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 43 LYS NZ :NH3+ -165:sc= -0.45 (180deg=-0.254) USER MOD Set 1.2: A 47 SER OG : rot -109:sc= -1.87! USER MOD Set 1.3: A 50 GLN : amide:sc= -1.32 K(o=-3.6,f=-7.3!) USER MOD Set 2.1: A 41 SER OG : rot -145:sc= 0.644 USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= 0.576 USER MOD Single : A 8 THR OG1 : rot -59:sc= -1.37 USER MOD Single : A 10 CYS SG : rot 144:sc= -3.61! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -52:sc= -0.0701 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 170:sc= -0.866 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 18:sc= -0.977! USER MOD Single : A 39 SER OG : rot -7:sc= -2.24! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.562 (180deg=-1.22) USER MOD Single : A 57 ASN : amide:sc= -0.0147 K(o=-0.015,f=-1.9!) USER MOD Single : A 62 SER OG : rot 47:sc= 0.949 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -130:sc= -1.36 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -174:sc=-0.00254 (180deg=-0.081) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -4.559 -0.291 12.110 1.00 0.00 N ATOM 53 CA GLY A 6 -3.611 0.555 11.331 1.00 0.00 C ATOM 54 C GLY A 6 -2.206 0.424 11.921 1.00 0.00 C ATOM 55 O GLY A 6 -1.757 1.266 12.672 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.608 0.248 10.285 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.932 1.596 11.356 1.00 0.00 H new ATOM 59 N ARG A 7 -1.509 -0.627 11.588 1.00 0.00 N ATOM 60 CA ARG A 7 -0.125 -0.801 12.112 1.00 0.00 C ATOM 61 C ARG A 7 0.829 0.124 11.353 1.00 0.00 C ATOM 62 O ARG A 7 0.470 0.720 10.357 1.00 0.00 O ATOM 63 CB ARG A 7 0.314 -2.253 11.921 1.00 0.00 C ATOM 64 CG ARG A 7 -0.263 -3.114 13.046 1.00 0.00 C ATOM 65 CD ARG A 7 0.146 -4.573 12.836 1.00 0.00 C ATOM 66 NE ARG A 7 -0.344 -5.395 13.977 1.00 0.00 N ATOM 67 CZ ARG A 7 -0.347 -6.697 13.889 1.00 0.00 C ATOM 68 NH1 ARG A 7 0.081 -7.279 12.802 1.00 0.00 N ATOM 69 NH2 ARG A 7 -0.776 -7.419 14.888 1.00 0.00 N ATOM 0 H ARG A 7 -1.838 -1.373 10.975 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.105 -0.552 13.173 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.028 -2.623 10.954 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.402 -2.318 11.921 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.099 -2.760 14.011 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.350 -3.029 13.062 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.269 -4.947 11.900 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.230 -4.650 12.758 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.677 -4.940 14.827 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.418 -6.716 12.021 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.079 -8.297 12.734 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.109 -6.966 15.739 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.778 -8.437 14.818 1.00 0.00 H new ATOM 83 N THR A 8 2.043 0.249 11.815 1.00 0.00 N ATOM 84 CA THR A 8 3.020 1.131 11.117 1.00 0.00 C ATOM 85 C THR A 8 4.375 0.426 11.035 1.00 0.00 C ATOM 86 O THR A 8 4.737 -0.346 11.901 1.00 0.00 O ATOM 87 CB THR A 8 3.173 2.440 11.896 1.00 0.00 C ATOM 88 OG1 THR A 8 3.589 2.153 13.224 1.00 0.00 O ATOM 89 CG2 THR A 8 1.833 3.178 11.928 1.00 0.00 C ATOM 0 H THR A 8 2.400 -0.222 12.646 1.00 0.00 H new ATOM 0 HA THR A 8 2.661 1.347 10.111 1.00 0.00 H new ATOM 0 HB THR A 8 3.919 3.068 11.408 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.923 1.580 13.659 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.944 4.110 12.483 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.515 3.398 10.909 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.085 2.553 12.415 1.00 0.00 H new ATOM 97 N ASP A 9 5.125 0.683 10.000 1.00 0.00 N ATOM 98 CA ASP A 9 6.454 0.022 9.861 1.00 0.00 C ATOM 99 C ASP A 9 7.379 0.494 10.985 1.00 0.00 C ATOM 100 O ASP A 9 7.278 1.609 11.458 1.00 0.00 O ATOM 101 CB ASP A 9 7.068 0.389 8.509 1.00 0.00 C ATOM 102 CG ASP A 9 6.302 -0.321 7.391 1.00 0.00 C ATOM 103 OD1 ASP A 9 5.568 -1.245 7.696 1.00 0.00 O ATOM 104 OD2 ASP A 9 6.464 0.072 6.247 1.00 0.00 O ATOM 0 H ASP A 9 4.876 1.322 9.245 1.00 0.00 H new ATOM 0 HA ASP A 9 6.329 -1.059 9.922 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.030 1.468 8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.119 0.100 8.484 1.00 0.00 H new ATOM 109 N CYS A 10 8.279 -0.346 11.417 1.00 0.00 N ATOM 110 CA CYS A 10 9.213 0.058 12.506 1.00 0.00 C ATOM 111 C CYS A 10 10.303 0.966 11.933 1.00 0.00 C ATOM 112 O CYS A 10 11.046 0.579 11.053 1.00 0.00 O ATOM 113 CB CYS A 10 9.857 -1.191 13.114 1.00 0.00 C ATOM 114 SG CYS A 10 10.112 -2.429 11.820 1.00 0.00 S ATOM 0 H CYS A 10 8.408 -1.294 11.063 1.00 0.00 H new ATOM 0 HA CYS A 10 8.661 0.595 13.277 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.809 -0.933 13.578 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.219 -1.596 13.899 1.00 0.00 H new ATOM 0 HG CYS A 10 11.220 -3.070 12.045 1.00 0.00 H new ATOM 120 N PRO A 11 10.390 2.168 12.431 1.00 0.00 N ATOM 121 CA PRO A 11 11.402 3.163 11.973 1.00 0.00 C ATOM 122 C PRO A 11 12.798 2.867 12.528 1.00 0.00 C ATOM 123 O PRO A 11 13.769 2.812 11.799 1.00 0.00 O ATOM 124 CB PRO A 11 10.881 4.493 12.518 1.00 0.00 C ATOM 125 CG PRO A 11 10.061 4.140 13.715 1.00 0.00 C ATOM 126 CD PRO A 11 9.529 2.711 13.493 1.00 0.00 C ATOM 0 HA PRO A 11 11.516 3.153 10.889 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.703 5.156 12.787 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.282 5.015 11.772 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.662 4.191 14.623 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.237 4.843 13.839 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.595 2.115 14.403 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.481 2.718 13.192 1.00 0.00 H new ATOM 134 N ALA A 12 12.907 2.677 13.815 1.00 0.00 N ATOM 135 CA ALA A 12 14.241 2.393 14.416 1.00 0.00 C ATOM 136 C ALA A 12 14.286 0.942 14.898 1.00 0.00 C ATOM 137 O ALA A 12 15.331 0.324 14.942 1.00 0.00 O ATOM 138 CB ALA A 12 14.477 3.332 15.600 1.00 0.00 C ATOM 0 H ALA A 12 12.130 2.706 14.476 1.00 0.00 H new ATOM 0 HA ALA A 12 15.017 2.550 13.667 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.452 3.125 16.040 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.446 4.366 15.256 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.701 3.175 16.349 1.00 0.00 H new ATOM 144 N LEU A 13 13.159 0.392 15.261 1.00 0.00 N ATOM 145 CA LEU A 13 13.139 -1.019 15.741 1.00 0.00 C ATOM 146 C LEU A 13 13.422 -1.959 14.568 1.00 0.00 C ATOM 147 O LEU A 13 13.071 -1.681 13.438 1.00 0.00 O ATOM 148 CB LEU A 13 11.763 -1.337 16.329 1.00 0.00 C ATOM 149 CG LEU A 13 11.707 -0.866 17.784 1.00 0.00 C ATOM 150 CD1 LEU A 13 10.254 -0.609 18.183 1.00 0.00 C ATOM 151 CD2 LEU A 13 12.301 -1.946 18.691 1.00 0.00 C ATOM 0 H LEU A 13 12.252 0.858 15.246 1.00 0.00 H new ATOM 0 HA LEU A 13 13.902 -1.154 16.508 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.984 -0.845 15.746 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.572 -2.409 16.275 1.00 0.00 H new ATOM 0 HG LEU A 13 12.280 0.055 17.890 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.215 -0.274 19.219 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.830 0.159 17.537 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.680 -1.529 18.078 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.262 -1.612 19.728 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.727 -2.867 18.584 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.337 -2.129 18.408 1.00 0.00 H new ATOM 163 N PRO A 14 14.054 -3.068 14.841 1.00 0.00 N ATOM 164 CA PRO A 14 14.431 -4.062 13.796 1.00 0.00 C ATOM 165 C PRO A 14 13.339 -4.228 12.734 1.00 0.00 C ATOM 166 O PRO A 14 12.171 -4.020 12.995 1.00 0.00 O ATOM 167 CB PRO A 14 14.617 -5.366 14.576 1.00 0.00 C ATOM 168 CG PRO A 14 14.972 -4.952 15.966 1.00 0.00 C ATOM 169 CD PRO A 14 14.481 -3.491 16.183 1.00 0.00 C ATOM 0 HA PRO A 14 15.322 -3.752 13.250 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.705 -5.963 14.565 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.404 -5.978 14.136 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.507 -5.620 16.691 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.049 -5.017 16.118 1.00 0.00 H new ATOM 0 HD2 PRO A 14 13.660 -3.446 16.898 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.276 -2.854 16.570 1.00 0.00 H new ATOM 177 N PRO A 15 13.725 -4.599 11.544 1.00 0.00 N ATOM 178 CA PRO A 15 12.774 -4.818 10.418 1.00 0.00 C ATOM 179 C PRO A 15 11.661 -5.806 10.782 1.00 0.00 C ATOM 180 O PRO A 15 11.858 -6.721 11.556 1.00 0.00 O ATOM 181 CB PRO A 15 13.654 -5.391 9.305 1.00 0.00 C ATOM 182 CG PRO A 15 15.043 -4.952 9.632 1.00 0.00 C ATOM 183 CD PRO A 15 15.118 -4.851 11.144 1.00 0.00 C ATOM 0 HA PRO A 15 12.261 -3.898 10.138 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.584 -6.478 9.269 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.344 -5.019 8.328 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.775 -5.666 9.254 1.00 0.00 H new ATOM 0 HG3 PRO A 15 15.266 -3.991 9.167 1.00 0.00 H new ATOM 0 HD2 PRO A 15 15.503 -5.769 11.588 1.00 0.00 H new ATOM 0 HD3 PRO A 15 15.778 -4.043 11.459 1.00 0.00 H new ATOM 191 N GLY A 16 10.492 -5.626 10.230 1.00 0.00 N ATOM 192 CA GLY A 16 9.373 -6.562 10.535 1.00 0.00 C ATOM 193 C GLY A 16 8.614 -6.068 11.767 1.00 0.00 C ATOM 194 O GLY A 16 7.442 -6.338 11.937 1.00 0.00 O ATOM 0 H GLY A 16 10.264 -4.872 9.582 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.698 -6.628 9.682 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.762 -7.565 10.713 1.00 0.00 H new ATOM 198 N TRP A 17 9.273 -5.345 12.631 1.00 0.00 N ATOM 199 CA TRP A 17 8.591 -4.842 13.856 1.00 0.00 C ATOM 200 C TRP A 17 7.470 -3.882 13.457 1.00 0.00 C ATOM 201 O TRP A 17 7.640 -3.030 12.607 1.00 0.00 O ATOM 202 CB TRP A 17 9.604 -4.106 14.737 1.00 0.00 C ATOM 203 CG TRP A 17 10.369 -5.098 15.552 1.00 0.00 C ATOM 204 CD1 TRP A 17 11.234 -6.011 15.053 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.354 -5.295 16.996 1.00 0.00 C ATOM 206 NE1 TRP A 17 11.751 -6.755 16.098 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.240 -6.351 17.315 1.00 0.00 C ATOM 208 CE3 TRP A 17 9.666 -4.665 18.048 1.00 0.00 C ATOM 209 CZ2 TRP A 17 11.436 -6.768 18.633 1.00 0.00 C ATOM 210 CZ3 TRP A 17 9.861 -5.081 19.375 1.00 0.00 C ATOM 211 CH2 TRP A 17 10.744 -6.131 19.666 1.00 0.00 C ATOM 0 H TRP A 17 10.254 -5.081 12.541 1.00 0.00 H new ATOM 0 HA TRP A 17 8.170 -5.682 14.409 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.287 -3.525 14.117 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.089 -3.402 15.391 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.480 -6.138 14.009 1.00 0.00 H new ATOM 0 HE1 TRP A 17 12.427 -7.510 15.983 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.983 -3.856 17.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 12.117 -7.577 18.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 9.328 -4.590 20.176 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.889 -6.447 20.688 1.00 0.00 H new ATOM 222 N LYS A 18 6.322 -4.009 14.065 1.00 0.00 N ATOM 223 CA LYS A 18 5.190 -3.106 13.718 1.00 0.00 C ATOM 224 C LYS A 18 4.582 -2.533 15.000 1.00 0.00 C ATOM 225 O LYS A 18 4.626 -3.147 16.047 1.00 0.00 O ATOM 226 CB LYS A 18 4.123 -3.895 12.955 1.00 0.00 C ATOM 227 CG LYS A 18 4.672 -4.310 11.589 1.00 0.00 C ATOM 228 CD LYS A 18 3.607 -5.100 10.828 1.00 0.00 C ATOM 229 CE LYS A 18 4.175 -5.561 9.485 1.00 0.00 C ATOM 230 NZ LYS A 18 3.153 -6.374 8.766 1.00 0.00 N ATOM 0 H LYS A 18 6.120 -4.700 14.788 1.00 0.00 H new ATOM 0 HA LYS A 18 5.555 -2.290 13.093 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.832 -4.777 13.525 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.227 -3.287 12.829 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.962 -3.427 11.019 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.569 -4.917 11.715 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.289 -5.962 11.415 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.725 -4.480 10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.458 -4.698 8.882 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.078 -6.150 9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.539 -6.688 7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.903 -7.205 9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.303 -5.798 8.603 1.00 0.00 H new ATOM 244 N LYS A 19 4.014 -1.361 14.926 1.00 0.00 N ATOM 245 CA LYS A 19 3.407 -0.749 16.142 1.00 0.00 C ATOM 246 C LYS A 19 2.074 -0.095 15.775 1.00 0.00 C ATOM 247 O LYS A 19 1.913 0.445 14.698 1.00 0.00 O ATOM 248 CB LYS A 19 4.356 0.309 16.709 1.00 0.00 C ATOM 249 CG LYS A 19 4.501 1.454 15.705 1.00 0.00 C ATOM 250 CD LYS A 19 5.508 2.477 16.237 1.00 0.00 C ATOM 251 CE LYS A 19 5.658 3.618 15.230 1.00 0.00 C ATOM 252 NZ LYS A 19 6.618 4.627 15.762 1.00 0.00 N ATOM 0 H LYS A 19 3.944 -0.801 14.077 1.00 0.00 H new ATOM 0 HA LYS A 19 3.237 -1.523 16.891 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.971 0.688 17.656 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.330 -0.134 16.915 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.834 1.067 14.742 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.535 1.931 15.540 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.172 2.868 17.198 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.473 1.999 16.407 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.013 3.230 14.275 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.690 4.084 15.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.720 5.403 15.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.261 5.005 16.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.543 4.178 15.917 1.00 0.00 H new ATOM 266 N GLU A 20 1.117 -0.139 16.660 1.00 0.00 N ATOM 267 CA GLU A 20 -0.197 0.500 16.370 1.00 0.00 C ATOM 268 C GLU A 20 -0.569 1.444 17.515 1.00 0.00 C ATOM 269 O GLU A 20 0.056 1.448 18.556 1.00 0.00 O ATOM 270 CB GLU A 20 -1.270 -0.582 16.230 1.00 0.00 C ATOM 271 CG GLU A 20 -2.545 0.033 15.651 1.00 0.00 C ATOM 272 CD GLU A 20 -3.442 0.518 16.791 1.00 0.00 C ATOM 273 OE1 GLU A 20 -3.472 -0.142 17.816 1.00 0.00 O ATOM 274 OE2 GLU A 20 -4.084 1.542 16.619 1.00 0.00 O ATOM 0 H GLU A 20 1.188 -0.590 17.572 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.129 1.066 15.441 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.912 -1.381 15.581 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.479 -1.030 17.202 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.294 0.865 14.993 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.074 -0.703 15.046 1.00 0.00 H new ATOM 281 N GLU A 21 -1.585 2.243 17.330 1.00 0.00 N ATOM 282 CA GLU A 21 -1.989 3.192 18.407 1.00 0.00 C ATOM 283 C GLU A 21 -3.488 3.045 18.679 1.00 0.00 C ATOM 284 O GLU A 21 -4.315 3.436 17.878 1.00 0.00 O ATOM 285 CB GLU A 21 -1.689 4.624 17.964 1.00 0.00 C ATOM 286 CG GLU A 21 -1.981 5.588 19.116 1.00 0.00 C ATOM 287 CD GLU A 21 -1.632 7.015 18.690 1.00 0.00 C ATOM 288 OE1 GLU A 21 -1.424 7.225 17.506 1.00 0.00 O ATOM 289 OE2 GLU A 21 -1.579 7.874 19.555 1.00 0.00 O ATOM 0 H GLU A 21 -2.151 2.280 16.482 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.431 2.969 19.316 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.646 4.710 17.659 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.297 4.882 17.097 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.033 5.528 19.396 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.400 5.307 19.995 1.00 0.00 H new ATOM 296 N VAL A 22 -3.844 2.486 19.803 1.00 0.00 N ATOM 297 CA VAL A 22 -5.289 2.307 20.120 1.00 0.00 C ATOM 298 C VAL A 22 -5.776 3.487 20.964 1.00 0.00 C ATOM 299 O VAL A 22 -5.185 3.829 21.969 1.00 0.00 O ATOM 300 CB VAL A 22 -5.482 1.007 20.904 1.00 0.00 C ATOM 301 CG1 VAL A 22 -6.955 0.856 21.288 1.00 0.00 C ATOM 302 CG2 VAL A 22 -5.060 -0.179 20.033 1.00 0.00 C ATOM 0 H VAL A 22 -3.197 2.146 20.515 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.861 2.262 19.193 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.872 1.033 21.807 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.092 -0.070 21.846 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.258 1.701 21.906 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.565 0.829 20.385 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.197 -1.106 20.590 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.672 -0.204 19.131 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.011 -0.073 19.757 1.00 0.00 H new ATOM 312 N ILE A 23 -6.849 4.112 20.564 1.00 0.00 N ATOM 313 CA ILE A 23 -7.371 5.269 21.344 1.00 0.00 C ATOM 314 C ILE A 23 -8.647 4.853 22.080 1.00 0.00 C ATOM 315 O ILE A 23 -9.482 4.151 21.545 1.00 0.00 O ATOM 316 CB ILE A 23 -7.685 6.426 20.395 1.00 0.00 C ATOM 317 CG1 ILE A 23 -6.415 6.820 19.637 1.00 0.00 C ATOM 318 CG2 ILE A 23 -8.189 7.624 21.200 1.00 0.00 C ATOM 319 CD1 ILE A 23 -6.767 7.826 18.540 1.00 0.00 C ATOM 0 H ILE A 23 -7.387 3.872 19.731 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.620 5.587 22.067 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.453 6.117 19.686 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.689 7.254 20.324 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.951 5.936 19.199 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.413 8.449 20.523 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.092 7.344 21.742 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.422 7.935 21.909 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.863 8.107 18.000 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.478 7.375 17.848 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.212 8.714 18.990 1.00 0.00 H new ATOM 331 N ARG A 24 -8.803 5.278 23.303 1.00 0.00 N ATOM 332 CA ARG A 24 -10.016 4.892 24.078 1.00 0.00 C ATOM 333 C ARG A 24 -11.248 4.981 23.174 1.00 0.00 C ATOM 334 O ARG A 24 -11.629 6.047 22.732 1.00 0.00 O ATOM 335 CB ARG A 24 -10.185 5.840 25.267 1.00 0.00 C ATOM 336 CG ARG A 24 -8.931 5.791 26.140 1.00 0.00 C ATOM 337 CD ARG A 24 -9.042 4.632 27.132 1.00 0.00 C ATOM 338 NE ARG A 24 -7.745 4.461 27.844 1.00 0.00 N ATOM 339 CZ ARG A 24 -7.697 3.781 28.958 1.00 0.00 C ATOM 340 NH1 ARG A 24 -8.784 3.243 29.441 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.563 3.638 29.586 1.00 0.00 N ATOM 0 H ARG A 24 -8.143 5.876 23.800 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.905 3.870 24.442 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.356 6.857 24.914 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.060 5.555 25.852 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.046 5.666 25.516 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.812 6.732 26.677 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.839 4.828 27.849 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.304 3.714 26.607 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.895 4.875 27.462 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.670 3.354 28.948 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.747 2.712 30.311 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.714 4.057 29.207 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.525 3.107 30.456 1.00 0.00 H new ATOM 355 N LYS A 25 -11.874 3.871 22.896 1.00 0.00 N ATOM 356 CA LYS A 25 -13.076 3.892 22.016 1.00 0.00 C ATOM 357 C LYS A 25 -14.302 4.295 22.837 1.00 0.00 C ATOM 358 O LYS A 25 -15.239 4.877 22.326 1.00 0.00 O ATOM 359 CB LYS A 25 -13.297 2.501 21.419 1.00 0.00 C ATOM 360 CG LYS A 25 -11.990 1.996 20.803 1.00 0.00 C ATOM 361 CD LYS A 25 -11.719 2.746 19.496 1.00 0.00 C ATOM 362 CE LYS A 25 -10.451 2.194 18.844 1.00 0.00 C ATOM 363 NZ LYS A 25 -10.218 2.887 17.546 1.00 0.00 N ATOM 0 H LYS A 25 -11.605 2.949 23.241 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.924 4.612 21.212 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.637 1.812 22.192 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.078 2.539 20.660 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.165 2.147 21.499 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.055 0.925 20.613 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.566 2.636 18.819 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.605 3.812 19.693 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.596 2.340 19.505 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.550 1.121 18.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.356 2.512 17.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.030 2.726 16.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.106 3.907 17.713 1.00 0.00 H new ATOM 377 N SER A 26 -14.304 3.991 24.106 1.00 0.00 N ATOM 378 CA SER A 26 -15.484 4.329 24.951 1.00 0.00 C ATOM 379 C SER A 26 -15.010 4.970 26.257 1.00 0.00 C ATOM 380 O SER A 26 -13.875 4.811 26.661 1.00 0.00 O ATOM 381 CB SER A 26 -16.269 3.055 25.264 1.00 0.00 C ATOM 382 OG SER A 26 -16.905 2.592 24.081 1.00 0.00 O ATOM 0 H SER A 26 -13.540 3.523 24.594 1.00 0.00 H new ATOM 0 HA SER A 26 -16.126 5.028 24.415 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.600 2.288 25.654 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.012 3.253 26.036 1.00 0.00 H new ATOM 0 HG SER A 26 -17.408 1.774 24.278 1.00 0.00 H new ATOM 388 N GLY A 27 -15.869 5.694 26.920 1.00 0.00 N ATOM 389 CA GLY A 27 -15.467 6.341 28.200 1.00 0.00 C ATOM 390 C GLY A 27 -15.240 7.836 27.968 1.00 0.00 C ATOM 391 O GLY A 27 -14.724 8.243 26.946 1.00 0.00 O ATOM 0 H GLY A 27 -16.832 5.865 26.631 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -16.241 6.193 28.953 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.557 5.879 28.583 1.00 0.00 H new ATOM 395 N LEU A 28 -15.620 8.658 28.907 1.00 0.00 N ATOM 396 CA LEU A 28 -15.434 10.126 28.733 1.00 0.00 C ATOM 397 C LEU A 28 -13.940 10.449 28.691 1.00 0.00 C ATOM 398 O LEU A 28 -13.538 11.518 28.274 1.00 0.00 O ATOM 399 CB LEU A 28 -16.083 10.865 29.906 1.00 0.00 C ATOM 400 CG LEU A 28 -15.966 12.373 29.686 1.00 0.00 C ATOM 401 CD1 LEU A 28 -17.247 13.060 30.162 1.00 0.00 C ATOM 402 CD2 LEU A 28 -14.774 12.912 30.482 1.00 0.00 C ATOM 0 H LEU A 28 -16.051 8.376 29.787 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.901 10.443 27.801 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -17.131 10.580 29.994 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.597 10.584 30.840 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.818 12.575 28.625 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -17.163 14.135 30.005 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -18.097 12.676 29.598 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -17.395 12.859 31.223 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.689 13.987 30.326 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.923 12.710 31.543 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.860 12.423 30.144 1.00 0.00 H new ATOM 414 N SER A 29 -13.113 9.535 29.119 1.00 0.00 N ATOM 415 CA SER A 29 -11.646 9.796 29.115 1.00 0.00 C ATOM 416 C SER A 29 -11.134 9.797 27.673 1.00 0.00 C ATOM 417 O SER A 29 -9.969 9.564 27.417 1.00 0.00 O ATOM 418 CB SER A 29 -10.931 8.701 29.908 1.00 0.00 C ATOM 419 OG SER A 29 -9.684 9.199 30.375 1.00 0.00 O ATOM 0 H SER A 29 -13.390 8.619 29.471 1.00 0.00 H new ATOM 0 HA SER A 29 -11.448 10.765 29.573 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.547 8.384 30.749 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.774 7.824 29.280 1.00 0.00 H new ATOM 0 HG SER A 29 -9.180 9.575 29.623 1.00 0.00 H new ATOM 425 N ALA A 30 -11.994 10.058 26.728 1.00 0.00 N ATOM 426 CA ALA A 30 -11.558 10.068 25.303 1.00 0.00 C ATOM 427 C ALA A 30 -10.345 10.988 25.147 1.00 0.00 C ATOM 428 O ALA A 30 -10.347 12.114 25.605 1.00 0.00 O ATOM 429 CB ALA A 30 -12.701 10.576 24.422 1.00 0.00 C ATOM 0 H ALA A 30 -12.981 10.265 26.881 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.288 9.057 24.999 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.382 10.583 23.380 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.565 9.920 24.532 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.972 11.587 24.725 1.00 0.00 H new ATOM 435 N GLY A 31 -9.310 10.519 24.506 1.00 0.00 N ATOM 436 CA GLY A 31 -8.095 11.364 24.334 1.00 0.00 C ATOM 437 C GLY A 31 -6.860 10.582 24.783 1.00 0.00 C ATOM 438 O GLY A 31 -5.769 10.786 24.288 1.00 0.00 O ATOM 0 H GLY A 31 -9.253 9.588 24.094 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.991 11.661 23.290 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.191 12.280 24.918 1.00 0.00 H new ATOM 442 N LYS A 32 -7.022 9.686 25.719 1.00 0.00 N ATOM 443 CA LYS A 32 -5.867 8.854 26.162 1.00 0.00 C ATOM 444 C LYS A 32 -5.637 7.725 25.156 1.00 0.00 C ATOM 445 O LYS A 32 -6.568 7.119 24.664 1.00 0.00 O ATOM 446 CB LYS A 32 -6.166 8.259 27.539 1.00 0.00 C ATOM 447 CG LYS A 32 -6.124 9.366 28.594 1.00 0.00 C ATOM 448 CD LYS A 32 -6.414 8.770 29.973 1.00 0.00 C ATOM 449 CE LYS A 32 -6.332 9.870 31.033 1.00 0.00 C ATOM 450 NZ LYS A 32 -6.649 9.296 32.371 1.00 0.00 N ATOM 0 H LYS A 32 -7.903 9.495 26.195 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.973 9.475 26.222 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.146 7.782 27.536 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.436 7.486 27.779 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.146 9.847 28.593 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.858 10.136 28.357 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.404 8.314 29.983 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.697 7.980 30.197 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.334 10.308 31.041 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.031 10.672 30.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.593 10.044 33.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.610 8.898 32.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.966 8.545 32.597 1.00 0.00 H new ATOM 464 N SER A 33 -4.403 7.436 24.846 1.00 0.00 N ATOM 465 CA SER A 33 -4.117 6.395 23.820 1.00 0.00 C ATOM 466 C SER A 33 -2.976 5.497 24.306 1.00 0.00 C ATOM 467 O SER A 33 -2.179 5.885 25.137 1.00 0.00 O ATOM 468 CB SER A 33 -3.710 7.070 22.509 1.00 0.00 C ATOM 469 OG SER A 33 -4.674 8.058 22.171 1.00 0.00 O ATOM 0 H SER A 33 -3.581 7.876 25.259 1.00 0.00 H new ATOM 0 HA SER A 33 -5.010 5.791 23.657 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.725 7.526 22.612 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.637 6.329 21.713 1.00 0.00 H new ATOM 0 HG SER A 33 -4.340 8.600 21.426 1.00 0.00 H new ATOM 475 N ASP A 34 -2.892 4.300 23.794 1.00 0.00 N ATOM 476 CA ASP A 34 -1.783 3.392 24.200 1.00 0.00 C ATOM 477 C ASP A 34 -1.092 2.841 22.952 1.00 0.00 C ATOM 478 O ASP A 34 -1.720 2.595 21.940 1.00 0.00 O ATOM 479 CB ASP A 34 -2.349 2.232 25.024 1.00 0.00 C ATOM 480 CG ASP A 34 -2.843 2.757 26.372 1.00 0.00 C ATOM 481 OD1 ASP A 34 -2.628 3.927 26.646 1.00 0.00 O ATOM 482 OD2 ASP A 34 -3.428 1.981 27.110 1.00 0.00 O ATOM 0 H ASP A 34 -3.544 3.912 23.112 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.061 3.946 24.800 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.168 1.755 24.485 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.582 1.472 25.176 1.00 0.00 H new ATOM 487 N VAL A 35 0.197 2.648 23.012 1.00 0.00 N ATOM 488 CA VAL A 35 0.931 2.140 21.819 1.00 0.00 C ATOM 489 C VAL A 35 1.307 0.672 22.037 1.00 0.00 C ATOM 490 O VAL A 35 1.922 0.320 23.024 1.00 0.00 O ATOM 491 CB VAL A 35 2.201 2.966 21.611 1.00 0.00 C ATOM 492 CG1 VAL A 35 2.855 2.573 20.285 1.00 0.00 C ATOM 493 CG2 VAL A 35 1.840 4.453 21.578 1.00 0.00 C ATOM 0 H VAL A 35 0.774 2.820 23.836 1.00 0.00 H new ATOM 0 HA VAL A 35 0.294 2.225 20.938 1.00 0.00 H new ATOM 0 HB VAL A 35 2.896 2.776 22.429 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.760 3.162 20.137 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.111 1.514 20.305 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.161 2.763 19.466 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.744 5.044 21.430 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.146 4.641 20.759 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.373 4.735 22.522 1.00 0.00 H new ATOM 503 N TYR A 36 0.944 -0.185 21.123 1.00 0.00 N ATOM 504 CA TYR A 36 1.320 -1.621 21.257 1.00 0.00 C ATOM 505 C TYR A 36 2.395 -1.964 20.223 1.00 0.00 C ATOM 506 O TYR A 36 2.483 -1.351 19.179 1.00 0.00 O ATOM 507 CB TYR A 36 0.087 -2.495 21.019 1.00 0.00 C ATOM 508 CG TYR A 36 -0.901 -2.289 22.141 1.00 0.00 C ATOM 509 CD1 TYR A 36 -1.868 -1.280 22.048 1.00 0.00 C ATOM 510 CD2 TYR A 36 -0.852 -3.107 23.277 1.00 0.00 C ATOM 511 CE1 TYR A 36 -2.783 -1.088 23.089 1.00 0.00 C ATOM 512 CE2 TYR A 36 -1.769 -2.916 24.318 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.734 -1.907 24.224 1.00 0.00 C ATOM 514 OH TYR A 36 -3.637 -1.719 25.251 1.00 0.00 O ATOM 0 H TYR A 36 0.404 0.047 20.290 1.00 0.00 H new ATOM 0 HA TYR A 36 1.707 -1.804 22.259 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.373 -2.241 20.064 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.377 -3.544 20.964 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.907 -0.650 21.172 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.107 -3.885 23.350 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.527 -0.308 23.017 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.731 -3.547 25.193 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.465 -2.372 25.961 1.00 0.00 H new ATOM 524 N TYR A 37 3.213 -2.940 20.508 1.00 0.00 N ATOM 525 CA TYR A 37 4.293 -3.309 19.549 1.00 0.00 C ATOM 526 C TYR A 37 4.268 -4.820 19.310 1.00 0.00 C ATOM 527 O TYR A 37 3.987 -5.595 20.203 1.00 0.00 O ATOM 528 CB TYR A 37 5.650 -2.906 20.129 1.00 0.00 C ATOM 529 CG TYR A 37 5.718 -1.403 20.254 1.00 0.00 C ATOM 530 CD1 TYR A 37 5.204 -0.770 21.392 1.00 0.00 C ATOM 531 CD2 TYR A 37 6.295 -0.640 19.230 1.00 0.00 C ATOM 532 CE1 TYR A 37 5.267 0.623 21.508 1.00 0.00 C ATOM 533 CE2 TYR A 37 6.357 0.753 19.346 1.00 0.00 C ATOM 534 CZ TYR A 37 5.843 1.385 20.485 1.00 0.00 C ATOM 535 OH TYR A 37 5.905 2.759 20.599 1.00 0.00 O ATOM 0 H TYR A 37 3.181 -3.497 21.362 1.00 0.00 H new ATOM 0 HA TYR A 37 4.134 -2.789 18.604 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.792 -3.370 21.105 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.453 -3.265 19.486 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.758 -1.357 22.181 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.692 -1.127 18.351 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.871 1.110 22.387 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.801 1.341 18.557 1.00 0.00 H new ATOM 0 HH TYR A 37 5.779 3.016 21.536 1.00 0.00 H new ATOM 545 N PHE A 38 4.563 -5.246 18.112 1.00 0.00 N ATOM 546 CA PHE A 38 4.567 -6.707 17.822 1.00 0.00 C ATOM 547 C PHE A 38 5.934 -7.112 17.262 1.00 0.00 C ATOM 548 O PHE A 38 6.495 -6.438 16.421 1.00 0.00 O ATOM 549 CB PHE A 38 3.481 -7.026 16.793 1.00 0.00 C ATOM 550 CG PHE A 38 2.122 -6.844 17.423 1.00 0.00 C ATOM 551 CD1 PHE A 38 1.509 -5.585 17.415 1.00 0.00 C ATOM 552 CD2 PHE A 38 1.473 -7.934 18.016 1.00 0.00 C ATOM 553 CE1 PHE A 38 0.248 -5.417 18.000 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.212 -7.765 18.600 1.00 0.00 C ATOM 555 CZ PHE A 38 -0.401 -6.507 18.592 1.00 0.00 C ATOM 0 H PHE A 38 4.801 -4.646 17.323 1.00 0.00 H new ATOM 0 HA PHE A 38 4.371 -7.260 18.741 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.583 -6.372 15.927 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.594 -8.049 16.435 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.009 -4.744 16.958 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.945 -8.905 18.023 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.224 -4.446 17.995 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.288 -8.606 19.057 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.374 -6.377 19.042 1.00 0.00 H new ATOM 565 N SER A 39 6.472 -8.208 17.723 1.00 0.00 N ATOM 566 CA SER A 39 7.804 -8.651 17.221 1.00 0.00 C ATOM 567 C SER A 39 7.611 -9.619 16.053 1.00 0.00 C ATOM 568 O SER A 39 6.534 -10.137 15.835 1.00 0.00 O ATOM 569 CB SER A 39 8.563 -9.354 18.346 1.00 0.00 C ATOM 570 OG SER A 39 9.619 -8.517 18.795 1.00 0.00 O ATOM 0 H SER A 39 6.048 -8.815 18.424 1.00 0.00 H new ATOM 0 HA SER A 39 8.373 -7.785 16.885 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.887 -9.580 19.171 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.962 -10.304 17.992 1.00 0.00 H new ATOM 0 HG SER A 39 9.686 -7.733 18.210 1.00 0.00 H new ATOM 576 N PRO A 40 8.654 -9.858 15.307 1.00 0.00 N ATOM 577 CA PRO A 40 8.628 -10.810 14.159 1.00 0.00 C ATOM 578 C PRO A 40 8.341 -12.247 14.605 1.00 0.00 C ATOM 579 O PRO A 40 7.966 -13.088 13.814 1.00 0.00 O ATOM 580 CB PRO A 40 10.032 -10.704 13.567 1.00 0.00 C ATOM 581 CG PRO A 40 10.886 -10.152 14.662 1.00 0.00 C ATOM 582 CD PRO A 40 9.980 -9.245 15.479 1.00 0.00 C ATOM 0 HA PRO A 40 7.838 -10.567 13.449 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.395 -11.678 13.240 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.042 -10.051 12.694 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.297 -10.952 15.278 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.731 -9.597 14.256 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.278 -9.216 16.527 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.000 -8.219 15.113 1.00 0.00 H new ATOM 590 N SER A 41 8.514 -12.533 15.867 1.00 0.00 N ATOM 591 CA SER A 41 8.240 -13.910 16.362 1.00 0.00 C ATOM 592 C SER A 41 6.759 -14.038 16.721 1.00 0.00 C ATOM 593 O SER A 41 6.275 -15.108 17.035 1.00 0.00 O ATOM 594 CB SER A 41 9.090 -14.184 17.604 1.00 0.00 C ATOM 595 OG SER A 41 8.638 -13.363 18.673 1.00 0.00 O ATOM 0 H SER A 41 8.833 -11.872 16.575 1.00 0.00 H new ATOM 0 HA SER A 41 8.489 -14.631 15.584 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.019 -15.235 17.883 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.140 -13.980 17.393 1.00 0.00 H new ATOM 0 HG SER A 41 9.403 -13.088 19.220 1.00 0.00 H new ATOM 601 N GLY A 42 6.032 -12.954 16.676 1.00 0.00 N ATOM 602 CA GLY A 42 4.577 -13.019 16.990 1.00 0.00 C ATOM 603 C GLY A 42 4.361 -12.724 18.475 1.00 0.00 C ATOM 604 O GLY A 42 3.244 -12.675 18.952 1.00 0.00 O ATOM 0 H GLY A 42 6.383 -12.027 16.435 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.031 -12.298 16.382 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.185 -14.006 16.744 1.00 0.00 H new ATOM 608 N LYS A 43 5.420 -12.528 19.211 1.00 0.00 N ATOM 609 CA LYS A 43 5.275 -12.258 20.669 1.00 0.00 C ATOM 610 C LYS A 43 4.789 -10.821 20.876 1.00 0.00 C ATOM 611 O LYS A 43 5.279 -9.896 20.261 1.00 0.00 O ATOM 612 CB LYS A 43 6.628 -12.442 21.359 1.00 0.00 C ATOM 613 CG LYS A 43 6.478 -12.179 22.859 1.00 0.00 C ATOM 614 CD LYS A 43 7.831 -12.366 23.549 1.00 0.00 C ATOM 615 CE LYS A 43 7.677 -12.115 25.050 1.00 0.00 C ATOM 616 NZ LYS A 43 7.435 -10.664 25.288 1.00 0.00 N ATOM 0 H LYS A 43 6.380 -12.543 18.866 1.00 0.00 H new ATOM 0 HA LYS A 43 4.551 -12.952 21.096 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.998 -13.453 21.192 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.362 -11.759 20.931 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.110 -11.167 23.026 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.743 -12.861 23.287 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.204 -13.375 23.375 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.564 -11.678 23.128 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.848 -12.703 25.445 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.575 -12.436 25.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.582 -10.448 26.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.096 -10.103 24.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.458 -10.427 25.022 1.00 0.00 H new ATOM 630 N LYS A 44 3.828 -10.629 21.738 1.00 0.00 N ATOM 631 CA LYS A 44 3.311 -9.253 21.982 1.00 0.00 C ATOM 632 C LYS A 44 3.842 -8.738 23.320 1.00 0.00 C ATOM 633 O LYS A 44 4.013 -9.487 24.261 1.00 0.00 O ATOM 634 CB LYS A 44 1.781 -9.283 22.018 1.00 0.00 C ATOM 635 CG LYS A 44 1.248 -7.873 22.284 1.00 0.00 C ATOM 636 CD LYS A 44 -0.281 -7.897 22.285 1.00 0.00 C ATOM 637 CE LYS A 44 -0.813 -6.485 22.536 1.00 0.00 C ATOM 638 NZ LYS A 44 -2.304 -6.503 22.500 1.00 0.00 N ATOM 0 H LYS A 44 3.379 -11.365 22.283 1.00 0.00 H new ATOM 0 HA LYS A 44 3.644 -8.592 21.181 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.392 -9.658 21.071 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.438 -9.965 22.796 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.617 -7.508 23.243 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.611 -7.185 21.520 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.650 -8.272 21.330 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.644 -8.576 23.056 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.466 -6.120 23.503 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.428 -5.800 21.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.667 -5.543 22.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.625 -6.834 21.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.661 -7.144 23.237 1.00 0.00 H new ATOM 652 N PHE A 45 4.107 -7.463 23.413 1.00 0.00 N ATOM 653 CA PHE A 45 4.606 -6.897 24.698 1.00 0.00 C ATOM 654 C PHE A 45 4.018 -5.501 24.905 1.00 0.00 C ATOM 655 O PHE A 45 3.229 -5.025 24.113 1.00 0.00 O ATOM 656 CB PHE A 45 6.133 -6.807 24.655 1.00 0.00 C ATOM 657 CG PHE A 45 6.607 -6.949 23.228 1.00 0.00 C ATOM 658 CD1 PHE A 45 6.276 -5.972 22.280 1.00 0.00 C ATOM 659 CD2 PHE A 45 7.376 -8.056 22.852 1.00 0.00 C ATOM 660 CE1 PHE A 45 6.715 -6.103 20.957 1.00 0.00 C ATOM 661 CE2 PHE A 45 7.815 -8.187 21.530 1.00 0.00 C ATOM 662 CZ PHE A 45 7.484 -7.211 20.582 1.00 0.00 C ATOM 0 H PHE A 45 3.999 -6.789 22.655 1.00 0.00 H new ATOM 0 HA PHE A 45 4.302 -7.543 25.522 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.463 -5.853 25.066 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.571 -7.589 25.274 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.682 -5.118 22.570 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.631 -8.810 23.583 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.461 -5.350 20.226 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.409 -9.041 21.241 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.822 -7.313 19.561 1.00 0.00 H new ATOM 672 N ARG A 46 4.397 -4.838 25.964 1.00 0.00 N ATOM 673 CA ARG A 46 3.844 -3.481 26.232 1.00 0.00 C ATOM 674 C ARG A 46 4.629 -2.827 27.370 1.00 0.00 C ATOM 675 O ARG A 46 4.256 -2.912 28.523 1.00 0.00 O ATOM 676 CB ARG A 46 2.371 -3.599 26.630 1.00 0.00 C ATOM 677 CG ARG A 46 1.806 -2.207 26.915 1.00 0.00 C ATOM 678 CD ARG A 46 0.379 -2.336 27.450 1.00 0.00 C ATOM 679 NE ARG A 46 0.405 -3.017 28.776 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.658 -3.015 29.532 1.00 0.00 C ATOM 681 NH1 ARG A 46 -1.746 -2.417 29.127 1.00 0.00 N ATOM 682 NH2 ARG A 46 -0.635 -3.611 30.693 1.00 0.00 N ATOM 0 H ARG A 46 5.066 -5.178 26.655 1.00 0.00 H new ATOM 0 HA ARG A 46 3.929 -2.870 25.333 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.804 -4.076 25.830 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.271 -4.231 27.512 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.433 -1.690 27.642 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.812 -1.607 26.005 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.076 -1.350 27.544 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.233 -2.904 26.750 1.00 0.00 H new ATOM 0 HE ARG A 46 1.254 -3.485 29.092 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.765 -1.952 28.220 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.577 -2.415 29.718 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.214 -4.079 31.009 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.466 -3.609 31.284 1.00 0.00 H new ATOM 696 N SER A 47 5.714 -2.173 27.056 1.00 0.00 N ATOM 697 CA SER A 47 6.534 -1.533 28.122 1.00 0.00 C ATOM 698 C SER A 47 7.983 -1.411 27.647 1.00 0.00 C ATOM 699 O SER A 47 8.528 -2.315 27.045 1.00 0.00 O ATOM 700 CB SER A 47 6.484 -2.390 29.388 1.00 0.00 C ATOM 701 OG SER A 47 6.312 -3.754 29.023 1.00 0.00 O ATOM 0 H SER A 47 6.068 -2.055 26.107 1.00 0.00 H new ATOM 0 HA SER A 47 6.137 -0.541 28.338 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.403 -2.268 29.961 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.664 -2.066 30.029 1.00 0.00 H new ATOM 0 HG SER A 47 5.410 -4.047 29.268 1.00 0.00 H new ATOM 707 N LYS A 48 8.612 -0.298 27.911 1.00 0.00 N ATOM 708 CA LYS A 48 10.022 -0.114 27.463 1.00 0.00 C ATOM 709 C LYS A 48 10.890 -1.236 28.034 1.00 0.00 C ATOM 710 O LYS A 48 11.646 -1.871 27.326 1.00 0.00 O ATOM 711 CB LYS A 48 10.541 1.238 27.959 1.00 0.00 C ATOM 712 CG LYS A 48 11.768 1.644 27.141 1.00 0.00 C ATOM 713 CD LYS A 48 12.735 2.430 28.028 1.00 0.00 C ATOM 714 CE LYS A 48 14.019 2.725 27.250 1.00 0.00 C ATOM 715 NZ LYS A 48 14.265 1.632 26.267 1.00 0.00 N ATOM 0 H LYS A 48 8.211 0.491 28.417 1.00 0.00 H new ATOM 0 HA LYS A 48 10.065 -0.142 26.374 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.762 1.995 27.866 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.800 1.175 29.016 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.262 0.758 26.742 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.465 2.251 26.288 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.272 3.362 28.352 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.966 1.859 28.927 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.933 3.681 26.733 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.862 2.808 27.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.249 1.679 25.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.097 0.712 26.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.621 1.741 25.458 1.00 0.00 H new ATOM 729 N PRO A 49 10.781 -1.473 29.314 1.00 0.00 N ATOM 730 CA PRO A 49 11.579 -2.520 30.012 1.00 0.00 C ATOM 731 C PRO A 49 11.317 -3.922 29.453 1.00 0.00 C ATOM 732 O PRO A 49 12.174 -4.783 29.482 1.00 0.00 O ATOM 733 CB PRO A 49 11.107 -2.429 31.465 1.00 0.00 C ATOM 734 CG PRO A 49 9.789 -1.728 31.411 1.00 0.00 C ATOM 735 CD PRO A 49 9.878 -0.764 30.233 1.00 0.00 C ATOM 0 HA PRO A 49 12.650 -2.358 29.890 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.007 -3.420 31.908 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.821 -1.877 32.076 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.974 -2.438 31.274 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.593 -1.193 32.340 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.902 -0.581 29.783 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.279 0.205 30.530 1.00 0.00 H new ATOM 743 N GLN A 50 10.138 -4.157 28.944 1.00 0.00 N ATOM 744 CA GLN A 50 9.832 -5.495 28.363 1.00 0.00 C ATOM 745 C GLN A 50 10.531 -5.638 27.009 1.00 0.00 C ATOM 746 O GLN A 50 11.127 -6.654 26.712 1.00 0.00 O ATOM 747 CB GLN A 50 8.320 -5.634 28.171 1.00 0.00 C ATOM 748 CG GLN A 50 7.989 -7.062 27.738 1.00 0.00 C ATOM 749 CD GLN A 50 6.472 -7.257 27.735 1.00 0.00 C ATOM 750 OE1 GLN A 50 5.727 -6.320 27.944 1.00 0.00 O ATOM 751 NE2 GLN A 50 5.979 -8.444 27.506 1.00 0.00 N ATOM 0 H GLN A 50 9.375 -3.481 28.905 1.00 0.00 H new ATOM 0 HA GLN A 50 10.187 -6.273 29.039 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.802 -5.395 29.100 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.972 -4.925 27.420 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.393 -7.254 26.744 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.457 -7.776 28.416 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.604 -9.231 27.331 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.969 -8.585 27.503 1.00 0.00 H new ATOM 760 N LEU A 51 10.463 -4.628 26.185 1.00 0.00 N ATOM 761 CA LEU A 51 11.163 -4.689 24.872 1.00 0.00 C ATOM 762 C LEU A 51 12.676 -4.733 25.099 1.00 0.00 C ATOM 763 O LEU A 51 13.388 -5.482 24.461 1.00 0.00 O ATOM 764 CB LEU A 51 10.807 -3.451 24.046 1.00 0.00 C ATOM 765 CG LEU A 51 9.312 -3.467 23.721 1.00 0.00 C ATOM 766 CD1 LEU A 51 8.938 -2.188 22.971 1.00 0.00 C ATOM 767 CD2 LEU A 51 8.996 -4.681 22.844 1.00 0.00 C ATOM 0 H LEU A 51 9.953 -3.763 26.365 1.00 0.00 H new ATOM 0 HA LEU A 51 10.851 -5.586 24.337 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.060 -2.547 24.599 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.390 -3.435 23.125 1.00 0.00 H new ATOM 0 HG LEU A 51 8.740 -3.525 24.647 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.873 -2.200 22.740 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.165 -1.322 23.593 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.510 -2.129 22.045 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.931 -4.694 22.611 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.569 -4.620 21.919 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.262 -5.594 23.377 1.00 0.00 H new ATOM 779 N ALA A 52 13.173 -3.933 26.003 1.00 0.00 N ATOM 780 CA ALA A 52 14.638 -3.934 26.274 1.00 0.00 C ATOM 781 C ALA A 52 15.096 -5.355 26.608 1.00 0.00 C ATOM 782 O ALA A 52 16.118 -5.814 26.140 1.00 0.00 O ATOM 783 CB ALA A 52 14.937 -3.013 27.458 1.00 0.00 C ATOM 0 H ALA A 52 12.628 -3.279 26.565 1.00 0.00 H new ATOM 0 HA ALA A 52 15.170 -3.579 25.391 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.009 -3.013 27.657 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.612 -2.000 27.222 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.404 -3.369 28.340 1.00 0.00 H new ATOM 789 N ARG A 53 14.346 -6.056 27.414 1.00 0.00 N ATOM 790 CA ARG A 53 14.737 -7.447 27.776 1.00 0.00 C ATOM 791 C ARG A 53 14.666 -8.339 26.536 1.00 0.00 C ATOM 792 O ARG A 53 15.483 -9.219 26.345 1.00 0.00 O ATOM 793 CB ARG A 53 13.783 -7.982 28.846 1.00 0.00 C ATOM 794 CG ARG A 53 14.021 -7.235 30.159 1.00 0.00 C ATOM 795 CD ARG A 53 12.996 -7.688 31.201 1.00 0.00 C ATOM 796 NE ARG A 53 13.244 -9.115 31.552 1.00 0.00 N ATOM 797 CZ ARG A 53 12.623 -9.654 32.566 1.00 0.00 C ATOM 798 NH1 ARG A 53 11.780 -8.945 33.265 1.00 0.00 N ATOM 799 NH2 ARG A 53 12.844 -10.902 32.877 1.00 0.00 N ATOM 0 H ARG A 53 13.479 -5.725 27.837 1.00 0.00 H new ATOM 0 HA ARG A 53 15.756 -7.448 28.163 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.750 -7.854 28.524 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.942 -9.051 28.989 1.00 0.00 H new ATOM 0 HG2 ARG A 53 15.031 -7.427 30.520 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.939 -6.160 29.997 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.068 -7.065 32.093 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.986 -7.569 30.809 1.00 0.00 H new ATOM 0 HE ARG A 53 13.898 -9.670 31.000 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.607 -7.970 33.019 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.294 -9.365 34.057 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.502 -11.456 32.328 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.359 -11.324 33.669 1.00 0.00 H new ATOM 813 N TYR A 54 13.696 -8.122 25.691 1.00 0.00 N ATOM 814 CA TYR A 54 13.577 -8.960 24.465 1.00 0.00 C ATOM 815 C TYR A 54 14.699 -8.604 23.488 1.00 0.00 C ATOM 816 O TYR A 54 15.372 -9.466 22.959 1.00 0.00 O ATOM 817 CB TYR A 54 12.223 -8.702 23.800 1.00 0.00 C ATOM 818 CG TYR A 54 11.949 -9.780 22.778 1.00 0.00 C ATOM 819 CD1 TYR A 54 11.639 -11.079 23.197 1.00 0.00 C ATOM 820 CD2 TYR A 54 12.006 -9.480 21.412 1.00 0.00 C ATOM 821 CE1 TYR A 54 11.386 -12.079 22.250 1.00 0.00 C ATOM 822 CE2 TYR A 54 11.753 -10.480 20.464 1.00 0.00 C ATOM 823 CZ TYR A 54 11.443 -11.779 20.883 1.00 0.00 C ATOM 824 OH TYR A 54 11.193 -12.764 19.951 1.00 0.00 O ATOM 0 H TYR A 54 12.982 -7.402 25.796 1.00 0.00 H new ATOM 0 HA TYR A 54 13.655 -10.012 24.738 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.434 -8.690 24.551 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.222 -7.723 23.321 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.595 -11.310 24.251 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.245 -8.478 21.089 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.147 -13.081 22.574 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.797 -10.249 19.410 1.00 0.00 H new ATOM 0 HH TYR A 54 11.272 -12.389 19.049 1.00 0.00 H new ATOM 834 N LEU A 55 14.906 -7.339 23.244 1.00 0.00 N ATOM 835 CA LEU A 55 15.991 -6.928 22.309 1.00 0.00 C ATOM 836 C LEU A 55 17.348 -7.324 22.892 1.00 0.00 C ATOM 837 O LEU A 55 18.314 -7.504 22.176 1.00 0.00 O ATOM 838 CB LEU A 55 15.944 -5.411 22.110 1.00 0.00 C ATOM 839 CG LEU A 55 15.016 -5.079 20.940 1.00 0.00 C ATOM 840 CD1 LEU A 55 15.646 -5.562 19.633 1.00 0.00 C ATOM 841 CD2 LEU A 55 13.670 -5.777 21.145 1.00 0.00 C ATOM 0 H LEU A 55 14.371 -6.572 23.652 1.00 0.00 H new ATOM 0 HA LEU A 55 15.851 -7.426 21.350 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.589 -4.925 23.019 1.00 0.00 H new ATOM 0 HB3 LEU A 55 16.945 -5.028 21.914 1.00 0.00 H new ATOM 0 HG LEU A 55 14.865 -4.001 20.892 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.984 -5.325 18.800 1.00 0.00 H new ATOM 0 HD12 LEU A 55 16.605 -5.066 19.486 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.799 -6.640 19.679 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.007 -5.541 20.312 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.823 -6.855 21.193 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.219 -5.432 22.076 1.00 0.00 H new ATOM 853 N GLY A 56 17.432 -7.462 24.187 1.00 0.00 N ATOM 854 CA GLY A 56 18.727 -7.854 24.812 1.00 0.00 C ATOM 855 C GLY A 56 19.772 -6.767 24.550 1.00 0.00 C ATOM 856 O GLY A 56 19.493 -5.765 23.921 1.00 0.00 O ATOM 0 H GLY A 56 16.660 -7.320 24.839 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.596 -7.996 25.885 1.00 0.00 H new ATOM 0 HA3 GLY A 56 19.067 -8.806 24.403 1.00 0.00 H new ATOM 860 N ASN A 57 20.972 -6.956 25.027 1.00 0.00 N ATOM 861 CA ASN A 57 22.034 -5.936 24.799 1.00 0.00 C ATOM 862 C ASN A 57 22.333 -5.836 23.301 1.00 0.00 C ATOM 863 O ASN A 57 22.788 -4.820 22.816 1.00 0.00 O ATOM 864 CB ASN A 57 23.303 -6.347 25.546 1.00 0.00 C ATOM 865 CG ASN A 57 23.075 -6.215 27.053 1.00 0.00 C ATOM 866 OD1 ASN A 57 22.174 -5.524 27.484 1.00 0.00 O ATOM 867 ND2 ASN A 57 23.858 -6.855 27.877 1.00 0.00 N ATOM 0 H ASN A 57 21.263 -7.773 25.565 1.00 0.00 H new ATOM 0 HA ASN A 57 21.693 -4.968 25.166 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.568 -7.374 25.296 1.00 0.00 H new ATOM 0 HB3 ASN A 57 24.139 -5.719 25.238 1.00 0.00 H new ATOM 0 HD21 ASN A 57 23.714 -6.775 28.884 1.00 0.00 H new ATOM 0 HD22 ASN A 57 24.615 -7.435 27.515 1.00 0.00 H new ATOM 874 N ALA A 58 22.081 -6.883 22.566 1.00 0.00 N ATOM 875 CA ALA A 58 22.356 -6.848 21.101 1.00 0.00 C ATOM 876 C ALA A 58 21.901 -5.504 20.530 1.00 0.00 C ATOM 877 O ALA A 58 22.412 -5.038 19.531 1.00 0.00 O ATOM 878 CB ALA A 58 21.592 -7.980 20.411 1.00 0.00 C ATOM 0 H ALA A 58 21.697 -7.761 22.915 1.00 0.00 H new ATOM 0 HA ALA A 58 23.425 -6.974 20.929 1.00 0.00 H new ATOM 0 HB1 ALA A 58 21.793 -7.955 19.340 1.00 0.00 H new ATOM 0 HB2 ALA A 58 21.915 -8.938 20.818 1.00 0.00 H new ATOM 0 HB3 ALA A 58 20.523 -7.855 20.583 1.00 0.00 H new ATOM 884 N VAL A 59 20.943 -4.876 21.156 1.00 0.00 N ATOM 885 CA VAL A 59 20.456 -3.563 20.648 1.00 0.00 C ATOM 886 C VAL A 59 20.115 -2.654 21.830 1.00 0.00 C ATOM 887 O VAL A 59 19.636 -3.104 22.852 1.00 0.00 O ATOM 888 CB VAL A 59 19.207 -3.778 19.792 1.00 0.00 C ATOM 889 CG1 VAL A 59 18.727 -2.434 19.240 1.00 0.00 C ATOM 890 CG2 VAL A 59 19.542 -4.715 18.629 1.00 0.00 C ATOM 0 H VAL A 59 20.477 -5.216 21.997 1.00 0.00 H new ATOM 0 HA VAL A 59 21.234 -3.096 20.043 1.00 0.00 H new ATOM 0 HB VAL A 59 18.421 -4.221 20.403 1.00 0.00 H new ATOM 0 HG11 VAL A 59 17.837 -2.588 18.630 1.00 0.00 H new ATOM 0 HG12 VAL A 59 18.489 -1.765 20.067 1.00 0.00 H new ATOM 0 HG13 VAL A 59 19.513 -1.990 18.629 1.00 0.00 H new ATOM 0 HG21 VAL A 59 18.653 -4.869 18.018 1.00 0.00 H new ATOM 0 HG22 VAL A 59 20.329 -4.271 18.019 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.884 -5.673 19.021 1.00 0.00 H new ATOM 900 N ASP A 60 20.357 -1.379 21.701 1.00 0.00 N ATOM 901 CA ASP A 60 20.034 -0.442 22.813 1.00 0.00 C ATOM 902 C ASP A 60 18.823 0.410 22.429 1.00 0.00 C ATOM 903 O ASP A 60 18.842 1.126 21.447 1.00 0.00 O ATOM 904 CB ASP A 60 21.236 0.469 23.078 1.00 0.00 C ATOM 905 CG ASP A 60 21.050 1.183 24.418 1.00 0.00 C ATOM 906 OD1 ASP A 60 19.937 1.183 24.918 1.00 0.00 O ATOM 907 OD2 ASP A 60 22.023 1.718 24.923 1.00 0.00 O ATOM 0 H ASP A 60 20.765 -0.945 20.873 1.00 0.00 H new ATOM 0 HA ASP A 60 19.805 -1.013 23.713 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.155 -0.118 23.091 1.00 0.00 H new ATOM 0 HB3 ASP A 60 21.336 1.200 22.275 1.00 0.00 H new ATOM 912 N LEU A 61 17.769 0.341 23.195 1.00 0.00 N ATOM 913 CA LEU A 61 16.559 1.147 22.872 1.00 0.00 C ATOM 914 C LEU A 61 16.585 2.450 23.675 1.00 0.00 C ATOM 915 O LEU A 61 15.573 3.092 23.867 1.00 0.00 O ATOM 916 CB LEU A 61 15.304 0.351 23.235 1.00 0.00 C ATOM 917 CG LEU A 61 15.194 -0.873 22.323 1.00 0.00 C ATOM 918 CD1 LEU A 61 16.382 -1.803 22.572 1.00 0.00 C ATOM 919 CD2 LEU A 61 13.892 -1.617 22.625 1.00 0.00 C ATOM 0 H LEU A 61 17.694 -0.239 24.031 1.00 0.00 H new ATOM 0 HA LEU A 61 16.549 1.376 21.806 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.348 0.038 24.278 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.419 0.978 23.128 1.00 0.00 H new ATOM 0 HG LEU A 61 15.197 -0.552 21.281 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.304 -2.675 21.923 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.310 -1.273 22.358 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.380 -2.125 23.613 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.812 -2.489 21.976 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.890 -1.938 23.667 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.045 -0.954 22.448 1.00 0.00 H new ATOM 931 N SER A 62 17.738 2.844 24.147 1.00 0.00 N ATOM 932 CA SER A 62 17.827 4.098 24.945 1.00 0.00 C ATOM 933 C SER A 62 17.310 5.271 24.109 1.00 0.00 C ATOM 934 O SER A 62 16.586 6.119 24.594 1.00 0.00 O ATOM 935 CB SER A 62 19.283 4.352 25.334 1.00 0.00 C ATOM 936 OG SER A 62 19.748 3.276 26.138 1.00 0.00 O ATOM 0 H SER A 62 18.621 2.351 24.014 1.00 0.00 H new ATOM 0 HA SER A 62 17.222 3.999 25.847 1.00 0.00 H new ATOM 0 HB2 SER A 62 19.899 4.446 24.440 1.00 0.00 H new ATOM 0 HB3 SER A 62 19.367 5.292 25.880 1.00 0.00 H new ATOM 0 HG SER A 62 19.493 2.425 25.724 1.00 0.00 H new ATOM 942 N CYS A 63 17.675 5.327 22.858 1.00 0.00 N ATOM 943 CA CYS A 63 17.203 6.445 21.993 1.00 0.00 C ATOM 944 C CYS A 63 15.757 6.183 21.566 1.00 0.00 C ATOM 945 O CYS A 63 15.208 6.881 20.737 1.00 0.00 O ATOM 946 CB CYS A 63 18.091 6.540 20.752 1.00 0.00 C ATOM 947 SG CYS A 63 19.457 7.685 21.074 1.00 0.00 S ATOM 0 H CYS A 63 18.280 4.647 22.397 1.00 0.00 H new ATOM 0 HA CYS A 63 17.255 7.381 22.549 1.00 0.00 H new ATOM 0 HB2 CYS A 63 18.481 5.555 20.494 1.00 0.00 H new ATOM 0 HB3 CYS A 63 17.507 6.885 19.899 1.00 0.00 H new ATOM 0 HG CYS A 63 20.214 7.765 20.020 1.00 0.00 H new ATOM 953 N PHE A 64 15.135 5.182 22.127 1.00 0.00 N ATOM 954 CA PHE A 64 13.728 4.874 21.749 1.00 0.00 C ATOM 955 C PHE A 64 12.776 5.520 22.758 1.00 0.00 C ATOM 956 O PHE A 64 12.843 5.262 23.943 1.00 0.00 O ATOM 957 CB PHE A 64 13.519 3.358 21.751 1.00 0.00 C ATOM 958 CG PHE A 64 12.240 3.024 21.022 1.00 0.00 C ATOM 959 CD1 PHE A 64 12.205 3.049 19.622 1.00 0.00 C ATOM 960 CD2 PHE A 64 11.088 2.689 21.745 1.00 0.00 C ATOM 961 CE1 PHE A 64 11.019 2.739 18.946 1.00 0.00 C ATOM 962 CE2 PHE A 64 9.903 2.381 21.068 1.00 0.00 C ATOM 963 CZ PHE A 64 9.868 2.405 19.669 1.00 0.00 C ATOM 0 H PHE A 64 15.541 4.565 22.830 1.00 0.00 H new ATOM 0 HA PHE A 64 13.525 5.268 20.753 1.00 0.00 H new ATOM 0 HB2 PHE A 64 14.363 2.863 21.271 1.00 0.00 H new ATOM 0 HB3 PHE A 64 13.473 2.988 22.775 1.00 0.00 H new ATOM 0 HD1 PHE A 64 13.093 3.307 19.064 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.115 2.668 22.824 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.992 2.758 17.866 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.014 2.124 21.626 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.953 2.166 19.147 1.00 0.00 H new ATOM 973 N ASP A 65 11.888 6.358 22.296 1.00 0.00 N ATOM 974 CA ASP A 65 10.935 7.023 23.229 1.00 0.00 C ATOM 975 C ASP A 65 9.933 5.992 23.754 1.00 0.00 C ATOM 976 O ASP A 65 10.177 5.319 24.736 1.00 0.00 O ATOM 977 CB ASP A 65 10.186 8.132 22.489 1.00 0.00 C ATOM 978 CG ASP A 65 11.052 9.393 22.446 1.00 0.00 C ATOM 979 OD1 ASP A 65 12.082 9.403 23.100 1.00 0.00 O ATOM 980 OD2 ASP A 65 10.669 10.327 21.760 1.00 0.00 O ATOM 0 H ASP A 65 11.782 6.611 21.314 1.00 0.00 H new ATOM 0 HA ASP A 65 11.486 7.453 24.065 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.945 7.809 21.476 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.241 8.344 22.990 1.00 0.00 H new ATOM 985 N PHE A 66 8.807 5.863 23.107 1.00 0.00 N ATOM 986 CA PHE A 66 7.792 4.876 23.568 1.00 0.00 C ATOM 987 C PHE A 66 6.442 5.193 22.923 1.00 0.00 C ATOM 988 O PHE A 66 5.955 4.459 22.086 1.00 0.00 O ATOM 989 CB PHE A 66 7.660 4.953 25.091 1.00 0.00 C ATOM 990 CG PHE A 66 6.369 4.299 25.519 1.00 0.00 C ATOM 991 CD1 PHE A 66 6.039 3.025 25.042 1.00 0.00 C ATOM 992 CD2 PHE A 66 5.501 4.966 26.393 1.00 0.00 C ATOM 993 CE1 PHE A 66 4.840 2.418 25.439 1.00 0.00 C ATOM 994 CE2 PHE A 66 4.304 4.359 26.790 1.00 0.00 C ATOM 995 CZ PHE A 66 3.973 3.085 26.314 1.00 0.00 C ATOM 0 H PHE A 66 8.547 6.399 22.279 1.00 0.00 H new ATOM 0 HA PHE A 66 8.105 3.872 23.281 1.00 0.00 H new ATOM 0 HB2 PHE A 66 8.506 4.456 25.565 1.00 0.00 H new ATOM 0 HB3 PHE A 66 7.678 5.993 25.416 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.708 2.510 24.368 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.756 5.949 26.761 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.584 1.436 25.070 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.635 4.874 27.464 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.050 2.617 26.621 1.00 0.00 H new ATOM 1005 N ARG A 67 5.832 6.282 23.304 1.00 0.00 N ATOM 1006 CA ARG A 67 4.518 6.649 22.705 1.00 0.00 C ATOM 1007 C ARG A 67 4.720 7.057 21.245 1.00 0.00 C ATOM 1008 O ARG A 67 3.935 6.718 20.382 1.00 0.00 O ATOM 1009 CB ARG A 67 3.911 7.819 23.483 1.00 0.00 C ATOM 1010 CG ARG A 67 3.365 7.315 24.821 1.00 0.00 C ATOM 1011 CD ARG A 67 2.913 8.506 25.668 1.00 0.00 C ATOM 1012 NE ARG A 67 4.108 9.267 26.132 1.00 0.00 N ATOM 1013 CZ ARG A 67 3.962 10.454 26.653 1.00 0.00 C ATOM 1014 NH1 ARG A 67 2.771 10.975 26.768 1.00 0.00 N ATOM 1015 NH2 ARG A 67 5.008 11.121 27.058 1.00 0.00 N ATOM 0 H ARG A 67 6.187 6.933 24.004 1.00 0.00 H new ATOM 0 HA ARG A 67 3.845 5.793 22.753 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.666 8.587 23.652 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.112 8.280 22.902 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.529 6.637 24.652 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.133 6.750 25.349 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.260 9.154 25.084 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.335 8.159 26.524 1.00 0.00 H new ATOM 0 HE ARG A 67 5.039 8.860 26.042 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.954 10.454 26.450 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.658 11.903 27.175 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.939 10.714 26.967 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.895 12.049 27.465 1.00 0.00 H new ATOM 1029 N THR A 68 5.766 7.784 20.962 1.00 0.00 N ATOM 1030 CA THR A 68 6.009 8.224 19.559 1.00 0.00 C ATOM 1031 C THR A 68 6.949 7.234 18.869 1.00 0.00 C ATOM 1032 O THR A 68 7.316 7.405 17.723 1.00 0.00 O ATOM 1033 CB THR A 68 6.648 9.615 19.565 1.00 0.00 C ATOM 1034 OG1 THR A 68 7.689 9.653 20.531 1.00 0.00 O ATOM 1035 CG2 THR A 68 5.591 10.664 19.910 1.00 0.00 C ATOM 0 H THR A 68 6.462 8.092 21.641 1.00 0.00 H new ATOM 0 HA THR A 68 5.062 8.261 19.020 1.00 0.00 H new ATOM 0 HB THR A 68 7.059 9.829 18.579 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.575 10.440 21.104 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.048 11.654 19.914 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.794 10.635 19.167 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.176 10.452 20.896 1.00 0.00 H new ATOM 1043 N GLY A 69 7.343 6.197 19.558 1.00 0.00 N ATOM 1044 CA GLY A 69 8.258 5.197 18.941 1.00 0.00 C ATOM 1045 C GLY A 69 9.223 5.905 17.988 1.00 0.00 C ATOM 1046 O GLY A 69 9.411 5.494 16.860 1.00 0.00 O ATOM 0 H GLY A 69 7.070 6.000 20.521 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.816 4.672 19.717 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.682 4.447 18.400 1.00 0.00 H new ATOM 1050 N LYS A 70 9.838 6.967 18.433 1.00 0.00 N ATOM 1051 CA LYS A 70 10.792 7.698 17.553 1.00 0.00 C ATOM 1052 C LYS A 70 12.219 7.487 18.060 1.00 0.00 C ATOM 1053 O LYS A 70 12.435 6.961 19.134 1.00 0.00 O ATOM 1054 CB LYS A 70 10.460 9.192 17.570 1.00 0.00 C ATOM 1055 CG LYS A 70 10.622 9.734 18.992 1.00 0.00 C ATOM 1056 CD LYS A 70 10.658 11.263 18.955 1.00 0.00 C ATOM 1057 CE LYS A 70 9.259 11.800 18.647 1.00 0.00 C ATOM 1058 NZ LYS A 70 9.261 13.286 18.759 1.00 0.00 N ATOM 0 H LYS A 70 9.721 7.359 19.367 1.00 0.00 H new ATOM 0 HA LYS A 70 10.709 7.319 16.534 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.118 9.730 16.887 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.440 9.353 17.222 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.797 9.394 19.618 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.539 9.349 19.437 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.006 11.652 19.912 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.364 11.602 18.197 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.956 11.501 17.644 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.534 11.373 19.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.310 13.651 18.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.533 13.561 19.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.942 13.684 18.081 1.00 0.00 H new ATOM 1072 N MET A 71 13.197 7.893 17.297 1.00 0.00 N ATOM 1073 CA MET A 71 14.609 7.716 17.738 1.00 0.00 C ATOM 1074 C MET A 71 15.173 9.064 18.193 1.00 0.00 C ATOM 1075 O MET A 71 14.803 10.106 17.687 1.00 0.00 O ATOM 1076 CB MET A 71 15.445 7.182 16.573 1.00 0.00 C ATOM 1077 CG MET A 71 16.792 6.682 17.098 1.00 0.00 C ATOM 1078 SD MET A 71 16.531 5.235 18.152 1.00 0.00 S ATOM 1079 CE MET A 71 17.752 4.157 17.365 1.00 0.00 C ATOM 0 H MET A 71 13.079 8.339 16.388 1.00 0.00 H new ATOM 0 HA MET A 71 14.645 7.008 18.566 1.00 0.00 H new ATOM 0 HB2 MET A 71 14.915 6.372 16.072 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.600 7.967 15.833 1.00 0.00 H new ATOM 0 HG2 MET A 71 17.446 6.425 16.265 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.290 7.471 17.662 1.00 0.00 H new ATOM 0 HE1 MET A 71 17.686 3.158 17.795 1.00 0.00 H new ATOM 0 HE2 MET A 71 17.555 4.105 16.294 1.00 0.00 H new ATOM 0 HE3 MET A 71 18.752 4.558 17.531 1.00 0.00 H new