USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 527 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 59 ASN : amide:sc= -0.0872 K(o=-0.24,f=-2!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.036 USER MOD Single : A 15 CYS SG : rot 28:sc= 0.394 USER MOD Single : A 17 LYS NZ :NH3+ -144:sc= -0.181 (180deg=-1.67!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -1.99 X(o=-2,f=-2) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.529 K(o=-0.53,f=-3!) USER MOD Single : A 47 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= -1.51! USER MOD Single : A 60 GLN : amide:sc= -0.0782 K(o=-0.078,f=-1.1) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 27:sc= 0.0918 USER MOD Single : A 69 ASN : amide:sc= -0.0615 X(o=-0.062,f=-0.023) USER MOD Single : A 74 SER OG : rot -160:sc= -0.231 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.582 15.178 11.394 1.00 0.00 N ATOM 67 CA LEU A 8 6.249 15.015 12.681 1.00 0.00 C ATOM 68 C LEU A 8 5.775 13.746 13.383 1.00 0.00 C ATOM 69 O LEU A 8 4.577 13.468 13.443 1.00 0.00 O ATOM 70 CB LEU A 8 5.988 16.231 13.571 1.00 0.00 C ATOM 71 CG LEU A 8 6.267 17.596 12.940 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.373 18.661 13.556 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.733 17.969 13.102 1.00 0.00 C ATOM 0 HA LEU A 8 7.320 14.929 12.499 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.946 16.206 13.889 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.598 16.137 14.469 1.00 0.00 H new ATOM 0 HG LEU A 8 6.044 17.535 11.875 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.585 19.626 13.095 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.328 18.401 13.388 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.564 18.721 14.627 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.913 18.943 12.647 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.983 18.012 14.162 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.355 17.220 12.613 1.00 0.00 H new ATOM 85 N ARG A 9 6.723 12.981 13.915 1.00 0.00 N ATOM 86 CA ARG A 9 6.402 11.743 14.614 1.00 0.00 C ATOM 87 C ARG A 9 6.773 11.840 16.091 1.00 0.00 C ATOM 88 O ARG A 9 7.213 12.889 16.563 1.00 0.00 O ATOM 89 CB ARG A 9 7.135 10.564 13.970 1.00 0.00 C ATOM 90 CG ARG A 9 6.558 10.149 12.626 1.00 0.00 C ATOM 91 CD ARG A 9 5.135 9.633 12.766 1.00 0.00 C ATOM 92 NE ARG A 9 4.148 10.693 12.578 1.00 0.00 N ATOM 93 CZ ARG A 9 2.846 10.468 12.442 1.00 0.00 C ATOM 94 NH1 ARG A 9 2.376 9.229 12.474 1.00 0.00 N ATOM 95 NH2 ARG A 9 2.010 11.485 12.274 1.00 0.00 N ATOM 0 H ARG A 9 7.719 13.197 13.875 1.00 0.00 H new ATOM 0 HA ARG A 9 5.327 11.580 14.537 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.185 10.827 13.840 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.102 9.712 14.649 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.572 11.000 11.944 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.185 9.375 12.183 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.962 8.843 12.035 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.006 9.188 13.753 1.00 0.00 H new ATOM 0 HE ARG A 9 4.476 11.658 12.550 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.015 8.444 12.603 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.376 9.060 12.369 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.367 12.440 12.249 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.010 11.312 12.170 1.00 0.00 H new ATOM 109 N ARG A 10 6.592 10.741 16.815 1.00 0.00 N ATOM 110 CA ARG A 10 6.905 10.703 18.238 1.00 0.00 C ATOM 111 C ARG A 10 7.321 9.299 18.666 1.00 0.00 C ATOM 112 O ARG A 10 6.582 8.335 18.471 1.00 0.00 O ATOM 113 CB ARG A 10 5.700 11.162 19.060 1.00 0.00 C ATOM 114 CG ARG A 10 5.676 12.659 19.322 1.00 0.00 C ATOM 115 CD ARG A 10 4.339 13.103 19.895 1.00 0.00 C ATOM 116 NE ARG A 10 3.255 12.960 18.927 1.00 0.00 N ATOM 117 CZ ARG A 10 3.087 13.768 17.886 1.00 0.00 C ATOM 118 NH1 ARG A 10 3.930 14.771 17.679 1.00 0.00 N ATOM 119 NH2 ARG A 10 2.076 13.574 17.049 1.00 0.00 N ATOM 0 H ARG A 10 6.230 9.865 16.439 1.00 0.00 H new ATOM 0 HA ARG A 10 7.739 11.381 18.419 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.786 10.878 18.539 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.700 10.635 20.014 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.475 12.921 20.015 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.871 13.195 18.393 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.112 12.514 20.784 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.408 14.144 20.211 1.00 0.00 H new ATOM 0 HE ARG A 10 2.590 12.198 19.057 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.709 14.923 18.320 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.799 15.390 16.879 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.426 12.803 17.204 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.949 14.196 16.250 1.00 0.00 H new ATOM 133 N ALA A 11 8.510 9.191 19.251 1.00 0.00 N ATOM 134 CA ALA A 11 9.024 7.906 19.707 1.00 0.00 C ATOM 135 C ALA A 11 9.991 8.084 20.873 1.00 0.00 C ATOM 136 O ALA A 11 10.514 9.176 21.098 1.00 0.00 O ATOM 137 CB ALA A 11 9.704 7.172 18.561 1.00 0.00 C ATOM 0 H ALA A 11 9.135 9.979 19.420 1.00 0.00 H new ATOM 0 HA ALA A 11 8.182 7.309 20.056 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.083 6.214 18.917 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.985 7.003 17.760 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.532 7.773 18.185 1.00 0.00 H new ATOM 143 N THR A 12 10.225 7.004 21.612 1.00 0.00 N ATOM 144 CA THR A 12 11.128 7.042 22.756 1.00 0.00 C ATOM 145 C THR A 12 12.531 6.593 22.363 1.00 0.00 C ATOM 146 O THR A 12 12.698 5.685 21.549 1.00 0.00 O ATOM 147 CB THR A 12 10.618 6.150 23.903 1.00 0.00 C ATOM 148 OG1 THR A 12 10.027 4.959 23.373 1.00 0.00 O ATOM 149 CG2 THR A 12 9.599 6.893 24.754 1.00 0.00 C ATOM 0 H THR A 12 9.802 6.092 21.439 1.00 0.00 H new ATOM 0 HA THR A 12 11.163 8.076 23.098 1.00 0.00 H new ATOM 0 HB THR A 12 11.468 5.884 24.531 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.707 4.397 24.109 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.253 6.243 25.558 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.061 7.783 25.181 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.752 7.186 24.134 1.00 0.00 H new ATOM 157 N VAL A 13 13.538 7.234 22.948 1.00 0.00 N ATOM 158 CA VAL A 13 14.927 6.899 22.661 1.00 0.00 C ATOM 159 C VAL A 13 15.339 5.612 23.366 1.00 0.00 C ATOM 160 O VAL A 13 14.949 5.366 24.506 1.00 0.00 O ATOM 161 CB VAL A 13 15.878 8.033 23.088 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.324 7.652 22.808 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.512 9.329 22.381 1.00 0.00 C ATOM 0 H VAL A 13 13.417 7.988 23.624 1.00 0.00 H new ATOM 0 HA VAL A 13 15.002 6.759 21.583 1.00 0.00 H new ATOM 0 HB VAL A 13 15.771 8.189 24.161 1.00 0.00 H new ATOM 0 HG11 VAL A 13 17.981 8.465 23.116 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.577 6.750 23.365 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.452 7.467 21.741 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.194 10.120 22.694 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.589 9.190 21.303 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.490 9.608 22.639 1.00 0.00 H new ATOM 173 N GLU A 14 16.131 4.795 22.679 1.00 0.00 N ATOM 174 CA GLU A 14 16.596 3.532 23.240 1.00 0.00 C ATOM 175 C GLU A 14 17.623 3.772 24.344 1.00 0.00 C ATOM 176 O GLU A 14 17.344 3.554 25.523 1.00 0.00 O ATOM 177 CB GLU A 14 17.205 2.654 22.144 1.00 0.00 C ATOM 178 CG GLU A 14 17.895 1.409 22.675 1.00 0.00 C ATOM 179 CD GLU A 14 17.875 0.263 21.682 1.00 0.00 C ATOM 180 OE1 GLU A 14 16.799 -0.007 21.108 1.00 0.00 O ATOM 181 OE2 GLU A 14 18.936 -0.363 21.478 1.00 0.00 O ATOM 0 H GLU A 14 16.464 4.985 21.734 1.00 0.00 H new ATOM 0 HA GLU A 14 15.737 3.018 23.672 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.419 2.356 21.450 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.924 3.244 21.576 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.928 1.650 22.926 1.00 0.00 H new ATOM 0 HG3 GLU A 14 17.408 1.094 23.598 1.00 0.00 H new ATOM 188 N CYS A 15 18.810 4.221 23.952 1.00 0.00 N ATOM 189 CA CYS A 15 19.879 4.490 24.907 1.00 0.00 C ATOM 190 C CYS A 15 20.815 5.575 24.384 1.00 0.00 C ATOM 191 O CYS A 15 21.220 5.553 23.221 1.00 0.00 O ATOM 192 CB CYS A 15 20.669 3.212 25.192 1.00 0.00 C ATOM 193 SG CYS A 15 19.954 2.176 26.491 1.00 0.00 S ATOM 0 H CYS A 15 19.056 4.406 22.980 1.00 0.00 H new ATOM 0 HA CYS A 15 19.425 4.843 25.833 1.00 0.00 H new ATOM 0 HB2 CYS A 15 20.739 2.628 24.274 1.00 0.00 H new ATOM 0 HB3 CYS A 15 21.686 3.482 25.476 1.00 0.00 H new ATOM 0 HG CYS A 15 18.668 2.359 26.534 1.00 0.00 H new ATOM 199 N VAL A 16 21.154 6.524 25.250 1.00 0.00 N ATOM 200 CA VAL A 16 22.042 7.618 24.876 1.00 0.00 C ATOM 201 C VAL A 16 23.231 7.711 25.826 1.00 0.00 C ATOM 202 O VAL A 16 23.085 8.099 26.985 1.00 0.00 O ATOM 203 CB VAL A 16 21.298 8.967 24.869 1.00 0.00 C ATOM 204 CG1 VAL A 16 22.203 10.074 24.351 1.00 0.00 C ATOM 205 CG2 VAL A 16 20.029 8.871 24.036 1.00 0.00 C ATOM 0 H VAL A 16 20.827 6.557 26.216 1.00 0.00 H new ATOM 0 HA VAL A 16 22.401 7.404 23.869 1.00 0.00 H new ATOM 0 HB VAL A 16 21.016 9.211 25.893 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.660 11.019 24.353 1.00 0.00 H new ATOM 0 HG12 VAL A 16 23.080 10.158 24.993 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.519 9.840 23.334 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.516 9.833 24.042 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.286 8.603 23.011 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.374 8.108 24.457 1.00 0.00 H new ATOM 215 N LYS A 17 24.409 7.352 25.327 1.00 0.00 N ATOM 216 CA LYS A 17 25.625 7.396 26.130 1.00 0.00 C ATOM 217 C LYS A 17 26.758 8.071 25.364 1.00 0.00 C ATOM 218 O LYS A 17 27.402 8.990 25.871 1.00 0.00 O ATOM 219 CB LYS A 17 26.043 5.981 26.538 1.00 0.00 C ATOM 220 CG LYS A 17 25.282 5.444 27.738 1.00 0.00 C ATOM 221 CD LYS A 17 25.582 3.974 27.976 1.00 0.00 C ATOM 222 CE LYS A 17 26.843 3.790 28.807 1.00 0.00 C ATOM 223 NZ LYS A 17 28.075 3.911 27.979 1.00 0.00 N ATOM 0 H LYS A 17 24.547 7.027 24.370 1.00 0.00 H new ATOM 0 HA LYS A 17 25.418 7.980 27.027 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.893 5.309 25.693 1.00 0.00 H new ATOM 0 HB3 LYS A 17 27.109 5.977 26.763 1.00 0.00 H new ATOM 0 HG2 LYS A 17 25.547 6.019 28.625 1.00 0.00 H new ATOM 0 HG3 LYS A 17 24.212 5.577 27.581 1.00 0.00 H new ATOM 0 HD2 LYS A 17 24.738 3.507 28.485 1.00 0.00 H new ATOM 0 HD3 LYS A 17 25.698 3.466 27.019 1.00 0.00 H new ATOM 0 HE2 LYS A 17 26.866 4.535 29.603 1.00 0.00 H new ATOM 0 HE3 LYS A 17 26.822 2.811 29.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 28.793 3.243 28.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 27.850 3.693 26.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 28.444 4.881 28.045 1.00 0.00 H new ATOM 237 N ASP A 18 26.996 7.610 24.141 1.00 0.00 N ATOM 238 CA ASP A 18 28.050 8.171 23.304 1.00 0.00 C ATOM 239 C ASP A 18 27.540 9.378 22.523 1.00 0.00 C ATOM 240 O ASP A 18 26.345 9.675 22.533 1.00 0.00 O ATOM 241 CB ASP A 18 28.583 7.112 22.339 1.00 0.00 C ATOM 242 CG ASP A 18 29.611 6.204 22.985 1.00 0.00 C ATOM 243 OD1 ASP A 18 30.541 6.728 23.634 1.00 0.00 O ATOM 244 OD2 ASP A 18 29.486 4.970 22.841 1.00 0.00 O ATOM 0 H ASP A 18 26.473 6.849 23.707 1.00 0.00 H new ATOM 0 HA ASP A 18 28.860 8.498 23.955 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.752 6.510 21.970 1.00 0.00 H new ATOM 0 HB3 ASP A 18 29.029 7.604 21.475 1.00 0.00 H new ATOM 249 N GLN A 19 28.453 10.070 21.849 1.00 0.00 N ATOM 250 CA GLN A 19 28.094 11.246 21.065 1.00 0.00 C ATOM 251 C GLN A 19 26.950 10.932 20.106 1.00 0.00 C ATOM 252 O GLN A 19 26.148 11.805 19.774 1.00 0.00 O ATOM 253 CB GLN A 19 29.307 11.753 20.283 1.00 0.00 C ATOM 254 CG GLN A 19 29.292 13.254 20.044 1.00 0.00 C ATOM 255 CD GLN A 19 29.978 14.028 21.152 1.00 0.00 C ATOM 256 OE1 GLN A 19 29.357 14.378 22.156 1.00 0.00 O ATOM 257 NE2 GLN A 19 31.266 14.299 20.976 1.00 0.00 N ATOM 0 H GLN A 19 29.446 9.837 21.830 1.00 0.00 H new ATOM 0 HA GLN A 19 27.764 12.024 21.753 1.00 0.00 H new ATOM 0 HB2 GLN A 19 30.215 11.489 20.825 1.00 0.00 H new ATOM 0 HB3 GLN A 19 29.349 11.241 19.322 1.00 0.00 H new ATOM 0 HG2 GLN A 19 29.783 13.472 19.096 1.00 0.00 H new ATOM 0 HG3 GLN A 19 28.260 13.593 19.954 1.00 0.00 H new ATOM 0 HE21 GLN A 19 31.741 13.989 20.128 1.00 0.00 H new ATOM 0 HE22 GLN A 19 31.780 14.817 21.689 1.00 0.00 H new ATOM 266 N PHE A 20 26.882 9.681 19.664 1.00 0.00 N ATOM 267 CA PHE A 20 25.837 9.252 18.741 1.00 0.00 C ATOM 268 C PHE A 20 24.942 8.198 19.386 1.00 0.00 C ATOM 269 O PHE A 20 25.425 7.245 19.995 1.00 0.00 O ATOM 270 CB PHE A 20 26.457 8.695 17.458 1.00 0.00 C ATOM 271 CG PHE A 20 27.302 7.474 17.682 1.00 0.00 C ATOM 272 CD1 PHE A 20 28.643 7.593 18.009 1.00 0.00 C ATOM 273 CD2 PHE A 20 26.755 6.206 17.566 1.00 0.00 C ATOM 274 CE1 PHE A 20 29.423 6.471 18.214 1.00 0.00 C ATOM 275 CE2 PHE A 20 27.530 5.080 17.771 1.00 0.00 C ATOM 276 CZ PHE A 20 28.866 5.213 18.096 1.00 0.00 C ATOM 0 H PHE A 20 27.538 8.946 19.930 1.00 0.00 H new ATOM 0 HA PHE A 20 25.226 10.120 18.493 1.00 0.00 H new ATOM 0 HB2 PHE A 20 25.660 8.452 16.755 1.00 0.00 H new ATOM 0 HB3 PHE A 20 27.067 9.469 16.993 1.00 0.00 H new ATOM 0 HD1 PHE A 20 29.084 8.574 18.105 1.00 0.00 H new ATOM 0 HD2 PHE A 20 25.711 6.096 17.312 1.00 0.00 H new ATOM 0 HE1 PHE A 20 30.468 6.578 18.466 1.00 0.00 H new ATOM 0 HE2 PHE A 20 27.092 4.097 17.677 1.00 0.00 H new ATOM 0 HZ PHE A 20 29.474 4.335 18.257 1.00 0.00 H new ATOM 286 N GLY A 21 23.631 8.377 19.246 1.00 0.00 N ATOM 287 CA GLY A 21 22.688 7.435 19.820 1.00 0.00 C ATOM 288 C GLY A 21 21.652 6.968 18.817 1.00 0.00 C ATOM 289 O GLY A 21 21.690 7.355 17.649 1.00 0.00 O ATOM 0 H GLY A 21 23.206 9.157 18.745 1.00 0.00 H new ATOM 0 HA2 GLY A 21 23.231 6.572 20.206 1.00 0.00 H new ATOM 0 HA3 GLY A 21 22.185 7.900 20.668 1.00 0.00 H new ATOM 293 N PHE A 22 20.725 6.133 19.273 1.00 0.00 N ATOM 294 CA PHE A 22 19.675 5.610 18.406 1.00 0.00 C ATOM 295 C PHE A 22 18.315 5.683 19.095 1.00 0.00 C ATOM 296 O PHE A 22 18.226 5.642 20.322 1.00 0.00 O ATOM 297 CB PHE A 22 19.982 4.164 18.012 1.00 0.00 C ATOM 298 CG PHE A 22 21.334 3.989 17.381 1.00 0.00 C ATOM 299 CD1 PHE A 22 22.465 3.832 18.166 1.00 0.00 C ATOM 300 CD2 PHE A 22 21.474 3.981 16.003 1.00 0.00 C ATOM 301 CE1 PHE A 22 23.710 3.672 17.588 1.00 0.00 C ATOM 302 CE2 PHE A 22 22.716 3.821 15.419 1.00 0.00 C ATOM 303 CZ PHE A 22 23.835 3.665 16.213 1.00 0.00 C ATOM 0 H PHE A 22 20.679 5.804 20.237 1.00 0.00 H new ATOM 0 HA PHE A 22 19.641 6.225 17.507 1.00 0.00 H new ATOM 0 HB2 PHE A 22 19.919 3.533 18.899 1.00 0.00 H new ATOM 0 HB3 PHE A 22 19.218 3.815 17.318 1.00 0.00 H new ATOM 0 HD1 PHE A 22 22.372 3.835 19.242 1.00 0.00 H new ATOM 0 HD2 PHE A 22 20.602 4.101 15.377 1.00 0.00 H new ATOM 0 HE1 PHE A 22 24.584 3.553 18.211 1.00 0.00 H new ATOM 0 HE2 PHE A 22 22.811 3.818 14.343 1.00 0.00 H new ATOM 0 HZ PHE A 22 24.807 3.538 15.759 1.00 0.00 H new ATOM 313 N ILE A 23 17.259 5.793 18.295 1.00 0.00 N ATOM 314 CA ILE A 23 15.904 5.872 18.827 1.00 0.00 C ATOM 315 C ILE A 23 15.184 4.534 18.697 1.00 0.00 C ATOM 316 O ILE A 23 15.436 3.769 17.767 1.00 0.00 O ATOM 317 CB ILE A 23 15.080 6.957 18.109 1.00 0.00 C ATOM 318 CG1 ILE A 23 15.864 8.269 18.050 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.747 7.161 18.812 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.143 9.372 17.307 1.00 0.00 C ATOM 0 H ILE A 23 17.316 5.829 17.277 1.00 0.00 H new ATOM 0 HA ILE A 23 15.993 6.133 19.881 1.00 0.00 H new ATOM 0 HB ILE A 23 14.884 6.627 17.089 1.00 0.00 H new ATOM 0 HG12 ILE A 23 16.074 8.603 19.066 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.825 8.087 17.570 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.176 7.931 18.293 1.00 0.00 H new ATOM 0 HG22 ILE A 23 13.186 6.227 18.806 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.923 7.472 19.842 1.00 0.00 H new ATOM 0 HD11 ILE A 23 15.758 10.272 17.305 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.957 9.058 16.280 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.194 9.582 17.800 1.00 0.00 H new ATOM 332 N ASN A 24 14.286 4.258 19.637 1.00 0.00 N ATOM 333 CA ASN A 24 13.528 3.012 19.628 1.00 0.00 C ATOM 334 C ASN A 24 12.309 3.124 18.717 1.00 0.00 C ATOM 335 O ASN A 24 11.174 2.939 19.157 1.00 0.00 O ATOM 336 CB ASN A 24 13.087 2.649 21.047 1.00 0.00 C ATOM 337 CG ASN A 24 12.955 1.151 21.246 1.00 0.00 C ATOM 338 OD1 ASN A 24 12.278 0.469 20.477 1.00 0.00 O ATOM 339 ND2 ASN A 24 13.604 0.633 22.283 1.00 0.00 N ATOM 0 H ASN A 24 14.065 4.880 20.415 1.00 0.00 H new ATOM 0 HA ASN A 24 14.176 2.224 19.244 1.00 0.00 H new ATOM 0 HB2 ASN A 24 13.808 3.046 21.761 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.131 3.127 21.261 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.553 -0.369 22.468 1.00 0.00 H new ATOM 0 HD22 ASN A 24 14.153 1.237 22.894 1.00 0.00 H new ATOM 346 N TYR A 25 12.552 3.427 17.447 1.00 0.00 N ATOM 347 CA TYR A 25 11.475 3.565 16.475 1.00 0.00 C ATOM 348 C TYR A 25 11.796 2.801 15.194 1.00 0.00 C ATOM 349 O TYR A 25 12.961 2.598 14.855 1.00 0.00 O ATOM 350 CB TYR A 25 11.235 5.042 16.154 1.00 0.00 C ATOM 351 CG TYR A 25 9.971 5.292 15.363 1.00 0.00 C ATOM 352 CD1 TYR A 25 8.739 4.845 15.824 1.00 0.00 C ATOM 353 CD2 TYR A 25 10.009 5.974 14.153 1.00 0.00 C ATOM 354 CE1 TYR A 25 7.582 5.071 15.104 1.00 0.00 C ATOM 355 CE2 TYR A 25 8.857 6.206 13.427 1.00 0.00 C ATOM 356 CZ TYR A 25 7.646 5.752 13.906 1.00 0.00 C ATOM 357 OH TYR A 25 6.496 5.979 13.185 1.00 0.00 O ATOM 0 H TYR A 25 13.486 3.582 17.067 1.00 0.00 H new ATOM 0 HA TYR A 25 10.570 3.143 16.912 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.187 5.605 17.086 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.087 5.426 15.593 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.685 4.312 16.762 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.956 6.329 13.774 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.632 4.716 15.477 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.904 6.740 12.489 1.00 0.00 H new ATOM 0 HH TYR A 25 6.715 6.472 12.367 1.00 0.00 H new ATOM 367 N GLU A 26 10.752 2.380 14.487 1.00 0.00 N ATOM 368 CA GLU A 26 10.922 1.637 13.243 1.00 0.00 C ATOM 369 C GLU A 26 10.322 2.402 12.067 1.00 0.00 C ATOM 370 O GLU A 26 9.133 2.719 12.059 1.00 0.00 O ATOM 371 CB GLU A 26 10.270 0.257 13.354 1.00 0.00 C ATOM 372 CG GLU A 26 10.307 -0.539 12.060 1.00 0.00 C ATOM 373 CD GLU A 26 9.932 -1.994 12.260 1.00 0.00 C ATOM 374 OE1 GLU A 26 8.877 -2.255 12.874 1.00 0.00 O ATOM 375 OE2 GLU A 26 10.693 -2.872 11.802 1.00 0.00 O ATOM 0 H GLU A 26 9.781 2.540 14.754 1.00 0.00 H new ATOM 0 HA GLU A 26 11.990 1.513 13.067 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.774 -0.312 14.135 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.233 0.378 13.667 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.624 -0.087 11.340 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.307 -0.481 11.631 1.00 0.00 H new ATOM 382 N VAL A 27 11.155 2.696 11.073 1.00 0.00 N ATOM 383 CA VAL A 27 10.709 3.423 9.891 1.00 0.00 C ATOM 384 C VAL A 27 11.020 2.645 8.617 1.00 0.00 C ATOM 385 O VAL A 27 10.246 2.663 7.661 1.00 0.00 O ATOM 386 CB VAL A 27 11.368 4.813 9.804 1.00 0.00 C ATOM 387 CG1 VAL A 27 10.907 5.695 10.955 1.00 0.00 C ATOM 388 CG2 VAL A 27 12.883 4.684 9.795 1.00 0.00 C ATOM 0 H VAL A 27 12.143 2.441 11.063 1.00 0.00 H new ATOM 0 HA VAL A 27 9.630 3.546 9.984 1.00 0.00 H new ATOM 0 HB VAL A 27 11.061 5.284 8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.383 6.673 10.877 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.824 5.814 10.911 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.183 5.231 11.902 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.332 5.675 9.733 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.212 4.193 10.711 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.193 4.091 8.934 1.00 0.00 H new ATOM 398 N GLY A 28 12.160 1.961 8.612 1.00 0.00 N ATOM 399 CA GLY A 28 12.554 1.185 7.450 1.00 0.00 C ATOM 400 C GLY A 28 12.941 -0.236 7.807 1.00 0.00 C ATOM 401 O GLY A 28 12.251 -0.899 8.581 1.00 0.00 O ATOM 0 H GLY A 28 12.818 1.930 9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.732 1.166 6.734 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.394 1.675 6.958 1.00 0.00 H new ATOM 405 N ASP A 29 14.047 -0.707 7.240 1.00 0.00 N ATOM 406 CA ASP A 29 14.524 -2.059 7.502 1.00 0.00 C ATOM 407 C ASP A 29 14.710 -2.290 8.998 1.00 0.00 C ATOM 408 O ASP A 29 13.967 -3.052 9.616 1.00 0.00 O ATOM 409 CB ASP A 29 15.842 -2.309 6.767 1.00 0.00 C ATOM 410 CG ASP A 29 16.234 -3.774 6.762 1.00 0.00 C ATOM 411 OD1 ASP A 29 15.742 -4.522 7.632 1.00 0.00 O ATOM 412 OD2 ASP A 29 17.033 -4.171 5.888 1.00 0.00 O ATOM 0 H ASP A 29 14.629 -0.172 6.596 1.00 0.00 H new ATOM 0 HA ASP A 29 13.774 -2.760 7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.754 -1.956 5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.633 -1.726 7.238 1.00 0.00 H new ATOM 417 N SER A 30 15.708 -1.627 9.574 1.00 0.00 N ATOM 418 CA SER A 30 15.995 -1.764 10.997 1.00 0.00 C ATOM 419 C SER A 30 14.814 -1.288 11.838 1.00 0.00 C ATOM 420 O SER A 30 13.910 -0.620 11.337 1.00 0.00 O ATOM 421 CB SER A 30 17.250 -0.970 11.365 1.00 0.00 C ATOM 422 OG SER A 30 17.155 0.371 10.915 1.00 0.00 O ATOM 0 H SER A 30 16.331 -0.990 9.077 1.00 0.00 H new ATOM 0 HA SER A 30 16.167 -2.820 11.207 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.390 -0.985 12.446 1.00 0.00 H new ATOM 0 HB3 SER A 30 18.127 -1.444 10.923 1.00 0.00 H new ATOM 0 HG SER A 30 17.968 0.858 11.164 1.00 0.00 H new ATOM 428 N LYS A 31 14.830 -1.637 13.120 1.00 0.00 N ATOM 429 CA LYS A 31 13.763 -1.246 14.033 1.00 0.00 C ATOM 430 C LYS A 31 14.221 -0.121 14.956 1.00 0.00 C ATOM 431 O LYS A 31 13.684 0.057 16.049 1.00 0.00 O ATOM 432 CB LYS A 31 13.308 -2.448 14.864 1.00 0.00 C ATOM 433 CG LYS A 31 11.826 -2.432 15.197 1.00 0.00 C ATOM 434 CD LYS A 31 11.471 -3.507 16.210 1.00 0.00 C ATOM 435 CE LYS A 31 11.787 -3.062 17.630 1.00 0.00 C ATOM 436 NZ LYS A 31 11.345 -4.066 18.637 1.00 0.00 N ATOM 0 H LYS A 31 15.571 -2.190 13.550 1.00 0.00 H new ATOM 0 HA LYS A 31 12.924 -0.885 13.438 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.540 -3.364 14.320 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.880 -2.475 15.792 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.551 -1.454 15.592 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.246 -2.583 14.287 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.411 -3.747 16.130 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.023 -4.419 15.982 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.860 -2.897 17.729 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.298 -2.108 17.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.578 -3.726 19.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.317 -4.205 18.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.831 -4.969 18.463 1.00 0.00 H new ATOM 450 N LYS A 32 15.216 0.637 14.508 1.00 0.00 N ATOM 451 CA LYS A 32 15.745 1.747 15.291 1.00 0.00 C ATOM 452 C LYS A 32 16.126 2.917 14.389 1.00 0.00 C ATOM 453 O LYS A 32 16.259 2.760 13.175 1.00 0.00 O ATOM 454 CB LYS A 32 16.964 1.293 16.098 1.00 0.00 C ATOM 455 CG LYS A 32 16.730 0.017 16.887 1.00 0.00 C ATOM 456 CD LYS A 32 17.079 -1.216 16.071 1.00 0.00 C ATOM 457 CE LYS A 32 17.541 -2.360 16.960 1.00 0.00 C ATOM 458 NZ LYS A 32 16.408 -2.979 17.702 1.00 0.00 N ATOM 0 H LYS A 32 15.673 0.503 13.606 1.00 0.00 H new ATOM 0 HA LYS A 32 14.966 2.079 15.977 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.803 1.142 15.419 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.250 2.088 16.786 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.331 0.035 17.796 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.686 -0.034 17.196 1.00 0.00 H new ATOM 0 HD2 LYS A 32 16.209 -1.530 15.494 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.864 -0.970 15.356 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.033 -3.118 16.350 1.00 0.00 H new ATOM 0 HE3 LYS A 32 18.282 -1.992 17.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.765 -3.754 18.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.954 -2.262 18.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.713 -3.353 17.025 1.00 0.00 H new ATOM 472 N LEU A 33 16.301 4.088 14.990 1.00 0.00 N ATOM 473 CA LEU A 33 16.669 5.285 14.241 1.00 0.00 C ATOM 474 C LEU A 33 18.065 5.762 14.627 1.00 0.00 C ATOM 475 O LEU A 33 18.611 5.353 15.652 1.00 0.00 O ATOM 476 CB LEU A 33 15.650 6.399 14.490 1.00 0.00 C ATOM 477 CG LEU A 33 15.543 7.466 13.400 1.00 0.00 C ATOM 478 CD1 LEU A 33 15.162 6.834 12.070 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.532 8.533 13.795 1.00 0.00 C ATOM 0 H LEU A 33 16.194 4.235 15.994 1.00 0.00 H new ATOM 0 HA LEU A 33 16.672 5.033 13.180 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.669 5.944 14.622 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.902 6.891 15.429 1.00 0.00 H new ATOM 0 HG LEU A 33 16.517 7.942 13.287 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.090 7.608 11.306 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.922 6.108 11.781 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.200 6.332 12.168 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.469 9.284 13.007 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.554 8.073 13.937 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.848 9.007 14.724 1.00 0.00 H new ATOM 491 N PHE A 34 18.638 6.630 13.800 1.00 0.00 N ATOM 492 CA PHE A 34 19.971 7.164 14.055 1.00 0.00 C ATOM 493 C PHE A 34 19.939 8.687 14.146 1.00 0.00 C ATOM 494 O PHE A 34 19.356 9.359 13.295 1.00 0.00 O ATOM 495 CB PHE A 34 20.937 6.728 12.952 1.00 0.00 C ATOM 496 CG PHE A 34 22.295 7.363 13.059 1.00 0.00 C ATOM 497 CD1 PHE A 34 23.109 7.108 14.150 1.00 0.00 C ATOM 498 CD2 PHE A 34 22.755 8.215 12.068 1.00 0.00 C ATOM 499 CE1 PHE A 34 24.359 7.690 14.251 1.00 0.00 C ATOM 500 CE2 PHE A 34 24.004 8.800 12.164 1.00 0.00 C ATOM 501 CZ PHE A 34 24.806 8.538 13.257 1.00 0.00 C ATOM 0 H PHE A 34 18.200 6.979 12.947 1.00 0.00 H new ATOM 0 HA PHE A 34 20.317 6.768 15.010 1.00 0.00 H new ATOM 0 HB2 PHE A 34 21.048 5.644 12.985 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.504 6.975 11.983 1.00 0.00 H new ATOM 0 HD1 PHE A 34 22.763 6.447 14.931 1.00 0.00 H new ATOM 0 HD2 PHE A 34 22.131 8.424 11.211 1.00 0.00 H new ATOM 0 HE1 PHE A 34 24.985 7.482 15.106 1.00 0.00 H new ATOM 0 HE2 PHE A 34 24.352 9.462 11.385 1.00 0.00 H new ATOM 0 HZ PHE A 34 25.781 8.996 13.334 1.00 0.00 H new ATOM 511 N PHE A 35 20.569 9.225 15.185 1.00 0.00 N ATOM 512 CA PHE A 35 20.612 10.668 15.390 1.00 0.00 C ATOM 513 C PHE A 35 21.848 11.067 16.190 1.00 0.00 C ATOM 514 O PHE A 35 22.260 10.361 17.111 1.00 0.00 O ATOM 515 CB PHE A 35 19.348 11.139 16.113 1.00 0.00 C ATOM 516 CG PHE A 35 19.314 10.763 17.567 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.027 9.464 17.953 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.568 11.709 18.547 1.00 0.00 C ATOM 519 CE1 PHE A 35 18.995 9.115 19.290 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.538 11.366 19.885 1.00 0.00 C ATOM 521 CZ PHE A 35 19.250 10.067 20.257 1.00 0.00 C ATOM 0 H PHE A 35 21.057 8.683 15.898 1.00 0.00 H new ATOM 0 HA PHE A 35 20.664 11.148 14.413 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.271 12.223 16.024 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.475 10.715 15.616 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.826 8.716 17.201 1.00 0.00 H new ATOM 0 HD2 PHE A 35 19.792 12.726 18.262 1.00 0.00 H new ATOM 0 HE1 PHE A 35 18.771 8.099 19.578 1.00 0.00 H new ATOM 0 HE2 PHE A 35 19.739 12.112 20.639 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.224 9.797 21.302 1.00 0.00 H new ATOM 531 N HIS A 36 22.436 12.204 15.831 1.00 0.00 N ATOM 532 CA HIS A 36 23.626 12.698 16.515 1.00 0.00 C ATOM 533 C HIS A 36 23.265 13.801 17.505 1.00 0.00 C ATOM 534 O HIS A 36 22.175 14.371 17.445 1.00 0.00 O ATOM 535 CB HIS A 36 24.643 13.221 15.500 1.00 0.00 C ATOM 536 CG HIS A 36 26.020 13.391 16.064 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.638 14.618 16.185 1.00 0.00 N ATOM 538 CD2 HIS A 36 26.898 12.480 16.545 1.00 0.00 C ATOM 539 CE1 HIS A 36 27.838 14.454 16.713 1.00 0.00 C ATOM 540 NE2 HIS A 36 28.020 13.166 16.941 1.00 0.00 N ATOM 0 H HIS A 36 22.108 12.800 15.071 1.00 0.00 H new ATOM 0 HA HIS A 36 24.068 11.869 17.067 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.688 12.533 14.656 1.00 0.00 H new ATOM 0 HB3 HIS A 36 24.297 14.179 15.113 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.745 11.413 16.606 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.549 15.240 16.922 1.00 0.00 H new ATOM 0 HE2 HIS A 36 28.858 12.748 17.346 1.00 0.00 H new ATOM 548 N VAL A 37 24.186 14.097 18.416 1.00 0.00 N ATOM 549 CA VAL A 37 23.965 15.131 19.420 1.00 0.00 C ATOM 550 C VAL A 37 23.633 16.468 18.767 1.00 0.00 C ATOM 551 O VAL A 37 22.981 17.321 19.369 1.00 0.00 O ATOM 552 CB VAL A 37 25.198 15.307 20.326 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.315 14.145 21.300 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.460 15.440 19.487 1.00 0.00 C ATOM 0 H VAL A 37 25.093 13.635 18.480 1.00 0.00 H new ATOM 0 HA VAL A 37 23.120 14.807 20.028 1.00 0.00 H new ATOM 0 HB VAL A 37 25.075 16.223 20.904 1.00 0.00 H new ATOM 0 HG11 VAL A 37 26.192 14.287 21.932 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.422 14.101 21.923 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.415 13.213 20.744 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.322 15.564 20.143 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.591 14.543 18.882 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.373 16.309 18.834 1.00 0.00 H new ATOM 564 N LYS A 38 24.085 16.644 17.530 1.00 0.00 N ATOM 565 CA LYS A 38 23.835 17.877 16.792 1.00 0.00 C ATOM 566 C LYS A 38 22.351 18.027 16.471 1.00 0.00 C ATOM 567 O LYS A 38 21.832 19.141 16.403 1.00 0.00 O ATOM 568 CB LYS A 38 24.652 17.895 15.498 1.00 0.00 C ATOM 569 CG LYS A 38 24.111 16.968 14.423 1.00 0.00 C ATOM 570 CD LYS A 38 25.218 16.462 13.514 1.00 0.00 C ATOM 571 CE LYS A 38 24.703 16.185 12.110 1.00 0.00 C ATOM 572 NZ LYS A 38 25.815 16.054 11.127 1.00 0.00 N ATOM 0 H LYS A 38 24.627 15.948 17.017 1.00 0.00 H new ATOM 0 HA LYS A 38 24.140 18.715 17.419 1.00 0.00 H new ATOM 0 HB2 LYS A 38 24.678 18.913 15.109 1.00 0.00 H new ATOM 0 HB3 LYS A 38 25.681 17.614 15.724 1.00 0.00 H new ATOM 0 HG2 LYS A 38 23.608 16.122 14.891 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.364 17.495 13.829 1.00 0.00 H new ATOM 0 HD2 LYS A 38 26.020 17.199 13.470 1.00 0.00 H new ATOM 0 HD3 LYS A 38 25.646 15.551 13.932 1.00 0.00 H new ATOM 0 HE2 LYS A 38 24.112 15.269 12.114 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.038 16.992 11.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 25.423 15.866 10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 26.364 16.937 11.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 26.435 15.268 11.407 1.00 0.00 H new ATOM 586 N GLU A 39 21.675 16.899 16.276 1.00 0.00 N ATOM 587 CA GLU A 39 20.251 16.908 15.963 1.00 0.00 C ATOM 588 C GLU A 39 19.462 17.650 17.038 1.00 0.00 C ATOM 589 O GLU A 39 18.884 18.706 16.782 1.00 0.00 O ATOM 590 CB GLU A 39 19.727 15.476 15.827 1.00 0.00 C ATOM 591 CG GLU A 39 20.437 14.668 14.753 1.00 0.00 C ATOM 592 CD GLU A 39 20.322 15.297 13.378 1.00 0.00 C ATOM 593 OE1 GLU A 39 19.453 16.177 13.200 1.00 0.00 O ATOM 594 OE2 GLU A 39 21.100 14.911 12.482 1.00 0.00 O ATOM 0 H GLU A 39 22.090 15.969 16.329 1.00 0.00 H new ATOM 0 HA GLU A 39 20.117 17.428 15.015 1.00 0.00 H new ATOM 0 HB2 GLU A 39 19.835 14.966 16.784 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.661 15.508 15.601 1.00 0.00 H new ATOM 0 HG2 GLU A 39 21.490 14.568 15.016 1.00 0.00 H new ATOM 0 HG3 GLU A 39 20.019 13.662 14.724 1.00 0.00 H new ATOM 601 N VAL A 40 19.442 17.088 18.242 1.00 0.00 N ATOM 602 CA VAL A 40 18.725 17.695 19.357 1.00 0.00 C ATOM 603 C VAL A 40 19.122 19.156 19.535 1.00 0.00 C ATOM 604 O VAL A 40 20.306 19.483 19.605 1.00 0.00 O ATOM 605 CB VAL A 40 18.989 16.939 20.673 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.482 16.865 20.956 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.251 17.603 21.826 1.00 0.00 C ATOM 0 H VAL A 40 19.914 16.213 18.470 1.00 0.00 H new ATOM 0 HA VAL A 40 17.663 17.636 19.120 1.00 0.00 H new ATOM 0 HB VAL A 40 18.613 15.921 20.569 1.00 0.00 H new ATOM 0 HG11 VAL A 40 20.649 16.328 21.889 1.00 0.00 H new ATOM 0 HG12 VAL A 40 20.981 16.341 20.141 1.00 0.00 H new ATOM 0 HG13 VAL A 40 20.887 17.874 21.041 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.449 17.056 22.748 1.00 0.00 H new ATOM 0 HG22 VAL A 40 18.595 18.632 21.934 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.180 17.598 21.624 1.00 0.00 H new ATOM 617 N GLN A 41 18.123 20.030 19.608 1.00 0.00 N ATOM 618 CA GLN A 41 18.369 21.458 19.778 1.00 0.00 C ATOM 619 C GLN A 41 17.837 21.945 21.122 1.00 0.00 C ATOM 620 O GLN A 41 17.412 21.148 21.959 1.00 0.00 O ATOM 621 CB GLN A 41 17.718 22.247 18.641 1.00 0.00 C ATOM 622 CG GLN A 41 17.959 21.645 17.267 1.00 0.00 C ATOM 623 CD GLN A 41 19.416 21.700 16.853 1.00 0.00 C ATOM 624 OE1 GLN A 41 20.264 22.203 17.591 1.00 0.00 O ATOM 625 NE2 GLN A 41 19.716 21.179 15.669 1.00 0.00 N ATOM 0 H GLN A 41 17.137 19.775 19.552 1.00 0.00 H new ATOM 0 HA GLN A 41 19.446 21.622 19.754 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.644 22.306 18.819 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.100 23.268 18.653 1.00 0.00 H new ATOM 0 HG2 GLN A 41 17.624 20.608 17.265 1.00 0.00 H new ATOM 0 HG3 GLN A 41 17.356 22.176 16.531 1.00 0.00 H new ATOM 0 HE21 GLN A 41 18.981 20.772 15.090 1.00 0.00 H new ATOM 0 HE22 GLN A 41 20.681 21.185 15.339 1.00 0.00 H new ATOM 634 N ASP A 42 17.864 23.258 21.322 1.00 0.00 N ATOM 635 CA ASP A 42 17.384 23.853 22.564 1.00 0.00 C ATOM 636 C ASP A 42 18.198 23.355 23.754 1.00 0.00 C ATOM 637 O ASP A 42 17.721 23.355 24.889 1.00 0.00 O ATOM 638 CB ASP A 42 15.904 23.528 22.771 1.00 0.00 C ATOM 639 CG ASP A 42 15.170 24.624 23.519 1.00 0.00 C ATOM 640 OD1 ASP A 42 14.827 25.646 22.888 1.00 0.00 O ATOM 641 OD2 ASP A 42 14.938 24.459 24.734 1.00 0.00 O ATOM 0 H ASP A 42 18.213 23.931 20.640 1.00 0.00 H new ATOM 0 HA ASP A 42 17.504 24.934 22.491 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.430 23.373 21.802 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.814 22.592 23.323 1.00 0.00 H new ATOM 646 N GLY A 43 19.429 22.931 23.487 1.00 0.00 N ATOM 647 CA GLY A 43 20.289 22.435 24.546 1.00 0.00 C ATOM 648 C GLY A 43 19.621 21.361 25.381 1.00 0.00 C ATOM 649 O GLY A 43 19.608 21.439 26.610 1.00 0.00 O ATOM 0 H GLY A 43 19.846 22.922 22.556 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.204 22.035 24.109 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.580 23.264 25.191 1.00 0.00 H new ATOM 653 N ILE A 44 19.063 20.357 24.714 1.00 0.00 N ATOM 654 CA ILE A 44 18.389 19.263 25.403 1.00 0.00 C ATOM 655 C ILE A 44 19.169 17.960 25.259 1.00 0.00 C ATOM 656 O ILE A 44 19.836 17.733 24.251 1.00 0.00 O ATOM 657 CB ILE A 44 16.961 19.055 24.866 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.216 20.390 24.806 1.00 0.00 C ATOM 659 CG2 ILE A 44 16.207 18.061 25.737 1.00 0.00 C ATOM 660 CD1 ILE A 44 16.011 21.030 26.161 1.00 0.00 C ATOM 0 H ILE A 44 19.064 20.278 23.697 1.00 0.00 H new ATOM 0 HA ILE A 44 18.336 19.538 26.456 1.00 0.00 H new ATOM 0 HB ILE A 44 17.024 18.649 23.856 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.771 21.078 24.169 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.245 20.234 24.336 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.199 17.925 25.345 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.730 17.105 25.734 1.00 0.00 H new ATOM 0 HG23 ILE A 44 16.151 18.441 26.757 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.477 21.972 26.041 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.429 20.361 26.795 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.979 21.218 26.625 1.00 0.00 H new ATOM 672 N GLU A 45 19.077 17.107 26.275 1.00 0.00 N ATOM 673 CA GLU A 45 19.773 15.826 26.261 1.00 0.00 C ATOM 674 C GLU A 45 18.782 14.668 26.334 1.00 0.00 C ATOM 675 O GLU A 45 18.031 14.538 27.301 1.00 0.00 O ATOM 676 CB GLU A 45 20.758 15.743 27.429 1.00 0.00 C ATOM 677 CG GLU A 45 21.612 14.487 27.417 1.00 0.00 C ATOM 678 CD GLU A 45 22.844 14.628 26.543 1.00 0.00 C ATOM 679 OE1 GLU A 45 22.991 15.684 25.892 1.00 0.00 O ATOM 680 OE2 GLU A 45 23.659 13.683 26.509 1.00 0.00 O ATOM 0 H GLU A 45 18.528 17.280 27.117 1.00 0.00 H new ATOM 0 HA GLU A 45 20.325 15.751 25.324 1.00 0.00 H new ATOM 0 HB2 GLU A 45 21.410 16.616 27.406 1.00 0.00 H new ATOM 0 HB3 GLU A 45 20.202 15.785 28.366 1.00 0.00 H new ATOM 0 HG2 GLU A 45 21.919 14.251 28.436 1.00 0.00 H new ATOM 0 HG3 GLU A 45 21.013 13.648 27.062 1.00 0.00 H new ATOM 687 N LEU A 46 18.786 13.829 25.304 1.00 0.00 N ATOM 688 CA LEU A 46 17.888 12.681 25.249 1.00 0.00 C ATOM 689 C LEU A 46 18.515 11.466 25.925 1.00 0.00 C ATOM 690 O LEU A 46 19.717 11.231 25.808 1.00 0.00 O ATOM 691 CB LEU A 46 17.541 12.348 23.797 1.00 0.00 C ATOM 692 CG LEU A 46 17.340 13.543 22.864 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.183 13.077 21.425 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.131 14.360 23.297 1.00 0.00 C ATOM 0 H LEU A 46 19.401 13.922 24.496 1.00 0.00 H new ATOM 0 HA LEU A 46 16.974 12.941 25.784 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.335 11.723 23.389 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.630 11.750 23.790 1.00 0.00 H new ATOM 0 HG LEU A 46 18.224 14.179 22.924 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.041 13.941 20.776 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.078 12.536 21.118 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.317 12.419 21.348 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.003 15.206 22.622 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.239 13.734 23.267 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.284 14.726 24.312 1.00 0.00 H new ATOM 706 N GLN A 47 17.692 10.696 26.629 1.00 0.00 N ATOM 707 CA GLN A 47 18.166 9.504 27.323 1.00 0.00 C ATOM 708 C GLN A 47 17.224 8.328 27.091 1.00 0.00 C ATOM 709 O GLN A 47 16.204 8.461 26.414 1.00 0.00 O ATOM 710 CB GLN A 47 18.299 9.779 28.821 1.00 0.00 C ATOM 711 CG GLN A 47 19.316 10.859 29.154 1.00 0.00 C ATOM 712 CD GLN A 47 19.553 10.998 30.645 1.00 0.00 C ATOM 713 OE1 GLN A 47 20.694 11.011 31.106 1.00 0.00 O ATOM 714 NE2 GLN A 47 18.471 11.104 31.409 1.00 0.00 N ATOM 0 H GLN A 47 16.694 10.876 26.734 1.00 0.00 H new ATOM 0 HA GLN A 47 19.145 9.246 26.920 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.327 10.073 29.216 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.582 8.856 29.327 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.260 10.629 28.660 1.00 0.00 H new ATOM 0 HG3 GLN A 47 18.971 11.813 28.754 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.544 11.089 30.985 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.568 11.201 32.420 1.00 0.00 H new ATOM 723 N ALA A 48 17.571 7.177 27.656 1.00 0.00 N ATOM 724 CA ALA A 48 16.755 5.978 27.513 1.00 0.00 C ATOM 725 C ALA A 48 15.376 6.175 28.131 1.00 0.00 C ATOM 726 O ALA A 48 15.231 6.213 29.352 1.00 0.00 O ATOM 727 CB ALA A 48 17.454 4.784 28.147 1.00 0.00 C ATOM 0 H ALA A 48 18.413 7.049 28.218 1.00 0.00 H new ATOM 0 HA ALA A 48 16.623 5.784 26.449 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.833 3.896 28.032 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.414 4.621 27.656 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.617 4.979 29.207 1.00 0.00 H new ATOM 733 N GLY A 49 14.363 6.302 27.279 1.00 0.00 N ATOM 734 CA GLY A 49 13.008 6.495 27.761 1.00 0.00 C ATOM 735 C GLY A 49 12.519 7.916 27.563 1.00 0.00 C ATOM 736 O GLY A 49 11.524 8.327 28.161 1.00 0.00 O ATOM 0 H GLY A 49 14.457 6.275 26.264 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.340 5.808 27.241 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.963 6.243 28.821 1.00 0.00 H new ATOM 740 N ASP A 50 13.219 8.669 26.722 1.00 0.00 N ATOM 741 CA ASP A 50 12.851 10.053 26.446 1.00 0.00 C ATOM 742 C ASP A 50 12.111 10.164 25.117 1.00 0.00 C ATOM 743 O ASP A 50 12.690 9.943 24.054 1.00 0.00 O ATOM 744 CB ASP A 50 14.097 10.940 26.427 1.00 0.00 C ATOM 745 CG ASP A 50 14.598 11.266 27.820 1.00 0.00 C ATOM 746 OD1 ASP A 50 14.360 10.456 28.740 1.00 0.00 O ATOM 747 OD2 ASP A 50 15.227 12.331 27.990 1.00 0.00 O ATOM 0 H ASP A 50 14.045 8.344 26.219 1.00 0.00 H new ATOM 0 HA ASP A 50 12.186 10.392 27.240 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.887 10.439 25.868 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.872 11.867 25.899 1.00 0.00 H new ATOM 752 N GLU A 51 10.829 10.507 25.186 1.00 0.00 N ATOM 753 CA GLU A 51 10.010 10.646 23.988 1.00 0.00 C ATOM 754 C GLU A 51 10.201 12.021 23.354 1.00 0.00 C ATOM 755 O GLU A 51 9.947 13.048 23.984 1.00 0.00 O ATOM 756 CB GLU A 51 8.533 10.428 24.324 1.00 0.00 C ATOM 757 CG GLU A 51 7.712 9.913 23.154 1.00 0.00 C ATOM 758 CD GLU A 51 6.243 9.755 23.497 1.00 0.00 C ATOM 759 OE1 GLU A 51 5.581 10.780 23.761 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.757 8.604 23.500 1.00 0.00 O ATOM 0 H GLU A 51 10.335 10.694 26.059 1.00 0.00 H new ATOM 0 HA GLU A 51 10.328 9.888 23.272 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.458 9.720 25.149 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.105 11.369 24.671 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.813 10.600 22.314 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.111 8.952 22.830 1.00 0.00 H new ATOM 767 N VAL A 52 10.650 12.032 22.103 1.00 0.00 N ATOM 768 CA VAL A 52 10.875 13.280 21.383 1.00 0.00 C ATOM 769 C VAL A 52 10.128 13.289 20.054 1.00 0.00 C ATOM 770 O VAL A 52 9.687 12.247 19.572 1.00 0.00 O ATOM 771 CB VAL A 52 12.374 13.513 21.119 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.141 13.594 22.430 1.00 0.00 C ATOM 773 CG2 VAL A 52 12.935 12.414 20.230 1.00 0.00 C ATOM 0 H VAL A 52 10.865 11.191 21.567 1.00 0.00 H new ATOM 0 HA VAL A 52 10.496 14.083 22.015 1.00 0.00 H new ATOM 0 HB VAL A 52 12.490 14.464 20.599 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.198 13.759 22.223 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.755 14.420 23.027 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.020 12.661 22.981 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.995 12.594 20.054 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.808 11.449 20.720 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.404 12.410 19.278 1.00 0.00 H new ATOM 783 N GLU A 53 9.991 14.474 19.467 1.00 0.00 N ATOM 784 CA GLU A 53 9.297 14.619 18.193 1.00 0.00 C ATOM 785 C GLU A 53 10.253 15.099 17.104 1.00 0.00 C ATOM 786 O GLU A 53 10.813 16.192 17.192 1.00 0.00 O ATOM 787 CB GLU A 53 8.130 15.598 18.331 1.00 0.00 C ATOM 788 CG GLU A 53 7.322 15.766 17.055 1.00 0.00 C ATOM 789 CD GLU A 53 6.704 17.146 16.932 1.00 0.00 C ATOM 790 OE1 GLU A 53 7.378 18.131 17.299 1.00 0.00 O ATOM 791 OE2 GLU A 53 5.548 17.240 16.471 1.00 0.00 O ATOM 0 H GLU A 53 10.351 15.347 19.853 1.00 0.00 H new ATOM 0 HA GLU A 53 8.909 13.641 17.906 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.469 15.253 19.126 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.517 16.570 18.637 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.966 15.583 16.195 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.533 15.015 17.028 1.00 0.00 H new ATOM 798 N PHE A 54 10.434 14.275 16.078 1.00 0.00 N ATOM 799 CA PHE A 54 11.323 14.614 14.973 1.00 0.00 C ATOM 800 C PHE A 54 10.622 14.417 13.632 1.00 0.00 C ATOM 801 O PHE A 54 9.602 13.733 13.546 1.00 0.00 O ATOM 802 CB PHE A 54 12.590 13.758 15.029 1.00 0.00 C ATOM 803 CG PHE A 54 12.315 12.284 15.122 1.00 0.00 C ATOM 804 CD1 PHE A 54 11.996 11.553 13.990 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.375 11.631 16.343 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.743 10.196 14.072 1.00 0.00 C ATOM 807 CE2 PHE A 54 12.123 10.275 16.431 1.00 0.00 C ATOM 808 CZ PHE A 54 11.805 9.557 15.295 1.00 0.00 C ATOM 0 H PHE A 54 9.977 13.368 15.988 1.00 0.00 H new ATOM 0 HA PHE A 54 11.598 15.664 15.069 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.189 13.952 14.140 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.187 14.063 15.888 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.944 12.049 13.032 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.621 12.188 17.235 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.497 9.637 13.181 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.175 9.777 17.388 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.605 8.498 15.363 1.00 0.00 H new ATOM 818 N SER A 55 11.176 15.024 12.587 1.00 0.00 N ATOM 819 CA SER A 55 10.603 14.920 11.250 1.00 0.00 C ATOM 820 C SER A 55 11.439 13.995 10.371 1.00 0.00 C ATOM 821 O SER A 55 12.635 14.213 10.181 1.00 0.00 O ATOM 822 CB SER A 55 10.505 16.304 10.606 1.00 0.00 C ATOM 823 OG SER A 55 10.237 17.301 11.576 1.00 0.00 O ATOM 0 H SER A 55 12.021 15.593 12.641 1.00 0.00 H new ATOM 0 HA SER A 55 9.602 14.498 11.342 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.437 16.535 10.091 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.716 16.303 9.854 1.00 0.00 H new ATOM 0 HG SER A 55 10.181 18.176 11.139 1.00 0.00 H new ATOM 829 N VAL A 56 10.799 12.960 9.836 1.00 0.00 N ATOM 830 CA VAL A 56 11.481 12.001 8.975 1.00 0.00 C ATOM 831 C VAL A 56 11.877 12.638 7.648 1.00 0.00 C ATOM 832 O VAL A 56 11.020 13.039 6.860 1.00 0.00 O ATOM 833 CB VAL A 56 10.599 10.769 8.698 1.00 0.00 C ATOM 834 CG1 VAL A 56 11.329 9.780 7.803 1.00 0.00 C ATOM 835 CG2 VAL A 56 10.179 10.110 10.003 1.00 0.00 C ATOM 0 H VAL A 56 9.809 12.764 9.984 1.00 0.00 H new ATOM 0 HA VAL A 56 12.379 11.684 9.504 1.00 0.00 H new ATOM 0 HB VAL A 56 9.699 11.098 8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.690 8.916 7.618 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.574 10.259 6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.247 9.455 8.293 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.556 9.241 9.788 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.066 9.794 10.553 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.614 10.822 10.605 1.00 0.00 H new ATOM 845 N ILE A 57 13.180 12.728 7.407 1.00 0.00 N ATOM 846 CA ILE A 57 13.690 13.315 6.174 1.00 0.00 C ATOM 847 C ILE A 57 14.344 12.257 5.291 1.00 0.00 C ATOM 848 O ILE A 57 15.250 11.544 5.725 1.00 0.00 O ATOM 849 CB ILE A 57 14.712 14.431 6.462 1.00 0.00 C ATOM 850 CG1 ILE A 57 14.148 15.416 7.488 1.00 0.00 C ATOM 851 CG2 ILE A 57 15.085 15.152 5.176 1.00 0.00 C ATOM 852 CD1 ILE A 57 12.881 16.104 7.031 1.00 0.00 C ATOM 0 H ILE A 57 13.902 12.402 8.049 1.00 0.00 H new ATOM 0 HA ILE A 57 12.835 13.743 5.651 1.00 0.00 H new ATOM 0 HB ILE A 57 15.614 13.980 6.877 1.00 0.00 H new ATOM 0 HG12 ILE A 57 13.948 14.884 8.418 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.903 16.171 7.708 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.808 15.938 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.523 14.442 4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.192 15.594 4.734 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.538 16.787 7.808 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.080 16.664 6.117 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.111 15.357 6.838 1.00 0.00 H new ATOM 864 N LEU A 58 13.881 12.162 4.050 1.00 0.00 N ATOM 865 CA LEU A 58 14.422 11.193 3.103 1.00 0.00 C ATOM 866 C LEU A 58 15.369 11.867 2.116 1.00 0.00 C ATOM 867 O LEU A 58 15.034 12.888 1.517 1.00 0.00 O ATOM 868 CB LEU A 58 13.287 10.500 2.348 1.00 0.00 C ATOM 869 CG LEU A 58 13.706 9.601 1.184 1.00 0.00 C ATOM 870 CD1 LEU A 58 14.403 8.351 1.699 1.00 0.00 C ATOM 871 CD2 LEU A 58 12.499 9.230 0.335 1.00 0.00 C ATOM 0 H LEU A 58 13.132 12.744 3.676 1.00 0.00 H new ATOM 0 HA LEU A 58 14.984 10.447 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.718 9.900 3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.612 11.265 1.965 1.00 0.00 H new ATOM 0 HG LEU A 58 14.409 10.152 0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.694 7.723 0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.291 8.636 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.724 7.797 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.816 8.590 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.772 8.698 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.043 10.136 -0.064 1.00 0.00 H new ATOM 883 N ASN A 59 16.554 11.286 1.949 1.00 0.00 N ATOM 884 CA ASN A 59 17.549 11.830 1.033 1.00 0.00 C ATOM 885 C ASN A 59 17.512 11.099 -0.306 1.00 0.00 C ATOM 886 O ASN A 59 17.672 9.880 -0.363 1.00 0.00 O ATOM 887 CB ASN A 59 18.947 11.725 1.645 1.00 0.00 C ATOM 888 CG ASN A 59 19.302 12.936 2.486 1.00 0.00 C ATOM 889 OD1 ASN A 59 18.495 13.851 2.648 1.00 0.00 O ATOM 890 ND2 ASN A 59 20.515 12.945 3.028 1.00 0.00 N ATOM 0 H ASN A 59 16.847 10.439 2.436 1.00 0.00 H new ATOM 0 HA ASN A 59 17.313 12.880 0.861 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.004 10.828 2.262 1.00 0.00 H new ATOM 0 HB3 ASN A 59 19.682 11.611 0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 59 20.810 13.733 3.605 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.151 12.164 2.867 1.00 0.00 H new ATOM 897 N GLN A 60 17.300 11.853 -1.380 1.00 0.00 N ATOM 898 CA GLN A 60 17.242 11.277 -2.718 1.00 0.00 C ATOM 899 C GLN A 60 18.643 10.987 -3.247 1.00 0.00 C ATOM 900 O GLN A 60 18.838 10.073 -4.049 1.00 0.00 O ATOM 901 CB GLN A 60 16.509 12.222 -3.672 1.00 0.00 C ATOM 902 CG GLN A 60 15.054 12.454 -3.299 1.00 0.00 C ATOM 903 CD GLN A 60 14.238 13.009 -4.450 1.00 0.00 C ATOM 904 OE1 GLN A 60 14.459 12.657 -5.609 1.00 0.00 O ATOM 905 NE2 GLN A 60 13.289 13.883 -4.136 1.00 0.00 N ATOM 0 H GLN A 60 17.166 12.864 -1.349 1.00 0.00 H new ATOM 0 HA GLN A 60 16.694 10.337 -2.658 1.00 0.00 H new ATOM 0 HB2 GLN A 60 17.028 13.180 -3.691 1.00 0.00 H new ATOM 0 HB3 GLN A 60 16.556 11.814 -4.682 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.614 11.514 -2.967 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.004 13.145 -2.457 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.140 14.146 -3.162 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.709 14.291 -4.869 1.00 0.00 H new ATOM 914 N ARG A 61 19.615 11.772 -2.795 1.00 0.00 N ATOM 915 CA ARG A 61 20.998 11.601 -3.224 1.00 0.00 C ATOM 916 C ARG A 61 21.578 10.298 -2.682 1.00 0.00 C ATOM 917 O ARG A 61 22.175 9.515 -3.422 1.00 0.00 O ATOM 918 CB ARG A 61 21.849 12.783 -2.758 1.00 0.00 C ATOM 919 CG ARG A 61 23.248 12.798 -3.353 1.00 0.00 C ATOM 920 CD ARG A 61 24.214 13.588 -2.484 1.00 0.00 C ATOM 921 NE ARG A 61 25.403 14.003 -3.225 1.00 0.00 N ATOM 922 CZ ARG A 61 26.449 14.598 -2.663 1.00 0.00 C ATOM 923 NH1 ARG A 61 26.454 14.845 -1.360 1.00 0.00 N ATOM 924 NH2 ARG A 61 27.493 14.945 -3.403 1.00 0.00 N ATOM 0 H ARG A 61 19.470 12.533 -2.131 1.00 0.00 H new ATOM 0 HA ARG A 61 21.012 11.560 -4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 61 21.342 13.711 -3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 61 21.926 12.758 -1.671 1.00 0.00 H new ATOM 0 HG2 ARG A 61 23.609 11.775 -3.463 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.215 13.234 -4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 61 23.708 14.468 -2.088 1.00 0.00 H new ATOM 0 HD3 ARG A 61 24.513 12.981 -1.630 1.00 0.00 H new ATOM 0 HE ARG A 61 25.431 13.826 -4.229 1.00 0.00 H new ATOM 0 HH11 ARG A 61 25.653 14.578 -0.787 1.00 0.00 H new ATOM 0 HH12 ARG A 61 27.258 15.302 -0.931 1.00 0.00 H new ATOM 0 HH21 ARG A 61 27.493 14.755 -4.405 1.00 0.00 H new ATOM 0 HH22 ARG A 61 28.296 15.402 -2.970 1.00 0.00 H new ATOM 938 N THR A 62 21.399 10.071 -1.384 1.00 0.00 N ATOM 939 CA THR A 62 21.906 8.865 -0.742 1.00 0.00 C ATOM 940 C THR A 62 20.851 7.764 -0.729 1.00 0.00 C ATOM 941 O THR A 62 21.062 6.682 -1.274 1.00 0.00 O ATOM 942 CB THR A 62 22.357 9.145 0.704 1.00 0.00 C ATOM 943 OG1 THR A 62 21.285 9.738 1.445 1.00 0.00 O ATOM 944 CG2 THR A 62 23.566 10.068 0.724 1.00 0.00 C ATOM 0 H THR A 62 20.906 10.707 -0.757 1.00 0.00 H new ATOM 0 HA THR A 62 22.766 8.534 -1.325 1.00 0.00 H new ATOM 0 HB THR A 62 22.636 8.197 1.165 1.00 0.00 H new ATOM 0 HG1 THR A 62 21.579 9.911 2.364 1.00 0.00 H new ATOM 0 HG21 THR A 62 23.867 10.252 1.756 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.389 9.601 0.184 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.310 11.014 0.247 1.00 0.00 H new ATOM 952 N GLY A 63 19.713 8.049 -0.102 1.00 0.00 N ATOM 953 CA GLY A 63 18.641 7.073 -0.031 1.00 0.00 C ATOM 954 C GLY A 63 18.474 6.497 1.361 1.00 0.00 C ATOM 955 O GLY A 63 18.097 5.335 1.520 1.00 0.00 O ATOM 0 H GLY A 63 19.515 8.938 0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.707 7.540 -0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.842 6.265 -0.734 1.00 0.00 H new ATOM 959 N LYS A 64 18.755 7.310 2.374 1.00 0.00 N ATOM 960 CA LYS A 64 18.635 6.875 3.761 1.00 0.00 C ATOM 961 C LYS A 64 17.743 7.826 4.553 1.00 0.00 C ATOM 962 O LYS A 64 17.345 8.879 4.054 1.00 0.00 O ATOM 963 CB LYS A 64 20.017 6.792 4.413 1.00 0.00 C ATOM 964 CG LYS A 64 21.026 6.000 3.600 1.00 0.00 C ATOM 965 CD LYS A 64 22.274 5.691 4.409 1.00 0.00 C ATOM 966 CE LYS A 64 22.052 4.517 5.350 1.00 0.00 C ATOM 967 NZ LYS A 64 23.336 3.980 5.880 1.00 0.00 N ATOM 0 H LYS A 64 19.068 8.274 2.260 1.00 0.00 H new ATOM 0 HA LYS A 64 18.178 5.885 3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.398 7.802 4.566 1.00 0.00 H new ATOM 0 HB3 LYS A 64 19.918 6.336 5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.571 5.069 3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 64 21.300 6.564 2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 64 23.100 5.466 3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.563 6.570 4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 64 21.420 4.832 6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 64 21.517 3.726 4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 23.142 3.181 6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 23.929 3.656 5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 23.835 4.727 6.404 1.00 0.00 H new ATOM 981 N CYS A 65 17.435 7.449 5.789 1.00 0.00 N ATOM 982 CA CYS A 65 16.591 8.269 6.651 1.00 0.00 C ATOM 983 C CYS A 65 17.364 8.741 7.878 1.00 0.00 C ATOM 984 O CYS A 65 18.378 8.152 8.250 1.00 0.00 O ATOM 985 CB CYS A 65 15.353 7.484 7.083 1.00 0.00 C ATOM 986 SG CYS A 65 14.332 6.900 5.710 1.00 0.00 S ATOM 0 H CYS A 65 17.757 6.581 6.217 1.00 0.00 H new ATOM 0 HA CYS A 65 16.276 9.145 6.084 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.669 6.626 7.677 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.745 8.114 7.732 1.00 0.00 H new ATOM 0 HG CYS A 65 13.310 6.245 6.177 1.00 0.00 H new ATOM 992 N SER A 66 16.877 9.809 8.503 1.00 0.00 N ATOM 993 CA SER A 66 17.525 10.364 9.685 1.00 0.00 C ATOM 994 C SER A 66 16.589 11.320 10.419 1.00 0.00 C ATOM 995 O SER A 66 15.513 11.655 9.924 1.00 0.00 O ATOM 996 CB SER A 66 18.812 11.092 9.294 1.00 0.00 C ATOM 997 OG SER A 66 18.544 12.154 8.395 1.00 0.00 O ATOM 0 H SER A 66 16.036 10.307 8.210 1.00 0.00 H new ATOM 0 HA SER A 66 17.772 9.540 10.354 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.299 11.482 10.188 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.506 10.389 8.834 1.00 0.00 H new ATOM 0 HG SER A 66 19.382 12.605 8.162 1.00 0.00 H new ATOM 1003 N ALA A 67 17.008 11.756 11.602 1.00 0.00 N ATOM 1004 CA ALA A 67 16.210 12.675 12.404 1.00 0.00 C ATOM 1005 C ALA A 67 16.734 14.102 12.289 1.00 0.00 C ATOM 1006 O ALA A 67 17.926 14.320 12.067 1.00 0.00 O ATOM 1007 CB ALA A 67 16.197 12.232 13.860 1.00 0.00 C ATOM 0 H ALA A 67 17.896 11.488 12.026 1.00 0.00 H new ATOM 0 HA ALA A 67 15.190 12.658 12.021 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.597 12.928 14.447 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.768 11.233 13.932 1.00 0.00 H new ATOM 0 HB3 ALA A 67 17.217 12.218 14.245 1.00 0.00 H new ATOM 1013 N CYS A 68 15.838 15.071 12.439 1.00 0.00 N ATOM 1014 CA CYS A 68 16.210 16.478 12.350 1.00 0.00 C ATOM 1015 C CYS A 68 15.328 17.333 13.254 1.00 0.00 C ATOM 1016 O CYS A 68 14.108 17.177 13.274 1.00 0.00 O ATOM 1017 CB CYS A 68 16.103 16.965 10.904 1.00 0.00 C ATOM 1018 SG CYS A 68 17.623 16.770 9.945 1.00 0.00 S ATOM 0 H CYS A 68 14.848 14.908 12.623 1.00 0.00 H new ATOM 0 HA CYS A 68 17.243 16.576 12.683 1.00 0.00 H new ATOM 0 HB2 CYS A 68 15.300 16.420 10.407 1.00 0.00 H new ATOM 0 HB3 CYS A 68 15.820 18.018 10.906 1.00 0.00 H new ATOM 0 HG CYS A 68 18.321 15.787 10.433 1.00 0.00 H new ATOM 1024 N ASN A 69 15.954 18.235 14.003 1.00 0.00 N ATOM 1025 CA ASN A 69 15.226 19.113 14.911 1.00 0.00 C ATOM 1026 C ASN A 69 14.522 18.307 15.999 1.00 0.00 C ATOM 1027 O ASN A 69 13.329 18.487 16.246 1.00 0.00 O ATOM 1028 CB ASN A 69 14.204 19.948 14.137 1.00 0.00 C ATOM 1029 CG ASN A 69 14.793 20.568 12.885 1.00 0.00 C ATOM 1030 OD1 ASN A 69 15.625 21.473 12.960 1.00 0.00 O ATOM 1031 ND2 ASN A 69 14.364 20.083 11.726 1.00 0.00 N ATOM 0 H ASN A 69 16.964 18.377 13.999 1.00 0.00 H new ATOM 0 HA ASN A 69 15.945 19.780 15.386 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.357 19.319 13.864 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.819 20.737 14.783 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.725 20.461 10.850 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.673 19.333 11.711 1.00 0.00 H new ATOM 1038 N VAL A 70 15.268 17.418 16.646 1.00 0.00 N ATOM 1039 CA VAL A 70 14.717 16.585 17.708 1.00 0.00 C ATOM 1040 C VAL A 70 14.386 17.417 18.943 1.00 0.00 C ATOM 1041 O VAL A 70 15.281 17.905 19.632 1.00 0.00 O ATOM 1042 CB VAL A 70 15.694 15.462 18.106 1.00 0.00 C ATOM 1043 CG1 VAL A 70 15.059 14.543 19.137 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.131 14.678 16.878 1.00 0.00 C ATOM 0 H VAL A 70 16.256 17.256 16.453 1.00 0.00 H new ATOM 0 HA VAL A 70 13.802 16.139 17.318 1.00 0.00 H new ATOM 0 HB VAL A 70 16.579 15.915 18.554 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.764 13.756 19.406 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.800 15.118 20.026 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.157 14.095 18.719 1.00 0.00 H new ATOM 0 HG21 VAL A 70 16.821 13.889 17.177 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.258 14.235 16.400 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.628 15.348 16.177 1.00 0.00 H new ATOM 1054 N TRP A 71 13.096 17.573 19.215 1.00 0.00 N ATOM 1055 CA TRP A 71 12.647 18.346 20.368 1.00 0.00 C ATOM 1056 C TRP A 71 12.109 17.429 21.461 1.00 0.00 C ATOM 1057 O TRP A 71 11.283 16.555 21.201 1.00 0.00 O ATOM 1058 CB TRP A 71 11.569 19.346 19.948 1.00 0.00 C ATOM 1059 CG TRP A 71 12.126 20.639 19.433 1.00 0.00 C ATOM 1060 CD1 TRP A 71 13.200 20.795 18.603 1.00 0.00 C ATOM 1061 CD2 TRP A 71 11.639 21.955 19.714 1.00 0.00 C ATOM 1062 NE1 TRP A 71 13.409 22.130 18.352 1.00 0.00 N ATOM 1063 CE2 TRP A 71 12.465 22.862 19.022 1.00 0.00 C ATOM 1064 CE3 TRP A 71 10.585 22.456 20.483 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 12.268 24.239 19.077 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 10.391 23.823 20.537 1.00 0.00 C ATOM 1067 CH2 TRP A 71 11.229 24.702 19.837 1.00 0.00 C ATOM 0 H TRP A 71 12.343 17.175 18.654 1.00 0.00 H new ATOM 0 HA TRP A 71 13.503 18.891 20.765 1.00 0.00 H new ATOM 0 HB2 TRP A 71 10.945 18.894 19.176 1.00 0.00 H new ATOM 0 HB3 TRP A 71 10.922 19.551 20.801 1.00 0.00 H new ATOM 0 HD1 TRP A 71 13.797 19.988 18.203 1.00 0.00 H new ATOM 0 HE1 TRP A 71 14.148 22.514 17.762 1.00 0.00 H new ATOM 0 HE3 TRP A 71 9.934 21.787 21.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 12.913 24.918 18.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.580 24.221 21.129 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.051 25.765 19.899 1.00 0.00 H new ATOM 1078 N ARG A 72 12.584 17.635 22.686 1.00 0.00 N ATOM 1079 CA ARG A 72 12.150 16.826 23.819 1.00 0.00 C ATOM 1080 C ARG A 72 10.791 17.292 24.332 1.00 0.00 C ATOM 1081 O ARG A 72 10.618 18.457 24.690 1.00 0.00 O ATOM 1082 CB ARG A 72 13.183 16.893 24.945 1.00 0.00 C ATOM 1083 CG ARG A 72 13.063 15.759 25.950 1.00 0.00 C ATOM 1084 CD ARG A 72 13.796 16.080 27.243 1.00 0.00 C ATOM 1085 NE ARG A 72 13.311 17.315 27.854 1.00 0.00 N ATOM 1086 CZ ARG A 72 13.974 17.979 28.795 1.00 0.00 C ATOM 1087 NH1 ARG A 72 15.142 17.528 29.230 1.00 0.00 N ATOM 1088 NH2 ARG A 72 13.468 19.095 29.303 1.00 0.00 N ATOM 0 H ARG A 72 13.269 18.354 22.919 1.00 0.00 H new ATOM 0 HA ARG A 72 12.056 15.794 23.482 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.183 16.878 24.511 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.077 17.843 25.468 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.011 15.571 26.164 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.469 14.844 25.518 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.672 15.255 27.945 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.864 16.170 27.042 1.00 0.00 H new ATOM 0 HE ARG A 72 12.415 17.688 27.541 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.534 16.670 28.842 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.649 18.039 29.952 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.569 19.444 28.971 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.978 19.604 30.025 1.00 0.00 H new ATOM 1102 N VAL A 73 9.830 16.375 24.364 1.00 0.00 N ATOM 1103 CA VAL A 73 8.486 16.692 24.834 1.00 0.00 C ATOM 1104 C VAL A 73 8.126 15.868 26.065 1.00 0.00 C ATOM 1105 O VAL A 73 7.150 16.160 26.756 1.00 0.00 O ATOM 1106 CB VAL A 73 7.435 16.442 23.736 1.00 0.00 C ATOM 1107 CG1 VAL A 73 7.667 17.368 22.553 1.00 0.00 C ATOM 1108 CG2 VAL A 73 7.460 14.985 23.297 1.00 0.00 C ATOM 0 H VAL A 73 9.957 15.406 24.070 1.00 0.00 H new ATOM 0 HA VAL A 73 8.483 17.750 25.096 1.00 0.00 H new ATOM 0 HB VAL A 73 6.448 16.657 24.146 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.915 17.176 21.788 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.594 18.404 22.882 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.659 17.188 22.139 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.711 14.826 22.521 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.447 14.740 22.905 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.240 14.344 24.151 1.00 0.00 H new ATOM 1118 N SER A 74 8.921 14.838 26.334 1.00 0.00 N ATOM 1119 CA SER A 74 8.685 13.969 27.481 1.00 0.00 C ATOM 1120 C SER A 74 9.505 14.423 28.685 1.00 0.00 C ATOM 1121 O SER A 74 9.760 13.647 29.604 1.00 0.00 O ATOM 1122 CB SER A 74 9.031 12.521 27.131 1.00 0.00 C ATOM 1123 OG SER A 74 7.863 11.723 27.044 1.00 0.00 O ATOM 0 H SER A 74 9.734 14.585 25.773 1.00 0.00 H new ATOM 0 HA SER A 74 7.628 14.030 27.740 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.567 12.491 26.182 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.700 12.111 27.888 1.00 0.00 H new ATOM 0 HG SER A 74 8.105 10.778 27.137 1.00 0.00 H new