USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 520 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 1.72 K(o=1.7,f=-3.6!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0771 USER MOD Single : A 25 SER OG : rot 180:sc= 0.385 USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0.568 (180deg=0.537) USER MOD Single : A 32 MET CE :methyl 161:sc= -0.372 (180deg=-1.22) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 105:sc= 1.21 USER MOD Single : A 40 GLN : amide:sc= 0.5 K(o=0.5,f=-0.6) USER MOD Single : A 48 CYS SG : rot 60:sc= 0.208 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.0229 X(o=-0.023,f=-0.023) USER MOD Single : A 60 ASN : amide:sc= 0.71 K(o=0.71,f=-1.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -159:sc= 0.0908! (180deg=-0.491!) USER MOD ----------------------------------------------------------------- ATOM 59 N TYR A 5 13.034 1.831 0.074 1.00 25.00 N ATOM 60 CA TYR A 5 13.756 0.603 0.416 1.00 25.00 C ATOM 61 C TYR A 5 13.347 -0.641 -0.404 1.00 25.00 C ATOM 62 O TYR A 5 12.522 -0.570 -1.309 1.00 25.00 O ATOM 63 CB TYR A 5 13.628 0.348 1.922 1.00 25.00 C ATOM 64 CG TYR A 5 14.441 1.309 2.764 1.00 25.00 C ATOM 65 CD1 TYR A 5 13.827 2.111 3.748 1.00 25.00 C ATOM 66 CD2 TYR A 5 15.840 1.411 2.595 1.00 25.00 C ATOM 67 CE1 TYR A 5 14.601 2.991 4.557 1.00 25.00 C ATOM 68 CE2 TYR A 5 16.610 2.285 3.398 1.00 25.00 C ATOM 69 CZ TYR A 5 15.988 3.062 4.373 1.00 25.00 C ATOM 70 OH TYR A 5 16.745 3.897 5.152 1.00 25.00 O ATOM 0 HA TYR A 5 14.799 0.768 0.145 1.00 25.00 H new ATOM 0 HB2 TYR A 5 12.579 0.423 2.208 1.00 25.00 H new ATOM 0 HB3 TYR A 5 13.945 -0.672 2.139 1.00 25.00 H new ATOM 0 HD1 TYR A 5 12.758 2.057 3.890 1.00 25.00 H new ATOM 0 HD2 TYR A 5 16.329 0.812 1.841 1.00 25.00 H new ATOM 0 HE1 TYR A 5 14.121 3.600 5.308 1.00 25.00 H new ATOM 0 HE2 TYR A 5 17.679 2.350 3.255 1.00 25.00 H new ATOM 0 HH TYR A 5 17.687 3.822 4.893 1.00 25.00 H new ATOM 80 N LEU A 6 14.015 -1.758 -0.142 1.00 25.00 N ATOM 81 CA LEU A 6 13.791 -3.002 -0.882 1.00 25.00 C ATOM 82 C LEU A 6 12.550 -3.749 -0.375 1.00 25.00 C ATOM 83 O LEU A 6 11.820 -4.345 -1.160 1.00 25.00 O ATOM 84 CB LEU A 6 15.011 -3.930 -0.736 1.00 25.00 C ATOM 85 CG LEU A 6 16.393 -3.452 -1.212 1.00 25.00 C ATOM 86 CD1 LEU A 6 17.459 -4.496 -0.818 1.00 25.00 C ATOM 87 CD2 LEU A 6 16.424 -3.232 -2.722 1.00 25.00 C ATOM 0 H LEU A 6 14.726 -1.831 0.586 1.00 25.00 H new ATOM 0 HA LEU A 6 13.638 -2.732 -1.927 1.00 25.00 H new ATOM 0 HB2 LEU A 6 15.101 -4.186 0.320 1.00 25.00 H new ATOM 0 HB3 LEU A 6 14.784 -4.853 -1.270 1.00 25.00 H new ATOM 0 HG LEU A 6 16.605 -2.497 -0.731 1.00 25.00 H new ATOM 0 HD11 LEU A 6 18.440 -4.159 -1.154 1.00 25.00 H new ATOM 0 HD12 LEU A 6 17.468 -4.615 0.265 1.00 25.00 H new ATOM 0 HD13 LEU A 6 17.223 -5.452 -1.286 1.00 25.00 H new ATOM 0 HD21 LEU A 6 17.417 -2.895 -3.020 1.00 25.00 H new ATOM 0 HD22 LEU A 6 16.190 -4.167 -3.231 1.00 25.00 H new ATOM 0 HD23 LEU A 6 15.687 -2.477 -2.995 1.00 25.00 H new ATOM 99 N ASN A 7 12.357 -3.734 0.943 1.00 25.00 N ATOM 100 CA ASN A 7 11.241 -4.422 1.623 1.00 25.00 C ATOM 101 C ASN A 7 11.069 -5.894 1.215 1.00 25.00 C ATOM 102 O ASN A 7 9.977 -6.343 0.863 1.00 25.00 O ATOM 103 CB ASN A 7 9.934 -3.643 1.431 1.00 25.00 C ATOM 104 CG ASN A 7 9.901 -2.386 2.245 1.00 25.00 C ATOM 105 OD1 ASN A 7 10.066 -2.420 3.456 1.00 25.00 O ATOM 106 ND2 ASN A 7 9.709 -1.279 1.600 1.00 25.00 N ATOM 0 H ASN A 7 12.976 -3.239 1.585 1.00 25.00 H new ATOM 0 HA ASN A 7 11.500 -4.442 2.682 1.00 25.00 H new ATOM 0 HB2 ASN A 7 9.812 -3.395 0.377 1.00 25.00 H new ATOM 0 HB3 ASN A 7 9.091 -4.276 1.709 1.00 25.00 H new ATOM 0 HD21 ASN A 7 9.691 -0.392 2.103 1.00 25.00 H new ATOM 0 HD22 ASN A 7 9.575 -1.294 0.589 1.00 25.00 H new ATOM 113 N VAL A 8 12.152 -6.651 1.305 1.00 25.00 N ATOM 114 CA VAL A 8 12.130 -8.088 1.006 1.00 25.00 C ATOM 115 C VAL A 8 12.254 -8.791 2.352 1.00 25.00 C ATOM 116 O VAL A 8 12.651 -8.171 3.323 1.00 25.00 O ATOM 117 CB VAL A 8 13.283 -8.496 0.005 1.00 25.00 C ATOM 118 CG1 VAL A 8 13.819 -7.274 -0.726 1.00 25.00 C ATOM 119 CG2 VAL A 8 14.448 -9.190 0.699 1.00 25.00 C ATOM 0 H VAL A 8 13.067 -6.297 1.584 1.00 25.00 H new ATOM 0 HA VAL A 8 11.209 -8.377 0.500 1.00 25.00 H new ATOM 0 HB VAL A 8 12.835 -9.197 -0.699 1.00 25.00 H new ATOM 0 HG11 VAL A 8 14.612 -7.578 -1.410 1.00 25.00 H new ATOM 0 HG12 VAL A 8 13.013 -6.805 -1.290 1.00 25.00 H new ATOM 0 HG13 VAL A 8 14.217 -6.563 -0.002 1.00 25.00 H new ATOM 0 HG21 VAL A 8 15.209 -9.447 -0.037 1.00 25.00 H new ATOM 0 HG22 VAL A 8 14.877 -8.522 1.446 1.00 25.00 H new ATOM 0 HG23 VAL A 8 14.093 -10.098 1.186 1.00 25.00 H new ATOM 129 N LEU A 9 11.923 -10.068 2.430 1.00 25.00 N ATOM 130 CA LEU A 9 12.066 -10.804 3.685 1.00 25.00 C ATOM 131 C LEU A 9 13.341 -11.634 3.629 1.00 25.00 C ATOM 132 O LEU A 9 13.736 -12.080 2.568 1.00 25.00 O ATOM 133 CB LEU A 9 10.853 -11.714 3.899 1.00 25.00 C ATOM 134 CG LEU A 9 9.495 -11.001 4.015 1.00 25.00 C ATOM 135 CD1 LEU A 9 8.386 -12.044 4.164 1.00 25.00 C ATOM 136 CD2 LEU A 9 9.457 -10.032 5.198 1.00 25.00 C ATOM 0 H LEU A 9 11.557 -10.616 1.652 1.00 25.00 H new ATOM 0 HA LEU A 9 12.124 -10.103 4.518 1.00 25.00 H new ATOM 0 HB2 LEU A 9 10.802 -12.421 3.071 1.00 25.00 H new ATOM 0 HB3 LEU A 9 11.015 -12.297 4.806 1.00 25.00 H new ATOM 0 HG LEU A 9 9.343 -10.417 3.107 1.00 25.00 H new ATOM 0 HD11 LEU A 9 7.422 -11.541 4.246 1.00 25.00 H new ATOM 0 HD12 LEU A 9 8.381 -12.697 3.291 1.00 25.00 H new ATOM 0 HD13 LEU A 9 8.563 -12.638 5.061 1.00 25.00 H new ATOM 0 HD21 LEU A 9 8.480 -9.550 5.243 1.00 25.00 H new ATOM 0 HD22 LEU A 9 9.634 -10.580 6.123 1.00 25.00 H new ATOM 0 HD23 LEU A 9 10.230 -9.274 5.072 1.00 25.00 H new ATOM 148 N ALA A 10 13.981 -11.859 4.762 1.00 25.00 N ATOM 149 CA ALA A 10 15.169 -12.711 4.806 1.00 25.00 C ATOM 150 C ALA A 10 15.130 -13.592 6.052 1.00 25.00 C ATOM 151 O ALA A 10 14.711 -13.135 7.111 1.00 25.00 O ATOM 152 CB ALA A 10 16.424 -11.852 4.793 1.00 25.00 C ATOM 0 H ALA A 10 13.705 -11.469 5.663 1.00 25.00 H new ATOM 0 HA ALA A 10 15.183 -13.355 3.927 1.00 25.00 H new ATOM 0 HB1 ALA A 10 17.304 -12.494 4.826 1.00 25.00 H new ATOM 0 HB2 ALA A 10 16.445 -11.253 3.883 1.00 25.00 H new ATOM 0 HB3 ALA A 10 16.423 -11.193 5.661 1.00 25.00 H new ATOM 158 N LYS A 11 15.560 -14.845 5.921 1.00 25.00 N ATOM 159 CA LYS A 11 15.596 -15.778 7.047 1.00 25.00 C ATOM 160 C LYS A 11 17.002 -15.877 7.616 1.00 25.00 C ATOM 161 O LYS A 11 17.969 -16.016 6.866 1.00 25.00 O ATOM 162 CB LYS A 11 15.144 -17.178 6.618 1.00 25.00 C ATOM 163 CG LYS A 11 15.327 -18.240 7.718 1.00 25.00 C ATOM 164 CD LYS A 11 14.460 -19.477 7.532 1.00 25.00 C ATOM 165 CE LYS A 11 13.011 -19.188 7.916 1.00 25.00 C ATOM 166 NZ LYS A 11 12.292 -20.365 8.516 1.00 25.00 N ATOM 0 H LYS A 11 15.891 -15.240 5.041 1.00 25.00 H new ATOM 0 HA LYS A 11 14.915 -15.395 7.807 1.00 25.00 H new ATOM 0 HB2 LYS A 11 14.094 -17.141 6.330 1.00 25.00 H new ATOM 0 HB3 LYS A 11 15.707 -17.479 5.734 1.00 25.00 H new ATOM 0 HG2 LYS A 11 16.374 -18.543 7.746 1.00 25.00 H new ATOM 0 HG3 LYS A 11 15.099 -17.791 8.685 1.00 25.00 H new ATOM 0 HD2 LYS A 11 14.507 -19.806 6.494 1.00 25.00 H new ATOM 0 HD3 LYS A 11 14.847 -20.293 8.143 1.00 25.00 H new ATOM 0 HE2 LYS A 11 12.992 -18.362 8.627 1.00 25.00 H new ATOM 0 HE3 LYS A 11 12.470 -18.858 7.029 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 11.316 -20.093 8.751 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 12.278 -21.149 7.832 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 12.784 -20.669 9.381 1.00 25.00 H new ATOM 180 N ALA A 12 17.100 -15.869 8.933 1.00 25.00 N ATOM 181 CA ALA A 12 18.368 -16.066 9.619 1.00 25.00 C ATOM 182 C ALA A 12 18.772 -17.538 9.542 1.00 25.00 C ATOM 183 O ALA A 12 17.981 -18.416 9.878 1.00 25.00 O ATOM 184 CB ALA A 12 18.222 -15.640 11.068 1.00 25.00 C ATOM 0 H ALA A 12 16.306 -15.726 9.558 1.00 25.00 H new ATOM 0 HA ALA A 12 19.142 -15.464 9.142 1.00 25.00 H new ATOM 0 HB1 ALA A 12 19.169 -15.785 11.587 1.00 25.00 H new ATOM 0 HB2 ALA A 12 17.942 -14.587 11.111 1.00 25.00 H new ATOM 0 HB3 ALA A 12 17.449 -16.241 11.548 1.00 25.00 H new ATOM 190 N LEU A 13 20.003 -17.810 9.140 1.00 25.00 N ATOM 191 CA LEU A 13 20.517 -19.180 9.138 1.00 25.00 C ATOM 192 C LEU A 13 21.188 -19.470 10.452 1.00 25.00 C ATOM 193 O LEU A 13 21.464 -20.614 10.765 1.00 25.00 O ATOM 194 CB LEU A 13 21.571 -19.380 8.054 1.00 25.00 C ATOM 195 CG LEU A 13 21.215 -19.271 6.576 1.00 25.00 C ATOM 196 CD1 LEU A 13 19.792 -19.738 6.247 1.00 25.00 C ATOM 197 CD2 LEU A 13 21.431 -17.875 6.077 1.00 25.00 C ATOM 0 H LEU A 13 20.666 -17.108 8.811 1.00 25.00 H new ATOM 0 HA LEU A 13 19.669 -19.841 8.960 1.00 25.00 H new ATOM 0 HB2 LEU A 13 22.364 -18.657 8.244 1.00 25.00 H new ATOM 0 HB3 LEU A 13 21.999 -20.371 8.206 1.00 25.00 H new ATOM 0 HG LEU A 13 21.890 -19.953 6.058 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.612 -19.631 5.177 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.678 -20.784 6.531 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.073 -19.132 6.798 1.00 25.00 H new ATOM 0 HD21 LEU A 13 21.170 -17.822 5.020 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.802 -17.186 6.641 1.00 25.00 H new ATOM 0 HD23 LEU A 13 22.478 -17.600 6.207 1.00 25.00 H new ATOM 209 N TYR A 14 21.484 -18.421 11.195 1.00 25.00 N ATOM 210 CA TYR A 14 22.195 -18.541 12.459 1.00 25.00 C ATOM 211 C TYR A 14 21.694 -17.523 13.457 1.00 25.00 C ATOM 212 O TYR A 14 21.102 -16.517 13.079 1.00 25.00 O ATOM 213 CB TYR A 14 23.685 -18.312 12.231 1.00 25.00 C ATOM 214 CG TYR A 14 24.266 -19.302 11.256 1.00 25.00 C ATOM 215 CD1 TYR A 14 24.468 -18.954 9.907 1.00 25.00 C ATOM 216 CD2 TYR A 14 24.575 -20.613 11.666 1.00 25.00 C ATOM 217 CE1 TYR A 14 24.949 -19.908 8.976 1.00 25.00 C ATOM 218 CE2 TYR A 14 25.063 -21.560 10.744 1.00 25.00 C ATOM 219 CZ TYR A 14 25.236 -21.206 9.404 1.00 25.00 C ATOM 220 OH TYR A 14 25.675 -22.137 8.505 1.00 25.00 O ATOM 0 H TYR A 14 21.240 -17.463 10.943 1.00 25.00 H new ATOM 0 HA TYR A 14 22.021 -19.542 12.854 1.00 25.00 H new ATOM 0 HB2 TYR A 14 23.843 -17.300 11.858 1.00 25.00 H new ATOM 0 HB3 TYR A 14 24.213 -18.387 13.182 1.00 25.00 H new ATOM 0 HD1 TYR A 14 24.254 -17.948 9.578 1.00 25.00 H new ATOM 0 HD2 TYR A 14 24.436 -20.896 12.699 1.00 25.00 H new ATOM 0 HE1 TYR A 14 25.093 -19.633 7.942 1.00 25.00 H new ATOM 0 HE2 TYR A 14 25.303 -22.560 11.074 1.00 25.00 H new ATOM 0 HH TYR A 14 25.830 -22.988 8.965 1.00 25.00 H new ATOM 230 N ASP A 15 21.981 -17.777 14.722 1.00 25.00 N ATOM 231 CA ASP A 15 21.714 -16.818 15.784 1.00 25.00 C ATOM 232 C ASP A 15 22.647 -15.638 15.566 1.00 25.00 C ATOM 233 O ASP A 15 23.772 -15.807 15.074 1.00 25.00 O ATOM 234 CB ASP A 15 22.021 -17.431 17.160 1.00 25.00 C ATOM 235 CG ASP A 15 21.047 -18.524 17.552 1.00 25.00 C ATOM 236 OD1 ASP A 15 20.000 -18.656 16.898 1.00 25.00 O ATOM 237 OD2 ASP A 15 21.292 -19.233 18.547 1.00 25.00 O ATOM 0 H ASP A 15 22.403 -18.648 15.042 1.00 25.00 H new ATOM 0 HA ASP A 15 20.665 -16.522 15.761 1.00 25.00 H new ATOM 0 HB2 ASP A 15 23.032 -17.838 17.153 1.00 25.00 H new ATOM 0 HB3 ASP A 15 21.999 -16.645 17.915 1.00 25.00 H new ATOM 242 N ASN A 16 22.219 -14.458 15.976 1.00 25.00 N ATOM 243 CA ASN A 16 23.076 -13.289 15.928 1.00 25.00 C ATOM 244 C ASN A 16 22.913 -12.511 17.207 1.00 25.00 C ATOM 245 O ASN A 16 21.796 -12.231 17.636 1.00 25.00 O ATOM 246 CB ASN A 16 22.739 -12.385 14.749 1.00 25.00 C ATOM 247 CG ASN A 16 23.860 -11.437 14.432 1.00 25.00 C ATOM 248 OD1 ASN A 16 24.950 -11.871 14.080 1.00 25.00 O ATOM 249 ND2 ASN A 16 23.632 -10.167 14.592 1.00 25.00 N ATOM 0 H ASN A 16 21.284 -14.284 16.345 1.00 25.00 H new ATOM 0 HA ASN A 16 24.105 -13.629 15.807 1.00 25.00 H new ATOM 0 HB2 ASN A 16 22.522 -12.996 13.873 1.00 25.00 H new ATOM 0 HB3 ASN A 16 21.836 -11.817 14.973 1.00 25.00 H new ATOM 0 HD21 ASN A 16 24.376 -9.490 14.423 1.00 25.00 H new ATOM 0 HD22 ASN A 16 22.709 -9.848 14.886 1.00 25.00 H new ATOM 256 N VAL A 17 24.034 -12.139 17.793 1.00 25.00 N ATOM 257 CA VAL A 17 24.048 -11.311 18.976 1.00 25.00 C ATOM 258 C VAL A 17 24.589 -9.995 18.479 1.00 25.00 C ATOM 259 O VAL A 17 25.620 -9.952 17.806 1.00 25.00 O ATOM 260 CB VAL A 17 24.950 -11.906 20.091 1.00 25.00 C ATOM 261 CG1 VAL A 17 24.998 -10.971 21.311 1.00 25.00 C ATOM 262 CG2 VAL A 17 24.418 -13.290 20.511 1.00 25.00 C ATOM 0 H VAL A 17 24.961 -12.404 17.459 1.00 25.00 H new ATOM 0 HA VAL A 17 23.062 -11.223 19.433 1.00 25.00 H new ATOM 0 HB VAL A 17 25.961 -12.011 19.698 1.00 25.00 H new ATOM 0 HG11 VAL A 17 25.636 -11.408 22.079 1.00 25.00 H new ATOM 0 HG12 VAL A 17 25.401 -10.003 21.012 1.00 25.00 H new ATOM 0 HG13 VAL A 17 23.991 -10.838 21.707 1.00 25.00 H new ATOM 0 HG21 VAL A 17 25.055 -13.702 21.294 1.00 25.00 H new ATOM 0 HG22 VAL A 17 23.400 -13.190 20.887 1.00 25.00 H new ATOM 0 HG23 VAL A 17 24.422 -13.958 19.650 1.00 25.00 H new ATOM 272 N ALA A 18 23.846 -8.942 18.748 1.00 25.00 N ATOM 273 CA ALA A 18 24.227 -7.612 18.340 1.00 25.00 C ATOM 274 C ALA A 18 25.384 -7.149 19.220 1.00 25.00 C ATOM 275 O ALA A 18 25.247 -7.035 20.437 1.00 25.00 O ATOM 276 CB ALA A 18 23.044 -6.698 18.472 1.00 25.00 C ATOM 0 H ALA A 18 22.962 -8.987 19.255 1.00 25.00 H new ATOM 0 HA ALA A 18 24.550 -7.601 17.299 1.00 25.00 H new ATOM 0 HB1 ALA A 18 23.326 -5.691 18.165 1.00 25.00 H new ATOM 0 HB2 ALA A 18 22.234 -7.057 17.837 1.00 25.00 H new ATOM 0 HB3 ALA A 18 22.711 -6.681 19.510 1.00 25.00 H new ATOM 282 N GLU A 19 26.529 -6.938 18.596 1.00 25.00 N ATOM 283 CA GLU A 19 27.746 -6.536 19.299 1.00 25.00 C ATOM 284 C GLU A 19 27.974 -5.056 19.050 1.00 25.00 C ATOM 285 O GLU A 19 28.515 -4.336 19.883 1.00 25.00 O ATOM 286 CB GLU A 19 28.917 -7.365 18.775 1.00 25.00 C ATOM 287 CG GLU A 19 28.785 -8.839 19.159 1.00 25.00 C ATOM 288 CD GLU A 19 29.767 -9.753 18.432 1.00 25.00 C ATOM 289 OE1 GLU A 19 30.425 -9.288 17.476 1.00 25.00 O ATOM 290 OE2 GLU A 19 29.750 -10.974 18.699 1.00 25.00 O ATOM 0 H GLU A 19 26.647 -7.039 17.588 1.00 25.00 H new ATOM 0 HA GLU A 19 27.654 -6.707 20.372 1.00 25.00 H new ATOM 0 HB2 GLU A 19 28.969 -7.275 17.690 1.00 25.00 H new ATOM 0 HB3 GLU A 19 29.851 -6.968 19.173 1.00 25.00 H new ATOM 0 HG2 GLU A 19 28.936 -8.940 20.234 1.00 25.00 H new ATOM 0 HG3 GLU A 19 27.769 -9.171 18.947 1.00 25.00 H new ATOM 297 N SER A 20 27.488 -4.603 17.907 1.00 25.00 N ATOM 298 CA SER A 20 27.500 -3.187 17.563 1.00 25.00 C ATOM 299 C SER A 20 26.187 -2.593 18.044 1.00 25.00 C ATOM 300 O SER A 20 25.151 -3.261 18.008 1.00 25.00 O ATOM 301 CB SER A 20 27.624 -3.026 16.047 1.00 25.00 C ATOM 302 OG SER A 20 27.262 -1.720 15.621 1.00 25.00 O ATOM 0 H SER A 20 27.075 -5.202 17.192 1.00 25.00 H new ATOM 0 HA SER A 20 28.344 -2.680 18.031 1.00 25.00 H new ATOM 0 HB2 SER A 20 28.649 -3.236 15.742 1.00 25.00 H new ATOM 0 HB3 SER A 20 26.988 -3.759 15.551 1.00 25.00 H new ATOM 0 HG SER A 20 27.356 -1.656 14.648 1.00 25.00 H new ATOM 308 N PRO A 21 26.192 -1.315 18.460 1.00 25.00 N ATOM 309 CA PRO A 21 24.943 -0.693 18.907 1.00 25.00 C ATOM 310 C PRO A 21 23.925 -0.471 17.786 1.00 25.00 C ATOM 311 O PRO A 21 22.776 -0.141 18.057 1.00 25.00 O ATOM 312 CB PRO A 21 25.424 0.637 19.493 1.00 25.00 C ATOM 313 CG PRO A 21 26.657 0.943 18.723 1.00 25.00 C ATOM 314 CD PRO A 21 27.325 -0.373 18.556 1.00 25.00 C ATOM 0 HA PRO A 21 24.404 -1.327 19.611 1.00 25.00 H new ATOM 0 HB2 PRO A 21 24.675 1.420 19.375 1.00 25.00 H new ATOM 0 HB3 PRO A 21 25.630 0.552 20.560 1.00 25.00 H new ATOM 0 HG2 PRO A 21 26.422 1.394 17.759 1.00 25.00 H new ATOM 0 HG3 PRO A 21 27.295 1.647 19.257 1.00 25.00 H new ATOM 0 HD2 PRO A 21 27.947 -0.398 17.661 1.00 25.00 H new ATOM 0 HD3 PRO A 21 27.973 -0.606 19.401 1.00 25.00 H new ATOM 322 N ASP A 22 24.328 -0.674 16.536 1.00 25.00 N ATOM 323 CA ASP A 22 23.405 -0.548 15.403 1.00 25.00 C ATOM 324 C ASP A 22 22.925 -1.901 14.920 1.00 25.00 C ATOM 325 O ASP A 22 22.064 -2.002 14.069 1.00 25.00 O ATOM 326 CB ASP A 22 24.111 0.111 14.232 1.00 25.00 C ATOM 327 CG ASP A 22 23.151 0.886 13.329 1.00 25.00 C ATOM 328 OD1 ASP A 22 23.572 1.275 12.220 1.00 25.00 O ATOM 329 OD2 ASP A 22 21.978 1.095 13.717 1.00 25.00 O ATOM 0 H ASP A 22 25.282 -0.926 16.278 1.00 25.00 H new ATOM 0 HA ASP A 22 22.559 0.045 15.749 1.00 25.00 H new ATOM 0 HB2 ASP A 22 24.877 0.789 14.609 1.00 25.00 H new ATOM 0 HB3 ASP A 22 24.622 -0.652 13.644 1.00 25.00 H new ATOM 334 N GLU A 23 23.555 -2.944 15.410 1.00 25.00 N ATOM 335 CA GLU A 23 23.273 -4.293 14.946 1.00 25.00 C ATOM 336 C GLU A 23 22.000 -4.857 15.582 1.00 25.00 C ATOM 337 O GLU A 23 21.595 -4.464 16.677 1.00 25.00 O ATOM 338 CB GLU A 23 24.488 -5.177 15.246 1.00 25.00 C ATOM 339 CG GLU A 23 24.472 -6.544 14.590 1.00 25.00 C ATOM 340 CD GLU A 23 25.744 -7.326 14.853 1.00 25.00 C ATOM 341 OE1 GLU A 23 26.552 -6.920 15.722 1.00 25.00 O ATOM 342 OE2 GLU A 23 25.928 -8.383 14.212 1.00 25.00 O ATOM 0 H GLU A 23 24.271 -2.888 16.134 1.00 25.00 H new ATOM 0 HA GLU A 23 23.094 -4.273 13.871 1.00 25.00 H new ATOM 0 HB2 GLU A 23 25.388 -4.650 14.928 1.00 25.00 H new ATOM 0 HB3 GLU A 23 24.562 -5.311 16.325 1.00 25.00 H new ATOM 0 HG2 GLU A 23 23.617 -7.111 14.959 1.00 25.00 H new ATOM 0 HG3 GLU A 23 24.337 -6.427 13.515 1.00 25.00 H new ATOM 349 N LEU A 24 21.373 -5.789 14.882 1.00 25.00 N ATOM 350 CA LEU A 24 20.189 -6.484 15.391 1.00 25.00 C ATOM 351 C LEU A 24 20.513 -7.847 15.976 1.00 25.00 C ATOM 352 O LEU A 24 21.344 -8.591 15.456 1.00 25.00 O ATOM 353 CB LEU A 24 19.160 -6.684 14.281 1.00 25.00 C ATOM 354 CG LEU A 24 18.507 -5.400 13.759 1.00 25.00 C ATOM 355 CD1 LEU A 24 17.527 -5.732 12.649 1.00 25.00 C ATOM 356 CD2 LEU A 24 17.795 -4.661 14.889 1.00 25.00 C ATOM 0 H LEU A 24 21.663 -6.087 13.951 1.00 25.00 H new ATOM 0 HA LEU A 24 19.790 -5.849 16.182 1.00 25.00 H new ATOM 0 HB2 LEU A 24 19.643 -7.192 13.447 1.00 25.00 H new ATOM 0 HB3 LEU A 24 18.377 -7.348 14.648 1.00 25.00 H new ATOM 0 HG LEU A 24 19.286 -4.749 13.362 1.00 25.00 H new ATOM 0 HD11 LEU A 24 17.067 -4.814 12.283 1.00 25.00 H new ATOM 0 HD12 LEU A 24 18.055 -6.224 11.832 1.00 25.00 H new ATOM 0 HD13 LEU A 24 16.754 -6.397 13.033 1.00 25.00 H new ATOM 0 HD21 LEU A 24 17.338 -3.752 14.498 1.00 25.00 H new ATOM 0 HD22 LEU A 24 17.022 -5.302 15.313 1.00 25.00 H new ATOM 0 HD23 LEU A 24 18.516 -4.400 15.664 1.00 25.00 H new ATOM 368 N SER A 25 19.786 -8.196 17.026 1.00 25.00 N ATOM 369 CA SER A 25 19.895 -9.499 17.654 1.00 25.00 C ATOM 370 C SER A 25 18.683 -10.303 17.231 1.00 25.00 C ATOM 371 O SER A 25 17.552 -9.821 17.304 1.00 25.00 O ATOM 372 CB SER A 25 19.903 -9.384 19.180 1.00 25.00 C ATOM 373 OG SER A 25 21.002 -8.633 19.645 1.00 25.00 O ATOM 0 H SER A 25 19.102 -7.580 17.466 1.00 25.00 H new ATOM 0 HA SER A 25 20.828 -9.973 17.349 1.00 25.00 H new ATOM 0 HB2 SER A 25 18.977 -8.916 19.514 1.00 25.00 H new ATOM 0 HB3 SER A 25 19.933 -10.381 19.619 1.00 25.00 H new ATOM 0 HG SER A 25 20.972 -8.580 20.623 1.00 25.00 H new ATOM 379 N PHE A 26 18.931 -11.519 16.792 1.00 25.00 N ATOM 380 CA PHE A 26 17.867 -12.443 16.373 1.00 25.00 C ATOM 381 C PHE A 26 18.286 -13.911 16.474 1.00 25.00 C ATOM 382 O PHE A 26 19.458 -14.227 16.685 1.00 25.00 O ATOM 383 CB PHE A 26 17.427 -12.128 14.943 1.00 25.00 C ATOM 384 CG PHE A 26 18.548 -12.094 13.961 1.00 25.00 C ATOM 385 CD1 PHE A 26 19.035 -10.863 13.501 1.00 25.00 C ATOM 386 CD2 PHE A 26 19.113 -13.285 13.465 1.00 25.00 C ATOM 387 CE1 PHE A 26 20.056 -10.810 12.551 1.00 25.00 C ATOM 388 CE2 PHE A 26 20.150 -13.244 12.508 1.00 25.00 C ATOM 389 CZ PHE A 26 20.615 -12.012 12.043 1.00 25.00 C ATOM 0 H PHE A 26 19.871 -11.906 16.711 1.00 25.00 H new ATOM 0 HA PHE A 26 17.033 -12.296 17.059 1.00 25.00 H new ATOM 0 HB2 PHE A 26 16.700 -12.875 14.624 1.00 25.00 H new ATOM 0 HB3 PHE A 26 16.919 -11.164 14.933 1.00 25.00 H new ATOM 0 HD1 PHE A 26 18.616 -9.945 13.886 1.00 25.00 H new ATOM 0 HD2 PHE A 26 18.750 -14.238 13.820 1.00 25.00 H new ATOM 0 HE1 PHE A 26 20.421 -9.855 12.202 1.00 25.00 H new ATOM 0 HE2 PHE A 26 20.582 -14.162 12.137 1.00 25.00 H new ATOM 0 HZ PHE A 26 21.397 -11.974 11.299 1.00 25.00 H new ATOM 399 N ARG A 27 17.314 -14.801 16.330 1.00 25.00 N ATOM 400 CA ARG A 27 17.518 -16.243 16.433 1.00 25.00 C ATOM 401 C ARG A 27 17.551 -16.869 15.041 1.00 25.00 C ATOM 402 O ARG A 27 16.940 -16.369 14.107 1.00 25.00 O ATOM 403 CB ARG A 27 16.331 -16.818 17.230 1.00 25.00 C ATOM 404 CG ARG A 27 16.517 -18.225 17.787 1.00 25.00 C ATOM 405 CD ARG A 27 17.262 -18.212 19.123 1.00 25.00 C ATOM 406 NE ARG A 27 18.350 -19.201 19.143 1.00 25.00 N ATOM 407 CZ ARG A 27 18.270 -20.455 19.564 1.00 25.00 C ATOM 408 NH1 ARG A 27 17.167 -20.976 20.043 1.00 25.00 N ATOM 409 NH2 ARG A 27 19.338 -21.194 19.499 1.00 25.00 N ATOM 0 H ARG A 27 16.347 -14.540 16.136 1.00 25.00 H new ATOM 0 HA ARG A 27 18.464 -16.461 16.928 1.00 25.00 H new ATOM 0 HB2 ARG A 27 16.117 -16.145 18.061 1.00 25.00 H new ATOM 0 HB3 ARG A 27 15.452 -16.817 16.585 1.00 25.00 H new ATOM 0 HG2 ARG A 27 15.543 -18.696 17.918 1.00 25.00 H new ATOM 0 HG3 ARG A 27 17.069 -18.831 17.068 1.00 25.00 H new ATOM 0 HD2 ARG A 27 17.670 -17.217 19.304 1.00 25.00 H new ATOM 0 HD3 ARG A 27 16.563 -18.422 19.933 1.00 25.00 H new ATOM 0 HE ARG A 27 19.258 -18.890 18.798 1.00 25.00 H new ATOM 0 HH11 ARG A 27 16.320 -20.410 20.104 1.00 25.00 H new ATOM 0 HH12 ARG A 27 17.155 -21.947 20.355 1.00 25.00 H new ATOM 0 HH21 ARG A 27 20.206 -20.804 19.131 1.00 25.00 H new ATOM 0 HH22 ARG A 27 19.308 -22.163 19.816 1.00 25.00 H new ATOM 423 N LYS A 28 18.211 -18.006 14.926 1.00 25.00 N ATOM 424 CA LYS A 28 18.185 -18.813 13.714 1.00 25.00 C ATOM 425 C LYS A 28 16.733 -19.120 13.373 1.00 25.00 C ATOM 426 O LYS A 28 15.968 -19.572 14.218 1.00 25.00 O ATOM 427 CB LYS A 28 18.961 -20.102 13.991 1.00 25.00 C ATOM 428 CG LYS A 28 19.018 -21.099 12.857 1.00 25.00 C ATOM 429 CD LYS A 28 20.088 -22.142 13.181 1.00 25.00 C ATOM 430 CE LYS A 28 20.258 -23.188 12.092 1.00 25.00 C ATOM 431 NZ LYS A 28 21.714 -23.313 11.757 1.00 25.00 N ATOM 0 H LYS A 28 18.784 -18.400 15.672 1.00 25.00 H new ATOM 0 HA LYS A 28 18.641 -18.291 12.873 1.00 25.00 H new ATOM 0 HB2 LYS A 28 19.982 -19.836 14.266 1.00 25.00 H new ATOM 0 HB3 LYS A 28 18.515 -20.592 14.857 1.00 25.00 H new ATOM 0 HG2 LYS A 28 18.048 -21.579 12.726 1.00 25.00 H new ATOM 0 HG3 LYS A 28 19.253 -20.594 11.920 1.00 25.00 H new ATOM 0 HD2 LYS A 28 21.041 -21.637 13.342 1.00 25.00 H new ATOM 0 HD3 LYS A 28 19.829 -22.640 14.116 1.00 25.00 H new ATOM 0 HE2 LYS A 28 19.865 -24.148 12.428 1.00 25.00 H new ATOM 0 HE3 LYS A 28 19.691 -22.904 11.206 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 21.852 -24.107 11.100 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 22.044 -22.433 11.311 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 22.257 -23.485 12.627 1.00 25.00 H new ATOM 445 N GLY A 29 16.361 -18.851 12.132 1.00 25.00 N ATOM 446 CA GLY A 29 15.002 -19.073 11.677 1.00 25.00 C ATOM 447 C GLY A 29 14.129 -17.831 11.684 1.00 25.00 C ATOM 448 O GLY A 29 13.024 -17.881 11.137 1.00 25.00 O ATOM 0 H GLY A 29 16.987 -18.476 11.419 1.00 25.00 H new ATOM 0 HA2 GLY A 29 15.032 -19.476 10.665 1.00 25.00 H new ATOM 0 HA3 GLY A 29 14.539 -19.831 12.309 1.00 25.00 H new ATOM 452 N ASP A 30 14.607 -16.729 12.255 1.00 25.00 N ATOM 453 CA ASP A 30 13.825 -15.486 12.308 1.00 25.00 C ATOM 454 C ASP A 30 13.658 -14.931 10.919 1.00 25.00 C ATOM 455 O ASP A 30 14.481 -15.192 10.039 1.00 25.00 O ATOM 456 CB ASP A 30 14.521 -14.405 13.145 1.00 25.00 C ATOM 457 CG ASP A 30 13.906 -14.247 14.516 1.00 25.00 C ATOM 458 OD1 ASP A 30 12.667 -14.125 14.584 1.00 25.00 O ATOM 459 OD2 ASP A 30 14.652 -14.202 15.519 1.00 25.00 O ATOM 0 H ASP A 30 15.528 -16.666 12.688 1.00 25.00 H new ATOM 0 HA ASP A 30 12.866 -15.735 12.761 1.00 25.00 H new ATOM 0 HB2 ASP A 30 15.576 -14.656 13.251 1.00 25.00 H new ATOM 0 HB3 ASP A 30 14.471 -13.453 12.616 1.00 25.00 H new ATOM 464 N ILE A 31 12.624 -14.125 10.738 1.00 25.00 N ATOM 465 CA ILE A 31 12.385 -13.443 9.473 1.00 25.00 C ATOM 466 C ILE A 31 12.437 -11.952 9.729 1.00 25.00 C ATOM 467 O ILE A 31 11.672 -11.433 10.534 1.00 25.00 O ATOM 468 CB ILE A 31 10.998 -13.782 8.863 1.00 25.00 C ATOM 469 CG1 ILE A 31 10.856 -15.295 8.614 1.00 25.00 C ATOM 470 CG2 ILE A 31 10.795 -13.006 7.542 1.00 25.00 C ATOM 471 CD1 ILE A 31 11.911 -15.905 7.707 1.00 25.00 C ATOM 0 H ILE A 31 11.930 -13.925 11.458 1.00 25.00 H new ATOM 0 HA ILE A 31 13.147 -13.770 8.766 1.00 25.00 H new ATOM 0 HB ILE A 31 10.231 -13.482 9.577 1.00 25.00 H new ATOM 0 HG12 ILE A 31 10.885 -15.809 9.575 1.00 25.00 H new ATOM 0 HG13 ILE A 31 9.874 -15.485 8.181 1.00 25.00 H new ATOM 0 HG21 ILE A 31 9.819 -13.251 7.122 1.00 25.00 H new ATOM 0 HG22 ILE A 31 10.847 -11.935 7.737 1.00 25.00 H new ATOM 0 HG23 ILE A 31 11.575 -13.284 6.833 1.00 25.00 H new ATOM 0 HD11 ILE A 31 11.722 -16.973 7.596 1.00 25.00 H new ATOM 0 HD12 ILE A 31 11.871 -15.426 6.729 1.00 25.00 H new ATOM 0 HD13 ILE A 31 12.898 -15.755 8.145 1.00 25.00 H new ATOM 483 N MET A 32 13.319 -11.266 9.024 1.00 25.00 N ATOM 484 CA MET A 32 13.438 -9.819 9.141 1.00 25.00 C ATOM 485 C MET A 32 13.252 -9.185 7.781 1.00 25.00 C ATOM 486 O MET A 32 13.464 -9.821 6.746 1.00 25.00 O ATOM 487 CB MET A 32 14.791 -9.437 9.741 1.00 25.00 C ATOM 488 CG MET A 32 15.993 -9.931 8.967 1.00 25.00 C ATOM 489 SD MET A 32 17.325 -10.340 10.100 1.00 25.00 S ATOM 490 CE MET A 32 16.692 -11.895 10.839 1.00 25.00 C ATOM 0 H MET A 32 13.968 -11.688 8.360 1.00 25.00 H new ATOM 0 HA MET A 32 12.662 -9.449 9.811 1.00 25.00 H new ATOM 0 HB2 MET A 32 14.846 -8.351 9.815 1.00 25.00 H new ATOM 0 HB3 MET A 32 14.845 -9.828 10.757 1.00 25.00 H new ATOM 0 HG2 MET A 32 15.722 -10.808 8.379 1.00 25.00 H new ATOM 0 HG3 MET A 32 16.324 -9.166 8.265 1.00 25.00 H new ATOM 0 HE1 MET A 32 17.517 -12.444 11.293 1.00 25.00 H new ATOM 0 HE2 MET A 32 15.950 -11.660 11.602 1.00 25.00 H new ATOM 0 HE3 MET A 32 16.233 -12.506 10.062 1.00 25.00 H new ATOM 500 N THR A 33 12.814 -7.941 7.796 1.00 25.00 N ATOM 501 CA THR A 33 12.550 -7.198 6.570 1.00 25.00 C ATOM 502 C THR A 33 13.814 -6.485 6.134 1.00 25.00 C ATOM 503 O THR A 33 14.280 -5.610 6.839 1.00 25.00 O ATOM 504 CB THR A 33 11.461 -6.137 6.806 1.00 25.00 C ATOM 505 OG1 THR A 33 10.263 -6.781 7.247 1.00 25.00 O ATOM 506 CG2 THR A 33 11.162 -5.372 5.546 1.00 25.00 C ATOM 0 H THR A 33 12.631 -7.416 8.651 1.00 25.00 H new ATOM 0 HA THR A 33 12.218 -7.901 5.806 1.00 25.00 H new ATOM 0 HB THR A 33 11.824 -5.439 7.560 1.00 25.00 H new ATOM 0 HG1 THR A 33 9.567 -6.108 7.400 1.00 25.00 H new ATOM 0 HG21 THR A 33 10.389 -4.630 5.746 1.00 25.00 H new ATOM 0 HG22 THR A 33 12.066 -4.870 5.202 1.00 25.00 H new ATOM 0 HG23 THR A 33 10.814 -6.061 4.776 1.00 25.00 H new ATOM 514 N VAL A 34 14.368 -6.852 4.991 1.00 25.00 N ATOM 515 CA VAL A 34 15.576 -6.214 4.472 1.00 25.00 C ATOM 516 C VAL A 34 15.185 -4.922 3.795 1.00 25.00 C ATOM 517 O VAL A 34 14.368 -4.906 2.869 1.00 25.00 O ATOM 518 CB VAL A 34 16.314 -7.102 3.456 1.00 25.00 C ATOM 519 CG1 VAL A 34 17.657 -6.477 3.041 1.00 25.00 C ATOM 520 CG2 VAL A 34 16.548 -8.475 4.049 1.00 25.00 C ATOM 0 H VAL A 34 14.000 -7.595 4.397 1.00 25.00 H new ATOM 0 HA VAL A 34 16.250 -6.038 5.311 1.00 25.00 H new ATOM 0 HB VAL A 34 15.691 -7.189 2.566 1.00 25.00 H new ATOM 0 HG11 VAL A 34 18.155 -7.128 2.322 1.00 25.00 H new ATOM 0 HG12 VAL A 34 17.480 -5.503 2.586 1.00 25.00 H new ATOM 0 HG13 VAL A 34 18.290 -6.357 3.920 1.00 25.00 H new ATOM 0 HG21 VAL A 34 17.071 -9.100 3.325 1.00 25.00 H new ATOM 0 HG22 VAL A 34 17.151 -8.383 4.952 1.00 25.00 H new ATOM 0 HG23 VAL A 34 15.590 -8.932 4.298 1.00 25.00 H new ATOM 530 N LEU A 35 15.755 -3.837 4.278 1.00 25.00 N ATOM 531 CA LEU A 35 15.459 -2.515 3.774 1.00 25.00 C ATOM 532 C LEU A 35 16.499 -2.126 2.744 1.00 25.00 C ATOM 533 O LEU A 35 16.156 -1.719 1.647 1.00 25.00 O ATOM 534 CB LEU A 35 15.452 -1.534 4.938 1.00 25.00 C ATOM 535 CG LEU A 35 14.404 -1.866 6.011 1.00 25.00 C ATOM 536 CD1 LEU A 35 14.663 -1.023 7.218 1.00 25.00 C ATOM 537 CD2 LEU A 35 12.986 -1.636 5.502 1.00 25.00 C ATOM 0 H LEU A 35 16.439 -3.849 5.034 1.00 25.00 H new ATOM 0 HA LEU A 35 14.480 -2.500 3.296 1.00 25.00 H new ATOM 0 HB2 LEU A 35 16.440 -1.521 5.398 1.00 25.00 H new ATOM 0 HB3 LEU A 35 15.265 -0.530 4.556 1.00 25.00 H new ATOM 0 HG LEU A 35 14.489 -2.922 6.266 1.00 25.00 H new ATOM 0 HD11 LEU A 35 13.924 -1.251 7.986 1.00 25.00 H new ATOM 0 HD12 LEU A 35 15.662 -1.233 7.601 1.00 25.00 H new ATOM 0 HD13 LEU A 35 14.592 0.031 6.948 1.00 25.00 H new ATOM 0 HD21 LEU A 35 12.273 -1.882 6.289 1.00 25.00 H new ATOM 0 HD22 LEU A 35 12.867 -0.591 5.217 1.00 25.00 H new ATOM 0 HD23 LEU A 35 12.803 -2.271 4.635 1.00 25.00 H new ATOM 549 N GLU A 36 17.767 -2.332 3.053 1.00 25.00 N ATOM 550 CA GLU A 36 18.823 -2.122 2.061 1.00 25.00 C ATOM 551 C GLU A 36 20.002 -3.022 2.373 1.00 25.00 C ATOM 552 O GLU A 36 20.027 -3.670 3.411 1.00 25.00 O ATOM 553 CB GLU A 36 19.231 -0.640 1.974 1.00 25.00 C ATOM 554 CG GLU A 36 20.204 -0.132 2.959 1.00 25.00 C ATOM 555 CD GLU A 36 20.234 1.394 2.989 1.00 25.00 C ATOM 556 OE1 GLU A 36 19.848 2.026 1.983 1.00 25.00 O ATOM 557 OE2 GLU A 36 20.590 1.960 4.044 1.00 25.00 O ATOM 0 H GLU A 36 18.094 -2.640 3.968 1.00 25.00 H new ATOM 0 HA GLU A 36 18.440 -2.390 1.076 1.00 25.00 H new ATOM 0 HB2 GLU A 36 19.640 -0.464 0.979 1.00 25.00 H new ATOM 0 HB3 GLU A 36 18.326 -0.039 2.058 1.00 25.00 H new ATOM 0 HG2 GLU A 36 19.950 -0.510 3.949 1.00 25.00 H new ATOM 0 HG3 GLU A 36 21.197 -0.511 2.718 1.00 25.00 H new ATOM 564 N ARG A 37 20.968 -3.079 1.473 1.00 25.00 N ATOM 565 CA ARG A 37 22.163 -3.886 1.676 1.00 25.00 C ATOM 566 C ARG A 37 23.322 -2.951 1.517 1.00 25.00 C ATOM 567 O ARG A 37 23.194 -1.966 0.800 1.00 25.00 O ATOM 568 CB ARG A 37 22.290 -4.966 0.613 1.00 25.00 C ATOM 569 CG ARG A 37 21.126 -5.945 0.529 1.00 25.00 C ATOM 570 CD ARG A 37 21.515 -7.119 -0.370 1.00 25.00 C ATOM 571 NE ARG A 37 22.269 -6.653 -1.552 1.00 25.00 N ATOM 572 CZ ARG A 37 21.744 -6.239 -2.698 1.00 25.00 C ATOM 573 NH1 ARG A 37 20.451 -6.243 -2.925 1.00 25.00 N ATOM 574 NH2 ARG A 37 22.541 -5.801 -3.631 1.00 25.00 N ATOM 0 H ARG A 37 20.949 -2.573 0.588 1.00 25.00 H new ATOM 0 HA ARG A 37 22.125 -4.370 2.652 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.407 -4.484 -0.358 1.00 25.00 H new ATOM 0 HB3 ARG A 37 23.204 -5.530 0.801 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.867 -6.305 1.525 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.243 -5.445 0.131 1.00 25.00 H new ATOM 0 HD2 ARG A 37 22.119 -7.829 0.194 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.618 -7.648 -0.692 1.00 25.00 H new ATOM 0 HE ARG A 37 23.286 -6.649 -1.480 1.00 25.00 H new ATOM 0 HH11 ARG A 37 19.808 -6.573 -2.205 1.00 25.00 H new ATOM 0 HH12 ARG A 37 20.089 -5.916 -3.821 1.00 25.00 H new ATOM 0 HH21 ARG A 37 23.549 -5.781 -3.473 1.00 25.00 H new ATOM 0 HH22 ARG A 37 22.157 -5.478 -4.519 1.00 25.00 H new ATOM 588 N ASP A 38 24.431 -3.280 2.163 1.00 25.00 N ATOM 589 CA ASP A 38 25.685 -2.538 2.042 1.00 25.00 C ATOM 590 C ASP A 38 25.430 -1.091 2.484 1.00 25.00 C ATOM 591 O ASP A 38 25.976 -0.112 1.969 1.00 25.00 O ATOM 592 CB ASP A 38 26.228 -2.714 0.619 1.00 25.00 C ATOM 593 CG ASP A 38 26.191 -4.188 0.175 1.00 25.00 C ATOM 594 OD1 ASP A 38 25.499 -4.506 -0.831 1.00 25.00 O ATOM 595 OD2 ASP A 38 26.711 -5.055 0.931 1.00 25.00 O ATOM 0 H ASP A 38 24.490 -4.079 2.794 1.00 25.00 H new ATOM 0 HA ASP A 38 26.471 -2.915 2.696 1.00 25.00 H new ATOM 0 HB2 ASP A 38 25.640 -2.111 -0.072 1.00 25.00 H new ATOM 0 HB3 ASP A 38 27.253 -2.345 0.572 1.00 25.00 H new ATOM 600 N THR A 39 24.535 -1.002 3.459 1.00 25.00 N ATOM 601 CA THR A 39 24.069 0.257 4.030 1.00 25.00 C ATOM 602 C THR A 39 25.222 0.994 4.691 1.00 25.00 C ATOM 603 O THR A 39 26.110 0.376 5.241 1.00 25.00 O ATOM 604 CB THR A 39 22.959 -0.021 5.074 1.00 25.00 C ATOM 605 OG1 THR A 39 22.557 1.192 5.711 1.00 25.00 O ATOM 606 CG2 THR A 39 23.382 -1.016 6.113 1.00 25.00 C ATOM 0 H THR A 39 24.102 -1.821 3.885 1.00 25.00 H new ATOM 0 HA THR A 39 23.666 0.878 3.230 1.00 25.00 H new ATOM 0 HB THR A 39 22.118 -0.450 4.529 1.00 25.00 H new ATOM 0 HG1 THR A 39 21.689 1.476 5.356 1.00 25.00 H new ATOM 0 HG21 THR A 39 22.567 -1.174 6.819 1.00 25.00 H new ATOM 0 HG22 THR A 39 23.632 -1.961 5.631 1.00 25.00 H new ATOM 0 HG23 THR A 39 24.255 -0.638 6.645 1.00 25.00 H new ATOM 614 N GLN A 40 25.206 2.321 4.612 1.00 25.00 N ATOM 615 CA GLN A 40 26.250 3.202 5.179 1.00 25.00 C ATOM 616 C GLN A 40 27.652 2.936 4.614 1.00 25.00 C ATOM 617 O GLN A 40 28.641 3.451 5.122 1.00 25.00 O ATOM 618 CB GLN A 40 26.288 3.119 6.714 1.00 25.00 C ATOM 619 CG GLN A 40 24.929 2.919 7.360 1.00 25.00 C ATOM 620 CD GLN A 40 24.976 3.009 8.871 1.00 25.00 C ATOM 621 OE1 GLN A 40 25.703 3.806 9.439 1.00 25.00 O ATOM 622 NE2 GLN A 40 24.197 2.184 9.521 1.00 25.00 N ATOM 0 H GLN A 40 24.458 2.834 4.146 1.00 25.00 H new ATOM 0 HA GLN A 40 25.965 4.210 4.877 1.00 25.00 H new ATOM 0 HB2 GLN A 40 26.941 2.297 7.006 1.00 25.00 H new ATOM 0 HB3 GLN A 40 26.733 4.034 7.105 1.00 25.00 H new ATOM 0 HG2 GLN A 40 24.237 3.669 6.978 1.00 25.00 H new ATOM 0 HG3 GLN A 40 24.535 1.945 7.071 1.00 25.00 H new ATOM 0 HE21 GLN A 40 23.603 1.532 9.008 1.00 25.00 H new ATOM 0 HE22 GLN A 40 24.183 2.192 10.541 1.00 25.00 H new ATOM 631 N GLY A 41 27.723 2.121 3.572 1.00 25.00 N ATOM 632 CA GLY A 41 29.002 1.735 2.996 1.00 25.00 C ATOM 633 C GLY A 41 29.609 0.574 3.760 1.00 25.00 C ATOM 634 O GLY A 41 30.801 0.292 3.647 1.00 25.00 O ATOM 0 H GLY A 41 26.910 1.715 3.108 1.00 25.00 H new ATOM 0 HA2 GLY A 41 28.866 1.457 1.951 1.00 25.00 H new ATOM 0 HA3 GLY A 41 29.685 2.584 3.014 1.00 25.00 H new ATOM 638 N LEU A 42 28.792 -0.093 4.562 1.00 25.00 N ATOM 639 CA LEU A 42 29.226 -1.229 5.343 1.00 25.00 C ATOM 640 C LEU A 42 28.977 -2.460 4.492 1.00 25.00 C ATOM 641 O LEU A 42 27.915 -3.069 4.550 1.00 25.00 O ATOM 642 CB LEU A 42 28.426 -1.299 6.639 1.00 25.00 C ATOM 643 CG LEU A 42 28.482 -0.071 7.545 1.00 25.00 C ATOM 644 CD1 LEU A 42 27.366 -0.172 8.547 1.00 25.00 C ATOM 645 CD2 LEU A 42 29.801 0.027 8.269 1.00 25.00 C ATOM 0 H LEU A 42 27.808 0.144 4.686 1.00 25.00 H new ATOM 0 HA LEU A 42 30.280 -1.153 5.611 1.00 25.00 H new ATOM 0 HB2 LEU A 42 27.383 -1.488 6.385 1.00 25.00 H new ATOM 0 HB3 LEU A 42 28.776 -2.159 7.209 1.00 25.00 H new ATOM 0 HG LEU A 42 28.376 0.823 6.931 1.00 25.00 H new ATOM 0 HD11 LEU A 42 27.388 0.697 9.205 1.00 25.00 H new ATOM 0 HD12 LEU A 42 26.410 -0.207 8.025 1.00 25.00 H new ATOM 0 HD13 LEU A 42 27.490 -1.079 9.139 1.00 25.00 H new ATOM 0 HD21 LEU A 42 29.803 0.913 8.904 1.00 25.00 H new ATOM 0 HD22 LEU A 42 29.945 -0.861 8.885 1.00 25.00 H new ATOM 0 HD23 LEU A 42 30.610 0.099 7.542 1.00 25.00 H new ATOM 657 N ASP A 43 29.936 -2.787 3.652 1.00 25.00 N ATOM 658 CA ASP A 43 29.791 -3.918 2.737 1.00 25.00 C ATOM 659 C ASP A 43 29.496 -5.189 3.522 1.00 25.00 C ATOM 660 O ASP A 43 30.162 -5.508 4.512 1.00 25.00 O ATOM 661 CB ASP A 43 31.058 -4.137 1.910 1.00 25.00 C ATOM 662 CG ASP A 43 31.082 -3.306 0.632 1.00 25.00 C ATOM 663 OD1 ASP A 43 31.858 -3.667 -0.281 1.00 25.00 O ATOM 664 OD2 ASP A 43 30.325 -2.320 0.527 1.00 25.00 O ATOM 0 H ASP A 43 30.825 -2.292 3.578 1.00 25.00 H new ATOM 0 HA ASP A 43 28.966 -3.688 2.062 1.00 25.00 H new ATOM 0 HB2 ASP A 43 31.929 -3.888 2.516 1.00 25.00 H new ATOM 0 HB3 ASP A 43 31.140 -5.193 1.653 1.00 25.00 H new ATOM 669 N GLY A 44 28.472 -5.907 3.091 1.00 25.00 N ATOM 670 CA GLY A 44 28.083 -7.135 3.761 1.00 25.00 C ATOM 671 C GLY A 44 27.091 -6.933 4.891 1.00 25.00 C ATOM 672 O GLY A 44 26.468 -7.902 5.323 1.00 25.00 O ATOM 0 H GLY A 44 27.898 -5.662 2.284 1.00 25.00 H new ATOM 0 HA2 GLY A 44 27.650 -7.815 3.028 1.00 25.00 H new ATOM 0 HA3 GLY A 44 28.976 -7.619 4.157 1.00 25.00 H new ATOM 676 N TRP A 45 26.909 -5.709 5.365 1.00 25.00 N ATOM 677 CA TRP A 45 25.933 -5.422 6.395 1.00 25.00 C ATOM 678 C TRP A 45 24.632 -5.021 5.719 1.00 25.00 C ATOM 679 O TRP A 45 24.618 -4.195 4.816 1.00 25.00 O ATOM 680 CB TRP A 45 26.470 -4.284 7.246 1.00 25.00 C ATOM 681 CG TRP A 45 27.554 -4.743 8.173 1.00 25.00 C ATOM 682 CD1 TRP A 45 28.894 -4.569 8.038 1.00 25.00 C ATOM 683 CD2 TRP A 45 27.386 -5.468 9.397 1.00 25.00 C ATOM 684 NE1 TRP A 45 29.581 -5.107 9.085 1.00 25.00 N ATOM 685 CE2 TRP A 45 28.684 -5.689 9.943 1.00 25.00 C ATOM 686 CE3 TRP A 45 26.267 -5.946 10.097 1.00 25.00 C ATOM 687 CZ2 TRP A 45 28.877 -6.382 11.155 1.00 25.00 C ATOM 688 CZ3 TRP A 45 26.454 -6.623 11.312 1.00 25.00 C ATOM 689 CH2 TRP A 45 27.754 -6.841 11.828 1.00 25.00 C ATOM 0 H TRP A 45 27.433 -4.894 5.046 1.00 25.00 H new ATOM 0 HA TRP A 45 25.750 -6.289 7.029 1.00 25.00 H new ATOM 0 HB2 TRP A 45 26.856 -3.497 6.598 1.00 25.00 H new ATOM 0 HB3 TRP A 45 25.656 -3.849 7.826 1.00 25.00 H new ATOM 0 HD1 TRP A 45 29.359 -4.066 7.203 1.00 25.00 H new ATOM 0 HE1 TRP A 45 30.593 -5.081 9.209 1.00 25.00 H new ATOM 0 HE3 TRP A 45 25.272 -5.794 9.705 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 29.869 -6.551 11.548 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 25.595 -6.982 11.860 1.00 25.00 H new ATOM 0 HH2 TRP A 45 27.874 -7.373 12.760 1.00 25.00 H new ATOM 700 N TRP A 46 23.533 -5.634 6.122 1.00 25.00 N ATOM 701 CA TRP A 46 22.239 -5.376 5.495 1.00 25.00 C ATOM 702 C TRP A 46 21.324 -4.713 6.510 1.00 25.00 C ATOM 703 O TRP A 46 21.148 -5.219 7.612 1.00 25.00 O ATOM 704 CB TRP A 46 21.619 -6.689 4.982 1.00 25.00 C ATOM 705 CG TRP A 46 22.456 -7.387 3.907 1.00 25.00 C ATOM 706 CD1 TRP A 46 23.603 -6.935 3.323 1.00 25.00 C ATOM 707 CD2 TRP A 46 22.214 -8.677 3.299 1.00 25.00 C ATOM 708 NE1 TRP A 46 24.097 -7.819 2.419 1.00 25.00 N ATOM 709 CE2 TRP A 46 23.279 -8.912 2.375 1.00 25.00 C ATOM 710 CE3 TRP A 46 21.209 -9.662 3.437 1.00 25.00 C ATOM 711 CZ2 TRP A 46 23.360 -10.086 1.600 1.00 25.00 C ATOM 712 CZ3 TRP A 46 21.306 -10.851 2.676 1.00 25.00 C ATOM 713 CH2 TRP A 46 22.375 -11.044 1.758 1.00 25.00 C ATOM 0 H TRP A 46 23.506 -6.315 6.881 1.00 25.00 H new ATOM 0 HA TRP A 46 22.372 -4.713 4.640 1.00 25.00 H new ATOM 0 HB2 TRP A 46 21.484 -7.369 5.823 1.00 25.00 H new ATOM 0 HB3 TRP A 46 20.628 -6.479 4.579 1.00 25.00 H new ATOM 0 HD1 TRP A 46 24.064 -5.986 3.553 1.00 25.00 H new ATOM 0 HE1 TRP A 46 24.942 -7.688 1.863 1.00 25.00 H new ATOM 0 HE3 TRP A 46 20.380 -9.509 4.113 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 24.170 -10.234 0.901 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 20.559 -11.622 2.794 1.00 25.00 H new ATOM 0 HH2 TRP A 46 22.418 -11.952 1.175 1.00 25.00 H new ATOM 724 N LEU A 47 20.756 -3.577 6.143 1.00 25.00 N ATOM 725 CA LEU A 47 19.828 -2.864 7.010 1.00 25.00 C ATOM 726 C LEU A 47 18.536 -3.637 7.001 1.00 25.00 C ATOM 727 O LEU A 47 17.939 -3.828 5.945 1.00 25.00 O ATOM 728 CB LEU A 47 19.569 -1.453 6.478 1.00 25.00 C ATOM 729 CG LEU A 47 18.554 -0.604 7.253 1.00 25.00 C ATOM 730 CD1 LEU A 47 18.955 -0.416 8.703 1.00 25.00 C ATOM 731 CD2 LEU A 47 18.383 0.749 6.574 1.00 25.00 C ATOM 0 H LEU A 47 20.922 -3.124 5.244 1.00 25.00 H new ATOM 0 HA LEU A 47 20.241 -2.778 8.015 1.00 25.00 H new ATOM 0 HB2 LEU A 47 20.518 -0.917 6.458 1.00 25.00 H new ATOM 0 HB3 LEU A 47 19.228 -1.535 5.446 1.00 25.00 H new ATOM 0 HG LEU A 47 17.604 -1.139 7.247 1.00 25.00 H new ATOM 0 HD11 LEU A 47 18.206 0.191 9.212 1.00 25.00 H new ATOM 0 HD12 LEU A 47 19.025 -1.389 9.190 1.00 25.00 H new ATOM 0 HD13 LEU A 47 19.922 0.085 8.751 1.00 25.00 H new ATOM 0 HD21 LEU A 47 17.661 1.346 7.130 1.00 25.00 H new ATOM 0 HD22 LEU A 47 19.341 1.268 6.550 1.00 25.00 H new ATOM 0 HD23 LEU A 47 18.025 0.602 5.555 1.00 25.00 H new ATOM 743 N CYS A 48 18.098 -4.086 8.162 1.00 25.00 N ATOM 744 CA CYS A 48 16.854 -4.819 8.268 1.00 25.00 C ATOM 745 C CYS A 48 16.046 -4.338 9.446 1.00 25.00 C ATOM 746 O CYS A 48 16.520 -3.554 10.263 1.00 25.00 O ATOM 747 CB CYS A 48 17.124 -6.327 8.407 1.00 25.00 C ATOM 748 SG CYS A 48 18.330 -6.982 7.222 1.00 25.00 S ATOM 0 H CYS A 48 18.588 -3.955 9.047 1.00 25.00 H new ATOM 0 HA CYS A 48 16.284 -4.642 7.356 1.00 25.00 H new ATOM 0 HB2 CYS A 48 17.479 -6.529 9.418 1.00 25.00 H new ATOM 0 HB3 CYS A 48 16.184 -6.865 8.286 1.00 25.00 H new ATOM 0 HG CYS A 48 19.466 -6.369 7.376 1.00 25.00 H new ATOM 754 N SER A 49 14.821 -4.827 9.529 1.00 25.00 N ATOM 755 CA SER A 49 13.939 -4.516 10.637 1.00 25.00 C ATOM 756 C SER A 49 13.459 -5.822 11.275 1.00 25.00 C ATOM 757 O SER A 49 12.934 -6.704 10.580 1.00 25.00 O ATOM 758 CB SER A 49 12.779 -3.659 10.129 1.00 25.00 C ATOM 759 OG SER A 49 11.553 -4.372 10.107 1.00 25.00 O ATOM 0 H SER A 49 14.412 -5.449 8.832 1.00 25.00 H new ATOM 0 HA SER A 49 14.462 -3.944 11.403 1.00 25.00 H new ATOM 0 HB2 SER A 49 12.674 -2.780 10.765 1.00 25.00 H new ATOM 0 HB3 SER A 49 13.007 -3.301 9.125 1.00 25.00 H new ATOM 0 HG SER A 49 10.840 -3.786 9.778 1.00 25.00 H new ATOM 765 N LEU A 50 13.688 -5.959 12.577 1.00 25.00 N ATOM 766 CA LEU A 50 13.336 -7.161 13.345 1.00 25.00 C ATOM 767 C LEU A 50 13.037 -6.680 14.756 1.00 25.00 C ATOM 768 O LEU A 50 13.661 -5.733 15.211 1.00 25.00 O ATOM 769 CB LEU A 50 14.529 -8.142 13.367 1.00 25.00 C ATOM 770 CG LEU A 50 14.376 -9.609 13.839 1.00 25.00 C ATOM 771 CD1 LEU A 50 14.399 -9.786 15.338 1.00 25.00 C ATOM 772 CD2 LEU A 50 13.121 -10.253 13.272 1.00 25.00 C ATOM 0 H LEU A 50 14.129 -5.232 13.141 1.00 25.00 H new ATOM 0 HA LEU A 50 12.485 -7.682 12.907 1.00 25.00 H new ATOM 0 HB2 LEU A 50 14.925 -8.178 12.352 1.00 25.00 H new ATOM 0 HB3 LEU A 50 15.297 -7.689 13.993 1.00 25.00 H new ATOM 0 HG LEU A 50 15.259 -10.114 13.448 1.00 25.00 H new ATOM 0 HD11 LEU A 50 14.286 -10.842 15.581 1.00 25.00 H new ATOM 0 HD12 LEU A 50 15.348 -9.422 15.733 1.00 25.00 H new ATOM 0 HD13 LEU A 50 13.580 -9.221 15.784 1.00 25.00 H new ATOM 0 HD21 LEU A 50 13.048 -11.282 13.625 1.00 25.00 H new ATOM 0 HD22 LEU A 50 12.245 -9.694 13.600 1.00 25.00 H new ATOM 0 HD23 LEU A 50 13.169 -10.246 12.183 1.00 25.00 H new ATOM 784 N HIS A 51 12.089 -7.315 15.436 1.00 25.00 N ATOM 785 CA HIS A 51 11.750 -6.989 16.835 1.00 25.00 C ATOM 786 C HIS A 51 11.305 -5.524 17.017 1.00 25.00 C ATOM 787 O HIS A 51 11.420 -4.955 18.097 1.00 25.00 O ATOM 788 CB HIS A 51 12.967 -7.299 17.737 1.00 25.00 C ATOM 789 CG HIS A 51 12.742 -8.434 18.682 1.00 25.00 C ATOM 790 ND1 HIS A 51 12.057 -8.331 19.865 1.00 25.00 N ATOM 791 CD2 HIS A 51 13.146 -9.734 18.618 1.00 25.00 C ATOM 792 CE1 HIS A 51 12.064 -9.523 20.455 1.00 25.00 C ATOM 793 NE2 HIS A 51 12.709 -10.417 19.735 1.00 25.00 N ATOM 0 H HIS A 51 11.529 -8.071 15.042 1.00 25.00 H new ATOM 0 HA HIS A 51 10.899 -7.607 17.123 1.00 25.00 H new ATOM 0 HB2 HIS A 51 13.826 -7.528 17.106 1.00 25.00 H new ATOM 0 HB3 HIS A 51 13.220 -6.407 18.309 1.00 25.00 H new ATOM 0 HD2 HIS A 51 13.722 -10.166 17.813 1.00 25.00 H new ATOM 0 HE1 HIS A 51 11.598 -9.732 21.407 1.00 25.00 H new ATOM 0 HE2 HIS A 51 12.854 -11.402 19.955 1.00 25.00 H new ATOM 801 N GLY A 52 10.755 -4.934 15.960 1.00 25.00 N ATOM 802 CA GLY A 52 10.311 -3.547 16.022 1.00 25.00 C ATOM 803 C GLY A 52 11.471 -2.566 16.084 1.00 25.00 C ATOM 804 O GLY A 52 11.307 -1.422 16.493 1.00 25.00 O ATOM 0 H GLY A 52 10.607 -5.390 15.059 1.00 25.00 H new ATOM 0 HA2 GLY A 52 9.699 -3.326 15.148 1.00 25.00 H new ATOM 0 HA3 GLY A 52 9.677 -3.411 16.898 1.00 25.00 H new ATOM 808 N ARG A 53 12.652 -3.025 15.694 1.00 25.00 N ATOM 809 CA ARG A 53 13.873 -2.239 15.757 1.00 25.00 C ATOM 810 C ARG A 53 14.518 -2.341 14.387 1.00 25.00 C ATOM 811 O ARG A 53 14.381 -3.355 13.712 1.00 25.00 O ATOM 812 CB ARG A 53 14.779 -2.844 16.841 1.00 25.00 C ATOM 813 CG ARG A 53 15.629 -1.851 17.631 1.00 25.00 C ATOM 814 CD ARG A 53 16.902 -1.449 16.896 1.00 25.00 C ATOM 815 NE ARG A 53 17.961 -1.054 17.834 1.00 25.00 N ATOM 816 CZ ARG A 53 19.200 -0.706 17.497 1.00 25.00 C ATOM 817 NH1 ARG A 53 19.611 -0.637 16.255 1.00 25.00 N ATOM 818 NH2 ARG A 53 20.037 -0.419 18.445 1.00 25.00 N ATOM 0 H ARG A 53 12.789 -3.964 15.321 1.00 25.00 H new ATOM 0 HA ARG A 53 13.691 -1.194 16.008 1.00 25.00 H new ATOM 0 HB2 ARG A 53 14.154 -3.396 17.543 1.00 25.00 H new ATOM 0 HB3 ARG A 53 15.444 -3.567 16.369 1.00 25.00 H new ATOM 0 HG2 ARG A 53 15.038 -0.959 17.840 1.00 25.00 H new ATOM 0 HG3 ARG A 53 15.893 -2.290 18.593 1.00 25.00 H new ATOM 0 HD2 ARG A 53 17.248 -2.281 16.283 1.00 25.00 H new ATOM 0 HD3 ARG A 53 16.687 -0.623 16.219 1.00 25.00 H new ATOM 0 HE ARG A 53 17.727 -1.046 18.827 1.00 25.00 H new ATOM 0 HH11 ARG A 53 18.970 -0.856 15.493 1.00 25.00 H new ATOM 0 HH12 ARG A 53 20.572 -0.365 16.050 1.00 25.00 H new ATOM 0 HH21 ARG A 53 19.739 -0.463 19.419 1.00 25.00 H new ATOM 0 HH22 ARG A 53 20.994 -0.149 18.216 1.00 25.00 H new ATOM 832 N GLN A 54 15.207 -1.297 13.972 1.00 25.00 N ATOM 833 CA GLN A 54 15.902 -1.291 12.693 1.00 25.00 C ATOM 834 C GLN A 54 17.389 -1.317 12.979 1.00 25.00 C ATOM 835 O GLN A 54 17.826 -0.723 13.957 1.00 25.00 O ATOM 836 CB GLN A 54 15.547 -0.026 11.922 1.00 25.00 C ATOM 837 CG GLN A 54 14.849 -0.298 10.633 1.00 25.00 C ATOM 838 CD GLN A 54 14.471 0.979 9.911 1.00 25.00 C ATOM 839 OE1 GLN A 54 13.307 1.321 9.816 1.00 25.00 O ATOM 840 NE2 GLN A 54 15.451 1.688 9.412 1.00 25.00 N ATOM 0 H GLN A 54 15.303 -0.433 14.505 1.00 25.00 H new ATOM 0 HA GLN A 54 15.612 -2.154 12.094 1.00 25.00 H new ATOM 0 HB2 GLN A 54 14.913 0.605 12.545 1.00 25.00 H new ATOM 0 HB3 GLN A 54 16.459 0.537 11.722 1.00 25.00 H new ATOM 0 HG2 GLN A 54 15.493 -0.900 9.992 1.00 25.00 H new ATOM 0 HG3 GLN A 54 13.951 -0.886 10.824 1.00 25.00 H new ATOM 0 HE21 GLN A 54 16.414 1.368 9.512 1.00 25.00 H new ATOM 0 HE22 GLN A 54 15.252 2.561 8.923 1.00 25.00 H new ATOM 849 N GLY A 55 18.158 -2.002 12.152 1.00 25.00 N ATOM 850 CA GLY A 55 19.591 -2.061 12.362 1.00 25.00 C ATOM 851 C GLY A 55 20.296 -2.910 11.330 1.00 25.00 C ATOM 852 O GLY A 55 19.646 -3.491 10.459 1.00 25.00 O ATOM 0 H GLY A 55 17.820 -2.518 11.340 1.00 25.00 H new ATOM 0 HA2 GLY A 55 20.000 -1.051 12.337 1.00 25.00 H new ATOM 0 HA3 GLY A 55 19.793 -2.462 13.355 1.00 25.00 H new ATOM 856 N ILE A 56 21.615 -2.973 11.406 1.00 25.00 N ATOM 857 CA ILE A 56 22.409 -3.736 10.444 1.00 25.00 C ATOM 858 C ILE A 56 22.495 -5.198 10.868 1.00 25.00 C ATOM 859 O ILE A 56 22.333 -5.544 12.039 1.00 25.00 O ATOM 860 CB ILE A 56 23.839 -3.130 10.261 1.00 25.00 C ATOM 861 CG1 ILE A 56 24.637 -3.233 11.578 1.00 25.00 C ATOM 862 CG2 ILE A 56 23.713 -1.658 9.830 1.00 25.00 C ATOM 863 CD1 ILE A 56 26.053 -2.681 11.508 1.00 25.00 C ATOM 0 H ILE A 56 22.165 -2.504 12.126 1.00 25.00 H new ATOM 0 HA ILE A 56 21.905 -3.678 9.479 1.00 25.00 H new ATOM 0 HB ILE A 56 24.373 -3.689 9.492 1.00 25.00 H new ATOM 0 HG12 ILE A 56 24.093 -2.702 12.359 1.00 25.00 H new ATOM 0 HG13 ILE A 56 24.684 -4.280 11.878 1.00 25.00 H new ATOM 0 HG21 ILE A 56 24.707 -1.230 9.701 1.00 25.00 H new ATOM 0 HG22 ILE A 56 23.168 -1.600 8.888 1.00 25.00 H new ATOM 0 HG23 ILE A 56 23.174 -1.100 10.596 1.00 25.00 H new ATOM 0 HD11 ILE A 56 26.537 -2.796 12.478 1.00 25.00 H new ATOM 0 HD12 ILE A 56 26.619 -3.227 10.753 1.00 25.00 H new ATOM 0 HD13 ILE A 56 26.019 -1.624 11.242 1.00 25.00 H new ATOM 875 N VAL A 57 22.706 -6.057 9.887 1.00 25.00 N ATOM 876 CA VAL A 57 22.793 -7.501 10.101 1.00 25.00 C ATOM 877 C VAL A 57 23.873 -8.056 9.182 1.00 25.00 C ATOM 878 O VAL A 57 23.954 -7.653 8.024 1.00 25.00 O ATOM 879 CB VAL A 57 21.457 -8.195 9.720 1.00 25.00 C ATOM 880 CG1 VAL A 57 21.546 -9.681 9.857 1.00 25.00 C ATOM 881 CG2 VAL A 57 20.305 -7.635 10.550 1.00 25.00 C ATOM 0 H VAL A 57 22.823 -5.777 8.913 1.00 25.00 H new ATOM 0 HA VAL A 57 23.015 -7.687 11.152 1.00 25.00 H new ATOM 0 HB VAL A 57 21.260 -7.980 8.670 1.00 25.00 H new ATOM 0 HG11 VAL A 57 20.592 -10.130 9.581 1.00 25.00 H new ATOM 0 HG12 VAL A 57 22.329 -10.061 9.200 1.00 25.00 H new ATOM 0 HG13 VAL A 57 21.783 -9.938 10.890 1.00 25.00 H new ATOM 0 HG21 VAL A 57 19.378 -8.134 10.268 1.00 25.00 H new ATOM 0 HG22 VAL A 57 20.502 -7.806 11.608 1.00 25.00 H new ATOM 0 HG23 VAL A 57 20.211 -6.565 10.367 1.00 25.00 H new ATOM 891 N PRO A 58 24.694 -9.002 9.660 1.00 25.00 N ATOM 892 CA PRO A 58 25.666 -9.580 8.733 1.00 25.00 C ATOM 893 C PRO A 58 24.980 -10.462 7.684 1.00 25.00 C ATOM 894 O PRO A 58 24.334 -11.465 8.009 1.00 25.00 O ATOM 895 CB PRO A 58 26.574 -10.390 9.660 1.00 25.00 C ATOM 896 CG PRO A 58 25.699 -10.786 10.792 1.00 25.00 C ATOM 897 CD PRO A 58 24.768 -9.627 10.993 1.00 25.00 C ATOM 0 HA PRO A 58 26.210 -8.836 8.151 1.00 25.00 H new ATOM 0 HB2 PRO A 58 26.982 -11.263 9.151 1.00 25.00 H new ATOM 0 HB3 PRO A 58 27.421 -9.796 10.003 1.00 25.00 H new ATOM 0 HG2 PRO A 58 25.148 -11.699 10.564 1.00 25.00 H new ATOM 0 HG3 PRO A 58 26.283 -10.983 11.691 1.00 25.00 H new ATOM 0 HD2 PRO A 58 23.787 -9.956 11.336 1.00 25.00 H new ATOM 0 HD3 PRO A 58 25.150 -8.932 11.740 1.00 25.00 H new ATOM 905 N GLY A 59 25.133 -10.100 6.418 1.00 25.00 N ATOM 906 CA GLY A 59 24.522 -10.848 5.330 1.00 25.00 C ATOM 907 C GLY A 59 25.021 -12.276 5.268 1.00 25.00 C ATOM 908 O GLY A 59 24.327 -13.166 4.800 1.00 25.00 O ATOM 0 H GLY A 59 25.677 -9.290 6.119 1.00 25.00 H new ATOM 0 HA2 GLY A 59 23.439 -10.848 5.455 1.00 25.00 H new ATOM 0 HA3 GLY A 59 24.734 -10.349 4.384 1.00 25.00 H new ATOM 912 N ASN A 60 26.210 -12.504 5.810 1.00 25.00 N ATOM 913 CA ASN A 60 26.812 -13.839 5.859 1.00 25.00 C ATOM 914 C ASN A 60 26.028 -14.828 6.742 1.00 25.00 C ATOM 915 O ASN A 60 26.288 -16.026 6.724 1.00 25.00 O ATOM 916 CB ASN A 60 28.254 -13.720 6.371 1.00 25.00 C ATOM 917 CG ASN A 60 29.113 -14.898 5.970 1.00 25.00 C ATOM 918 OD1 ASN A 60 28.916 -15.495 4.929 1.00 25.00 O ATOM 919 ND2 ASN A 60 30.088 -15.205 6.774 1.00 25.00 N ATOM 0 H ASN A 60 26.787 -11.774 6.228 1.00 25.00 H new ATOM 0 HA ASN A 60 26.789 -14.241 4.846 1.00 25.00 H new ATOM 0 HB2 ASN A 60 28.698 -12.803 5.984 1.00 25.00 H new ATOM 0 HB3 ASN A 60 28.244 -13.636 7.458 1.00 25.00 H new ATOM 0 HD21 ASN A 60 30.720 -15.971 6.540 1.00 25.00 H new ATOM 0 HD22 ASN A 60 30.221 -14.680 7.639 1.00 25.00 H new ATOM 926 N ARG A 61 25.064 -14.328 7.512 1.00 25.00 N ATOM 927 CA ARG A 61 24.213 -15.178 8.354 1.00 25.00 C ATOM 928 C ARG A 61 22.748 -15.081 7.923 1.00 25.00 C ATOM 929 O ARG A 61 21.855 -15.579 8.620 1.00 25.00 O ATOM 930 CB ARG A 61 24.360 -14.770 9.826 1.00 25.00 C ATOM 931 CG ARG A 61 25.770 -14.987 10.375 1.00 25.00 C ATOM 932 CD ARG A 61 25.860 -14.587 11.840 1.00 25.00 C ATOM 933 NE ARG A 61 27.172 -14.940 12.409 1.00 25.00 N ATOM 934 CZ ARG A 61 27.558 -14.708 13.659 1.00 25.00 C ATOM 935 NH1 ARG A 61 26.805 -14.093 14.531 1.00 25.00 N ATOM 936 NH2 ARG A 61 28.738 -15.112 14.032 1.00 25.00 N ATOM 0 H ARG A 61 24.849 -13.333 7.573 1.00 25.00 H new ATOM 0 HA ARG A 61 24.534 -16.213 8.235 1.00 25.00 H new ATOM 0 HB2 ARG A 61 24.094 -13.718 9.933 1.00 25.00 H new ATOM 0 HB3 ARG A 61 23.652 -15.341 10.427 1.00 25.00 H new ATOM 0 HG2 ARG A 61 26.048 -16.035 10.264 1.00 25.00 H new ATOM 0 HG3 ARG A 61 26.483 -14.404 9.792 1.00 25.00 H new ATOM 0 HD2 ARG A 61 25.695 -13.514 11.937 1.00 25.00 H new ATOM 0 HD3 ARG A 61 25.070 -15.083 12.404 1.00 25.00 H new ATOM 0 HE ARG A 61 27.840 -15.401 11.792 1.00 25.00 H new ATOM 0 HH11 ARG A 61 25.876 -13.768 14.263 1.00 25.00 H new ATOM 0 HH12 ARG A 61 27.146 -13.938 15.480 1.00 25.00 H new ATOM 0 HH21 ARG A 61 29.345 -15.595 13.370 1.00 25.00 H new ATOM 0 HH22 ARG A 61 29.056 -14.945 14.987 1.00 25.00 H new ATOM 950 N LEU A 62 22.501 -14.455 6.778 1.00 25.00 N ATOM 951 CA LEU A 62 21.142 -14.266 6.270 1.00 25.00 C ATOM 952 C LEU A 62 20.921 -14.869 4.902 1.00 25.00 C ATOM 953 O LEU A 62 21.820 -14.955 4.077 1.00 25.00 O ATOM 954 CB LEU A 62 20.820 -12.779 6.148 1.00 25.00 C ATOM 955 CG LEU A 62 20.064 -12.148 7.314 1.00 25.00 C ATOM 956 CD1 LEU A 62 19.829 -10.685 6.979 1.00 25.00 C ATOM 957 CD2 LEU A 62 18.736 -12.825 7.615 1.00 25.00 C ATOM 0 H LEU A 62 23.228 -14.066 6.178 1.00 25.00 H new ATOM 0 HA LEU A 62 20.497 -14.769 6.990 1.00 25.00 H new ATOM 0 HB2 LEU A 62 21.756 -12.237 6.015 1.00 25.00 H new ATOM 0 HB3 LEU A 62 20.234 -12.630 5.241 1.00 25.00 H new ATOM 0 HG LEU A 62 20.671 -12.267 8.211 1.00 25.00 H new ATOM 0 HD11 LEU A 62 19.289 -10.207 7.796 1.00 25.00 H new ATOM 0 HD12 LEU A 62 20.787 -10.186 6.836 1.00 25.00 H new ATOM 0 HD13 LEU A 62 19.241 -10.611 6.064 1.00 25.00 H new ATOM 0 HD21 LEU A 62 18.254 -12.324 8.455 1.00 25.00 H new ATOM 0 HD22 LEU A 62 18.091 -12.766 6.739 1.00 25.00 H new ATOM 0 HD23 LEU A 62 18.910 -13.871 7.868 1.00 25.00 H new ATOM 969 N LYS A 63 19.673 -15.222 4.650 1.00 25.00 N ATOM 970 CA LYS A 63 19.256 -15.698 3.330 1.00 25.00 C ATOM 971 C LYS A 63 18.048 -14.933 2.869 1.00 25.00 C ATOM 972 O LYS A 63 16.997 -14.981 3.498 1.00 25.00 O ATOM 973 CB LYS A 63 18.932 -17.193 3.356 1.00 25.00 C ATOM 974 CG LYS A 63 18.326 -17.702 2.044 1.00 25.00 C ATOM 975 CD LYS A 63 18.375 -19.219 1.931 1.00 25.00 C ATOM 976 CE LYS A 63 17.506 -19.922 2.970 1.00 25.00 C ATOM 977 NZ LYS A 63 17.694 -21.414 2.868 1.00 25.00 N ATOM 0 H LYS A 63 18.923 -15.190 5.341 1.00 25.00 H new ATOM 0 HA LYS A 63 20.083 -15.537 2.638 1.00 25.00 H new ATOM 0 HB2 LYS A 63 19.843 -17.752 3.569 1.00 25.00 H new ATOM 0 HB3 LYS A 63 18.237 -17.394 4.172 1.00 25.00 H new ATOM 0 HG2 LYS A 63 17.291 -17.368 1.972 1.00 25.00 H new ATOM 0 HG3 LYS A 63 18.862 -17.261 1.204 1.00 25.00 H new ATOM 0 HD2 LYS A 63 18.050 -19.514 0.933 1.00 25.00 H new ATOM 0 HD3 LYS A 63 19.407 -19.553 2.042 1.00 25.00 H new ATOM 0 HE2 LYS A 63 17.771 -19.580 3.971 1.00 25.00 H new ATOM 0 HE3 LYS A 63 16.458 -19.667 2.814 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 17.100 -21.888 3.578 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 17.420 -21.734 1.917 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 18.692 -21.651 3.038 1.00 25.00 H new ATOM 991 N ILE A 64 18.195 -14.260 1.744 1.00 25.00 N ATOM 992 CA ILE A 64 17.110 -13.497 1.155 1.00 25.00 C ATOM 993 C ILE A 64 16.020 -14.453 0.671 1.00 25.00 C ATOM 994 O ILE A 64 16.286 -15.387 -0.084 1.00 25.00 O ATOM 995 CB ILE A 64 17.622 -12.665 -0.060 1.00 25.00 C ATOM 996 CG1 ILE A 64 18.736 -11.680 0.356 1.00 25.00 C ATOM 997 CG2 ILE A 64 16.488 -11.884 -0.701 1.00 25.00 C ATOM 998 CD1 ILE A 64 18.309 -10.584 1.360 1.00 25.00 C ATOM 0 H ILE A 64 19.066 -14.226 1.214 1.00 25.00 H new ATOM 0 HA ILE A 64 16.712 -12.820 1.911 1.00 25.00 H new ATOM 0 HB ILE A 64 18.028 -13.375 -0.780 1.00 25.00 H new ATOM 0 HG12 ILE A 64 19.557 -12.249 0.792 1.00 25.00 H new ATOM 0 HG13 ILE A 64 19.124 -11.197 -0.541 1.00 25.00 H new ATOM 0 HG21 ILE A 64 16.872 -11.312 -1.546 1.00 25.00 H new ATOM 0 HG22 ILE A 64 15.721 -12.576 -1.050 1.00 25.00 H new ATOM 0 HG23 ILE A 64 16.056 -11.203 0.032 1.00 25.00 H new ATOM 0 HD11 ILE A 64 19.163 -9.946 1.587 1.00 25.00 H new ATOM 0 HD12 ILE A 64 17.512 -9.982 0.924 1.00 25.00 H new ATOM 0 HD13 ILE A 64 17.951 -11.051 2.278 1.00 25.00 H new ATOM 1010 N LEU A 65 14.792 -14.191 1.086 1.00 25.00 N ATOM 1011 CA LEU A 65 13.626 -14.902 0.602 1.00 25.00 C ATOM 1012 C LEU A 65 12.994 -13.907 -0.363 1.00 25.00 C ATOM 1013 O LEU A 65 12.532 -12.845 0.049 1.00 25.00 O ATOM 1014 CB LEU A 65 12.672 -15.232 1.758 1.00 25.00 C ATOM 1015 CG LEU A 65 13.292 -15.939 2.976 1.00 25.00 C ATOM 1016 CD1 LEU A 65 12.201 -16.147 4.015 1.00 25.00 C ATOM 1017 CD2 LEU A 65 13.954 -17.281 2.629 1.00 25.00 C ATOM 0 H LEU A 65 14.577 -13.471 1.776 1.00 25.00 H new ATOM 0 HA LEU A 65 13.864 -15.858 0.135 1.00 25.00 H new ATOM 0 HB2 LEU A 65 12.214 -14.303 2.099 1.00 25.00 H new ATOM 0 HB3 LEU A 65 11.870 -15.860 1.370 1.00 25.00 H new ATOM 0 HG LEU A 65 14.088 -15.303 3.362 1.00 25.00 H new ATOM 0 HD11 LEU A 65 12.620 -16.648 4.888 1.00 25.00 H new ATOM 0 HD12 LEU A 65 11.793 -15.181 4.312 1.00 25.00 H new ATOM 0 HD13 LEU A 65 11.407 -16.762 3.591 1.00 25.00 H new ATOM 0 HD21 LEU A 65 14.371 -17.726 3.533 1.00 25.00 H new ATOM 0 HD22 LEU A 65 13.210 -17.954 2.203 1.00 25.00 H new ATOM 0 HD23 LEU A 65 14.752 -17.117 1.905 1.00 25.00 H new ATOM 1327 N PRO A 89 29.111 -18.786 10.883 1.00 25.00 N ATOM 1328 CA PRO A 89 30.314 -18.187 10.298 1.00 25.00 C ATOM 1329 C PRO A 89 30.540 -16.767 10.833 1.00 25.00 C ATOM 1330 O PRO A 89 29.649 -16.183 11.469 1.00 25.00 O ATOM 1331 CB PRO A 89 29.989 -18.181 8.804 1.00 25.00 C ATOM 1332 CG PRO A 89 28.529 -17.994 8.757 1.00 25.00 C ATOM 1333 CD PRO A 89 28.006 -18.811 9.905 1.00 25.00 C ATOM 0 HA PRO A 89 31.231 -18.726 10.535 1.00 25.00 H new ATOM 0 HB2 PRO A 89 30.511 -17.377 8.285 1.00 25.00 H new ATOM 0 HB3 PRO A 89 30.287 -19.115 8.327 1.00 25.00 H new ATOM 0 HG2 PRO A 89 28.260 -16.943 8.863 1.00 25.00 H new ATOM 0 HG3 PRO A 89 28.116 -18.334 7.807 1.00 25.00 H new ATOM 0 HD2 PRO A 89 27.094 -18.381 10.320 1.00 25.00 H new ATOM 0 HD3 PRO A 89 27.767 -19.829 9.596 1.00 25.00 H new ATOM 1341 N PRO A 90 31.731 -16.187 10.599 1.00 25.00 N ATOM 1342 CA PRO A 90 31.973 -14.848 11.150 1.00 25.00 C ATOM 1343 C PRO A 90 31.193 -13.735 10.447 1.00 25.00 C ATOM 1344 O PRO A 90 30.690 -13.906 9.332 1.00 25.00 O ATOM 1345 CB PRO A 90 33.481 -14.669 10.953 1.00 25.00 C ATOM 1346 CG PRO A 90 33.781 -15.457 9.740 1.00 25.00 C ATOM 1347 CD PRO A 90 32.911 -16.684 9.861 1.00 25.00 C ATOM 0 HA PRO A 90 31.640 -14.775 12.185 1.00 25.00 H new ATOM 0 HB2 PRO A 90 33.744 -13.619 10.822 1.00 25.00 H new ATOM 0 HB3 PRO A 90 34.042 -15.033 11.814 1.00 25.00 H new ATOM 0 HG2 PRO A 90 33.551 -14.895 8.835 1.00 25.00 H new ATOM 0 HG3 PRO A 90 34.837 -15.723 9.690 1.00 25.00 H new ATOM 0 HD2 PRO A 90 32.637 -17.082 8.884 1.00 25.00 H new ATOM 0 HD3 PRO A 90 33.416 -17.485 10.401 1.00 25.00 H new ATOM 1355 N LYS A 91 31.108 -12.591 11.110 1.00 25.00 N ATOM 1356 CA LYS A 91 30.461 -11.402 10.559 1.00 25.00 C ATOM 1357 C LYS A 91 31.555 -10.538 9.918 1.00 25.00 C ATOM 1358 O LYS A 91 32.720 -10.644 10.305 1.00 25.00 O ATOM 1359 CB LYS A 91 29.736 -10.626 11.681 1.00 25.00 C ATOM 1360 CG LYS A 91 30.627 -10.251 12.882 1.00 25.00 C ATOM 1361 CD LYS A 91 29.884 -9.410 13.933 1.00 25.00 C ATOM 1362 CE LYS A 91 28.781 -10.195 14.659 1.00 25.00 C ATOM 1363 NZ LYS A 91 28.160 -9.360 15.733 1.00 25.00 N ATOM 0 H LYS A 91 31.486 -12.457 12.048 1.00 25.00 H new ATOM 0 HA LYS A 91 29.714 -11.676 9.813 1.00 25.00 H new ATOM 0 HB2 LYS A 91 29.314 -9.714 11.259 1.00 25.00 H new ATOM 0 HB3 LYS A 91 28.900 -11.227 12.039 1.00 25.00 H new ATOM 0 HG2 LYS A 91 31.001 -11.162 13.350 1.00 25.00 H new ATOM 0 HG3 LYS A 91 31.495 -9.696 12.526 1.00 25.00 H new ATOM 0 HD2 LYS A 91 30.600 -9.039 14.666 1.00 25.00 H new ATOM 0 HD3 LYS A 91 29.443 -8.539 13.448 1.00 25.00 H new ATOM 0 HE2 LYS A 91 28.018 -10.505 13.945 1.00 25.00 H new ATOM 0 HE3 LYS A 91 29.199 -11.103 15.093 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 27.694 -9.978 16.427 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 28.897 -8.801 16.208 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 27.457 -8.720 15.312 1.00 25.00 H new ATOM 1377 N PRO A 92 31.204 -9.699 8.926 1.00 25.00 N ATOM 1378 CA PRO A 92 32.235 -8.814 8.369 1.00 25.00 C ATOM 1379 C PRO A 92 32.631 -7.737 9.392 1.00 25.00 C ATOM 1380 O PRO A 92 31.914 -7.518 10.371 1.00 25.00 O ATOM 1381 CB PRO A 92 31.545 -8.223 7.131 1.00 25.00 C ATOM 1382 CG PRO A 92 30.115 -8.246 7.452 1.00 25.00 C ATOM 1383 CD PRO A 92 29.894 -9.472 8.288 1.00 25.00 C ATOM 0 HA PRO A 92 33.169 -9.318 8.120 1.00 25.00 H new ATOM 0 HB2 PRO A 92 31.890 -7.208 6.933 1.00 25.00 H new ATOM 0 HB3 PRO A 92 31.760 -8.812 6.239 1.00 25.00 H new ATOM 0 HG2 PRO A 92 29.823 -7.347 7.995 1.00 25.00 H new ATOM 0 HG3 PRO A 92 29.513 -8.280 6.544 1.00 25.00 H new ATOM 0 HD2 PRO A 92 29.109 -9.316 9.028 1.00 25.00 H new ATOM 0 HD3 PRO A 92 29.592 -10.324 7.678 1.00 25.00 H new