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 Set 1.1: A 62 SER OG : rot 180:sc= 0.145 USER MOD Set 1.2: A 63 CYS SG : rot 45:sc= 0.142 USER MOD Set 2.1: A 41 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -54:sc= 0.866 USER MOD Single : A 10 CYS SG : rot 180:sc= 0.13 USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= -0.0878 (180deg=-0.577) USER MOD Single : A 19 LYS NZ :NH3+ -152:sc= -1.44 (180deg=-3.14!) 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 7:sc= 0.639 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -15:sc= -1.54 USER MOD Single : A 39 SER OG : rot 180:sc= 0.376 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -177:sc= -2.74! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.55) USER MOD Single : A 57 ASN : amide:sc= -0.631 K(o=-0.63,f=-0.056) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.43 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -113:sc= -0.016 (180deg=-0.185) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -4.039 -0.972 12.593 1.00 0.00 N ATOM 53 CA GLY A 6 -3.216 0.240 12.867 1.00 0.00 C ATOM 54 C GLY A 6 -1.751 -0.165 13.037 1.00 0.00 C ATOM 55 O GLY A 6 -1.039 0.377 13.858 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.315 0.952 12.048 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.573 0.739 13.768 1.00 0.00 H new ATOM 59 N ARG A 7 -1.296 -1.116 12.267 1.00 0.00 N ATOM 60 CA ARG A 7 0.125 -1.551 12.383 1.00 0.00 C ATOM 61 C ARG A 7 1.012 -0.627 11.548 1.00 0.00 C ATOM 62 O ARG A 7 0.642 -0.200 10.472 1.00 0.00 O ATOM 63 CB ARG A 7 0.261 -2.987 11.871 1.00 0.00 C ATOM 64 CG ARG A 7 -0.557 -3.926 12.760 1.00 0.00 C ATOM 65 CD ARG A 7 -0.392 -5.366 12.270 1.00 0.00 C ATOM 66 NE ARG A 7 -1.284 -6.263 13.055 1.00 0.00 N ATOM 67 CZ ARG A 7 -1.072 -6.443 14.330 1.00 0.00 C ATOM 68 NH1 ARG A 7 -0.075 -5.836 14.917 1.00 0.00 N ATOM 69 NH2 ARG A 7 -1.853 -7.229 15.018 1.00 0.00 N ATOM 0 H ARG A 7 -1.846 -1.610 11.564 1.00 0.00 H new ATOM 0 HA ARG A 7 0.435 -1.505 13.427 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.086 -3.051 10.840 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.309 -3.288 11.874 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.227 -3.843 13.795 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.609 -3.641 12.737 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.636 -5.431 11.210 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.646 -5.682 12.379 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.062 -6.737 12.596 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.537 -5.222 14.379 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.092 -5.976 15.914 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.631 -7.704 14.560 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.686 -7.369 16.014 1.00 0.00 H new ATOM 83 N THR A 8 2.181 -0.313 12.036 1.00 0.00 N ATOM 84 CA THR A 8 3.086 0.597 11.277 1.00 0.00 C ATOM 85 C THR A 8 4.530 0.116 11.423 1.00 0.00 C ATOM 86 O THR A 8 4.900 -0.477 12.417 1.00 0.00 O ATOM 87 CB THR A 8 2.962 2.018 11.833 1.00 0.00 C ATOM 88 OG1 THR A 8 3.195 1.998 13.234 1.00 0.00 O ATOM 89 CG2 THR A 8 1.558 2.557 11.555 1.00 0.00 C ATOM 0 H THR A 8 2.549 -0.647 12.927 1.00 0.00 H new ATOM 0 HA THR A 8 2.807 0.593 10.223 1.00 0.00 H new ATOM 0 HB THR A 8 3.697 2.662 11.351 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.593 1.350 13.656 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.472 3.569 11.952 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.380 2.572 10.480 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.820 1.915 12.035 1.00 0.00 H new ATOM 97 N ASP A 9 5.351 0.365 10.439 1.00 0.00 N ATOM 98 CA ASP A 9 6.777 -0.055 10.534 1.00 0.00 C ATOM 99 C ASP A 9 7.680 1.175 10.427 1.00 0.00 C ATOM 100 O ASP A 9 7.602 1.934 9.482 1.00 0.00 O ATOM 101 CB ASP A 9 7.100 -1.024 9.396 1.00 0.00 C ATOM 102 CG ASP A 9 6.667 -2.438 9.790 1.00 0.00 C ATOM 103 OD1 ASP A 9 6.640 -2.718 10.976 1.00 0.00 O ATOM 104 OD2 ASP A 9 6.369 -3.215 8.898 1.00 0.00 O ATOM 0 H ASP A 9 5.095 0.841 9.574 1.00 0.00 H new ATOM 0 HA ASP A 9 6.947 -0.548 11.491 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.587 -0.716 8.485 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.169 -1.006 9.181 1.00 0.00 H new ATOM 109 N CYS A 10 8.538 1.379 11.390 1.00 0.00 N ATOM 110 CA CYS A 10 9.445 2.560 11.342 1.00 0.00 C ATOM 111 C CYS A 10 10.899 2.088 11.394 1.00 0.00 C ATOM 112 O CYS A 10 11.202 1.037 11.924 1.00 0.00 O ATOM 113 CB CYS A 10 9.162 3.470 12.539 1.00 0.00 C ATOM 114 SG CYS A 10 8.612 2.467 13.942 1.00 0.00 S ATOM 0 H CYS A 10 8.649 0.779 12.207 1.00 0.00 H new ATOM 0 HA CYS A 10 9.274 3.112 10.418 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.060 4.027 12.806 1.00 0.00 H new ATOM 0 HB3 CYS A 10 8.398 4.203 12.280 1.00 0.00 H new ATOM 0 HG CYS A 10 8.373 3.239 14.960 1.00 0.00 H new ATOM 120 N PRO A 11 11.791 2.865 10.843 1.00 0.00 N ATOM 121 CA PRO A 11 13.243 2.527 10.804 1.00 0.00 C ATOM 122 C PRO A 11 13.869 2.495 12.201 1.00 0.00 C ATOM 123 O PRO A 11 14.997 2.078 12.378 1.00 0.00 O ATOM 124 CB PRO A 11 13.857 3.653 9.971 1.00 0.00 C ATOM 125 CG PRO A 11 12.889 4.787 10.056 1.00 0.00 C ATOM 126 CD PRO A 11 11.509 4.155 10.195 1.00 0.00 C ATOM 0 HA PRO A 11 13.415 1.534 10.389 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.834 3.941 10.360 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.005 3.340 8.937 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.112 5.427 10.910 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.943 5.413 9.165 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.843 4.771 10.799 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.028 4.022 9.226 1.00 0.00 H new ATOM 134 N ALA A 12 13.146 2.931 13.196 1.00 0.00 N ATOM 135 CA ALA A 12 13.702 2.930 14.578 1.00 0.00 C ATOM 136 C ALA A 12 13.946 1.488 15.030 1.00 0.00 C ATOM 137 O ALA A 12 14.866 1.207 15.772 1.00 0.00 O ATOM 138 CB ALA A 12 12.708 3.601 15.529 1.00 0.00 C ATOM 0 H ALA A 12 12.194 3.288 13.111 1.00 0.00 H new ATOM 0 HA ALA A 12 14.644 3.479 14.590 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.115 3.600 16.540 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.534 4.628 15.208 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.766 3.053 15.517 1.00 0.00 H new ATOM 144 N LEU A 13 13.128 0.572 14.588 1.00 0.00 N ATOM 145 CA LEU A 13 13.302 -0.847 15.009 1.00 0.00 C ATOM 146 C LEU A 13 13.633 -1.703 13.784 1.00 0.00 C ATOM 147 O LEU A 13 13.206 -1.420 12.683 1.00 0.00 O ATOM 148 CB LEU A 13 12.006 -1.352 15.648 1.00 0.00 C ATOM 149 CG LEU A 13 11.878 -0.779 17.061 1.00 0.00 C ATOM 150 CD1 LEU A 13 10.401 -0.704 17.449 1.00 0.00 C ATOM 151 CD2 LEU A 13 12.619 -1.685 18.047 1.00 0.00 C ATOM 0 H LEU A 13 12.348 0.745 13.954 1.00 0.00 H new ATOM 0 HA LEU A 13 14.114 -0.915 15.732 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.149 -1.053 15.044 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.006 -2.441 15.684 1.00 0.00 H new ATOM 0 HG LEU A 13 12.312 0.221 17.089 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.309 -0.296 18.456 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.873 -0.059 16.747 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.966 -1.703 17.422 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.528 -1.278 19.054 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.185 -2.685 18.019 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.672 -1.739 17.771 1.00 0.00 H new ATOM 163 N PRO A 14 14.393 -2.746 13.983 1.00 0.00 N ATOM 164 CA PRO A 14 14.781 -3.683 12.890 1.00 0.00 C ATOM 165 C PRO A 14 13.602 -4.025 11.975 1.00 0.00 C ATOM 166 O PRO A 14 12.454 -3.918 12.361 1.00 0.00 O ATOM 167 CB PRO A 14 15.262 -4.935 13.630 1.00 0.00 C ATOM 168 CG PRO A 14 15.660 -4.467 14.991 1.00 0.00 C ATOM 169 CD PRO A 14 14.965 -3.144 15.279 1.00 0.00 C ATOM 0 HA PRO A 14 15.537 -3.248 12.237 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.472 -5.684 13.688 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.103 -5.398 13.113 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.384 -5.209 15.740 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.742 -4.345 15.046 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.191 -3.258 16.038 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.668 -2.398 15.650 1.00 0.00 H new ATOM 177 N PRO A 15 13.890 -4.434 10.770 1.00 0.00 N ATOM 178 CA PRO A 15 12.846 -4.776 9.762 1.00 0.00 C ATOM 179 C PRO A 15 11.906 -5.881 10.253 1.00 0.00 C ATOM 180 O PRO A 15 12.325 -6.987 10.533 1.00 0.00 O ATOM 181 CB PRO A 15 13.652 -5.258 8.554 1.00 0.00 C ATOM 182 CG PRO A 15 15.016 -5.563 9.083 1.00 0.00 C ATOM 183 CD PRO A 15 15.249 -4.615 10.237 1.00 0.00 C ATOM 0 HA PRO A 15 12.200 -3.926 9.544 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.198 -6.142 8.106 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.693 -4.493 7.779 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.081 -6.600 9.413 1.00 0.00 H new ATOM 0 HG3 PRO A 15 15.772 -5.426 8.310 1.00 0.00 H new ATOM 0 HD2 PRO A 15 15.925 -5.037 10.981 1.00 0.00 H new ATOM 0 HD3 PRO A 15 15.686 -3.672 9.908 1.00 0.00 H new ATOM 191 N GLY A 16 10.639 -5.589 10.359 1.00 0.00 N ATOM 192 CA GLY A 16 9.672 -6.627 10.819 1.00 0.00 C ATOM 193 C GLY A 16 8.928 -6.118 12.056 1.00 0.00 C ATOM 194 O GLY A 16 7.765 -6.408 12.255 1.00 0.00 O ATOM 0 H GLY A 16 10.231 -4.678 10.148 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.963 -6.857 10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.199 -7.552 11.053 1.00 0.00 H new ATOM 198 N TRP A 17 9.591 -5.362 12.888 1.00 0.00 N ATOM 199 CA TRP A 17 8.920 -4.833 14.109 1.00 0.00 C ATOM 200 C TRP A 17 7.738 -3.953 13.700 1.00 0.00 C ATOM 201 O TRP A 17 7.848 -3.116 12.826 1.00 0.00 O ATOM 202 CB TRP A 17 9.917 -4.004 14.921 1.00 0.00 C ATOM 203 CG TRP A 17 10.820 -4.918 15.685 1.00 0.00 C ATOM 204 CD1 TRP A 17 12.089 -5.230 15.333 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.547 -5.642 16.920 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.612 -6.099 16.274 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.700 -6.383 17.270 1.00 0.00 C ATOM 208 CE3 TRP A 17 9.423 -5.727 17.760 1.00 0.00 C ATOM 209 CZ2 TRP A 17 11.736 -7.180 18.416 1.00 0.00 C ATOM 210 CZ3 TRP A 17 9.456 -6.529 18.914 1.00 0.00 C ATOM 211 CH2 TRP A 17 10.611 -7.254 19.240 1.00 0.00 C ATOM 0 H TRP A 17 10.567 -5.088 12.775 1.00 0.00 H new ATOM 0 HA TRP A 17 8.561 -5.665 14.715 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.503 -3.368 14.257 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.385 -3.345 15.607 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.608 -4.861 14.461 1.00 0.00 H new ATOM 0 HE1 TRP A 17 13.556 -6.483 16.236 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.528 -5.173 17.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 12.628 -7.736 18.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 8.587 -6.587 19.553 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.631 -7.869 20.128 1.00 0.00 H new ATOM 222 N LYS A 18 6.607 -4.133 14.325 1.00 0.00 N ATOM 223 CA LYS A 18 5.418 -3.310 13.967 1.00 0.00 C ATOM 224 C LYS A 18 4.919 -2.567 15.207 1.00 0.00 C ATOM 225 O LYS A 18 4.973 -3.075 16.310 1.00 0.00 O ATOM 226 CB LYS A 18 4.309 -4.221 13.437 1.00 0.00 C ATOM 227 CG LYS A 18 4.727 -4.804 12.085 1.00 0.00 C ATOM 228 CD LYS A 18 3.621 -5.720 11.559 1.00 0.00 C ATOM 229 CE LYS A 18 4.011 -6.250 10.178 1.00 0.00 C ATOM 230 NZ LYS A 18 5.296 -6.998 10.278 1.00 0.00 N ATOM 0 H LYS A 18 6.455 -4.815 15.068 1.00 0.00 H new ATOM 0 HA LYS A 18 5.694 -2.588 13.198 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.114 -5.025 14.147 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.382 -3.658 13.331 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.917 -4.000 11.374 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.657 -5.363 12.190 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.464 -6.550 12.248 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.680 -5.173 11.498 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.227 -6.902 9.792 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.113 -5.423 9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.410 -7.605 9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.087 -6.324 10.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.289 -7.587 11.135 1.00 0.00 H new ATOM 244 N LYS A 19 4.432 -1.368 15.037 1.00 0.00 N ATOM 245 CA LYS A 19 3.930 -0.595 16.207 1.00 0.00 C ATOM 246 C LYS A 19 2.456 -0.246 15.994 1.00 0.00 C ATOM 247 O LYS A 19 2.053 0.164 14.924 1.00 0.00 O ATOM 248 CB LYS A 19 4.743 0.693 16.355 1.00 0.00 C ATOM 249 CG LYS A 19 4.279 1.451 17.601 1.00 0.00 C ATOM 250 CD LYS A 19 5.056 2.763 17.720 1.00 0.00 C ATOM 251 CE LYS A 19 4.455 3.801 16.770 1.00 0.00 C ATOM 252 NZ LYS A 19 5.038 5.140 17.064 1.00 0.00 N ATOM 0 H LYS A 19 4.360 -0.891 14.138 1.00 0.00 H new ATOM 0 HA LYS A 19 4.034 -1.196 17.110 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.804 0.458 16.434 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.619 1.317 15.470 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.210 1.654 17.539 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.437 0.841 18.490 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.018 3.129 18.746 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.106 2.599 17.479 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.658 3.523 15.736 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.372 3.831 16.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.356 5.880 16.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.254 5.209 18.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.912 5.266 16.515 1.00 0.00 H new ATOM 266 N GLU A 20 1.647 -0.405 17.007 1.00 0.00 N ATOM 267 CA GLU A 20 0.201 -0.074 16.863 1.00 0.00 C ATOM 268 C GLU A 20 -0.194 0.951 17.929 1.00 0.00 C ATOM 269 O GLU A 20 0.382 1.002 18.999 1.00 0.00 O ATOM 270 CB GLU A 20 -0.632 -1.344 17.043 1.00 0.00 C ATOM 271 CG GLU A 20 -2.110 -1.023 16.806 1.00 0.00 C ATOM 272 CD GLU A 20 -2.934 -2.309 16.904 1.00 0.00 C ATOM 273 OE1 GLU A 20 -2.339 -3.374 16.880 1.00 0.00 O ATOM 274 OE2 GLU A 20 -4.146 -2.206 17.000 1.00 0.00 O ATOM 0 H GLU A 20 1.925 -0.749 17.926 1.00 0.00 H new ATOM 0 HA GLU A 20 0.019 0.342 15.872 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.299 -2.112 16.345 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.492 -1.744 18.047 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.458 -0.298 17.542 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.241 -0.568 15.824 1.00 0.00 H new ATOM 281 N GLU A 21 -1.173 1.767 17.648 1.00 0.00 N ATOM 282 CA GLU A 21 -1.606 2.784 18.647 1.00 0.00 C ATOM 283 C GLU A 21 -3.118 2.682 18.856 1.00 0.00 C ATOM 284 O GLU A 21 -3.898 2.980 17.974 1.00 0.00 O ATOM 285 CB GLU A 21 -1.255 4.183 18.136 1.00 0.00 C ATOM 286 CG GLU A 21 -1.580 5.217 19.217 1.00 0.00 C ATOM 287 CD GLU A 21 -1.177 6.609 18.727 1.00 0.00 C ATOM 288 OE1 GLU A 21 -0.450 6.686 17.751 1.00 0.00 O ATOM 289 OE2 GLU A 21 -1.602 7.576 19.338 1.00 0.00 O ATOM 0 H GLU A 21 -1.692 1.773 16.770 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.095 2.604 19.593 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.197 4.232 17.877 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.817 4.402 17.228 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.645 5.195 19.448 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.049 4.976 20.138 1.00 0.00 H new ATOM 296 N VAL A 22 -3.538 2.264 20.019 1.00 0.00 N ATOM 297 CA VAL A 22 -4.999 2.128 20.279 1.00 0.00 C ATOM 298 C VAL A 22 -5.471 3.289 21.155 1.00 0.00 C ATOM 299 O VAL A 22 -4.883 3.591 22.173 1.00 0.00 O ATOM 300 CB VAL A 22 -5.268 0.804 20.998 1.00 0.00 C ATOM 301 CG1 VAL A 22 -6.712 0.781 21.502 1.00 0.00 C ATOM 302 CG2 VAL A 22 -5.049 -0.357 20.026 1.00 0.00 C ATOM 0 H VAL A 22 -2.933 2.011 20.800 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.540 2.144 19.333 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.587 0.705 21.843 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.904 -0.162 22.014 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.869 1.608 22.194 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.394 0.880 20.657 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.240 -1.301 20.537 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.730 -0.257 19.181 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.020 -0.341 19.666 1.00 0.00 H new ATOM 312 N ILE A 23 -6.531 3.945 20.766 1.00 0.00 N ATOM 313 CA ILE A 23 -7.046 5.077 21.586 1.00 0.00 C ATOM 314 C ILE A 23 -8.302 4.632 22.339 1.00 0.00 C ATOM 315 O ILE A 23 -9.120 3.897 21.821 1.00 0.00 O ATOM 316 CB ILE A 23 -7.391 6.254 20.671 1.00 0.00 C ATOM 317 CG1 ILE A 23 -6.144 6.671 19.887 1.00 0.00 C ATOM 318 CG2 ILE A 23 -7.879 7.432 21.515 1.00 0.00 C ATOM 319 CD1 ILE A 23 -6.542 7.634 18.768 1.00 0.00 C ATOM 0 H ILE A 23 -7.061 3.746 19.918 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.283 5.384 22.301 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.176 5.956 19.976 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.426 7.148 20.553 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.655 5.792 19.468 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.125 8.270 20.863 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.766 7.136 22.075 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.095 7.731 22.210 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.654 7.931 18.210 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.245 7.141 18.096 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.012 8.518 19.199 1.00 0.00 H new ATOM 331 N ARG A 24 -8.462 5.071 23.557 1.00 0.00 N ATOM 332 CA ARG A 24 -9.661 4.666 24.343 1.00 0.00 C ATOM 333 C ARG A 24 -10.899 4.718 23.448 1.00 0.00 C ATOM 334 O ARG A 24 -10.970 5.491 22.513 1.00 0.00 O ATOM 335 CB ARG A 24 -9.843 5.624 25.523 1.00 0.00 C ATOM 336 CG ARG A 24 -9.195 5.025 26.772 1.00 0.00 C ATOM 337 CD ARG A 24 -7.673 5.086 26.638 1.00 0.00 C ATOM 338 NE ARG A 24 -7.086 3.776 27.039 1.00 0.00 N ATOM 339 CZ ARG A 24 -7.360 3.270 28.210 1.00 0.00 C ATOM 340 NH1 ARG A 24 -8.155 3.909 29.026 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.841 2.127 28.566 1.00 0.00 N ATOM 0 H ARG A 24 -7.814 5.692 24.042 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.526 3.651 24.716 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.392 6.590 25.294 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.904 5.802 25.700 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.515 5.573 27.658 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.518 3.992 26.902 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.397 5.321 25.610 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.274 5.883 27.265 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.470 3.275 26.398 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.561 4.802 28.747 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.370 3.515 29.942 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.220 1.628 27.929 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.056 1.732 29.482 1.00 0.00 H new ATOM 355 N LYS A 25 -11.879 3.902 23.725 1.00 0.00 N ATOM 356 CA LYS A 25 -13.100 3.886 22.872 1.00 0.00 C ATOM 357 C LYS A 25 -14.285 4.433 23.670 1.00 0.00 C ATOM 358 O LYS A 25 -15.219 4.980 23.116 1.00 0.00 O ATOM 359 CB LYS A 25 -13.399 2.448 22.437 1.00 0.00 C ATOM 360 CG LYS A 25 -12.319 1.976 21.462 1.00 0.00 C ATOM 361 CD LYS A 25 -12.588 0.521 21.068 1.00 0.00 C ATOM 362 CE LYS A 25 -11.536 0.063 20.056 1.00 0.00 C ATOM 363 NZ LYS A 25 -11.801 -1.352 19.672 1.00 0.00 N ATOM 0 H LYS A 25 -11.886 3.246 24.506 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.937 4.506 21.991 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.430 1.792 23.307 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.379 2.396 21.964 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.313 2.609 20.575 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.335 2.063 21.922 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.560 -0.117 21.951 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.586 0.428 20.639 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.562 0.702 19.173 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.538 0.154 20.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.086 -1.665 18.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.755 -1.956 20.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.747 -1.425 19.246 1.00 0.00 H new ATOM 377 N SER A 26 -14.257 4.291 24.967 1.00 0.00 N ATOM 378 CA SER A 26 -15.393 4.782 25.795 1.00 0.00 C ATOM 379 C SER A 26 -14.852 5.439 27.066 1.00 0.00 C ATOM 380 O SER A 26 -13.714 5.239 27.444 1.00 0.00 O ATOM 381 CB SER A 26 -16.294 3.606 26.173 1.00 0.00 C ATOM 382 OG SER A 26 -15.507 2.587 26.776 1.00 0.00 O ATOM 0 H SER A 26 -13.496 3.856 25.489 1.00 0.00 H new ATOM 0 HA SER A 26 -15.968 5.512 25.226 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.072 3.936 26.861 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.796 3.218 25.287 1.00 0.00 H new ATOM 0 HG SER A 26 -16.082 1.832 27.021 1.00 0.00 H new ATOM 388 N GLY A 27 -15.658 6.223 27.730 1.00 0.00 N ATOM 389 CA GLY A 27 -15.190 6.890 28.977 1.00 0.00 C ATOM 390 C GLY A 27 -14.923 8.370 28.695 1.00 0.00 C ATOM 391 O GLY A 27 -14.420 8.732 27.651 1.00 0.00 O ATOM 0 H GLY A 27 -16.620 6.430 27.462 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.941 6.788 29.760 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.282 6.409 29.341 1.00 0.00 H new ATOM 395 N LEU A 28 -15.255 9.229 29.620 1.00 0.00 N ATOM 396 CA LEU A 28 -15.030 10.685 29.399 1.00 0.00 C ATOM 397 C LEU A 28 -13.536 10.946 29.202 1.00 0.00 C ATOM 398 O LEU A 28 -13.135 11.997 28.740 1.00 0.00 O ATOM 399 CB LEU A 28 -15.529 11.469 30.615 1.00 0.00 C ATOM 400 CG LEU A 28 -15.759 12.929 30.223 1.00 0.00 C ATOM 401 CD1 LEU A 28 -17.144 13.076 29.590 1.00 0.00 C ATOM 402 CD2 LEU A 28 -15.674 13.811 31.471 1.00 0.00 C ATOM 0 H LEU A 28 -15.672 8.985 30.518 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.575 11.006 28.511 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -16.455 11.031 30.988 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.800 11.409 31.423 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.997 13.237 29.506 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -17.308 14.117 29.311 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -17.207 12.448 28.702 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -17.906 12.768 30.306 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.838 14.852 31.193 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -16.436 13.503 32.187 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.688 13.707 31.923 1.00 0.00 H new ATOM 414 N SER A 29 -12.708 9.999 29.548 1.00 0.00 N ATOM 415 CA SER A 29 -11.239 10.202 29.400 1.00 0.00 C ATOM 416 C SER A 29 -10.861 10.133 27.920 1.00 0.00 C ATOM 417 O SER A 29 -9.715 9.929 27.571 1.00 0.00 O ATOM 418 CB SER A 29 -10.494 9.109 30.169 1.00 0.00 C ATOM 419 OG SER A 29 -10.764 7.849 29.570 1.00 0.00 O ATOM 0 H SER A 29 -12.985 9.093 29.927 1.00 0.00 H new ATOM 0 HA SER A 29 -10.965 11.179 29.799 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.422 9.307 30.160 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.808 9.104 31.213 1.00 0.00 H new ATOM 0 HG SER A 29 -10.287 7.146 30.058 1.00 0.00 H new ATOM 425 N ALA A 30 -11.815 10.301 27.046 1.00 0.00 N ATOM 426 CA ALA A 30 -11.506 10.262 25.589 1.00 0.00 C ATOM 427 C ALA A 30 -10.305 11.164 25.298 1.00 0.00 C ATOM 428 O ALA A 30 -10.291 12.328 25.646 1.00 0.00 O ATOM 429 CB ALA A 30 -12.719 10.757 24.797 1.00 0.00 C ATOM 0 H ALA A 30 -12.795 10.464 27.278 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.272 9.239 25.294 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.494 10.729 23.731 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.575 10.115 25.004 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.953 11.780 25.091 1.00 0.00 H new ATOM 435 N GLY A 31 -9.295 10.635 24.662 1.00 0.00 N ATOM 436 CA GLY A 31 -8.088 11.459 24.364 1.00 0.00 C ATOM 437 C GLY A 31 -6.835 10.717 24.834 1.00 0.00 C ATOM 438 O GLY A 31 -5.752 10.928 24.326 1.00 0.00 O ATOM 0 H GLY A 31 -9.253 9.669 24.336 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.026 11.658 23.294 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.161 12.425 24.864 1.00 0.00 H new ATOM 442 N LYS A 32 -6.974 9.851 25.800 1.00 0.00 N ATOM 443 CA LYS A 32 -5.798 9.063 26.267 1.00 0.00 C ATOM 444 C LYS A 32 -5.594 7.857 25.348 1.00 0.00 C ATOM 445 O LYS A 32 -6.539 7.273 24.857 1.00 0.00 O ATOM 446 CB LYS A 32 -6.045 8.580 27.697 1.00 0.00 C ATOM 447 CG LYS A 32 -4.874 7.705 28.150 1.00 0.00 C ATOM 448 CD LYS A 32 -5.042 7.353 29.630 1.00 0.00 C ATOM 449 CE LYS A 32 -6.092 6.251 29.778 1.00 0.00 C ATOM 450 NZ LYS A 32 -6.049 5.706 31.164 1.00 0.00 N ATOM 0 H LYS A 32 -7.849 9.655 26.286 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.907 9.690 26.244 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.155 9.433 28.366 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.975 8.014 27.745 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.833 6.795 27.551 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.932 8.231 27.995 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.091 7.021 30.046 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.345 8.236 30.192 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.084 6.648 29.563 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.904 5.455 29.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.763 4.957 31.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.105 5.313 31.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.249 6.468 31.843 1.00 0.00 H new ATOM 464 N SER A 33 -4.367 7.480 25.111 1.00 0.00 N ATOM 465 CA SER A 33 -4.102 6.353 24.175 1.00 0.00 C ATOM 466 C SER A 33 -2.900 5.548 24.671 1.00 0.00 C ATOM 467 O SER A 33 -2.126 6.010 25.485 1.00 0.00 O ATOM 468 CB SER A 33 -3.804 6.908 22.781 1.00 0.00 C ATOM 469 OG SER A 33 -3.890 5.856 21.829 1.00 0.00 O ATOM 0 H SER A 33 -3.537 7.904 25.526 1.00 0.00 H new ATOM 0 HA SER A 33 -4.978 5.706 24.129 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.513 7.698 22.532 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.809 7.353 22.759 1.00 0.00 H new ATOM 0 HG SER A 33 -4.223 5.045 22.267 1.00 0.00 H new ATOM 475 N ASP A 34 -2.736 4.347 24.185 1.00 0.00 N ATOM 476 CA ASP A 34 -1.573 3.522 24.616 1.00 0.00 C ATOM 477 C ASP A 34 -0.845 2.986 23.382 1.00 0.00 C ATOM 478 O ASP A 34 -1.442 2.751 22.349 1.00 0.00 O ATOM 479 CB ASP A 34 -2.067 2.349 25.466 1.00 0.00 C ATOM 480 CG ASP A 34 -2.542 2.868 26.824 1.00 0.00 C ATOM 481 OD1 ASP A 34 -2.326 4.037 27.098 1.00 0.00 O ATOM 482 OD2 ASP A 34 -3.115 2.088 27.567 1.00 0.00 O ATOM 0 H ASP A 34 -3.357 3.903 23.509 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.890 4.135 25.204 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.881 1.834 24.956 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.266 1.622 25.602 1.00 0.00 H new ATOM 487 N VAL A 35 0.442 2.790 23.478 1.00 0.00 N ATOM 488 CA VAL A 35 1.209 2.289 22.303 1.00 0.00 C ATOM 489 C VAL A 35 1.508 0.799 22.486 1.00 0.00 C ATOM 490 O VAL A 35 2.011 0.379 23.509 1.00 0.00 O ATOM 491 CB VAL A 35 2.523 3.062 22.185 1.00 0.00 C ATOM 492 CG1 VAL A 35 3.204 2.715 20.860 1.00 0.00 C ATOM 493 CG2 VAL A 35 2.236 4.564 22.231 1.00 0.00 C ATOM 0 H VAL A 35 0.995 2.955 24.319 1.00 0.00 H new ATOM 0 HA VAL A 35 0.620 2.433 21.397 1.00 0.00 H new ATOM 0 HB VAL A 35 3.179 2.790 23.012 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.140 3.267 20.777 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.409 1.645 20.825 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.549 2.986 20.032 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.172 5.116 22.147 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.580 4.835 21.404 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.751 4.813 23.175 1.00 0.00 H new ATOM 503 N TYR A 36 1.203 -0.001 21.502 1.00 0.00 N ATOM 504 CA TYR A 36 1.506 -1.457 21.605 1.00 0.00 C ATOM 505 C TYR A 36 2.548 -1.835 20.551 1.00 0.00 C ATOM 506 O TYR A 36 2.586 -1.275 19.473 1.00 0.00 O ATOM 507 CB TYR A 36 0.226 -2.262 21.368 1.00 0.00 C ATOM 508 CG TYR A 36 -0.706 -2.084 22.543 1.00 0.00 C ATOM 509 CD1 TYR A 36 -1.620 -1.024 22.558 1.00 0.00 C ATOM 510 CD2 TYR A 36 -0.656 -2.980 23.619 1.00 0.00 C ATOM 511 CE1 TYR A 36 -2.484 -0.859 23.646 1.00 0.00 C ATOM 512 CE2 TYR A 36 -1.520 -2.815 24.707 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.434 -1.755 24.722 1.00 0.00 C ATOM 514 OH TYR A 36 -3.286 -1.592 25.795 1.00 0.00 O ATOM 0 H TYR A 36 0.757 0.290 20.632 1.00 0.00 H new ATOM 0 HA TYR A 36 1.896 -1.679 22.598 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.260 -1.930 20.451 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.466 -3.317 21.237 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.658 -0.333 21.729 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.049 -3.798 23.609 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.189 -0.041 23.656 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.482 -3.506 25.536 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.122 -2.299 26.453 1.00 0.00 H new ATOM 524 N TYR A 37 3.394 -2.782 20.852 1.00 0.00 N ATOM 525 CA TYR A 37 4.440 -3.185 19.871 1.00 0.00 C ATOM 526 C TYR A 37 4.329 -4.685 19.594 1.00 0.00 C ATOM 527 O TYR A 37 4.136 -5.480 20.492 1.00 0.00 O ATOM 528 CB TYR A 37 5.824 -2.873 20.444 1.00 0.00 C ATOM 529 CG TYR A 37 6.095 -1.393 20.329 1.00 0.00 C ATOM 530 CD1 TYR A 37 5.604 -0.514 21.301 1.00 0.00 C ATOM 531 CD2 TYR A 37 6.839 -0.899 19.250 1.00 0.00 C ATOM 532 CE1 TYR A 37 5.855 0.860 21.194 1.00 0.00 C ATOM 533 CE2 TYR A 37 7.091 0.474 19.144 1.00 0.00 C ATOM 534 CZ TYR A 37 6.599 1.353 20.116 1.00 0.00 C ATOM 535 OH TYR A 37 6.847 2.706 20.010 1.00 0.00 O ATOM 0 H TYR A 37 3.406 -3.294 21.734 1.00 0.00 H new ATOM 0 HA TYR A 37 4.299 -2.633 18.942 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.875 -3.183 21.488 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.587 -3.436 19.907 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.031 -0.895 22.134 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.218 -1.577 18.500 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.475 1.539 21.943 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.665 0.855 18.312 1.00 0.00 H new ATOM 0 HH TYR A 37 6.252 3.196 20.615 1.00 0.00 H new ATOM 545 N PHE A 38 4.449 -5.080 18.355 1.00 0.00 N ATOM 546 CA PHE A 38 4.367 -6.531 18.024 1.00 0.00 C ATOM 547 C PHE A 38 5.690 -6.988 17.406 1.00 0.00 C ATOM 548 O PHE A 38 6.235 -6.341 16.536 1.00 0.00 O ATOM 549 CB PHE A 38 3.230 -6.764 17.027 1.00 0.00 C ATOM 550 CG PHE A 38 1.904 -6.561 17.719 1.00 0.00 C ATOM 551 CD1 PHE A 38 1.354 -5.276 17.817 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.223 -7.656 18.262 1.00 0.00 C ATOM 553 CE1 PHE A 38 0.124 -5.088 18.458 1.00 0.00 C ATOM 554 CE2 PHE A 38 -0.008 -7.468 18.903 1.00 0.00 C ATOM 555 CZ PHE A 38 -0.557 -6.184 19.001 1.00 0.00 C ATOM 0 H PHE A 38 4.600 -4.461 17.559 1.00 0.00 H new ATOM 0 HA PHE A 38 4.174 -7.101 18.933 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.323 -6.076 16.186 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.289 -7.774 16.621 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.879 -4.430 17.398 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.647 -8.647 18.187 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.300 -4.097 18.534 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.534 -8.314 19.322 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.506 -6.039 19.496 1.00 0.00 H new ATOM 565 N SER A 39 6.209 -8.100 17.850 1.00 0.00 N ATOM 566 CA SER A 39 7.492 -8.602 17.282 1.00 0.00 C ATOM 567 C SER A 39 7.195 -9.598 16.159 1.00 0.00 C ATOM 568 O SER A 39 6.131 -10.181 16.099 1.00 0.00 O ATOM 569 CB SER A 39 8.299 -9.296 18.378 1.00 0.00 C ATOM 570 OG SER A 39 8.030 -10.691 18.349 1.00 0.00 O ATOM 0 H SER A 39 5.800 -8.682 18.581 1.00 0.00 H new ATOM 0 HA SER A 39 8.066 -7.765 16.885 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.364 -9.116 18.230 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.039 -8.884 19.353 1.00 0.00 H new ATOM 0 HG SER A 39 8.548 -11.139 19.050 1.00 0.00 H new ATOM 576 N PRO A 40 8.138 -9.790 15.276 1.00 0.00 N ATOM 577 CA PRO A 40 8.000 -10.747 14.142 1.00 0.00 C ATOM 578 C PRO A 40 7.686 -12.168 14.619 1.00 0.00 C ATOM 579 O PRO A 40 7.329 -13.030 13.841 1.00 0.00 O ATOM 580 CB PRO A 40 9.369 -10.702 13.463 1.00 0.00 C ATOM 581 CG PRO A 40 10.289 -10.080 14.461 1.00 0.00 C ATOM 582 CD PRO A 40 9.442 -9.109 15.265 1.00 0.00 C ATOM 0 HA PRO A 40 7.176 -10.477 13.481 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.705 -11.702 13.190 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.332 -10.116 12.544 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.733 -10.837 15.107 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.110 -9.563 13.965 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.834 -8.959 16.271 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.387 -8.127 14.795 1.00 0.00 H new ATOM 590 N SER A 41 7.813 -12.418 15.893 1.00 0.00 N ATOM 591 CA SER A 41 7.508 -13.778 16.420 1.00 0.00 C ATOM 592 C SER A 41 6.004 -13.901 16.673 1.00 0.00 C ATOM 593 O SER A 41 5.508 -14.953 17.021 1.00 0.00 O ATOM 594 CB SER A 41 8.265 -14.000 17.730 1.00 0.00 C ATOM 595 OG SER A 41 9.663 -13.931 17.482 1.00 0.00 O ATOM 0 H SER A 41 8.115 -11.739 16.592 1.00 0.00 H new ATOM 0 HA SER A 41 7.817 -14.527 15.691 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.976 -13.246 18.462 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.006 -14.971 18.153 1.00 0.00 H new ATOM 0 HG SER A 41 10.151 -14.071 18.320 1.00 0.00 H new ATOM 601 N GLY A 42 5.275 -12.833 16.499 1.00 0.00 N ATOM 602 CA GLY A 42 3.802 -12.892 16.715 1.00 0.00 C ATOM 603 C GLY A 42 3.487 -12.600 18.183 1.00 0.00 C ATOM 604 O GLY A 42 2.341 -12.526 18.579 1.00 0.00 O ATOM 0 H GLY A 42 5.636 -11.922 16.216 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.301 -12.167 16.074 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.423 -13.876 16.440 1.00 0.00 H new ATOM 608 N LYS A 43 4.496 -12.431 18.994 1.00 0.00 N ATOM 609 CA LYS A 43 4.253 -12.155 20.437 1.00 0.00 C ATOM 610 C LYS A 43 3.823 -10.698 20.613 1.00 0.00 C ATOM 611 O LYS A 43 4.327 -9.809 19.956 1.00 0.00 O ATOM 612 CB LYS A 43 5.540 -12.405 21.228 1.00 0.00 C ATOM 613 CG LYS A 43 5.300 -12.094 22.707 1.00 0.00 C ATOM 614 CD LYS A 43 6.595 -12.315 23.491 1.00 0.00 C ATOM 615 CE LYS A 43 6.636 -13.751 24.016 1.00 0.00 C ATOM 616 NZ LYS A 43 5.836 -13.845 25.269 1.00 0.00 N ATOM 0 H LYS A 43 5.477 -12.472 18.719 1.00 0.00 H new ATOM 0 HA LYS A 43 3.466 -12.813 20.805 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.856 -13.442 21.110 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.345 -11.780 20.840 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.963 -11.064 22.823 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.510 -12.734 23.101 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.457 -12.126 22.851 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.654 -11.611 24.321 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.239 -14.435 23.266 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.667 -14.051 24.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.864 -14.821 25.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.234 -13.203 25.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.851 -13.576 25.073 1.00 0.00 H new ATOM 630 N LYS A 44 2.894 -10.445 21.494 1.00 0.00 N ATOM 631 CA LYS A 44 2.429 -9.046 21.707 1.00 0.00 C ATOM 632 C LYS A 44 3.242 -8.405 22.834 1.00 0.00 C ATOM 633 O LYS A 44 3.603 -9.052 23.797 1.00 0.00 O ATOM 634 CB LYS A 44 0.947 -9.053 22.086 1.00 0.00 C ATOM 635 CG LYS A 44 0.471 -7.617 22.315 1.00 0.00 C ATOM 636 CD LYS A 44 -1.023 -7.619 22.641 1.00 0.00 C ATOM 637 CE LYS A 44 -1.506 -6.181 22.837 1.00 0.00 C ATOM 638 NZ LYS A 44 -2.990 -6.169 22.972 1.00 0.00 N ATOM 0 H LYS A 44 2.437 -11.147 22.076 1.00 0.00 H new ATOM 0 HA LYS A 44 2.566 -8.474 20.790 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.361 -9.520 21.294 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.794 -9.646 22.988 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.031 -7.163 23.132 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.659 -7.014 21.426 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.581 -8.094 21.834 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.208 -8.202 23.543 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.046 -5.750 23.726 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.202 -5.566 21.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.319 -5.191 23.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.420 -6.565 22.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.269 -6.743 23.793 1.00 0.00 H new ATOM 652 N PHE A 45 3.532 -7.137 22.723 1.00 0.00 N ATOM 653 CA PHE A 45 4.337 -6.462 23.779 1.00 0.00 C ATOM 654 C PHE A 45 3.615 -5.194 24.240 1.00 0.00 C ATOM 655 O PHE A 45 2.840 -4.609 23.510 1.00 0.00 O ATOM 656 CB PHE A 45 5.709 -6.090 23.214 1.00 0.00 C ATOM 657 CG PHE A 45 6.600 -7.309 23.209 1.00 0.00 C ATOM 658 CD1 PHE A 45 7.394 -7.600 24.325 1.00 0.00 C ATOM 659 CD2 PHE A 45 6.633 -8.147 22.088 1.00 0.00 C ATOM 660 CE1 PHE A 45 8.220 -8.731 24.320 1.00 0.00 C ATOM 661 CE2 PHE A 45 7.459 -9.277 22.083 1.00 0.00 C ATOM 662 CZ PHE A 45 8.252 -9.569 23.200 1.00 0.00 C ATOM 0 H PHE A 45 3.246 -6.540 21.947 1.00 0.00 H new ATOM 0 HA PHE A 45 4.463 -7.136 24.626 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.603 -5.700 22.202 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.159 -5.300 23.815 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.369 -6.953 25.189 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.021 -7.922 21.227 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.832 -8.956 25.181 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.485 -9.923 21.218 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.889 -10.441 23.197 1.00 0.00 H new ATOM 672 N ARG A 46 3.862 -4.767 25.448 1.00 0.00 N ATOM 673 CA ARG A 46 3.203 -3.528 25.950 1.00 0.00 C ATOM 674 C ARG A 46 4.006 -2.962 27.123 1.00 0.00 C ATOM 675 O ARG A 46 3.552 -2.948 28.250 1.00 0.00 O ATOM 676 CB ARG A 46 1.783 -3.857 26.415 1.00 0.00 C ATOM 677 CG ARG A 46 1.734 -5.301 26.921 1.00 0.00 C ATOM 678 CD ARG A 46 0.475 -5.502 27.768 1.00 0.00 C ATOM 679 NE ARG A 46 0.601 -4.728 29.034 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.451 -4.523 29.780 1.00 0.00 C ATOM 681 NH1 ARG A 46 -1.612 -4.996 29.416 1.00 0.00 N ATOM 682 NH2 ARG A 46 -0.342 -3.844 30.889 1.00 0.00 N ATOM 0 H ARG A 46 4.491 -5.222 26.109 1.00 0.00 H new ATOM 0 HA ARG A 46 3.161 -2.790 25.149 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.480 -3.172 27.207 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.080 -3.724 25.593 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.733 -5.993 26.079 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.622 -5.521 27.513 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.405 -5.174 27.215 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.337 -6.561 27.988 1.00 0.00 H new ATOM 0 HE ARG A 46 1.508 -4.358 29.318 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.698 -5.526 28.549 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.434 -4.836 29.999 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.565 -3.473 31.173 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.164 -3.684 31.472 1.00 0.00 H new ATOM 696 N SER A 47 5.199 -2.498 26.868 1.00 0.00 N ATOM 697 CA SER A 47 6.042 -1.963 27.974 1.00 0.00 C ATOM 698 C SER A 47 7.484 -1.807 27.486 1.00 0.00 C ATOM 699 O SER A 47 8.121 -2.761 27.086 1.00 0.00 O ATOM 700 CB SER A 47 6.007 -2.932 29.156 1.00 0.00 C ATOM 701 OG SER A 47 7.338 -3.230 29.558 1.00 0.00 O ATOM 0 H SER A 47 5.626 -2.466 25.942 1.00 0.00 H new ATOM 0 HA SER A 47 5.657 -0.993 28.288 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.454 -2.492 29.986 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.486 -3.847 28.876 1.00 0.00 H new ATOM 0 HG SER A 47 7.321 -3.887 30.285 1.00 0.00 H new ATOM 707 N LYS A 48 8.003 -0.610 27.514 1.00 0.00 N ATOM 708 CA LYS A 48 9.405 -0.395 27.057 1.00 0.00 C ATOM 709 C LYS A 48 10.309 -1.473 27.659 1.00 0.00 C ATOM 710 O LYS A 48 11.020 -2.163 26.956 1.00 0.00 O ATOM 711 CB LYS A 48 9.883 0.985 27.514 1.00 0.00 C ATOM 712 CG LYS A 48 11.412 1.018 27.528 1.00 0.00 C ATOM 713 CD LYS A 48 11.892 2.471 27.507 1.00 0.00 C ATOM 714 CE LYS A 48 13.290 2.556 28.120 1.00 0.00 C ATOM 715 NZ LYS A 48 13.933 3.839 27.714 1.00 0.00 N ATOM 0 H LYS A 48 7.517 0.228 27.833 1.00 0.00 H new ATOM 0 HA LYS A 48 9.446 -0.453 25.969 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.498 1.755 26.845 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.495 1.205 28.509 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.789 0.512 28.417 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.806 0.481 26.665 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.909 2.845 26.483 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.200 3.102 28.065 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.227 2.496 29.207 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.896 1.712 27.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.884 3.898 28.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.006 3.878 26.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.358 4.637 28.051 1.00 0.00 H new ATOM 729 N PRO A 49 10.279 -1.611 28.956 1.00 0.00 N ATOM 730 CA PRO A 49 11.097 -2.626 29.680 1.00 0.00 C ATOM 731 C PRO A 49 10.820 -4.051 29.191 1.00 0.00 C ATOM 732 O PRO A 49 11.638 -4.937 29.339 1.00 0.00 O ATOM 733 CB PRO A 49 10.662 -2.469 31.139 1.00 0.00 C ATOM 734 CG PRO A 49 9.383 -1.699 31.092 1.00 0.00 C ATOM 735 CD PRO A 49 9.459 -0.808 29.876 1.00 0.00 C ATOM 0 HA PRO A 49 12.165 -2.471 29.524 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.518 -3.440 31.613 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.418 -1.940 31.719 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.528 -2.372 31.026 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.254 -1.107 31.998 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.472 -0.596 29.464 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.922 0.152 30.103 1.00 0.00 H new ATOM 743 N GLN A 50 9.674 -4.277 28.609 1.00 0.00 N ATOM 744 CA GLN A 50 9.361 -5.636 28.083 1.00 0.00 C ATOM 745 C GLN A 50 10.126 -5.869 26.779 1.00 0.00 C ATOM 746 O GLN A 50 10.815 -6.857 26.619 1.00 0.00 O ATOM 747 CB GLN A 50 7.859 -5.747 27.820 1.00 0.00 C ATOM 748 CG GLN A 50 7.460 -7.223 27.752 1.00 0.00 C ATOM 749 CD GLN A 50 7.542 -7.839 29.149 1.00 0.00 C ATOM 750 OE1 GLN A 50 7.016 -7.292 30.099 1.00 0.00 O ATOM 751 NE2 GLN A 50 8.183 -8.964 29.316 1.00 0.00 N ATOM 0 H GLN A 50 8.941 -3.580 28.475 1.00 0.00 H new ATOM 0 HA GLN A 50 9.658 -6.386 28.816 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.302 -5.245 28.611 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.605 -5.247 26.885 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.448 -7.319 27.360 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.119 -7.758 27.068 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.624 -9.423 28.519 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.243 -9.384 30.244 1.00 0.00 H new ATOM 760 N LEU A 51 10.009 -4.967 25.842 1.00 0.00 N ATOM 761 CA LEU A 51 10.757 -5.120 24.563 1.00 0.00 C ATOM 762 C LEU A 51 12.260 -5.052 24.837 1.00 0.00 C ATOM 763 O LEU A 51 13.031 -5.838 24.323 1.00 0.00 O ATOM 764 CB LEU A 51 10.361 -3.995 23.604 1.00 0.00 C ATOM 765 CG LEU A 51 11.229 -4.066 22.348 1.00 0.00 C ATOM 766 CD1 LEU A 51 11.070 -5.438 21.692 1.00 0.00 C ATOM 767 CD2 LEU A 51 10.791 -2.978 21.363 1.00 0.00 C ATOM 0 H LEU A 51 9.428 -4.131 25.908 1.00 0.00 H new ATOM 0 HA LEU A 51 10.515 -6.083 24.114 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.308 -4.085 23.337 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.485 -3.028 24.090 1.00 0.00 H new ATOM 0 HG LEU A 51 12.273 -3.913 22.621 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.690 -5.487 20.797 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.381 -6.214 22.391 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.026 -5.592 21.420 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.410 -3.028 20.467 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.747 -3.132 21.092 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.905 -1.999 21.828 1.00 0.00 H new ATOM 779 N ALA A 52 12.683 -4.117 25.643 1.00 0.00 N ATOM 780 CA ALA A 52 14.136 -4.008 25.962 1.00 0.00 C ATOM 781 C ALA A 52 14.645 -5.349 26.494 1.00 0.00 C ATOM 782 O ALA A 52 15.715 -5.804 26.136 1.00 0.00 O ATOM 783 CB ALA A 52 14.344 -2.928 27.025 1.00 0.00 C ATOM 0 H ALA A 52 12.086 -3.424 26.095 1.00 0.00 H new ATOM 0 HA ALA A 52 14.686 -3.743 25.059 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.406 -2.847 27.259 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.982 -1.972 26.648 1.00 0.00 H new ATOM 0 HB3 ALA A 52 13.793 -3.194 27.927 1.00 0.00 H new ATOM 789 N ARG A 53 13.891 -5.984 27.347 1.00 0.00 N ATOM 790 CA ARG A 53 14.323 -7.305 27.886 1.00 0.00 C ATOM 791 C ARG A 53 14.446 -8.312 26.740 1.00 0.00 C ATOM 792 O ARG A 53 15.336 -9.138 26.720 1.00 0.00 O ATOM 793 CB ARG A 53 13.289 -7.804 28.897 1.00 0.00 C ATOM 794 CG ARG A 53 13.812 -9.071 29.576 1.00 0.00 C ATOM 795 CD ARG A 53 12.696 -9.704 30.410 1.00 0.00 C ATOM 796 NE ARG A 53 11.921 -8.632 31.096 1.00 0.00 N ATOM 797 CZ ARG A 53 12.516 -7.842 31.948 1.00 0.00 C ATOM 798 NH1 ARG A 53 13.790 -7.986 32.192 1.00 0.00 N ATOM 799 NH2 ARG A 53 11.838 -6.907 32.554 1.00 0.00 N ATOM 0 H ARG A 53 12.994 -5.646 27.695 1.00 0.00 H new ATOM 0 HA ARG A 53 15.290 -7.198 28.377 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.092 -7.034 29.643 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.344 -8.011 28.395 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.165 -9.779 28.826 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.663 -8.830 30.212 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.037 -10.291 29.770 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.120 -10.388 31.145 1.00 0.00 H new ATOM 0 HE ARG A 53 10.927 -8.516 30.900 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.321 -8.716 31.717 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.255 -7.369 32.858 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.843 -6.793 32.362 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.303 -6.290 33.220 1.00 0.00 H new ATOM 813 N TYR A 54 13.558 -8.251 25.786 1.00 0.00 N ATOM 814 CA TYR A 54 13.623 -9.211 24.649 1.00 0.00 C ATOM 815 C TYR A 54 14.904 -8.971 23.848 1.00 0.00 C ATOM 816 O TYR A 54 15.641 -9.890 23.547 1.00 0.00 O ATOM 817 CB TYR A 54 12.409 -9.007 23.739 1.00 0.00 C ATOM 818 CG TYR A 54 12.446 -10.018 22.617 1.00 0.00 C ATOM 819 CD1 TYR A 54 12.046 -11.339 22.852 1.00 0.00 C ATOM 820 CD2 TYR A 54 12.878 -9.634 21.343 1.00 0.00 C ATOM 821 CE1 TYR A 54 12.080 -12.276 21.813 1.00 0.00 C ATOM 822 CE2 TYR A 54 12.912 -10.570 20.303 1.00 0.00 C ATOM 823 CZ TYR A 54 12.513 -11.891 20.538 1.00 0.00 C ATOM 824 OH TYR A 54 12.548 -12.815 19.513 1.00 0.00 O ATOM 0 H TYR A 54 12.792 -7.579 25.745 1.00 0.00 H new ATOM 0 HA TYR A 54 13.622 -10.230 25.036 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.489 -9.117 24.312 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.412 -7.996 23.332 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.711 -11.635 23.835 1.00 0.00 H new ATOM 0 HD2 TYR A 54 13.185 -8.615 21.162 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.773 -13.295 21.994 1.00 0.00 H new ATOM 0 HE2 TYR A 54 13.246 -10.273 19.320 1.00 0.00 H new ATOM 0 HH TYR A 54 12.872 -12.384 18.695 1.00 0.00 H new ATOM 834 N LEU A 55 15.177 -7.743 23.501 1.00 0.00 N ATOM 835 CA LEU A 55 16.406 -7.447 22.713 1.00 0.00 C ATOM 836 C LEU A 55 17.642 -7.681 23.584 1.00 0.00 C ATOM 837 O LEU A 55 18.706 -8.008 23.093 1.00 0.00 O ATOM 838 CB LEU A 55 16.376 -5.988 22.252 1.00 0.00 C ATOM 839 CG LEU A 55 15.631 -5.889 20.920 1.00 0.00 C ATOM 840 CD1 LEU A 55 14.124 -5.938 21.173 1.00 0.00 C ATOM 841 CD2 LEU A 55 15.990 -4.570 20.234 1.00 0.00 C ATOM 0 H LEU A 55 14.602 -6.932 23.729 1.00 0.00 H new ATOM 0 HA LEU A 55 16.446 -8.103 21.844 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.885 -5.368 23.002 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.392 -5.609 22.141 1.00 0.00 H new ATOM 0 HG LEU A 55 15.918 -6.723 20.280 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.593 -5.867 20.224 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.868 -6.877 21.663 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.835 -5.104 21.813 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.460 -4.498 19.284 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.702 -3.737 20.875 1.00 0.00 H new ATOM 0 HD23 LEU A 55 17.064 -4.534 20.053 1.00 0.00 H new ATOM 853 N GLY A 56 17.513 -7.518 24.872 1.00 0.00 N ATOM 854 CA GLY A 56 18.678 -7.750 25.772 1.00 0.00 C ATOM 855 C GLY A 56 19.730 -6.665 25.538 1.00 0.00 C ATOM 856 O GLY A 56 19.426 -5.489 25.502 1.00 0.00 O ATOM 0 H GLY A 56 16.652 -7.234 25.340 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.354 -7.739 26.813 1.00 0.00 H new ATOM 0 HA3 GLY A 56 19.107 -8.734 25.582 1.00 0.00 H new ATOM 860 N ASN A 57 20.968 -7.049 25.378 1.00 0.00 N ATOM 861 CA ASN A 57 22.040 -6.037 25.164 1.00 0.00 C ATOM 862 C ASN A 57 22.467 -6.048 23.695 1.00 0.00 C ATOM 863 O ASN A 57 23.625 -5.872 23.374 1.00 0.00 O ATOM 864 CB ASN A 57 23.243 -6.374 26.047 1.00 0.00 C ATOM 865 CG ASN A 57 22.916 -6.046 27.504 1.00 0.00 C ATOM 866 OD1 ASN A 57 23.211 -6.820 28.394 1.00 0.00 O ATOM 867 ND2 ASN A 57 22.315 -4.923 27.789 1.00 0.00 N ATOM 0 H ASN A 57 21.282 -8.019 25.386 1.00 0.00 H new ATOM 0 HA ASN A 57 21.663 -5.048 25.425 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.495 -7.430 25.949 1.00 0.00 H new ATOM 0 HB3 ASN A 57 24.115 -5.807 25.723 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.093 -4.695 28.758 1.00 0.00 H new ATOM 0 HD22 ASN A 57 22.067 -4.273 27.043 1.00 0.00 H new ATOM 874 N ALA A 58 21.539 -6.253 22.799 1.00 0.00 N ATOM 875 CA ALA A 58 21.893 -6.270 21.352 1.00 0.00 C ATOM 876 C ALA A 58 21.653 -4.881 20.754 1.00 0.00 C ATOM 877 O ALA A 58 22.222 -4.525 19.742 1.00 0.00 O ATOM 878 CB ALA A 58 21.020 -7.295 20.627 1.00 0.00 C ATOM 0 H ALA A 58 20.553 -6.409 23.007 1.00 0.00 H new ATOM 0 HA ALA A 58 22.943 -6.540 21.236 1.00 0.00 H new ATOM 0 HB1 ALA A 58 21.278 -7.308 19.568 1.00 0.00 H new ATOM 0 HB2 ALA A 58 21.189 -8.284 21.054 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.970 -7.025 20.741 1.00 0.00 H new ATOM 884 N VAL A 59 20.815 -4.095 21.373 1.00 0.00 N ATOM 885 CA VAL A 59 20.538 -2.733 20.838 1.00 0.00 C ATOM 886 C VAL A 59 20.276 -1.773 22.001 1.00 0.00 C ATOM 887 O VAL A 59 19.804 -2.166 23.049 1.00 0.00 O ATOM 888 CB VAL A 59 19.308 -2.782 19.930 1.00 0.00 C ATOM 889 CG1 VAL A 59 19.269 -1.528 19.054 1.00 0.00 C ATOM 890 CG2 VAL A 59 19.383 -4.024 19.038 1.00 0.00 C ATOM 0 H VAL A 59 20.311 -4.338 22.226 1.00 0.00 H new ATOM 0 HA VAL A 59 21.398 -2.385 20.266 1.00 0.00 H new ATOM 0 HB VAL A 59 18.407 -2.826 20.541 1.00 0.00 H new ATOM 0 HG11 VAL A 59 18.392 -1.563 18.407 1.00 0.00 H new ATOM 0 HG12 VAL A 59 19.217 -0.643 19.688 1.00 0.00 H new ATOM 0 HG13 VAL A 59 20.170 -1.483 18.442 1.00 0.00 H new ATOM 0 HG21 VAL A 59 18.507 -4.060 18.390 1.00 0.00 H new ATOM 0 HG22 VAL A 59 20.284 -3.979 18.427 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.411 -4.918 19.661 1.00 0.00 H new ATOM 900 N ASP A 60 20.579 -0.516 21.824 1.00 0.00 N ATOM 901 CA ASP A 60 20.339 0.468 22.916 1.00 0.00 C ATOM 902 C ASP A 60 19.043 1.234 22.638 1.00 0.00 C ATOM 903 O ASP A 60 18.925 1.937 21.654 1.00 0.00 O ATOM 904 CB ASP A 60 21.508 1.454 22.982 1.00 0.00 C ATOM 905 CG ASP A 60 21.624 2.199 21.651 1.00 0.00 C ATOM 906 OD1 ASP A 60 21.006 1.762 20.694 1.00 0.00 O ATOM 907 OD2 ASP A 60 22.329 3.193 21.611 1.00 0.00 O ATOM 0 H ASP A 60 20.982 -0.129 20.971 1.00 0.00 H new ATOM 0 HA ASP A 60 20.254 -0.059 23.866 1.00 0.00 H new ATOM 0 HB2 ASP A 60 21.354 2.163 23.795 1.00 0.00 H new ATOM 0 HB3 ASP A 60 22.435 0.922 23.195 1.00 0.00 H new ATOM 912 N LEU A 61 18.070 1.103 23.497 1.00 0.00 N ATOM 913 CA LEU A 61 16.785 1.826 23.283 1.00 0.00 C ATOM 914 C LEU A 61 16.755 3.082 24.155 1.00 0.00 C ATOM 915 O LEU A 61 15.719 3.683 24.359 1.00 0.00 O ATOM 916 CB LEU A 61 15.616 0.913 23.663 1.00 0.00 C ATOM 917 CG LEU A 61 15.323 -0.047 22.510 1.00 0.00 C ATOM 918 CD1 LEU A 61 16.600 -0.800 22.133 1.00 0.00 C ATOM 919 CD2 LEU A 61 14.250 -1.049 22.944 1.00 0.00 C ATOM 0 H LEU A 61 18.109 0.527 24.338 1.00 0.00 H new ATOM 0 HA LEU A 61 16.698 2.110 22.234 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.858 0.351 24.565 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.732 1.510 23.887 1.00 0.00 H new ATOM 0 HG LEU A 61 14.968 0.518 21.648 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.390 -1.484 21.311 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.365 -0.087 21.825 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.956 -1.366 22.994 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.039 -1.735 22.123 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.606 -1.613 23.806 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.339 -0.513 23.212 1.00 0.00 H new ATOM 931 N SER A 62 17.884 3.484 24.671 1.00 0.00 N ATOM 932 CA SER A 62 17.918 4.698 25.535 1.00 0.00 C ATOM 933 C SER A 62 17.359 5.892 24.759 1.00 0.00 C ATOM 934 O SER A 62 16.674 6.734 25.305 1.00 0.00 O ATOM 935 CB SER A 62 19.361 4.990 25.947 1.00 0.00 C ATOM 936 OG SER A 62 20.154 5.176 24.782 1.00 0.00 O ATOM 0 H SER A 62 18.784 3.025 24.532 1.00 0.00 H new ATOM 0 HA SER A 62 17.313 4.527 26.425 1.00 0.00 H new ATOM 0 HB2 SER A 62 19.399 5.882 26.573 1.00 0.00 H new ATOM 0 HB3 SER A 62 19.755 4.166 26.542 1.00 0.00 H new ATOM 0 HG SER A 62 21.079 5.365 25.043 1.00 0.00 H new ATOM 942 N CYS A 63 17.645 5.972 23.488 1.00 0.00 N ATOM 943 CA CYS A 63 17.118 7.104 22.676 1.00 0.00 C ATOM 944 C CYS A 63 15.858 6.656 21.931 1.00 0.00 C ATOM 945 O CYS A 63 15.323 7.373 21.110 1.00 0.00 O ATOM 946 CB CYS A 63 18.179 7.544 21.665 1.00 0.00 C ATOM 947 SG CYS A 63 19.758 7.787 22.515 1.00 0.00 S ATOM 0 H CYS A 63 18.221 5.302 22.978 1.00 0.00 H new ATOM 0 HA CYS A 63 16.874 7.939 23.333 1.00 0.00 H new ATOM 0 HB2 CYS A 63 18.286 6.792 20.884 1.00 0.00 H new ATOM 0 HB3 CYS A 63 17.870 8.468 21.177 1.00 0.00 H new ATOM 0 HG CYS A 63 19.970 6.795 23.328 1.00 0.00 H new ATOM 953 N PHE A 64 15.381 5.474 22.212 1.00 0.00 N ATOM 954 CA PHE A 64 14.160 4.978 21.517 1.00 0.00 C ATOM 955 C PHE A 64 12.940 5.192 22.414 1.00 0.00 C ATOM 956 O PHE A 64 12.836 4.624 23.482 1.00 0.00 O ATOM 957 CB PHE A 64 14.316 3.487 21.213 1.00 0.00 C ATOM 958 CG PHE A 64 13.013 2.944 20.679 1.00 0.00 C ATOM 959 CD1 PHE A 64 12.568 3.316 19.406 1.00 0.00 C ATOM 960 CD2 PHE A 64 12.249 2.066 21.458 1.00 0.00 C ATOM 961 CE1 PHE A 64 11.359 2.812 18.910 1.00 0.00 C ATOM 962 CE2 PHE A 64 11.040 1.562 20.963 1.00 0.00 C ATOM 963 CZ PHE A 64 10.594 1.935 19.689 1.00 0.00 C ATOM 0 H PHE A 64 15.784 4.831 22.893 1.00 0.00 H new ATOM 0 HA PHE A 64 14.025 5.526 20.584 1.00 0.00 H new ATOM 0 HB2 PHE A 64 15.112 3.335 20.484 1.00 0.00 H new ATOM 0 HB3 PHE A 64 14.604 2.949 22.116 1.00 0.00 H new ATOM 0 HD1 PHE A 64 13.157 3.993 18.805 1.00 0.00 H new ATOM 0 HD2 PHE A 64 12.592 1.778 22.441 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.017 3.100 17.927 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.451 0.885 21.564 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.661 1.547 19.308 1.00 0.00 H new ATOM 973 N ASP A 65 12.015 6.009 21.989 1.00 0.00 N ATOM 974 CA ASP A 65 10.799 6.251 22.815 1.00 0.00 C ATOM 975 C ASP A 65 9.653 5.376 22.304 1.00 0.00 C ATOM 976 O ASP A 65 9.048 5.658 21.290 1.00 0.00 O ATOM 977 CB ASP A 65 10.400 7.725 22.713 1.00 0.00 C ATOM 978 CG ASP A 65 11.425 8.585 23.454 1.00 0.00 C ATOM 979 OD1 ASP A 65 12.276 8.017 24.118 1.00 0.00 O ATOM 980 OD2 ASP A 65 11.342 9.797 23.345 1.00 0.00 O ATOM 0 H ASP A 65 12.049 6.519 21.106 1.00 0.00 H new ATOM 0 HA ASP A 65 11.010 6.002 23.855 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.346 8.026 21.667 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.408 7.874 23.140 1.00 0.00 H new ATOM 985 N PHE A 66 9.350 4.314 23.001 1.00 0.00 N ATOM 986 CA PHE A 66 8.247 3.420 22.551 1.00 0.00 C ATOM 987 C PHE A 66 6.921 4.182 22.599 1.00 0.00 C ATOM 988 O PHE A 66 6.094 4.065 21.716 1.00 0.00 O ATOM 989 CB PHE A 66 8.168 2.203 23.475 1.00 0.00 C ATOM 990 CG PHE A 66 7.465 2.586 24.755 1.00 0.00 C ATOM 991 CD1 PHE A 66 8.080 3.465 25.656 1.00 0.00 C ATOM 992 CD2 PHE A 66 6.198 2.064 25.041 1.00 0.00 C ATOM 993 CE1 PHE A 66 7.428 3.820 26.843 1.00 0.00 C ATOM 994 CE2 PHE A 66 5.546 2.421 26.228 1.00 0.00 C ATOM 995 CZ PHE A 66 6.161 3.298 27.129 1.00 0.00 C ATOM 0 H PHE A 66 9.818 4.028 23.861 1.00 0.00 H new ATOM 0 HA PHE A 66 8.440 3.090 21.530 1.00 0.00 H new ATOM 0 HB2 PHE A 66 7.631 1.393 22.981 1.00 0.00 H new ATOM 0 HB3 PHE A 66 9.170 1.834 23.694 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.057 3.869 25.435 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.724 1.386 24.347 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.903 4.497 27.538 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.568 2.019 26.448 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.658 3.572 28.045 1.00 0.00 H new ATOM 1005 N ARG A 67 6.711 4.963 23.624 1.00 0.00 N ATOM 1006 CA ARG A 67 5.435 5.726 23.729 1.00 0.00 C ATOM 1007 C ARG A 67 5.254 6.591 22.480 1.00 0.00 C ATOM 1008 O ARG A 67 4.154 6.975 22.134 1.00 0.00 O ATOM 1009 CB ARG A 67 5.478 6.622 24.969 1.00 0.00 C ATOM 1010 CG ARG A 67 6.667 7.581 24.865 1.00 0.00 C ATOM 1011 CD ARG A 67 6.853 8.309 26.198 1.00 0.00 C ATOM 1012 NE ARG A 67 7.140 7.315 27.271 1.00 0.00 N ATOM 1013 CZ ARG A 67 7.573 7.719 28.434 1.00 0.00 C ATOM 1014 NH1 ARG A 67 7.755 8.992 28.657 1.00 0.00 N ATOM 1015 NH2 ARG A 67 7.826 6.849 29.373 1.00 0.00 N ATOM 0 H ARG A 67 7.367 5.105 24.392 1.00 0.00 H new ATOM 0 HA ARG A 67 4.600 5.030 23.812 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.549 7.186 25.056 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.566 6.012 25.868 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.572 7.029 24.610 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.498 8.302 24.065 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.671 9.025 26.122 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.955 8.876 26.443 1.00 0.00 H new ATOM 0 HE ARG A 67 6.998 6.320 27.097 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.559 9.672 27.922 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.093 9.307 29.566 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.685 5.854 29.198 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.164 7.164 30.282 1.00 0.00 H new ATOM 1029 N THR A 68 6.324 6.902 21.800 1.00 0.00 N ATOM 1030 CA THR A 68 6.211 7.730 20.568 1.00 0.00 C ATOM 1031 C THR A 68 6.765 6.950 19.375 1.00 0.00 C ATOM 1032 O THR A 68 6.604 7.340 18.236 1.00 0.00 O ATOM 1033 CB THR A 68 7.009 9.024 20.748 1.00 0.00 C ATOM 1034 OG1 THR A 68 8.237 8.734 21.400 1.00 0.00 O ATOM 1035 CG2 THR A 68 6.201 10.012 21.590 1.00 0.00 C ATOM 0 H THR A 68 7.272 6.618 22.046 1.00 0.00 H new ATOM 0 HA THR A 68 5.163 7.971 20.388 1.00 0.00 H new ATOM 0 HB THR A 68 7.211 9.465 19.772 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.750 9.561 21.514 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.771 10.933 21.717 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.260 10.234 21.087 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.996 9.575 22.567 1.00 0.00 H new ATOM 1043 N GLY A 69 7.418 5.848 19.628 1.00 0.00 N ATOM 1044 CA GLY A 69 7.981 5.042 18.507 1.00 0.00 C ATOM 1045 C GLY A 69 8.925 5.912 17.675 1.00 0.00 C ATOM 1046 O GLY A 69 9.004 5.781 16.470 1.00 0.00 O ATOM 0 H GLY A 69 7.586 5.471 20.561 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.517 4.178 18.900 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.176 4.659 17.880 1.00 0.00 H new ATOM 1050 N LYS A 70 9.642 6.800 18.308 1.00 0.00 N ATOM 1051 CA LYS A 70 10.575 7.681 17.552 1.00 0.00 C ATOM 1052 C LYS A 70 11.974 7.586 18.162 1.00 0.00 C ATOM 1053 O LYS A 70 12.140 7.195 19.302 1.00 0.00 O ATOM 1054 CB LYS A 70 10.084 9.128 17.625 1.00 0.00 C ATOM 1055 CG LYS A 70 8.845 9.292 16.743 1.00 0.00 C ATOM 1056 CD LYS A 70 8.547 10.781 16.553 1.00 0.00 C ATOM 1057 CE LYS A 70 7.853 11.327 17.802 1.00 0.00 C ATOM 1058 NZ LYS A 70 7.603 12.786 17.634 1.00 0.00 N ATOM 0 H LYS A 70 9.622 6.953 19.316 1.00 0.00 H new ATOM 0 HA LYS A 70 10.611 7.362 16.510 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.847 9.391 18.656 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.870 9.807 17.296 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.009 8.817 15.776 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.990 8.795 17.202 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.472 11.327 16.370 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.913 10.927 15.679 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.912 10.803 17.967 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.473 11.152 18.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.131 13.157 18.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.508 13.280 17.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.995 12.941 16.805 1.00 0.00 H new ATOM 1072 N MET A 71 12.983 7.940 17.416 1.00 0.00 N ATOM 1073 CA MET A 71 14.371 7.872 17.956 1.00 0.00 C ATOM 1074 C MET A 71 14.725 9.204 18.620 1.00 0.00 C ATOM 1075 O MET A 71 14.276 10.254 18.206 1.00 0.00 O ATOM 1076 CB MET A 71 15.351 7.596 16.814 1.00 0.00 C ATOM 1077 CG MET A 71 15.076 6.209 16.228 1.00 0.00 C ATOM 1078 SD MET A 71 15.301 4.956 17.514 1.00 0.00 S ATOM 1079 CE MET A 71 17.107 4.870 17.434 1.00 0.00 C ATOM 0 H MET A 71 12.907 8.274 16.455 1.00 0.00 H new ATOM 0 HA MET A 71 14.435 7.070 18.691 1.00 0.00 H new ATOM 0 HB2 MET A 71 15.247 8.356 16.040 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.376 7.651 17.179 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.061 6.163 15.834 1.00 0.00 H new ATOM 0 HG3 MET A 71 15.750 6.015 15.394 1.00 0.00 H new ATOM 0 HE1 MET A 71 17.408 3.894 17.055 1.00 0.00 H new ATOM 0 HE2 MET A 71 17.479 5.649 16.768 1.00 0.00 H new ATOM 0 HE3 MET A 71 17.523 5.016 18.431 1.00 0.00 H new