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 Set 1.1: A 19 LYS NZ :NH3+ 146:sc= -3.57! (180deg=-5.95!) USER MOD Set 1.2: A 37 TYR OH : rot -26:sc= -2.63 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 86:sc= -5.98! USER MOD Single : A 18 LYS NZ :NH3+ 152:sc= -0.061 (180deg=-0.559) 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= 0.0141 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 150:sc= -2.18 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 100:sc= -0.858 USER MOD Single : A 41 SER OG : rot 20:sc= 0.6! USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.112) USER MOD Single : A 44 LYS NZ :NH3+ 138:sc= 0.44 (180deg=-0.154) USER MOD Single : A 47 SER OG : rot 105:sc= -0.763! USER MOD Single : A 48 LYS NZ :NH3+ -147:sc= -5.5! (180deg=-5.87!) USER MOD Single : A 50 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.16) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.185 K(o=-0.19,f=-2.4!) USER MOD Single : A 62 SER OG : rot 180:sc=-0.00116 USER MOD Single : A 63 CYS SG : rot -39:sc= -0.499 USER MOD Single : A 68 THR OG1 : rot -150:sc= 0.00483 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 142:sc= -0.135 (180deg=-2.39!) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -4.167 0.138 12.873 1.00 0.00 N ATOM 53 CA GLY A 6 -3.107 1.186 12.868 1.00 0.00 C ATOM 54 C GLY A 6 -1.737 0.526 13.034 1.00 0.00 C ATOM 55 O GLY A 6 -0.927 0.948 13.834 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.141 1.748 11.935 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.280 1.897 13.675 1.00 0.00 H new ATOM 59 N ARG A 7 -1.472 -0.508 12.283 1.00 0.00 N ATOM 60 CA ARG A 7 -0.157 -1.200 12.406 1.00 0.00 C ATOM 61 C ARG A 7 0.869 -0.511 11.505 1.00 0.00 C ATOM 62 O ARG A 7 0.586 -0.168 10.374 1.00 0.00 O ATOM 63 CB ARG A 7 -0.310 -2.661 11.980 1.00 0.00 C ATOM 64 CG ARG A 7 0.993 -3.414 12.261 1.00 0.00 C ATOM 65 CD ARG A 7 1.182 -4.515 11.217 1.00 0.00 C ATOM 66 NE ARG A 7 1.667 -3.914 9.942 1.00 0.00 N ATOM 67 CZ ARG A 7 2.126 -4.682 8.992 1.00 0.00 C ATOM 68 NH1 ARG A 7 2.161 -5.976 9.158 1.00 0.00 N ATOM 69 NH2 ARG A 7 2.551 -4.155 7.876 1.00 0.00 N ATOM 0 H ARG A 7 -2.108 -0.903 11.590 1.00 0.00 H new ATOM 0 HA ARG A 7 0.182 -1.156 13.441 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.134 -3.124 12.522 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.554 -2.718 10.919 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.837 -2.724 12.234 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.967 -3.847 13.261 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.897 -5.254 11.578 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.240 -5.038 11.050 1.00 0.00 H new ATOM 0 HE ARG A 7 1.640 -2.903 9.812 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.829 -6.387 10.031 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.520 -6.576 8.415 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.524 -3.144 7.747 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.910 -4.755 7.133 1.00 0.00 H new ATOM 83 N THR A 8 2.060 -0.306 11.996 1.00 0.00 N ATOM 84 CA THR A 8 3.102 0.366 11.169 1.00 0.00 C ATOM 85 C THR A 8 4.461 -0.286 11.435 1.00 0.00 C ATOM 86 O THR A 8 4.709 -0.817 12.500 1.00 0.00 O ATOM 87 CB THR A 8 3.168 1.850 11.538 1.00 0.00 C ATOM 88 OG1 THR A 8 3.634 1.984 12.873 1.00 0.00 O ATOM 89 CG2 THR A 8 1.775 2.470 11.416 1.00 0.00 C ATOM 0 H THR A 8 2.357 -0.575 12.934 1.00 0.00 H new ATOM 0 HA THR A 8 2.850 0.265 10.113 1.00 0.00 H new ATOM 0 HB THR A 8 3.852 2.363 10.862 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.678 2.934 13.110 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.823 3.527 11.679 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.419 2.367 10.391 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.089 1.959 12.091 1.00 0.00 H new ATOM 97 N ASP A 9 5.344 -0.251 10.475 1.00 0.00 N ATOM 98 CA ASP A 9 6.691 -0.855 10.679 1.00 0.00 C ATOM 99 C ASP A 9 7.537 0.071 11.556 1.00 0.00 C ATOM 100 O ASP A 9 7.285 1.257 11.649 1.00 0.00 O ATOM 101 CB ASP A 9 7.377 -1.042 9.325 1.00 0.00 C ATOM 102 CG ASP A 9 7.567 0.320 8.655 1.00 0.00 C ATOM 103 OD1 ASP A 9 7.378 1.320 9.327 1.00 0.00 O ATOM 104 OD2 ASP A 9 7.898 0.340 7.481 1.00 0.00 O ATOM 0 H ASP A 9 5.191 0.170 9.558 1.00 0.00 H new ATOM 0 HA ASP A 9 6.585 -1.823 11.169 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.342 -1.531 9.459 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.777 -1.692 8.688 1.00 0.00 H new ATOM 109 N CYS A 10 8.541 -0.459 12.200 1.00 0.00 N ATOM 110 CA CYS A 10 9.403 0.392 13.066 1.00 0.00 C ATOM 111 C CYS A 10 10.815 0.452 12.477 1.00 0.00 C ATOM 112 O CYS A 10 11.498 -0.548 12.375 1.00 0.00 O ATOM 113 CB CYS A 10 9.463 -0.207 14.473 1.00 0.00 C ATOM 114 SG CYS A 10 9.864 1.093 15.666 1.00 0.00 S ATOM 0 H CYS A 10 8.801 -1.445 12.163 1.00 0.00 H new ATOM 0 HA CYS A 10 8.986 1.398 13.117 1.00 0.00 H new ATOM 0 HB2 CYS A 10 8.507 -0.665 14.726 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.214 -0.996 14.512 1.00 0.00 H new ATOM 0 HG CYS A 10 8.773 1.696 16.034 1.00 0.00 H new ATOM 120 N PRO A 11 11.244 1.623 12.092 1.00 0.00 N ATOM 121 CA PRO A 11 12.583 1.829 11.470 1.00 0.00 C ATOM 122 C PRO A 11 13.721 1.693 12.486 1.00 0.00 C ATOM 123 O PRO A 11 14.849 1.407 12.135 1.00 0.00 O ATOM 124 CB PRO A 11 12.518 3.258 10.930 1.00 0.00 C ATOM 125 CG PRO A 11 11.485 3.951 11.756 1.00 0.00 C ATOM 126 CD PRO A 11 10.492 2.882 12.211 1.00 0.00 C ATOM 0 HA PRO A 11 12.791 1.083 10.703 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.485 3.754 11.015 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.247 3.266 9.874 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.943 4.443 12.614 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.981 4.724 11.176 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.162 3.054 13.235 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.599 2.874 11.585 1.00 0.00 H new ATOM 134 N ALA A 12 13.436 1.894 13.743 1.00 0.00 N ATOM 135 CA ALA A 12 14.499 1.770 14.779 1.00 0.00 C ATOM 136 C ALA A 12 14.754 0.290 15.074 1.00 0.00 C ATOM 137 O ALA A 12 15.705 -0.065 15.740 1.00 0.00 O ATOM 138 CB ALA A 12 14.048 2.475 16.061 1.00 0.00 C ATOM 0 H ALA A 12 12.512 2.139 14.098 1.00 0.00 H new ATOM 0 HA ALA A 12 15.417 2.231 14.414 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.826 2.384 16.819 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.866 3.529 15.852 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.130 2.014 16.426 1.00 0.00 H new ATOM 144 N LEU A 13 13.911 -0.576 14.581 1.00 0.00 N ATOM 145 CA LEU A 13 14.106 -2.031 14.835 1.00 0.00 C ATOM 146 C LEU A 13 14.242 -2.768 13.501 1.00 0.00 C ATOM 147 O LEU A 13 13.655 -2.387 12.508 1.00 0.00 O ATOM 148 CB LEU A 13 12.899 -2.581 15.599 1.00 0.00 C ATOM 149 CG LEU A 13 12.843 -1.947 16.990 1.00 0.00 C ATOM 150 CD1 LEU A 13 11.991 -0.678 16.939 1.00 0.00 C ATOM 151 CD2 LEU A 13 12.221 -2.939 17.977 1.00 0.00 C ATOM 0 H LEU A 13 13.097 -0.339 14.014 1.00 0.00 H new ATOM 0 HA LEU A 13 15.010 -2.179 15.426 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.981 -2.366 15.053 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.973 -3.665 15.685 1.00 0.00 H new ATOM 0 HG LEU A 13 13.852 -1.694 17.315 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.951 -0.226 17.930 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.432 0.028 16.236 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.981 -0.930 16.614 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.180 -2.489 18.969 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.212 -3.192 17.652 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.827 -3.844 18.014 1.00 0.00 H new ATOM 163 N PRO A 14 15.017 -3.818 13.484 1.00 0.00 N ATOM 164 CA PRO A 14 15.242 -4.638 12.258 1.00 0.00 C ATOM 165 C PRO A 14 13.952 -4.849 11.460 1.00 0.00 C ATOM 166 O PRO A 14 12.868 -4.864 12.008 1.00 0.00 O ATOM 167 CB PRO A 14 15.759 -5.974 12.797 1.00 0.00 C ATOM 168 CG PRO A 14 16.381 -5.659 14.118 1.00 0.00 C ATOM 169 CD PRO A 14 15.766 -4.337 14.638 1.00 0.00 C ATOM 0 HA PRO A 14 15.933 -4.152 11.570 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.947 -6.693 12.907 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.486 -6.416 12.116 1.00 0.00 H new ATOM 0 HG2 PRO A 14 16.199 -6.467 14.826 1.00 0.00 H new ATOM 0 HG3 PRO A 14 17.462 -5.561 14.016 1.00 0.00 H new ATOM 0 HD2 PRO A 14 15.113 -4.509 15.493 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.537 -3.638 14.961 1.00 0.00 H new ATOM 177 N PRO A 15 14.076 -5.010 10.171 1.00 0.00 N ATOM 178 CA PRO A 15 12.910 -5.215 9.266 1.00 0.00 C ATOM 179 C PRO A 15 11.969 -6.312 9.772 1.00 0.00 C ATOM 180 O PRO A 15 12.381 -7.427 10.027 1.00 0.00 O ATOM 181 CB PRO A 15 13.548 -5.628 7.940 1.00 0.00 C ATOM 182 CG PRO A 15 14.933 -5.069 7.973 1.00 0.00 C ATOM 183 CD PRO A 15 15.350 -5.014 9.435 1.00 0.00 C ATOM 0 HA PRO A 15 12.293 -4.320 9.192 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.565 -6.713 7.834 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.985 -5.233 7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.616 -5.695 7.399 1.00 0.00 H new ATOM 0 HG3 PRO A 15 14.960 -4.075 7.526 1.00 0.00 H new ATOM 0 HD2 PRO A 15 15.965 -5.872 9.707 1.00 0.00 H new ATOM 0 HD3 PRO A 15 15.937 -4.121 9.649 1.00 0.00 H new ATOM 191 N GLY A 16 10.710 -6.006 9.922 1.00 0.00 N ATOM 192 CA GLY A 16 9.743 -7.034 10.398 1.00 0.00 C ATOM 193 C GLY A 16 9.061 -6.542 11.677 1.00 0.00 C ATOM 194 O GLY A 16 7.915 -6.848 11.937 1.00 0.00 O ATOM 0 H GLY A 16 10.309 -5.087 9.735 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.997 -7.230 9.628 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.260 -7.974 10.588 1.00 0.00 H new ATOM 198 N TRP A 17 9.758 -5.781 12.476 1.00 0.00 N ATOM 199 CA TRP A 17 9.152 -5.274 13.739 1.00 0.00 C ATOM 200 C TRP A 17 7.924 -4.423 13.408 1.00 0.00 C ATOM 201 O TRP A 17 7.960 -3.577 12.537 1.00 0.00 O ATOM 202 CB TRP A 17 10.176 -4.421 14.490 1.00 0.00 C ATOM 203 CG TRP A 17 11.011 -5.301 15.366 1.00 0.00 C ATOM 204 CD1 TRP A 17 12.123 -5.960 14.970 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.819 -5.628 16.772 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.627 -6.670 16.044 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.858 -6.498 17.178 1.00 0.00 C ATOM 208 CE3 TRP A 17 9.854 -5.258 17.727 1.00 0.00 C ATOM 209 CZ2 TRP A 17 11.937 -6.984 18.483 1.00 0.00 C ATOM 210 CZ3 TRP A 17 9.931 -5.745 19.042 1.00 0.00 C ATOM 211 CH2 TRP A 17 10.971 -6.607 19.419 1.00 0.00 C ATOM 0 H TRP A 17 10.721 -5.489 12.308 1.00 0.00 H new ATOM 0 HA TRP A 17 8.854 -6.116 14.363 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.810 -3.887 13.782 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.667 -3.668 15.092 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.548 -5.936 13.977 1.00 0.00 H new ATOM 0 HE1 TRP A 17 13.465 -7.250 16.004 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.049 -4.595 17.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 12.740 -7.648 18.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 9.185 -5.454 19.767 1.00 0.00 H new ATOM 0 HH2 TRP A 17 11.025 -6.979 20.432 1.00 0.00 H new ATOM 222 N LYS A 18 6.837 -4.640 14.097 1.00 0.00 N ATOM 223 CA LYS A 18 5.603 -3.860 13.805 1.00 0.00 C ATOM 224 C LYS A 18 5.038 -3.292 15.109 1.00 0.00 C ATOM 225 O LYS A 18 5.287 -3.807 16.180 1.00 0.00 O ATOM 226 CB LYS A 18 4.563 -4.775 13.154 1.00 0.00 C ATOM 227 CG LYS A 18 5.270 -5.806 12.273 1.00 0.00 C ATOM 228 CD LYS A 18 4.229 -6.696 11.592 1.00 0.00 C ATOM 229 CE LYS A 18 4.869 -8.033 11.213 1.00 0.00 C ATOM 230 NZ LYS A 18 5.134 -8.825 12.446 1.00 0.00 N ATOM 0 H LYS A 18 6.751 -5.324 14.849 1.00 0.00 H new ATOM 0 HA LYS A 18 5.843 -3.042 13.126 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.975 -5.279 13.921 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.868 -4.186 12.556 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.879 -5.302 11.523 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.945 -6.414 12.876 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.384 -6.862 12.260 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.839 -6.202 10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.209 -8.588 10.546 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.799 -7.862 10.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.108 -9.840 12.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.072 -8.578 12.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.408 -8.611 13.159 1.00 0.00 H new ATOM 244 N LYS A 19 4.279 -2.234 15.026 1.00 0.00 N ATOM 245 CA LYS A 19 3.693 -1.640 16.261 1.00 0.00 C ATOM 246 C LYS A 19 2.336 -1.014 15.932 1.00 0.00 C ATOM 247 O LYS A 19 2.086 -0.597 14.819 1.00 0.00 O ATOM 248 CB LYS A 19 4.633 -0.561 16.804 1.00 0.00 C ATOM 249 CG LYS A 19 4.613 0.652 15.871 1.00 0.00 C ATOM 250 CD LYS A 19 5.710 1.633 16.284 1.00 0.00 C ATOM 251 CE LYS A 19 5.229 2.468 17.473 1.00 0.00 C ATOM 252 NZ LYS A 19 6.363 3.274 18.005 1.00 0.00 N ATOM 0 H LYS A 19 4.039 -1.756 14.158 1.00 0.00 H new ATOM 0 HA LYS A 19 3.562 -2.420 17.011 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.324 -0.266 17.807 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.646 -0.954 16.885 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.765 0.333 14.840 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.639 1.140 15.913 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.616 1.090 16.551 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.963 2.284 15.448 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.415 3.125 17.165 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.835 1.816 18.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.006 4.186 18.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.820 2.758 18.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.055 3.441 17.247 1.00 0.00 H new ATOM 266 N GLU A 20 1.456 -0.946 16.894 1.00 0.00 N ATOM 267 CA GLU A 20 0.110 -0.362 16.632 1.00 0.00 C ATOM 268 C GLU A 20 -0.173 0.741 17.653 1.00 0.00 C ATOM 269 O GLU A 20 0.409 0.779 18.719 1.00 0.00 O ATOM 270 CB GLU A 20 -0.953 -1.456 16.756 1.00 0.00 C ATOM 271 CG GLU A 20 -2.327 -0.872 16.423 1.00 0.00 C ATOM 272 CD GLU A 20 -3.376 -1.986 16.449 1.00 0.00 C ATOM 273 OE1 GLU A 20 -2.987 -3.140 16.384 1.00 0.00 O ATOM 274 OE2 GLU A 20 -4.550 -1.666 16.533 1.00 0.00 O ATOM 0 H GLU A 20 1.611 -1.269 17.849 1.00 0.00 H new ATOM 0 HA GLU A 20 0.084 0.057 15.626 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.723 -2.280 16.080 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.955 -1.864 17.767 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.588 -0.096 17.142 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.305 -0.401 15.440 1.00 0.00 H new ATOM 281 N GLU A 21 -1.065 1.641 17.338 1.00 0.00 N ATOM 282 CA GLU A 21 -1.389 2.735 18.295 1.00 0.00 C ATOM 283 C GLU A 21 -2.902 2.784 18.521 1.00 0.00 C ATOM 284 O GLU A 21 -3.666 3.064 17.618 1.00 0.00 O ATOM 285 CB GLU A 21 -0.917 4.072 17.720 1.00 0.00 C ATOM 286 CG GLU A 21 -1.271 5.200 18.692 1.00 0.00 C ATOM 287 CD GLU A 21 -0.739 6.528 18.150 1.00 0.00 C ATOM 288 OE1 GLU A 21 -0.325 6.553 17.002 1.00 0.00 O ATOM 289 OE2 GLU A 21 -0.753 7.496 18.892 1.00 0.00 O ATOM 0 H GLU A 21 -1.583 1.665 16.459 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.885 2.549 19.243 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.160 4.048 17.551 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.387 4.250 16.753 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.352 5.256 18.823 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.841 4.997 19.673 1.00 0.00 H new ATOM 296 N VAL A 22 -3.340 2.514 19.719 1.00 0.00 N ATOM 297 CA VAL A 22 -4.803 2.542 20.002 1.00 0.00 C ATOM 298 C VAL A 22 -5.117 3.703 20.949 1.00 0.00 C ATOM 299 O VAL A 22 -4.466 3.885 21.958 1.00 0.00 O ATOM 300 CB VAL A 22 -5.224 1.224 20.655 1.00 0.00 C ATOM 301 CG1 VAL A 22 -6.642 1.359 21.211 1.00 0.00 C ATOM 302 CG2 VAL A 22 -5.189 0.105 19.612 1.00 0.00 C ATOM 0 H VAL A 22 -2.748 2.275 20.515 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.350 2.675 19.069 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.538 0.986 21.467 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.941 0.420 21.676 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.667 2.156 21.954 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.330 1.598 20.400 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.489 -0.835 20.076 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.875 0.343 18.799 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.178 0.008 19.216 1.00 0.00 H new ATOM 312 N ILE A 23 -6.109 4.489 20.631 1.00 0.00 N ATOM 313 CA ILE A 23 -6.465 5.634 21.517 1.00 0.00 C ATOM 314 C ILE A 23 -7.709 5.279 22.331 1.00 0.00 C ATOM 315 O ILE A 23 -8.688 4.785 21.806 1.00 0.00 O ATOM 316 CB ILE A 23 -6.749 6.870 20.662 1.00 0.00 C ATOM 317 CG1 ILE A 23 -5.489 7.250 19.880 1.00 0.00 C ATOM 318 CG2 ILE A 23 -7.155 8.034 21.568 1.00 0.00 C ATOM 319 CD1 ILE A 23 -5.825 8.348 18.870 1.00 0.00 C ATOM 0 H ILE A 23 -6.688 4.388 19.797 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.636 5.843 22.193 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.558 6.651 19.965 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.714 7.596 20.564 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.091 6.376 19.364 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.358 8.915 20.959 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.052 7.765 22.126 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.346 8.252 22.265 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.927 8.618 18.314 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.585 7.986 18.178 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.202 9.224 19.397 1.00 0.00 H new ATOM 331 N ARG A 24 -7.681 5.527 23.612 1.00 0.00 N ATOM 332 CA ARG A 24 -8.856 5.185 24.463 1.00 0.00 C ATOM 333 C ARG A 24 -10.077 5.974 23.988 1.00 0.00 C ATOM 334 O ARG A 24 -10.174 7.168 24.194 1.00 0.00 O ATOM 335 CB ARG A 24 -8.552 5.542 25.919 1.00 0.00 C ATOM 336 CG ARG A 24 -9.680 5.031 26.817 1.00 0.00 C ATOM 337 CD ARG A 24 -9.159 4.858 28.245 1.00 0.00 C ATOM 338 NE ARG A 24 -8.127 3.784 28.271 1.00 0.00 N ATOM 339 CZ ARG A 24 -7.491 3.517 29.378 1.00 0.00 C ATOM 340 NH1 ARG A 24 -7.767 4.184 30.466 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.581 2.583 29.400 1.00 0.00 N ATOM 0 H ARG A 24 -6.896 5.951 24.106 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.062 4.117 24.386 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.603 5.100 26.222 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.449 6.622 26.026 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.514 5.733 26.806 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.058 4.081 26.439 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.733 5.795 28.604 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.980 4.604 28.915 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.918 3.257 27.423 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.480 4.913 30.450 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.270 3.976 31.332 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.366 2.060 28.551 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.084 2.375 30.266 1.00 0.00 H new ATOM 355 N LYS A 25 -11.010 5.318 23.355 1.00 0.00 N ATOM 356 CA LYS A 25 -12.224 6.032 22.867 1.00 0.00 C ATOM 357 C LYS A 25 -13.341 5.904 23.905 1.00 0.00 C ATOM 358 O LYS A 25 -14.380 6.525 23.792 1.00 0.00 O ATOM 359 CB LYS A 25 -12.682 5.414 21.545 1.00 0.00 C ATOM 360 CG LYS A 25 -13.174 3.986 21.791 1.00 0.00 C ATOM 361 CD LYS A 25 -13.535 3.334 20.455 1.00 0.00 C ATOM 362 CE LYS A 25 -12.279 2.728 19.825 1.00 0.00 C ATOM 363 NZ LYS A 25 -12.647 2.024 18.565 1.00 0.00 N ATOM 0 H LYS A 25 -10.984 4.318 23.154 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.990 7.085 22.713 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.480 6.014 21.108 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.859 5.408 20.830 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.401 3.405 22.294 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.043 3.998 22.449 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.287 2.560 20.608 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.971 4.074 19.783 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.549 3.511 19.617 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.810 2.031 20.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.794 1.612 18.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.329 1.267 18.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.076 2.701 17.902 1.00 0.00 H new ATOM 377 N SER A 26 -13.137 5.102 24.914 1.00 0.00 N ATOM 378 CA SER A 26 -14.201 4.909 25.939 1.00 0.00 C ATOM 379 C SER A 26 -13.919 5.810 27.144 1.00 0.00 C ATOM 380 O SER A 26 -12.822 5.839 27.665 1.00 0.00 O ATOM 381 CB SER A 26 -14.218 3.448 26.388 1.00 0.00 C ATOM 382 OG SER A 26 -15.154 3.292 27.447 1.00 0.00 O ATOM 0 H SER A 26 -12.280 4.572 25.073 1.00 0.00 H new ATOM 0 HA SER A 26 -15.169 5.168 25.510 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.486 2.802 25.552 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.224 3.146 26.718 1.00 0.00 H new ATOM 0 HG SER A 26 -15.168 2.356 27.736 1.00 0.00 H new ATOM 388 N GLY A 27 -14.901 6.546 27.589 1.00 0.00 N ATOM 389 CA GLY A 27 -14.698 7.416 28.782 1.00 0.00 C ATOM 390 C GLY A 27 -14.548 8.871 28.334 1.00 0.00 C ATOM 391 O GLY A 27 -14.017 9.154 27.279 1.00 0.00 O ATOM 0 H GLY A 27 -15.834 6.582 27.178 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.543 7.320 29.463 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.810 7.100 29.329 1.00 0.00 H new ATOM 395 N LEU A 28 -15.013 9.797 29.126 1.00 0.00 N ATOM 396 CA LEU A 28 -14.904 11.232 28.741 1.00 0.00 C ATOM 397 C LEU A 28 -13.440 11.671 28.820 1.00 0.00 C ATOM 398 O LEU A 28 -12.987 12.497 28.053 1.00 0.00 O ATOM 399 CB LEU A 28 -15.746 12.083 29.694 1.00 0.00 C ATOM 400 CG LEU A 28 -15.654 13.553 29.283 1.00 0.00 C ATOM 401 CD1 LEU A 28 -16.239 13.729 27.881 1.00 0.00 C ATOM 402 CD2 LEU A 28 -16.444 14.409 30.276 1.00 0.00 C ATOM 0 H LEU A 28 -15.464 9.622 30.024 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.268 11.363 27.722 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -16.785 11.753 29.672 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.393 11.958 30.718 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.610 13.866 29.282 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -16.173 14.777 27.588 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.678 13.119 27.173 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -17.283 13.417 27.881 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -16.379 15.457 29.985 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -17.488 14.096 30.276 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.028 14.284 31.276 1.00 0.00 H new ATOM 414 N SER A 29 -12.698 11.127 29.745 1.00 0.00 N ATOM 415 CA SER A 29 -11.263 11.512 29.872 1.00 0.00 C ATOM 416 C SER A 29 -10.523 11.154 28.582 1.00 0.00 C ATOM 417 O SER A 29 -9.329 10.932 28.581 1.00 0.00 O ATOM 418 CB SER A 29 -10.635 10.760 31.045 1.00 0.00 C ATOM 419 OG SER A 29 -11.561 10.715 32.123 1.00 0.00 O ATOM 0 H SER A 29 -13.023 10.433 30.418 1.00 0.00 H new ATOM 0 HA SER A 29 -11.189 12.585 30.048 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.364 9.749 30.741 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.716 11.255 31.360 1.00 0.00 H new ATOM 0 HG SER A 29 -11.162 10.232 32.877 1.00 0.00 H new ATOM 425 N ALA A 30 -11.224 11.095 27.482 1.00 0.00 N ATOM 426 CA ALA A 30 -10.562 10.733 26.196 1.00 0.00 C ATOM 427 C ALA A 30 -9.192 11.410 26.118 1.00 0.00 C ATOM 428 O ALA A 30 -8.997 12.498 26.625 1.00 0.00 O ATOM 429 CB ALA A 30 -11.430 11.202 25.027 1.00 0.00 C ATOM 0 H ALA A 30 -12.225 11.281 27.418 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.435 9.652 26.144 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.947 10.938 24.086 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.406 10.719 25.082 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.557 12.283 25.079 1.00 0.00 H new ATOM 435 N GLY A 31 -8.242 10.776 25.488 1.00 0.00 N ATOM 436 CA GLY A 31 -6.884 11.382 25.386 1.00 0.00 C ATOM 437 C GLY A 31 -5.835 10.368 25.850 1.00 0.00 C ATOM 438 O GLY A 31 -4.674 10.463 25.509 1.00 0.00 O ATOM 0 H GLY A 31 -8.347 9.866 25.040 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.685 11.682 24.357 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.830 12.283 25.997 1.00 0.00 H new ATOM 442 N LYS A 32 -6.238 9.400 26.628 1.00 0.00 N ATOM 443 CA LYS A 32 -5.270 8.364 27.086 1.00 0.00 C ATOM 444 C LYS A 32 -5.100 7.306 25.995 1.00 0.00 C ATOM 445 O LYS A 32 -6.058 6.720 25.530 1.00 0.00 O ATOM 446 CB LYS A 32 -5.798 7.703 28.362 1.00 0.00 C ATOM 447 CG LYS A 32 -4.621 7.191 29.195 1.00 0.00 C ATOM 448 CD LYS A 32 -5.134 6.677 30.542 1.00 0.00 C ATOM 449 CE LYS A 32 -5.291 7.851 31.510 1.00 0.00 C ATOM 450 NZ LYS A 32 -5.637 7.336 32.864 1.00 0.00 N ATOM 0 H LYS A 32 -7.193 9.282 26.965 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.307 8.831 27.290 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.383 8.419 28.940 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.464 6.878 28.108 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.105 6.393 28.662 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.897 7.991 29.351 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.090 6.171 30.410 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.439 5.944 30.952 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.366 8.426 31.554 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.070 8.526 31.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.744 8.134 33.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.530 6.805 32.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.879 6.709 33.201 1.00 0.00 H new ATOM 464 N SER A 33 -3.888 7.056 25.581 1.00 0.00 N ATOM 465 CA SER A 33 -3.664 6.076 24.481 1.00 0.00 C ATOM 466 C SER A 33 -2.552 5.104 24.881 1.00 0.00 C ATOM 467 O SER A 33 -1.695 5.421 25.681 1.00 0.00 O ATOM 468 CB SER A 33 -3.256 6.822 23.210 1.00 0.00 C ATOM 469 OG SER A 33 -4.299 7.711 22.832 1.00 0.00 O ATOM 0 H SER A 33 -3.044 7.488 25.957 1.00 0.00 H new ATOM 0 HA SER A 33 -4.583 5.520 24.297 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.333 7.377 23.381 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.058 6.113 22.406 1.00 0.00 H new ATOM 0 HG SER A 33 -3.916 8.488 22.373 1.00 0.00 H new ATOM 475 N ASP A 34 -2.558 3.922 24.329 1.00 0.00 N ATOM 476 CA ASP A 34 -1.488 2.938 24.660 1.00 0.00 C ATOM 477 C ASP A 34 -0.853 2.423 23.368 1.00 0.00 C ATOM 478 O ASP A 34 -1.507 2.292 22.352 1.00 0.00 O ATOM 479 CB ASP A 34 -2.095 1.766 25.434 1.00 0.00 C ATOM 480 CG ASP A 34 -0.978 0.838 25.915 1.00 0.00 C ATOM 481 OD1 ASP A 34 0.153 1.043 25.505 1.00 0.00 O ATOM 482 OD2 ASP A 34 -1.271 -0.061 26.686 1.00 0.00 O ATOM 0 H ASP A 34 -3.258 3.595 23.663 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.726 3.421 25.272 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.667 2.136 26.285 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.789 1.217 24.798 1.00 0.00 H new ATOM 487 N VAL A 35 0.418 2.129 23.397 1.00 0.00 N ATOM 488 CA VAL A 35 1.096 1.633 22.165 1.00 0.00 C ATOM 489 C VAL A 35 1.523 0.178 22.367 1.00 0.00 C ATOM 490 O VAL A 35 2.108 -0.174 23.374 1.00 0.00 O ATOM 491 CB VAL A 35 2.329 2.492 21.882 1.00 0.00 C ATOM 492 CG1 VAL A 35 3.133 1.871 20.738 1.00 0.00 C ATOM 493 CG2 VAL A 35 1.887 3.902 21.485 1.00 0.00 C ATOM 0 H VAL A 35 1.016 2.211 24.219 1.00 0.00 H new ATOM 0 HA VAL A 35 0.408 1.695 21.322 1.00 0.00 H new ATOM 0 HB VAL A 35 2.949 2.542 22.777 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.012 2.484 20.537 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.448 0.866 21.018 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.513 1.821 19.843 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.765 4.515 21.283 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.267 3.850 20.590 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.314 4.346 22.299 1.00 0.00 H new ATOM 503 N TYR A 36 1.238 -0.670 21.419 1.00 0.00 N ATOM 504 CA TYR A 36 1.631 -2.101 21.555 1.00 0.00 C ATOM 505 C TYR A 36 2.685 -2.442 20.500 1.00 0.00 C ATOM 506 O TYR A 36 2.667 -1.927 19.401 1.00 0.00 O ATOM 507 CB TYR A 36 0.402 -2.990 21.354 1.00 0.00 C ATOM 508 CG TYR A 36 -0.699 -2.549 22.287 1.00 0.00 C ATOM 509 CD1 TYR A 36 -0.511 -2.615 23.673 1.00 0.00 C ATOM 510 CD2 TYR A 36 -1.908 -2.071 21.767 1.00 0.00 C ATOM 511 CE1 TYR A 36 -1.532 -2.206 24.538 1.00 0.00 C ATOM 512 CE2 TYR A 36 -2.929 -1.661 22.632 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.741 -1.729 24.018 1.00 0.00 C ATOM 514 OH TYR A 36 -3.748 -1.325 24.871 1.00 0.00 O ATOM 0 H TYR A 36 0.750 -0.434 20.555 1.00 0.00 H new ATOM 0 HA TYR A 36 2.043 -2.271 22.550 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.062 -2.930 20.320 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.659 -4.032 21.545 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.422 -2.982 24.074 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.053 -2.019 20.698 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.387 -2.258 25.607 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.861 -1.292 22.231 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.518 -1.021 24.347 1.00 0.00 H new ATOM 524 N TYR A 37 3.607 -3.307 20.827 1.00 0.00 N ATOM 525 CA TYR A 37 4.665 -3.675 19.844 1.00 0.00 C ATOM 526 C TYR A 37 4.611 -5.180 19.575 1.00 0.00 C ATOM 527 O TYR A 37 4.514 -5.980 20.485 1.00 0.00 O ATOM 528 CB TYR A 37 6.037 -3.307 20.410 1.00 0.00 C ATOM 529 CG TYR A 37 6.116 -1.812 20.611 1.00 0.00 C ATOM 530 CD1 TYR A 37 5.697 -1.245 21.820 1.00 0.00 C ATOM 531 CD2 TYR A 37 6.606 -0.994 19.586 1.00 0.00 C ATOM 532 CE1 TYR A 37 5.770 0.140 22.005 1.00 0.00 C ATOM 533 CE2 TYR A 37 6.678 0.392 19.771 1.00 0.00 C ATOM 534 CZ TYR A 37 6.260 0.959 20.982 1.00 0.00 C ATOM 535 OH TYR A 37 6.330 2.325 21.164 1.00 0.00 O ATOM 0 H TYR A 37 3.673 -3.774 21.731 1.00 0.00 H new ATOM 0 HA TYR A 37 4.499 -3.134 18.913 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.201 -3.821 21.357 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.823 -3.635 19.729 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.317 -1.876 22.610 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.928 -1.432 18.653 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.448 0.577 22.938 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.056 1.024 18.981 1.00 0.00 H new ATOM 0 HH TYR A 37 5.660 2.602 21.823 1.00 0.00 H new ATOM 545 N PHE A 38 4.672 -5.573 18.333 1.00 0.00 N ATOM 546 CA PHE A 38 4.639 -7.027 18.007 1.00 0.00 C ATOM 547 C PHE A 38 5.988 -7.451 17.424 1.00 0.00 C ATOM 548 O PHE A 38 6.501 -6.836 16.511 1.00 0.00 O ATOM 549 CB PHE A 38 3.533 -7.295 16.984 1.00 0.00 C ATOM 550 CG PHE A 38 2.186 -7.176 17.654 1.00 0.00 C ATOM 551 CD1 PHE A 38 1.554 -5.930 17.738 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.568 -8.312 18.191 1.00 0.00 C ATOM 553 CE1 PHE A 38 0.303 -5.820 18.359 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.319 -8.202 18.812 1.00 0.00 C ATOM 555 CZ PHE A 38 -0.314 -6.956 18.896 1.00 0.00 C ATOM 0 H PHE A 38 4.743 -4.950 17.529 1.00 0.00 H new ATOM 0 HA PHE A 38 4.441 -7.598 18.914 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.605 -6.585 16.161 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.652 -8.291 16.557 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.031 -5.054 17.324 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.056 -9.273 18.126 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.185 -4.859 18.423 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.157 -9.078 19.227 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.278 -6.871 19.375 1.00 0.00 H new ATOM 565 N SER A 39 6.567 -8.498 17.945 1.00 0.00 N ATOM 566 CA SER A 39 7.888 -8.954 17.428 1.00 0.00 C ATOM 567 C SER A 39 7.677 -10.076 16.410 1.00 0.00 C ATOM 568 O SER A 39 6.633 -10.697 16.364 1.00 0.00 O ATOM 569 CB SER A 39 8.739 -9.470 18.588 1.00 0.00 C ATOM 570 OG SER A 39 7.887 -9.998 19.597 1.00 0.00 O ATOM 0 H SER A 39 6.182 -9.057 18.706 1.00 0.00 H new ATOM 0 HA SER A 39 8.398 -8.119 16.948 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.426 -10.240 18.236 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.347 -8.662 18.995 1.00 0.00 H new ATOM 0 HG SER A 39 7.859 -10.975 19.523 1.00 0.00 H new ATOM 576 N PRO A 40 8.667 -10.332 15.601 1.00 0.00 N ATOM 577 CA PRO A 40 8.621 -11.424 14.587 1.00 0.00 C ATOM 578 C PRO A 40 8.348 -12.792 15.220 1.00 0.00 C ATOM 579 O PRO A 40 7.949 -13.726 14.555 1.00 0.00 O ATOM 580 CB PRO A 40 10.014 -11.394 13.957 1.00 0.00 C ATOM 581 CG PRO A 40 10.865 -10.627 14.915 1.00 0.00 C ATOM 582 CD PRO A 40 9.944 -9.604 15.565 1.00 0.00 C ATOM 0 HA PRO A 40 7.815 -11.275 13.868 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.400 -12.402 13.809 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.993 -10.914 12.979 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.304 -11.288 15.663 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.690 -10.137 14.398 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.283 -9.323 16.562 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.875 -8.686 14.981 1.00 0.00 H new ATOM 590 N SER A 41 8.561 -12.915 16.503 1.00 0.00 N ATOM 591 CA SER A 41 8.296 -14.216 17.179 1.00 0.00 C ATOM 592 C SER A 41 6.801 -14.336 17.483 1.00 0.00 C ATOM 593 O SER A 41 6.325 -15.372 17.902 1.00 0.00 O ATOM 594 CB SER A 41 9.088 -14.281 18.485 1.00 0.00 C ATOM 595 OG SER A 41 8.380 -15.081 19.424 1.00 0.00 O ATOM 0 H SER A 41 8.906 -12.172 17.110 1.00 0.00 H new ATOM 0 HA SER A 41 8.602 -15.034 16.527 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.077 -14.702 18.304 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.237 -13.278 18.884 1.00 0.00 H new ATOM 0 HG SER A 41 7.735 -15.647 18.951 1.00 0.00 H new ATOM 601 N GLY A 42 6.057 -13.284 17.275 1.00 0.00 N ATOM 602 CA GLY A 42 4.591 -13.346 17.532 1.00 0.00 C ATOM 603 C GLY A 42 4.309 -12.942 18.981 1.00 0.00 C ATOM 604 O GLY A 42 3.174 -12.881 19.409 1.00 0.00 O ATOM 0 H GLY A 42 6.401 -12.385 16.938 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.063 -12.681 16.849 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.221 -14.354 17.346 1.00 0.00 H new ATOM 608 N LYS A 43 5.335 -12.665 19.740 1.00 0.00 N ATOM 609 CA LYS A 43 5.124 -12.278 21.164 1.00 0.00 C ATOM 610 C LYS A 43 4.626 -10.833 21.231 1.00 0.00 C ATOM 611 O LYS A 43 5.108 -9.967 20.528 1.00 0.00 O ATOM 612 CB LYS A 43 6.447 -12.398 21.924 1.00 0.00 C ATOM 613 CG LYS A 43 6.222 -12.052 23.398 1.00 0.00 C ATOM 614 CD LYS A 43 5.330 -13.116 24.040 1.00 0.00 C ATOM 615 CE LYS A 43 5.528 -13.100 25.558 1.00 0.00 C ATOM 616 NZ LYS A 43 5.089 -11.784 26.101 1.00 0.00 N ATOM 0 H LYS A 43 6.308 -12.690 19.436 1.00 0.00 H new ATOM 0 HA LYS A 43 4.383 -12.938 21.616 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.840 -13.410 21.833 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.189 -11.727 21.491 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.177 -11.999 23.920 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.756 -11.070 23.485 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.285 -12.925 23.797 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.575 -14.100 23.641 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.956 -13.905 26.019 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.576 -13.275 25.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.029 -11.839 27.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.776 -11.051 25.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.155 -11.542 25.713 1.00 0.00 H new ATOM 630 N LYS A 44 3.664 -10.566 22.071 1.00 0.00 N ATOM 631 CA LYS A 44 3.121 -9.183 22.167 1.00 0.00 C ATOM 632 C LYS A 44 3.765 -8.462 23.352 1.00 0.00 C ATOM 633 O LYS A 44 4.016 -9.050 24.386 1.00 0.00 O ATOM 634 CB LYS A 44 1.605 -9.243 22.369 1.00 0.00 C ATOM 635 CG LYS A 44 1.038 -7.823 22.408 1.00 0.00 C ATOM 636 CD LYS A 44 -0.484 -7.884 22.557 1.00 0.00 C ATOM 637 CE LYS A 44 -1.054 -6.465 22.567 1.00 0.00 C ATOM 638 NZ LYS A 44 -0.629 -5.767 23.814 1.00 0.00 N ATOM 0 H LYS A 44 3.231 -11.247 22.695 1.00 0.00 H new ATOM 0 HA LYS A 44 3.344 -8.641 21.248 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.142 -9.809 21.560 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.372 -9.765 23.297 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.473 -7.269 23.240 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.303 -7.289 21.496 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.918 -8.455 21.736 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.749 -8.400 23.480 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.705 -5.915 21.693 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.142 -6.498 22.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.354 -4.790 23.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.418 -5.757 24.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.181 -6.267 24.233 1.00 0.00 H new ATOM 652 N PHE A 45 4.035 -7.193 23.212 1.00 0.00 N ATOM 653 CA PHE A 45 4.650 -6.433 24.337 1.00 0.00 C ATOM 654 C PHE A 45 3.858 -5.146 24.578 1.00 0.00 C ATOM 655 O PHE A 45 3.083 -4.719 23.746 1.00 0.00 O ATOM 656 CB PHE A 45 6.098 -6.083 23.986 1.00 0.00 C ATOM 657 CG PHE A 45 6.868 -7.349 23.702 1.00 0.00 C ATOM 658 CD1 PHE A 45 6.974 -8.339 24.687 1.00 0.00 C ATOM 659 CD2 PHE A 45 7.477 -7.535 22.455 1.00 0.00 C ATOM 660 CE1 PHE A 45 7.690 -9.514 24.424 1.00 0.00 C ATOM 661 CE2 PHE A 45 8.192 -8.709 22.193 1.00 0.00 C ATOM 662 CZ PHE A 45 8.298 -9.699 23.177 1.00 0.00 C ATOM 0 H PHE A 45 3.856 -6.650 22.367 1.00 0.00 H new ATOM 0 HA PHE A 45 4.633 -7.044 25.239 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.124 -5.426 23.116 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.562 -5.540 24.809 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.504 -8.197 25.649 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.395 -6.772 21.695 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.773 -10.277 25.184 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.662 -8.851 21.231 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.849 -10.605 22.974 1.00 0.00 H new ATOM 672 N ARG A 46 4.047 -4.526 25.710 1.00 0.00 N ATOM 673 CA ARG A 46 3.304 -3.269 26.004 1.00 0.00 C ATOM 674 C ARG A 46 4.219 -2.300 26.756 1.00 0.00 C ATOM 675 O ARG A 46 4.694 -2.591 27.837 1.00 0.00 O ATOM 676 CB ARG A 46 2.081 -3.589 26.868 1.00 0.00 C ATOM 677 CG ARG A 46 1.387 -4.839 26.326 1.00 0.00 C ATOM 678 CD ARG A 46 0.058 -5.043 27.056 1.00 0.00 C ATOM 679 NE ARG A 46 0.323 -5.389 28.482 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.646 -5.339 29.355 1.00 0.00 C ATOM 681 NH1 ARG A 46 -1.846 -4.988 28.981 1.00 0.00 N ATOM 682 NH2 ARG A 46 -0.414 -5.641 30.603 1.00 0.00 N ATOM 0 H ARG A 46 4.684 -4.836 26.444 1.00 0.00 H new ATOM 0 HA ARG A 46 2.979 -2.812 25.069 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.385 -3.749 27.903 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.390 -2.746 26.865 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.213 -4.736 25.255 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.027 -5.711 26.463 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.545 -4.137 26.996 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.514 -5.838 26.578 1.00 0.00 H new ATOM 0 HE ARG A 46 1.260 -5.664 28.775 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.028 -4.752 28.005 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.602 -4.949 29.664 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.524 -5.916 30.895 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.170 -5.602 31.286 1.00 0.00 H new ATOM 696 N SER A 47 4.471 -1.151 26.193 1.00 0.00 N ATOM 697 CA SER A 47 5.304 -0.140 26.903 1.00 0.00 C ATOM 698 C SER A 47 6.760 -0.273 26.455 1.00 0.00 C ATOM 699 O SER A 47 7.197 -1.326 26.034 1.00 0.00 O ATOM 700 CB SER A 47 5.211 -0.371 28.411 1.00 0.00 C ATOM 701 OG SER A 47 3.885 -0.756 28.746 1.00 0.00 O ATOM 0 H SER A 47 4.136 -0.868 25.272 1.00 0.00 H new ATOM 0 HA SER A 47 4.941 0.860 26.666 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.915 -1.145 28.716 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.485 0.538 28.947 1.00 0.00 H new ATOM 0 HG SER A 47 3.862 -1.716 28.940 1.00 0.00 H new ATOM 707 N LYS A 48 7.517 0.787 26.542 1.00 0.00 N ATOM 708 CA LYS A 48 8.943 0.723 26.115 1.00 0.00 C ATOM 709 C LYS A 48 9.686 -0.312 26.965 1.00 0.00 C ATOM 710 O LYS A 48 10.400 -1.151 26.453 1.00 0.00 O ATOM 711 CB LYS A 48 9.594 2.096 26.299 1.00 0.00 C ATOM 712 CG LYS A 48 11.009 2.072 25.720 1.00 0.00 C ATOM 713 CD LYS A 48 10.935 2.015 24.193 1.00 0.00 C ATOM 714 CE LYS A 48 11.455 0.661 23.705 1.00 0.00 C ATOM 715 NZ LYS A 48 11.022 0.440 22.297 1.00 0.00 N ATOM 0 H LYS A 48 7.209 1.695 26.891 1.00 0.00 H new ATOM 0 HA LYS A 48 8.994 0.435 25.065 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.999 2.862 25.801 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.627 2.356 27.357 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.557 2.960 26.035 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.554 1.209 26.101 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.907 2.162 23.863 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.527 2.821 23.760 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.543 0.632 23.771 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.076 -0.137 24.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.855 -0.574 22.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.144 0.967 22.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.764 0.773 21.649 1.00 0.00 H new ATOM 729 N PRO A 49 9.514 -0.245 28.256 1.00 0.00 N ATOM 730 CA PRO A 49 10.185 -1.174 29.209 1.00 0.00 C ATOM 731 C PRO A 49 9.940 -2.644 28.858 1.00 0.00 C ATOM 732 O PRO A 49 10.762 -3.501 29.121 1.00 0.00 O ATOM 733 CB PRO A 49 9.548 -0.835 30.558 1.00 0.00 C ATOM 734 CG PRO A 49 8.344 -0.013 30.232 1.00 0.00 C ATOM 735 CD PRO A 49 8.657 0.729 28.950 1.00 0.00 C ATOM 0 HA PRO A 49 11.268 -1.052 29.195 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.271 -1.739 31.100 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.241 -0.282 31.192 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.465 -0.646 30.108 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.122 0.685 31.039 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.758 0.964 28.381 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.172 1.671 29.136 1.00 0.00 H new ATOM 743 N GLN A 50 8.818 -2.944 28.264 1.00 0.00 N ATOM 744 CA GLN A 50 8.533 -4.354 27.874 1.00 0.00 C ATOM 745 C GLN A 50 9.343 -4.711 26.625 1.00 0.00 C ATOM 746 O GLN A 50 10.055 -5.695 26.596 1.00 0.00 O ATOM 747 CB GLN A 50 7.041 -4.510 27.576 1.00 0.00 C ATOM 748 CG GLN A 50 6.706 -5.994 27.414 1.00 0.00 C ATOM 749 CD GLN A 50 6.784 -6.687 28.775 1.00 0.00 C ATOM 750 OE1 GLN A 50 7.560 -7.603 28.960 1.00 0.00 O ATOM 751 NE2 GLN A 50 6.007 -6.285 29.744 1.00 0.00 N ATOM 0 H GLN A 50 8.086 -2.273 28.032 1.00 0.00 H new ATOM 0 HA GLN A 50 8.811 -5.020 28.691 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.451 -4.079 28.385 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.782 -3.966 26.667 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.707 -6.108 26.993 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.401 -6.460 26.716 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.355 -5.516 29.589 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.052 -6.740 30.656 1.00 0.00 H new ATOM 760 N LEU A 51 9.236 -3.922 25.592 1.00 0.00 N ATOM 761 CA LEU A 51 10.015 -4.206 24.354 1.00 0.00 C ATOM 762 C LEU A 51 11.511 -4.073 24.649 1.00 0.00 C ATOM 763 O LEU A 51 12.308 -4.897 24.249 1.00 0.00 O ATOM 764 CB LEU A 51 9.620 -3.209 23.262 1.00 0.00 C ATOM 765 CG LEU A 51 10.443 -3.478 22.001 1.00 0.00 C ATOM 766 CD1 LEU A 51 9.757 -2.832 20.796 1.00 0.00 C ATOM 767 CD2 LEU A 51 11.842 -2.883 22.171 1.00 0.00 C ATOM 0 H LEU A 51 8.643 -3.093 25.551 1.00 0.00 H new ATOM 0 HA LEU A 51 9.801 -5.220 24.016 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.557 -3.299 23.041 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.789 -2.189 23.608 1.00 0.00 H new ATOM 0 HG LEU A 51 10.521 -4.553 21.840 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.344 -3.024 19.897 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.760 -3.255 20.675 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.678 -1.757 20.955 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.430 -3.074 21.273 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.763 -1.808 22.331 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.331 -3.343 23.030 1.00 0.00 H new ATOM 779 N ALA A 52 11.898 -3.039 25.346 1.00 0.00 N ATOM 780 CA ALA A 52 13.340 -2.859 25.674 1.00 0.00 C ATOM 781 C ALA A 52 13.860 -4.102 26.398 1.00 0.00 C ATOM 782 O ALA A 52 14.945 -4.581 26.131 1.00 0.00 O ATOM 783 CB ALA A 52 13.508 -1.636 26.579 1.00 0.00 C ATOM 0 H ALA A 52 11.278 -2.312 25.702 1.00 0.00 H new ATOM 0 HA ALA A 52 13.905 -2.712 24.753 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.563 -1.504 26.820 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.139 -0.749 26.064 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.942 -1.783 27.499 1.00 0.00 H new ATOM 789 N ARG A 53 13.097 -4.628 27.317 1.00 0.00 N ATOM 790 CA ARG A 53 13.546 -5.841 28.055 1.00 0.00 C ATOM 791 C ARG A 53 13.717 -7.005 27.077 1.00 0.00 C ATOM 792 O ARG A 53 14.608 -7.819 27.216 1.00 0.00 O ATOM 793 CB ARG A 53 12.501 -6.210 29.111 1.00 0.00 C ATOM 794 CG ARG A 53 13.014 -7.383 29.947 1.00 0.00 C ATOM 795 CD ARG A 53 11.961 -7.771 30.987 1.00 0.00 C ATOM 796 NE ARG A 53 11.711 -6.616 31.893 1.00 0.00 N ATOM 797 CZ ARG A 53 12.655 -6.196 32.690 1.00 0.00 C ATOM 798 NH1 ARG A 53 13.821 -6.783 32.686 1.00 0.00 N ATOM 799 NH2 ARG A 53 12.436 -5.188 33.489 1.00 0.00 N ATOM 0 H ARG A 53 12.182 -4.269 27.588 1.00 0.00 H new ATOM 0 HA ARG A 53 14.500 -5.636 28.541 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.299 -5.353 29.753 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.560 -6.477 28.630 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.234 -8.234 29.302 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.946 -7.110 30.442 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.036 -8.065 30.491 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.302 -8.632 31.563 1.00 0.00 H new ATOM 0 HE ARG A 53 10.802 -6.153 31.891 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.994 -7.570 32.060 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.559 -6.455 33.309 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.526 -4.727 33.491 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.175 -4.861 34.111 1.00 0.00 H new ATOM 813 N TYR A 54 12.871 -7.091 26.088 1.00 0.00 N ATOM 814 CA TYR A 54 12.987 -8.205 25.105 1.00 0.00 C ATOM 815 C TYR A 54 14.313 -8.086 24.350 1.00 0.00 C ATOM 816 O TYR A 54 15.040 -9.047 24.198 1.00 0.00 O ATOM 817 CB TYR A 54 11.827 -8.132 24.111 1.00 0.00 C ATOM 818 CG TYR A 54 11.968 -9.236 23.091 1.00 0.00 C ATOM 819 CD1 TYR A 54 11.550 -10.535 23.402 1.00 0.00 C ATOM 820 CD2 TYR A 54 12.517 -8.960 21.832 1.00 0.00 C ATOM 821 CE1 TYR A 54 11.681 -11.558 22.456 1.00 0.00 C ATOM 822 CE2 TYR A 54 12.648 -9.983 20.886 1.00 0.00 C ATOM 823 CZ TYR A 54 12.230 -11.283 21.198 1.00 0.00 C ATOM 824 OH TYR A 54 12.359 -12.292 20.265 1.00 0.00 O ATOM 0 H TYR A 54 12.105 -6.439 25.918 1.00 0.00 H new ATOM 0 HA TYR A 54 12.954 -9.158 25.633 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.877 -8.227 24.637 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.820 -7.162 23.614 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.126 -10.748 24.372 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.839 -7.958 21.591 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.358 -12.560 22.697 1.00 0.00 H new ATOM 0 HE2 TYR A 54 13.071 -9.770 19.915 1.00 0.00 H new ATOM 0 HH TYR A 54 12.757 -11.931 19.446 1.00 0.00 H new ATOM 834 N LEU A 55 14.632 -6.913 23.876 1.00 0.00 N ATOM 835 CA LEU A 55 15.906 -6.736 23.124 1.00 0.00 C ATOM 836 C LEU A 55 17.083 -6.726 24.102 1.00 0.00 C ATOM 837 O LEU A 55 18.174 -7.148 23.779 1.00 0.00 O ATOM 838 CB LEU A 55 15.866 -5.410 22.360 1.00 0.00 C ATOM 839 CG LEU A 55 14.829 -5.498 21.239 1.00 0.00 C ATOM 840 CD1 LEU A 55 14.704 -4.139 20.550 1.00 0.00 C ATOM 841 CD2 LEU A 55 15.273 -6.548 20.217 1.00 0.00 C ATOM 0 H LEU A 55 14.066 -6.070 23.977 1.00 0.00 H new ATOM 0 HA LEU A 55 16.028 -7.559 22.420 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.615 -4.595 23.039 1.00 0.00 H new ATOM 0 HB3 LEU A 55 16.849 -5.188 21.944 1.00 0.00 H new ATOM 0 HG LEU A 55 13.864 -5.782 21.659 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.965 -4.203 19.751 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.389 -3.390 21.277 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.669 -3.854 20.130 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.535 -6.612 19.417 1.00 0.00 H new ATOM 0 HD22 LEU A 55 16.238 -6.263 19.798 1.00 0.00 H new ATOM 0 HD23 LEU A 55 15.362 -7.518 20.707 1.00 0.00 H new ATOM 853 N GLY A 56 16.869 -6.246 25.296 1.00 0.00 N ATOM 854 CA GLY A 56 17.975 -6.220 26.297 1.00 0.00 C ATOM 855 C GLY A 56 18.978 -5.129 25.921 1.00 0.00 C ATOM 856 O GLY A 56 18.761 -4.361 25.006 1.00 0.00 O ATOM 0 H GLY A 56 15.978 -5.871 25.622 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.574 -6.032 27.293 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.472 -7.190 26.331 1.00 0.00 H new ATOM 860 N ASN A 57 20.077 -5.054 26.622 1.00 0.00 N ATOM 861 CA ASN A 57 21.094 -4.011 26.305 1.00 0.00 C ATOM 862 C ASN A 57 21.665 -4.265 24.908 1.00 0.00 C ATOM 863 O ASN A 57 22.166 -3.367 24.260 1.00 0.00 O ATOM 864 CB ASN A 57 22.222 -4.069 27.336 1.00 0.00 C ATOM 865 CG ASN A 57 21.772 -3.379 28.626 1.00 0.00 C ATOM 866 OD1 ASN A 57 20.782 -2.675 28.637 1.00 0.00 O ATOM 867 ND2 ASN A 57 22.463 -3.552 29.719 1.00 0.00 N ATOM 0 H ASN A 57 20.314 -5.670 27.400 1.00 0.00 H new ATOM 0 HA ASN A 57 20.627 -3.026 26.333 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.489 -5.106 27.540 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.114 -3.581 26.942 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.172 -3.096 30.584 1.00 0.00 H new ATOM 0 HD22 ASN A 57 23.294 -4.143 29.709 1.00 0.00 H new ATOM 874 N ALA A 58 21.596 -5.481 24.440 1.00 0.00 N ATOM 875 CA ALA A 58 22.131 -5.789 23.084 1.00 0.00 C ATOM 876 C ALA A 58 21.760 -4.658 22.122 1.00 0.00 C ATOM 877 O ALA A 58 22.412 -4.445 21.119 1.00 0.00 O ATOM 878 CB ALA A 58 21.527 -7.103 22.584 1.00 0.00 C ATOM 0 H ALA A 58 21.192 -6.274 24.938 1.00 0.00 H new ATOM 0 HA ALA A 58 23.216 -5.884 23.133 1.00 0.00 H new ATOM 0 HB1 ALA A 58 21.918 -7.329 21.592 1.00 0.00 H new ATOM 0 HB2 ALA A 58 21.790 -7.908 23.270 1.00 0.00 H new ATOM 0 HB3 ALA A 58 20.442 -7.009 22.534 1.00 0.00 H new ATOM 884 N VAL A 59 20.718 -3.932 22.419 1.00 0.00 N ATOM 885 CA VAL A 59 20.308 -2.815 21.522 1.00 0.00 C ATOM 886 C VAL A 59 19.852 -1.624 22.367 1.00 0.00 C ATOM 887 O VAL A 59 19.194 -1.781 23.376 1.00 0.00 O ATOM 888 CB VAL A 59 19.155 -3.277 20.628 1.00 0.00 C ATOM 889 CG1 VAL A 59 18.558 -2.071 19.900 1.00 0.00 C ATOM 890 CG2 VAL A 59 19.680 -4.283 19.601 1.00 0.00 C ATOM 0 H VAL A 59 20.133 -4.064 23.244 1.00 0.00 H new ATOM 0 HA VAL A 59 21.153 -2.518 20.901 1.00 0.00 H new ATOM 0 HB VAL A 59 18.386 -3.748 21.240 1.00 0.00 H new ATOM 0 HG11 VAL A 59 17.737 -2.400 19.263 1.00 0.00 H new ATOM 0 HG12 VAL A 59 18.185 -1.353 20.630 1.00 0.00 H new ATOM 0 HG13 VAL A 59 19.326 -1.599 19.287 1.00 0.00 H new ATOM 0 HG21 VAL A 59 18.860 -4.613 18.963 1.00 0.00 H new ATOM 0 HG22 VAL A 59 20.448 -3.811 18.989 1.00 0.00 H new ATOM 0 HG23 VAL A 59 20.106 -5.143 20.119 1.00 0.00 H new ATOM 900 N ASP A 60 20.197 -0.432 21.963 1.00 0.00 N ATOM 901 CA ASP A 60 19.773 0.769 22.737 1.00 0.00 C ATOM 902 C ASP A 60 18.680 1.514 21.968 1.00 0.00 C ATOM 903 O ASP A 60 18.880 1.944 20.849 1.00 0.00 O ATOM 904 CB ASP A 60 20.974 1.695 22.941 1.00 0.00 C ATOM 905 CG ASP A 60 20.620 2.774 23.967 1.00 0.00 C ATOM 906 OD1 ASP A 60 19.442 2.952 24.227 1.00 0.00 O ATOM 907 OD2 ASP A 60 21.533 3.401 24.476 1.00 0.00 O ATOM 0 H ASP A 60 20.754 -0.238 21.131 1.00 0.00 H new ATOM 0 HA ASP A 60 19.386 0.457 23.707 1.00 0.00 H new ATOM 0 HB2 ASP A 60 21.835 1.121 23.284 1.00 0.00 H new ATOM 0 HB3 ASP A 60 21.255 2.157 21.995 1.00 0.00 H new ATOM 912 N LEU A 61 17.527 1.667 22.557 1.00 0.00 N ATOM 913 CA LEU A 61 16.424 2.387 21.860 1.00 0.00 C ATOM 914 C LEU A 61 16.294 3.799 22.434 1.00 0.00 C ATOM 915 O LEU A 61 15.253 4.421 22.349 1.00 0.00 O ATOM 916 CB LEU A 61 15.109 1.630 22.066 1.00 0.00 C ATOM 917 CG LEU A 61 15.208 0.250 21.414 1.00 0.00 C ATOM 918 CD1 LEU A 61 15.731 -0.761 22.436 1.00 0.00 C ATOM 919 CD2 LEU A 61 13.822 -0.185 20.932 1.00 0.00 C ATOM 0 H LEU A 61 17.300 1.325 23.491 1.00 0.00 H new ATOM 0 HA LEU A 61 16.646 2.446 20.794 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.899 1.527 23.131 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.282 2.191 21.631 1.00 0.00 H new ATOM 0 HG LEU A 61 15.892 0.297 20.566 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.802 -1.745 21.972 1.00 0.00 H new ATOM 0 HD12 LEU A 61 16.717 -0.452 22.782 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.047 -0.808 23.284 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.891 -1.168 20.467 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.140 -0.232 21.781 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.447 0.535 20.204 1.00 0.00 H new ATOM 931 N SER A 62 17.343 4.310 23.019 1.00 0.00 N ATOM 932 CA SER A 62 17.277 5.679 23.603 1.00 0.00 C ATOM 933 C SER A 62 16.958 6.690 22.498 1.00 0.00 C ATOM 934 O SER A 62 16.256 7.658 22.713 1.00 0.00 O ATOM 935 CB SER A 62 18.623 6.028 24.238 1.00 0.00 C ATOM 936 OG SER A 62 19.633 6.014 23.238 1.00 0.00 O ATOM 0 H SER A 62 18.242 3.839 23.118 1.00 0.00 H new ATOM 0 HA SER A 62 16.497 5.712 24.363 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.573 7.011 24.707 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.864 5.312 25.024 1.00 0.00 H new ATOM 0 HG SER A 62 20.497 6.239 23.642 1.00 0.00 H new ATOM 942 N CYS A 63 17.468 6.472 21.318 1.00 0.00 N ATOM 943 CA CYS A 63 17.199 7.422 20.202 1.00 0.00 C ATOM 944 C CYS A 63 15.836 7.105 19.581 1.00 0.00 C ATOM 945 O CYS A 63 15.487 7.615 18.535 1.00 0.00 O ATOM 946 CB CYS A 63 18.289 7.283 19.137 1.00 0.00 C ATOM 947 SG CYS A 63 18.225 8.705 18.018 1.00 0.00 S ATOM 0 H CYS A 63 18.060 5.677 21.078 1.00 0.00 H new ATOM 0 HA CYS A 63 17.196 8.442 20.586 1.00 0.00 H new ATOM 0 HB2 CYS A 63 19.269 7.223 19.610 1.00 0.00 H new ATOM 0 HB3 CYS A 63 18.149 6.359 18.576 1.00 0.00 H new ATOM 0 HG CYS A 63 16.985 9.017 17.784 1.00 0.00 H new ATOM 953 N PHE A 64 15.065 6.267 20.217 1.00 0.00 N ATOM 954 CA PHE A 64 13.727 5.917 19.663 1.00 0.00 C ATOM 955 C PHE A 64 12.661 6.110 20.743 1.00 0.00 C ATOM 956 O PHE A 64 12.787 5.617 21.847 1.00 0.00 O ATOM 957 CB PHE A 64 13.730 4.458 19.203 1.00 0.00 C ATOM 958 CG PHE A 64 12.355 4.085 18.701 1.00 0.00 C ATOM 959 CD1 PHE A 64 11.904 4.573 17.469 1.00 0.00 C ATOM 960 CD2 PHE A 64 11.533 3.250 19.468 1.00 0.00 C ATOM 961 CE1 PHE A 64 10.630 4.227 17.004 1.00 0.00 C ATOM 962 CE2 PHE A 64 10.259 2.905 19.002 1.00 0.00 C ATOM 963 CZ PHE A 64 9.807 3.393 17.771 1.00 0.00 C ATOM 0 H PHE A 64 15.304 5.809 21.097 1.00 0.00 H new ATOM 0 HA PHE A 64 13.505 6.564 18.814 1.00 0.00 H new ATOM 0 HB2 PHE A 64 14.468 4.316 18.413 1.00 0.00 H new ATOM 0 HB3 PHE A 64 14.017 3.806 20.028 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.539 5.216 16.878 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.882 2.873 20.418 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.282 4.603 16.054 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.624 2.262 19.593 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.824 3.127 17.412 1.00 0.00 H new ATOM 973 N ASP A 65 11.611 6.821 20.434 1.00 0.00 N ATOM 974 CA ASP A 65 10.531 7.030 21.439 1.00 0.00 C ATOM 975 C ASP A 65 9.631 5.793 21.486 1.00 0.00 C ATOM 976 O ASP A 65 10.071 4.686 21.248 1.00 0.00 O ATOM 977 CB ASP A 65 9.699 8.253 21.047 1.00 0.00 C ATOM 978 CG ASP A 65 8.824 8.675 22.229 1.00 0.00 C ATOM 979 OD1 ASP A 65 9.188 8.363 23.351 1.00 0.00 O ATOM 980 OD2 ASP A 65 7.805 9.303 21.991 1.00 0.00 O ATOM 0 H ASP A 65 11.455 7.266 19.530 1.00 0.00 H new ATOM 0 HA ASP A 65 10.975 7.193 22.421 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.354 9.073 20.755 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.075 8.020 20.184 1.00 0.00 H new ATOM 985 N PHE A 66 8.376 5.973 21.790 1.00 0.00 N ATOM 986 CA PHE A 66 7.448 4.808 21.840 1.00 0.00 C ATOM 987 C PHE A 66 6.008 5.295 21.661 1.00 0.00 C ATOM 988 O PHE A 66 5.302 4.860 20.773 1.00 0.00 O ATOM 989 CB PHE A 66 7.584 4.106 23.194 1.00 0.00 C ATOM 990 CG PHE A 66 6.955 4.959 24.270 1.00 0.00 C ATOM 991 CD1 PHE A 66 7.684 6.005 24.848 1.00 0.00 C ATOM 992 CD2 PHE A 66 5.644 4.705 24.687 1.00 0.00 C ATOM 993 CE1 PHE A 66 7.101 6.796 25.846 1.00 0.00 C ATOM 994 CE2 PHE A 66 5.060 5.497 25.684 1.00 0.00 C ATOM 995 CZ PHE A 66 5.789 6.542 26.264 1.00 0.00 C ATOM 0 H PHE A 66 7.953 6.876 22.006 1.00 0.00 H new ATOM 0 HA PHE A 66 7.698 4.110 21.041 1.00 0.00 H new ATOM 0 HB2 PHE A 66 7.100 3.130 23.160 1.00 0.00 H new ATOM 0 HB3 PHE A 66 8.636 3.932 23.421 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.695 6.202 24.525 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.082 3.898 24.240 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.664 7.602 26.293 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.048 5.301 26.005 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.340 7.152 27.034 1.00 0.00 H new ATOM 1005 N ARG A 67 5.568 6.194 22.497 1.00 0.00 N ATOM 1006 CA ARG A 67 4.170 6.699 22.381 1.00 0.00 C ATOM 1007 C ARG A 67 3.929 7.209 20.959 1.00 0.00 C ATOM 1008 O ARG A 67 2.836 7.122 20.435 1.00 0.00 O ATOM 1009 CB ARG A 67 3.955 7.841 23.376 1.00 0.00 C ATOM 1010 CG ARG A 67 5.086 8.862 23.235 1.00 0.00 C ATOM 1011 CD ARG A 67 4.776 10.091 24.091 1.00 0.00 C ATOM 1012 NE ARG A 67 3.604 10.812 23.519 1.00 0.00 N ATOM 1013 CZ ARG A 67 2.983 11.714 24.229 1.00 0.00 C ATOM 1014 NH1 ARG A 67 3.390 11.987 25.439 1.00 0.00 N ATOM 1015 NH2 ARG A 67 1.957 12.346 23.727 1.00 0.00 N ATOM 0 H ARG A 67 6.115 6.601 23.255 1.00 0.00 H new ATOM 0 HA ARG A 67 3.472 5.891 22.601 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.993 8.320 23.193 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.928 7.451 24.393 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.031 8.418 23.547 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.199 9.153 22.191 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.565 9.789 25.117 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.642 10.752 24.125 1.00 0.00 H new ATOM 0 HE ARG A 67 3.287 10.601 22.573 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.194 11.495 25.830 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.904 12.692 25.994 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.641 12.135 22.780 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.471 13.051 24.281 1.00 0.00 H new ATOM 1029 N THR A 68 4.942 7.741 20.331 1.00 0.00 N ATOM 1030 CA THR A 68 4.768 8.260 18.945 1.00 0.00 C ATOM 1031 C THR A 68 5.491 7.338 17.961 1.00 0.00 C ATOM 1032 O THR A 68 5.028 7.100 16.862 1.00 0.00 O ATOM 1033 CB THR A 68 5.357 9.669 18.849 1.00 0.00 C ATOM 1034 OG1 THR A 68 6.607 9.704 19.524 1.00 0.00 O ATOM 1035 CG2 THR A 68 4.398 10.670 19.496 1.00 0.00 C ATOM 0 H THR A 68 5.881 7.839 20.717 1.00 0.00 H new ATOM 0 HA THR A 68 3.706 8.293 18.701 1.00 0.00 H new ATOM 0 HB THR A 68 5.501 9.933 17.801 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.760 10.603 19.883 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.818 11.673 19.427 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.439 10.642 18.978 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.252 10.409 20.544 1.00 0.00 H new ATOM 1043 N GLY A 69 6.624 6.816 18.345 1.00 0.00 N ATOM 1044 CA GLY A 69 7.374 5.907 17.433 1.00 0.00 C ATOM 1045 C GLY A 69 8.212 6.737 16.459 1.00 0.00 C ATOM 1046 O GLY A 69 7.996 6.714 15.264 1.00 0.00 O ATOM 0 H GLY A 69 7.063 6.980 19.251 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.019 5.246 18.012 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.679 5.273 16.882 1.00 0.00 H new ATOM 1050 N LYS A 70 9.168 7.470 16.961 1.00 0.00 N ATOM 1051 CA LYS A 70 10.011 8.309 16.063 1.00 0.00 C ATOM 1052 C LYS A 70 11.474 8.217 16.505 1.00 0.00 C ATOM 1053 O LYS A 70 11.771 7.873 17.633 1.00 0.00 O ATOM 1054 CB LYS A 70 9.547 9.765 16.140 1.00 0.00 C ATOM 1055 CG LYS A 70 9.657 10.261 17.583 1.00 0.00 C ATOM 1056 CD LYS A 70 9.121 11.691 17.674 1.00 0.00 C ATOM 1057 CE LYS A 70 9.186 12.169 19.126 1.00 0.00 C ATOM 1058 NZ LYS A 70 8.317 13.368 19.293 1.00 0.00 N ATOM 0 H LYS A 70 9.401 7.524 17.952 1.00 0.00 H new ATOM 0 HA LYS A 70 9.917 7.951 15.038 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.156 10.387 15.483 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.517 9.848 15.793 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.092 9.607 18.248 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.696 10.229 17.911 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.708 12.352 17.036 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.093 11.729 17.313 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.860 11.374 19.797 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.214 12.411 19.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.361 13.694 20.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.647 14.127 18.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.336 13.122 19.053 1.00 0.00 H new ATOM 1072 N MET A 71 12.390 8.520 15.626 1.00 0.00 N ATOM 1073 CA MET A 71 13.830 8.450 15.998 1.00 0.00 C ATOM 1074 C MET A 71 14.326 9.845 16.385 1.00 0.00 C ATOM 1075 O MET A 71 13.914 10.840 15.821 1.00 0.00 O ATOM 1076 CB MET A 71 14.640 7.936 14.805 1.00 0.00 C ATOM 1077 CG MET A 71 15.935 7.294 15.306 1.00 0.00 C ATOM 1078 SD MET A 71 15.563 5.692 16.063 1.00 0.00 S ATOM 1079 CE MET A 71 17.273 5.137 16.271 1.00 0.00 C ATOM 0 H MET A 71 12.203 8.813 14.667 1.00 0.00 H new ATOM 0 HA MET A 71 13.954 7.772 16.843 1.00 0.00 H new ATOM 0 HB2 MET A 71 14.056 7.209 14.241 1.00 0.00 H new ATOM 0 HB3 MET A 71 14.868 8.757 14.126 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.632 7.164 14.478 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.420 7.947 16.032 1.00 0.00 H new ATOM 0 HE1 MET A 71 17.369 4.602 17.216 1.00 0.00 H new ATOM 0 HE2 MET A 71 17.543 4.474 15.449 1.00 0.00 H new ATOM 0 HE3 MET A 71 17.938 6.001 16.274 1.00 0.00 H new