588 26.694 1.00 0.00 H new ATOM 760 N LEU A 51 9.088 -3.924 25.709 1.00 0.00 N ATOM 761 CA LEU A 51 9.859 -4.154 24.454 1.00 0.00 C ATOM 762 C LEU A 51 11.357 -4.143 24.764 1.00 0.00 C ATOM 763 O LEU A 51 12.106 -4.972 24.288 1.00 0.00 O ATOM 764 CB LEU A 51 9.538 -3.046 23.449 1.00 0.00 C ATOM 765 CG LEU A 51 10.449 -3.184 22.228 1.00 0.00 C ATOM 766 CD1 LEU A 51 10.286 -4.579 21.623 1.00 0.00 C ATOM 767 CD2 LEU A 51 10.068 -2.130 21.187 1.00 0.00 C ATOM 0 H LEU A 51 8.536 -3.067 25.729 1.00 0.00 H new ATOM 0 HA LEU A 51 9.584 -5.120 24.031 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.493 -3.108 23.145 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.678 -2.069 23.912 1.00 0.00 H new ATOM 0 HG LEU A 51 11.486 -3.039 22.531 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.935 -4.676 20.753 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.557 -5.331 22.364 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.249 -4.725 21.320 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.717 -2.227 20.316 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.031 -2.275 20.885 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.185 -1.135 21.617 1.00 0.00 H new ATOM 779 N ALA A 52 11.801 -3.209 25.561 1.00 0.00 N ATOM 780 CA ALA A 52 13.250 -3.150 25.906 1.00 0.00 C ATOM 781 C ALA A 52 13.691 -4.490 26.497 1.00 0.00 C ATOM 782 O ALA A 52 14.752 -4.996 26.190 1.00 0.00 O ATOM 783 CB ALA A 52 13.483 -2.039 26.932 1.00 0.00 C ATOM 0 H ALA A 52 11.223 -2.485 25.988 1.00 0.00 H new ATOM 0 HA ALA A 52 13.829 -2.943 25.006 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.542 -1.994 27.186 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.170 -1.084 26.511 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.903 -2.247 27.831 1.00 0.00 H new ATOM 789 N ARG A 53 12.886 -5.068 27.347 1.00 0.00 N ATOM 790 CA ARG A 53 13.263 -6.371 27.963 1.00 0.00 C ATOM 791 C ARG A 53 13.348 -7.446 26.878 1.00 0.00 C ATOM 792 O ARG A 53 14.218 -8.294 26.900 1.00 0.00 O ATOM 793 CB ARG A 53 12.206 -6.769 28.995 1.00 0.00 C ATOM 794 CG ARG A 53 12.635 -8.062 29.690 1.00 0.00 C ATOM 795 CD ARG A 53 11.586 -8.457 30.730 1.00 0.00 C ATOM 796 NE ARG A 53 12.006 -9.717 31.405 1.00 0.00 N ATOM 797 CZ ARG A 53 11.397 -10.110 32.491 1.00 0.00 C ATOM 798 NH1 ARG A 53 10.415 -9.402 32.980 1.00 0.00 N ATOM 799 NH2 ARG A 53 11.769 -11.210 33.085 1.00 0.00 N ATOM 0 H ARG A 53 11.984 -4.694 27.641 1.00 0.00 H new ATOM 0 HA ARG A 53 14.232 -6.275 28.452 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.081 -5.973 29.729 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.241 -6.908 28.508 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.753 -8.859 28.956 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.604 -7.925 30.170 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.468 -7.660 31.464 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.617 -8.594 30.251 1.00 0.00 H new ATOM 0 HE ARG A 53 12.769 -10.273 31.019 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.124 -8.543 32.514 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.939 -9.708 33.828 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.535 -11.763 32.701 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.294 -11.517 33.933 1.00 0.00 H new ATOM 813 N TYR A 54 12.454 -7.419 25.929 1.00 0.00 N ATOM 814 CA TYR A 54 12.473 -8.455 24.858 1.00 0.00 C ATOM 815 C TYR A 54 13.765 -8.327 24.047 1.00 0.00 C ATOM 816 O TYR A 54 14.459 -9.295 23.809 1.00 0.00 O ATOM 817 CB TYR A 54 11.270 -8.258 23.934 1.00 0.00 C ATOM 818 CG TYR A 54 11.276 -9.324 22.866 1.00 0.00 C ATOM 819 CD1 TYR A 54 10.778 -10.602 23.150 1.00 0.00 C ATOM 820 CD2 TYR A 54 11.778 -9.036 21.592 1.00 0.00 C ATOM 821 CE1 TYR A 54 10.784 -11.591 22.160 1.00 0.00 C ATOM 822 CE2 TYR A 54 11.782 -10.026 20.601 1.00 0.00 C ATOM 823 CZ TYR A 54 11.286 -11.303 20.885 1.00 0.00 C ATOM 824 OH TYR A 54 11.290 -12.278 19.909 1.00 0.00 O ATOM 0 H TYR A 54 11.711 -6.725 25.849 1.00 0.00 H new ATOM 0 HA TYR A 54 12.424 -9.445 25.311 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.345 -8.309 24.508 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.307 -7.269 23.476 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.389 -10.824 24.133 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.162 -8.051 21.373 1.00 0.00 H new ATOM 0 HE1 TYR A 54 10.401 -12.577 22.379 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.168 -9.803 19.617 1.00 0.00 H new ATOM 0 HH TYR A 54 11.671 -11.913 19.083 1.00 0.00 H new ATOM 834 N LEU A 55 14.092 -7.138 23.620 1.00 0.00 N ATOM 835 CA LEU A 55 15.327 -6.953 22.806 1.00 0.00 C ATOM 836 C LEU A 55 16.559 -7.182 23.684 1.00 0.00 C ATOM 837 O LEU A 55 17.617 -7.540 23.204 1.00 0.00 O ATOM 838 CB LEU A 55 15.358 -5.530 22.245 1.00 0.00 C ATOM 839 CG LEU A 55 14.272 -5.377 21.179 1.00 0.00 C ATOM 840 CD1 LEU A 55 13.872 -3.905 21.063 1.00 0.00 C ATOM 841 CD2 LEU A 55 14.809 -5.866 19.832 1.00 0.00 C ATOM 0 H LEU A 55 13.558 -6.288 23.799 1.00 0.00 H new ATOM 0 HA LEU A 55 15.330 -7.669 21.984 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.200 -4.808 23.046 1.00 0.00 H new ATOM 0 HB3 LEU A 55 16.337 -5.319 21.815 1.00 0.00 H new ATOM 0 HG LEU A 55 13.401 -5.968 21.461 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.098 -3.797 20.303 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.490 -3.555 22.022 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.742 -3.313 20.781 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.036 -5.758 19.071 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.680 -5.274 19.551 1.00 0.00 H new ATOM 0 HD23 LEU A 55 15.094 -6.915 19.913 1.00 0.00 H new ATOM 853 N GLY A 56 16.432 -6.979 24.966 1.00 0.00 N ATOM 854 CA GLY A 56 17.597 -7.190 25.872 1.00 0.00 C ATOM 855 C GLY A 56 18.675 -6.147 25.570 1.00 0.00 C ATOM 856 O GLY A 56 18.498 -5.281 24.737 1.00 0.00 O ATOM 0 H GLY A 56 15.573 -6.676 25.426 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.281 -7.111 26.912 1.00 0.00 H new ATOM 0 HA3 GLY A 56 17.999 -8.194 25.736 1.00 0.00 H new ATOM 860 N ASN A 57 19.791 -6.221 26.243 1.00 0.00 N ATOM 861 CA ASN A 57 20.879 -5.235 25.991 1.00 0.00 C ATOM 862 C ASN A 57 21.553 -5.549 24.655 1.00 0.00 C ATOM 863 O ASN A 57 22.751 -5.414 24.505 1.00 0.00 O ATOM 864 CB ASN A 57 21.914 -5.321 27.115 1.00 0.00 C ATOM 865 CG ASN A 57 21.265 -4.914 28.440 1.00 0.00 C ATOM 866 OD1 ASN A 57 20.498 -3.973 28.490 1.00 0.00 O ATOM 867 ND2 ASN A 57 21.542 -5.589 29.522 1.00 0.00 N ATOM 0 H ASN A 57 19.996 -6.921 26.956 1.00 0.00 H new ATOM 0 HA ASN A 57 20.458 -4.230 25.959 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.305 -6.336 27.186 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.759 -4.668 26.896 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.115 -5.327 30.410 1.00 0.00 H new ATOM 0 HD22 ASN A 57 22.186 -6.379 29.479 1.00 0.00 H new ATOM 874 N ALA A 58 20.792 -5.967 23.680 1.00 0.00 N ATOM 875 CA ALA A 58 21.389 -6.288 22.353 1.00 0.00 C ATOM 876 C ALA A 58 21.439 -5.022 21.496 1.00 0.00 C ATOM 877 O ALA A 58 22.211 -4.921 20.564 1.00 0.00 O ATOM 878 CB ALA A 58 20.536 -7.347 21.652 1.00 0.00 C ATOM 0 H ALA A 58 19.783 -6.100 23.745 1.00 0.00 H new ATOM 0 HA ALA A 58 22.400 -6.671 22.493 1.00 0.00 H new ATOM 0 HB1 ALA A 58 20.973 -7.582 20.681 1.00 0.00 H new ATOM 0 HB2 ALA A 58 20.502 -8.249 22.262 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.525 -6.965 21.512 1.00 0.00 H new ATOM 884 N VAL A 59 20.619 -4.055 21.803 1.00 0.00 N ATOM 885 CA VAL A 59 20.633 -2.788 21.018 1.00 0.00 C ATOM 886 C VAL A 59 20.309 -1.612 21.942 1.00 0.00 C ATOM 887 O VAL A 59 19.612 -1.758 22.927 1.00 0.00 O ATOM 888 CB VAL A 59 19.585 -2.866 19.905 1.00 0.00 C ATOM 889 CG1 VAL A 59 19.356 -1.472 19.320 1.00 0.00 C ATOM 890 CG2 VAL A 59 20.081 -3.805 18.804 1.00 0.00 C ATOM 0 H VAL A 59 19.940 -4.087 22.563 1.00 0.00 H new ATOM 0 HA VAL A 59 21.620 -2.644 20.578 1.00 0.00 H new ATOM 0 HB VAL A 59 18.649 -3.246 20.314 1.00 0.00 H new ATOM 0 HG11 VAL A 59 18.610 -1.528 18.528 1.00 0.00 H new ATOM 0 HG12 VAL A 59 19.003 -0.802 20.104 1.00 0.00 H new ATOM 0 HG13 VAL A 59 20.292 -1.091 18.911 1.00 0.00 H new ATOM 0 HG21 VAL A 59 19.336 -3.861 18.011 1.00 0.00 H new ATOM 0 HG22 VAL A 59 21.017 -3.424 18.396 1.00 0.00 H new ATOM 0 HG23 VAL A 59 20.244 -4.799 19.220 1.00 0.00 H new ATOM 900 N ASP A 60 20.809 -0.447 21.633 1.00 0.00 N ATOM 901 CA ASP A 60 20.536 0.734 22.500 1.00 0.00 C ATOM 902 C ASP A 60 19.245 1.415 22.044 1.00 0.00 C ATOM 903 O ASP A 60 19.189 2.021 20.992 1.00 0.00 O ATOM 904 CB ASP A 60 21.699 1.722 22.393 1.00 0.00 C ATOM 905 CG ASP A 60 21.942 2.071 20.924 1.00 0.00 C ATOM 906 OD1 ASP A 60 21.305 1.463 20.078 1.00 0.00 O ATOM 907 OD2 ASP A 60 22.761 2.939 20.668 1.00 0.00 O ATOM 0 H ASP A 60 21.394 -0.262 20.818 1.00 0.00 H new ATOM 0 HA ASP A 60 20.428 0.409 23.535 1.00 0.00 H new ATOM 0 HB2 ASP A 60 21.475 2.626 22.960 1.00 0.00 H new ATOM 0 HB3 ASP A 60 22.599 1.288 22.828 1.00 0.00 H new ATOM 912 N LEU A 61 18.205 1.320 22.826 1.00 0.00 N ATOM 913 CA LEU A 61 16.925 1.983 22.448 1.00 0.00 C ATOM 914 C LEU A 61 16.816 3.328 23.168 1.00 0.00 C ATOM 915 O LEU A 61 15.771 3.948 23.192 1.00 0.00 O ATOM 916 CB LEU A 61 15.749 1.091 22.854 1.00 0.00 C ATOM 917 CG LEU A 61 15.927 -0.299 22.240 1.00 0.00 C ATOM 918 CD1 LEU A 61 14.977 -1.284 22.923 1.00 0.00 C ATOM 919 CD2 LEU A 61 15.610 -0.239 20.745 1.00 0.00 C ATOM 0 H LEU A 61 18.186 0.812 23.710 1.00 0.00 H new ATOM 0 HA LEU A 61 16.904 2.144 21.370 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.694 1.016 23.940 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.811 1.532 22.517 1.00 0.00 H new ATOM 0 HG LEU A 61 16.956 -0.630 22.381 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.104 -2.274 22.486 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.202 -1.327 23.989 1.00 0.00 H new ATOM 0 HD13 LEU A 61 13.948 -0.954 22.782 1.00 0.00 H new ATOM 0 HD21 LEU A 61 15.736 -1.229 20.306 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.581 0.092 20.604 1.00 0.00 H new ATOM 0 HD23 LEU A 61 16.286 0.463 20.258 1.00 0.00 H new ATOM 931 N SER A 62 17.888 3.786 23.756 1.00 0.00 N ATOM 932 CA SER A 62 17.842 5.088 24.479 1.00 0.00 C ATOM 933 C SER A 62 17.252 6.161 23.561 1.00 0.00 C ATOM 934 O SER A 62 16.522 7.030 23.996 1.00 0.00 O ATOM 935 CB SER A 62 19.259 5.493 24.888 1.00 0.00 C ATOM 936 OG SER A 62 19.772 4.539 25.809 1.00 0.00 O ATOM 0 H SER A 62 18.793 3.315 23.767 1.00 0.00 H new ATOM 0 HA SER A 62 17.220 4.988 25.368 1.00 0.00 H new ATOM 0 HB2 SER A 62 19.902 5.550 24.009 1.00 0.00 H new ATOM 0 HB3 SER A 62 19.250 6.485 25.341 1.00 0.00 H new ATOM 0 HG SER A 62 20.681 4.794 26.072 1.00 0.00 H new ATOM 942 N CYS A 63 17.559 6.106 22.294 1.00 0.00 N ATOM 943 CA CYS A 63 17.013 7.122 21.351 1.00 0.00 C ATOM 944 C CYS A 63 15.608 6.707 20.913 1.00 0.00 C ATOM 945 O CYS A 63 15.044 7.264 19.991 1.00 0.00 O ATOM 946 CB CYS A 63 17.922 7.219 20.124 1.00 0.00 C ATOM 947 SG CYS A 63 19.552 7.822 20.628 1.00 0.00 S ATOM 0 H CYS A 63 18.164 5.402 21.871 1.00 0.00 H new ATOM 0 HA CYS A 63 16.968 8.091 21.847 1.00 0.00 H new ATOM 0 HB2 CYS A 63 18.015 6.243 19.648 1.00 0.00 H new ATOM 0 HB3 CYS A 63 17.485 7.892 19.387 1.00 0.00 H new ATOM 0 HG CYS A 63 20.326 7.903 19.587 1.00 0.00 H new ATOM 953 N PHE A 64 15.035 5.732 21.566 1.00 0.00 N ATOM 954 CA PHE A 64 13.665 5.287 21.189 1.00 0.00 C ATOM 955 C PHE A 64 12.637 5.990 22.079 1.00 0.00 C ATOM 956 O PHE A 64 12.576 5.764 23.271 1.00 0.00 O ATOM 957 CB PHE A 64 13.551 3.773 21.378 1.00 0.00 C ATOM 958 CG PHE A 64 12.304 3.272 20.690 1.00 0.00 C ATOM 959 CD1 PHE A 64 11.065 3.357 21.337 1.00 0.00 C ATOM 960 CD2 PHE A 64 12.386 2.722 19.405 1.00 0.00 C ATOM 961 CE1 PHE A 64 9.909 2.892 20.699 1.00 0.00 C ATOM 962 CE2 PHE A 64 11.230 2.258 18.767 1.00 0.00 C ATOM 963 CZ PHE A 64 9.991 2.343 19.414 1.00 0.00 C ATOM 0 H PHE A 64 15.457 5.225 22.344 1.00 0.00 H new ATOM 0 HA PHE A 64 13.476 5.539 20.146 1.00 0.00 H new ATOM 0 HB2 PHE A 64 14.430 3.277 20.967 1.00 0.00 H new ATOM 0 HB3 PHE A 64 13.516 3.530 22.440 1.00 0.00 H new ATOM 0 HD1 PHE A 64 11.001 3.781 22.328 1.00 0.00 H new ATOM 0 HD2 PHE A 64 13.342 2.656 18.906 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.954 2.957 21.198 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.293 1.834 17.776 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.099 1.985 18.922 1.00 0.00 H new ATOM 973 N ASP A 65 11.829 6.843 21.509 1.00 0.00 N ATOM 974 CA ASP A 65 10.820 7.573 22.326 1.00 0.00 C ATOM 975 C ASP A 65 9.413 7.139 21.905 1.00 0.00 C ATOM 976 O ASP A 65 8.683 7.887 21.287 1.00 0.00 O ATOM 977 CB ASP A 65 10.977 9.079 22.105 1.00 0.00 C ATOM 978 CG ASP A 65 11.582 9.719 23.356 1.00 0.00 C ATOM 979 OD1 ASP A 65 11.190 9.328 24.444 1.00 0.00 O ATOM 980 OD2 ASP A 65 12.425 10.587 23.204 1.00 0.00 O ATOM 0 H ASP A 65 11.825 7.065 20.513 1.00 0.00 H new ATOM 0 HA ASP A 65 10.971 7.343 23.381 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.617 9.266 21.243 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.008 9.528 21.886 1.00 0.00 H new ATOM 985 N PHE A 66 9.030 5.938 22.237 1.00 0.00 N ATOM 986 CA PHE A 66 7.656 5.473 21.895 1.00 0.00 C ATOM 987 C PHE A 66 7.428 5.621 20.389 1.00 0.00 C ATOM 988 O PHE A 66 8.355 5.575 19.604 1.00 0.00 O ATOM 989 CB PHE A 66 6.629 6.320 22.650 1.00 0.00 C ATOM 990 CG PHE A 66 6.803 6.117 24.136 1.00 0.00 C ATOM 991 CD1 PHE A 66 6.342 4.942 24.741 1.00 0.00 C ATOM 992 CD2 PHE A 66 7.427 7.104 24.908 1.00 0.00 C ATOM 993 CE1 PHE A 66 6.505 4.754 26.119 1.00 0.00 C ATOM 994 CE2 PHE A 66 7.590 6.916 26.286 1.00 0.00 C ATOM 995 CZ PHE A 66 7.129 5.741 26.892 1.00 0.00 C ATOM 0 H PHE A 66 9.608 5.258 22.730 1.00 0.00 H new ATOM 0 HA PHE A 66 7.545 4.427 22.179 1.00 0.00 H new ATOM 0 HB2 PHE A 66 6.755 7.373 22.399 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.619 6.040 22.350 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.861 4.181 24.145 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.783 8.010 24.441 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.149 3.847 26.586 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.071 7.678 26.882 1.00 0.00 H new ATOM 0 HZ PHE A 66 7.255 5.596 27.955 1.00 0.00 H new ATOM 1005 N ARG A 67 6.202 5.795 19.977 1.00 0.00 N ATOM 1006 CA ARG A 67 5.910 5.887 18.520 1.00 0.00 C ATOM 1007 C ARG A 67 7.071 6.588 17.811 1.00 0.00 C ATOM 1008 O ARG A 67 7.412 6.266 16.690 1.00 0.00 O ATOM 1009 CB ARG A 67 4.623 6.687 18.306 1.00 0.00 C ATOM 1010 CG ARG A 67 4.420 6.938 16.810 1.00 0.00 C ATOM 1011 CD ARG A 67 3.061 7.601 16.584 1.00 0.00 C ATOM 1012 NE ARG A 67 1.976 6.630 16.897 1.00 0.00 N ATOM 1013 CZ ARG A 67 1.819 5.566 16.158 1.00 0.00 C ATOM 1014 NH1 ARG A 67 2.614 5.352 15.145 1.00 0.00 N ATOM 1015 NH2 ARG A 67 0.869 4.715 16.432 1.00 0.00 N ATOM 0 H ARG A 67 5.389 5.877 20.588 1.00 0.00 H new ATOM 0 HA ARG A 67 5.786 4.885 18.110 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.771 6.142 18.713 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.679 7.635 18.840 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.216 7.576 16.426 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.473 5.997 16.262 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.966 8.484 17.215 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.976 7.937 15.551 1.00 0.00 H new ATOM 0 HE ARG A 67 1.355 6.797 17.689 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.358 6.016 14.931 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.491 4.520 14.567 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.248 4.881 17.224 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.747 3.884 15.854 1.00 0.00 H new ATOM 1029 N THR A 68 7.681 7.545 18.455 1.00 0.00 N ATOM 1030 CA THR A 68 8.782 8.303 17.797 1.00 0.00 C ATOM 1031 C THR A 68 9.909 7.339 17.417 1.00 0.00 C ATOM 1032 O THR A 68 10.466 7.414 16.341 1.00 0.00 O ATOM 1033 CB THR A 68 9.320 9.362 18.761 1.00 0.00 C ATOM 1034 OG1 THR A 68 10.074 8.728 19.785 1.00 0.00 O ATOM 1035 CG2 THR A 68 8.152 10.129 19.383 1.00 0.00 C ATOM 0 H THR A 68 7.464 7.835 19.409 1.00 0.00 H new ATOM 0 HA THR A 68 8.402 8.790 16.899 1.00 0.00 H new ATOM 0 HB THR A 68 9.959 10.058 18.218 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.499 8.567 20.562 1.00 0.00 H new ATOM 0 HG21 THR A 68 8.536 10.883 20.070 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.576 10.615 18.596 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.510 9.436 19.927 1.00 0.00 H new ATOM 1043 N GLY A 69 10.248 6.434 18.295 1.00 0.00 N ATOM 1044 CA GLY A 69 11.280 5.416 17.953 1.00 0.00 C ATOM 1045 C GLY A 69 12.308 6.028 16.999 1.00 0.00 C ATOM 1046 O GLY A 69 12.215 5.883 15.796 1.00 0.00 O ATOM 0 H GLY A 69 9.855 6.356 19.233 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.774 5.065 18.859 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.810 4.548 17.490 1.00 0.00 H new ATOM 1050 N LYS A 70 13.287 6.711 17.526 1.00 0.00 N ATOM 1051 CA LYS A 70 14.316 7.334 16.647 1.00 0.00 C ATOM 1052 C LYS A 70 15.700 6.802 17.027 1.00 0.00 C ATOM 1053 O LYS A 70 15.911 6.318 18.122 1.00 0.00 O ATOM 1054 CB LYS A 70 14.288 8.854 16.825 1.00 0.00 C ATOM 1055 CG LYS A 70 12.898 9.383 16.468 1.00 0.00 C ATOM 1056 CD LYS A 70 12.668 9.241 14.963 1.00 0.00 C ATOM 1057 CE LYS A 70 11.481 10.110 14.542 1.00 0.00 C ATOM 1058 NZ LYS A 70 11.335 10.068 13.060 1.00 0.00 N ATOM 0 H LYS A 70 13.419 6.864 18.526 1.00 0.00 H new ATOM 0 HA LYS A 70 14.103 7.086 15.607 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.535 9.115 17.854 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.041 9.319 16.189 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.135 8.831 17.017 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.809 10.428 16.763 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.563 9.541 14.418 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.476 8.198 14.711 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.568 9.753 15.018 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.633 11.137 14.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.528 10.659 12.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.203 10.429 12.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.172 9.087 12.755 1.00 0.00 H new ATOM 1072 N MET A 71 16.645 6.887 16.132 1.00 0.00 N ATOM 1073 CA MET A 71 18.013 6.386 16.442 1.00 0.00 C ATOM 1074 C MET A 71 19.028 7.514 16.241 1.00 0.00 C ATOM 1075 O MET A 71 19.059 8.157 15.211 1.00 0.00 O ATOM 1076 CB MET A 71 18.354 5.221 15.510 1.00 0.00 C ATOM 1077 CG MET A 71 17.269 4.148 15.615 1.00 0.00 C ATOM 1078 SD MET A 71 17.957 2.544 15.138 1.00 0.00 S ATOM 1079 CE MET A 71 18.241 1.913 16.810 1.00 0.00 C ATOM 0 H MET A 71 16.529 7.282 15.199 1.00 0.00 H new ATOM 0 HA MET A 71 18.048 6.046 17.477 1.00 0.00 H new ATOM 0 HB2 MET A 71 18.432 5.575 14.482 1.00 0.00 H new ATOM 0 HB3 MET A 71 19.323 4.800 15.777 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.885 4.102 16.634 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.428 4.402 14.969 1.00 0.00 H new ATOM 0 HE1 MET A 71 18.672 0.913 16.753 1.00 0.00 H new ATOM 0 HE2 MET A 71 18.928 2.575 17.337 1.00 0.00 H new ATOM 0 HE3 MET A 71 17.294 1.870 17.348 1.00 0.00 H new