USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=10 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=-0.0031) 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= 0.72 K(o=0.72,f=-2.1!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 21:sc= 0.157 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -125:sc= -0.158 (180deg=-1.13) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 40 GLN : amide:sc= 0.0309 X(o=0.031,f=0) USER MOD Single : A 48 CYS SG : rot 57:sc= -0.0972 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc=-0.00587 X(o=-0.0059,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.12) USER MOD Single : A 60 ASN : amide:sc= 0.563 K(o=0.56,f=-1.7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= 1.19 (180deg=0.992) USER MOD ----------------------------------------------------------------- ATOM 59 N TYR A 5 12.935 1.892 0.234 1.00 25.00 N ATOM 60 CA TYR A 5 13.611 0.632 0.563 1.00 25.00 C ATOM 61 C TYR A 5 13.155 -0.612 -0.210 1.00 25.00 C ATOM 62 O TYR A 5 12.150 -0.614 -0.913 1.00 25.00 O ATOM 63 CB TYR A 5 13.515 0.385 2.070 1.00 25.00 C ATOM 64 CG TYR A 5 14.313 1.371 2.900 1.00 25.00 C ATOM 65 CD1 TYR A 5 13.686 2.135 3.908 1.00 25.00 C ATOM 66 CD2 TYR A 5 15.705 1.535 2.700 1.00 25.00 C ATOM 67 CE1 TYR A 5 14.434 3.041 4.705 1.00 25.00 C ATOM 68 CE2 TYR A 5 16.452 2.443 3.490 1.00 25.00 C ATOM 69 CZ TYR A 5 15.813 3.188 4.484 1.00 25.00 C ATOM 70 OH TYR A 5 16.537 4.070 5.247 1.00 25.00 O ATOM 0 HA TYR A 5 14.642 0.775 0.240 1.00 25.00 H new ATOM 0 HB2 TYR A 5 12.469 0.433 2.371 1.00 25.00 H new ATOM 0 HB3 TYR A 5 13.863 -0.625 2.287 1.00 25.00 H new ATOM 0 HD1 TYR A 5 12.624 2.029 4.075 1.00 25.00 H new ATOM 0 HD2 TYR A 5 16.204 0.960 1.934 1.00 25.00 H new ATOM 0 HE1 TYR A 5 13.945 3.615 5.478 1.00 25.00 H new ATOM 0 HE2 TYR A 5 17.513 2.559 3.324 1.00 25.00 H new ATOM 0 HH TYR A 5 17.476 4.050 4.967 1.00 25.00 H new ATOM 80 N LEU A 6 13.962 -1.659 -0.098 1.00 25.00 N ATOM 81 CA LEU A 6 13.731 -2.917 -0.811 1.00 25.00 C ATOM 82 C LEU A 6 12.522 -3.675 -0.247 1.00 25.00 C ATOM 83 O LEU A 6 11.741 -4.238 -0.994 1.00 25.00 O ATOM 84 CB LEU A 6 14.976 -3.814 -0.691 1.00 25.00 C ATOM 85 CG LEU A 6 16.330 -3.314 -1.224 1.00 25.00 C ATOM 86 CD1 LEU A 6 17.425 -4.344 -0.878 1.00 25.00 C ATOM 87 CD2 LEU A 6 16.302 -3.091 -2.726 1.00 25.00 C ATOM 0 H LEU A 6 14.796 -1.664 0.489 1.00 25.00 H new ATOM 0 HA LEU A 6 13.531 -2.673 -1.854 1.00 25.00 H new ATOM 0 HB2 LEU A 6 15.108 -4.048 0.365 1.00 25.00 H new ATOM 0 HB3 LEU A 6 14.752 -4.752 -1.200 1.00 25.00 H new ATOM 0 HG LEU A 6 16.544 -2.356 -0.750 1.00 25.00 H new ATOM 0 HD11 LEU A 6 18.386 -3.993 -1.254 1.00 25.00 H new ATOM 0 HD12 LEU A 6 17.481 -4.466 0.204 1.00 25.00 H new ATOM 0 HD13 LEU A 6 17.183 -5.302 -1.339 1.00 25.00 H new ATOM 0 HD21 LEU A 6 17.278 -2.738 -3.060 1.00 25.00 H new ATOM 0 HD22 LEU A 6 16.064 -4.028 -3.229 1.00 25.00 H new ATOM 0 HD23 LEU A 6 15.544 -2.346 -2.969 1.00 25.00 H new ATOM 99 N ASN A 7 12.409 -3.693 1.081 1.00 25.00 N ATOM 100 CA ASN A 7 11.323 -4.383 1.811 1.00 25.00 C ATOM 101 C ASN A 7 11.123 -5.844 1.391 1.00 25.00 C ATOM 102 O ASN A 7 10.016 -6.275 1.078 1.00 25.00 O ATOM 103 CB ASN A 7 10.009 -3.603 1.703 1.00 25.00 C ATOM 104 CG ASN A 7 10.066 -2.292 2.419 1.00 25.00 C ATOM 105 OD1 ASN A 7 10.294 -2.233 3.616 1.00 25.00 O ATOM 106 ND2 ASN A 7 9.872 -1.236 1.699 1.00 25.00 N ATOM 0 H ASN A 7 13.074 -3.225 1.697 1.00 25.00 H new ATOM 0 HA ASN A 7 11.639 -4.411 2.854 1.00 25.00 H new ATOM 0 HB2 ASN A 7 9.777 -3.430 0.652 1.00 25.00 H new ATOM 0 HB3 ASN A 7 9.198 -4.204 2.114 1.00 25.00 H new ATOM 0 HD21 ASN A 7 9.907 -0.312 2.129 1.00 25.00 H new ATOM 0 HD22 ASN A 7 9.684 -1.327 0.701 1.00 25.00 H new ATOM 113 N VAL A 8 12.207 -6.606 1.412 1.00 25.00 N ATOM 114 CA VAL A 8 12.165 -8.028 1.072 1.00 25.00 C ATOM 115 C VAL A 8 12.279 -8.789 2.385 1.00 25.00 C ATOM 116 O VAL A 8 12.747 -8.239 3.372 1.00 25.00 O ATOM 117 CB VAL A 8 13.312 -8.419 0.065 1.00 25.00 C ATOM 118 CG1 VAL A 8 13.831 -7.195 -0.676 1.00 25.00 C ATOM 119 CG2 VAL A 8 14.485 -9.093 0.757 1.00 25.00 C ATOM 0 H VAL A 8 13.135 -6.264 1.662 1.00 25.00 H new ATOM 0 HA VAL A 8 11.235 -8.279 0.562 1.00 25.00 H new ATOM 0 HB VAL A 8 12.867 -9.123 -0.638 1.00 25.00 H new ATOM 0 HG11 VAL A 8 14.622 -7.494 -1.364 1.00 25.00 H new ATOM 0 HG12 VAL A 8 13.016 -6.737 -1.237 1.00 25.00 H new ATOM 0 HG13 VAL A 8 14.227 -6.476 0.041 1.00 25.00 H new ATOM 0 HG21 VAL A 8 15.248 -9.342 0.020 1.00 25.00 H new ATOM 0 HG22 VAL A 8 14.906 -8.417 1.501 1.00 25.00 H new ATOM 0 HG23 VAL A 8 14.143 -10.004 1.248 1.00 25.00 H new ATOM 129 N LEU A 9 11.868 -10.043 2.418 1.00 25.00 N ATOM 130 CA LEU A 9 11.986 -10.831 3.643 1.00 25.00 C ATOM 131 C LEU A 9 13.286 -11.619 3.587 1.00 25.00 C ATOM 132 O LEU A 9 13.701 -12.056 2.525 1.00 25.00 O ATOM 133 CB LEU A 9 10.800 -11.788 3.783 1.00 25.00 C ATOM 134 CG LEU A 9 9.415 -11.131 3.910 1.00 25.00 C ATOM 135 CD1 LEU A 9 8.353 -12.226 4.004 1.00 25.00 C ATOM 136 CD2 LEU A 9 9.328 -10.217 5.134 1.00 25.00 C ATOM 0 H LEU A 9 11.455 -10.537 1.627 1.00 25.00 H new ATOM 0 HA LEU A 9 11.987 -10.165 4.506 1.00 25.00 H new ATOM 0 HB2 LEU A 9 10.788 -12.450 2.917 1.00 25.00 H new ATOM 0 HB3 LEU A 9 10.965 -12.414 4.660 1.00 25.00 H new ATOM 0 HG LEU A 9 9.247 -10.513 3.028 1.00 25.00 H new ATOM 0 HD11 LEU A 9 7.367 -11.770 4.094 1.00 25.00 H new ATOM 0 HD12 LEU A 9 8.386 -12.843 3.106 1.00 25.00 H new ATOM 0 HD13 LEU A 9 8.547 -12.847 4.879 1.00 25.00 H new ATOM 0 HD21 LEU A 9 8.334 -9.773 5.187 1.00 25.00 H new ATOM 0 HD22 LEU A 9 9.514 -10.799 6.037 1.00 25.00 H new ATOM 0 HD23 LEU A 9 10.074 -9.427 5.052 1.00 25.00 H new ATOM 148 N ALA A 10 13.924 -11.813 4.728 1.00 25.00 N ATOM 149 CA ALA A 10 15.144 -12.615 4.808 1.00 25.00 C ATOM 150 C ALA A 10 15.107 -13.482 6.061 1.00 25.00 C ATOM 151 O ALA A 10 14.590 -13.055 7.091 1.00 25.00 O ATOM 152 CB ALA A 10 16.366 -11.723 4.811 1.00 25.00 C ATOM 0 H ALA A 10 13.619 -11.425 5.621 1.00 25.00 H new ATOM 0 HA ALA A 10 15.202 -13.262 3.933 1.00 25.00 H new ATOM 0 HB1 ALA A 10 17.265 -12.337 4.871 1.00 25.00 H new ATOM 0 HB2 ALA A 10 16.389 -11.135 3.894 1.00 25.00 H new ATOM 0 HB3 ALA A 10 16.326 -11.054 5.670 1.00 25.00 H new ATOM 158 N LYS A 11 15.650 -14.692 5.965 1.00 25.00 N ATOM 159 CA LYS A 11 15.698 -15.638 7.084 1.00 25.00 C ATOM 160 C LYS A 11 17.107 -15.785 7.641 1.00 25.00 C ATOM 161 O LYS A 11 18.071 -15.897 6.887 1.00 25.00 O ATOM 162 CB LYS A 11 15.215 -17.019 6.632 1.00 25.00 C ATOM 163 CG LYS A 11 15.226 -18.085 7.736 1.00 25.00 C ATOM 164 CD LYS A 11 14.618 -19.409 7.296 1.00 25.00 C ATOM 165 CE LYS A 11 13.104 -19.310 7.126 1.00 25.00 C ATOM 166 NZ LYS A 11 12.496 -20.637 6.796 1.00 25.00 N ATOM 0 H LYS A 11 16.072 -15.049 5.107 1.00 25.00 H new ATOM 0 HA LYS A 11 15.048 -15.240 7.863 1.00 25.00 H new ATOM 0 HB2 LYS A 11 14.201 -16.927 6.242 1.00 25.00 H new ATOM 0 HB3 LYS A 11 15.843 -17.359 5.809 1.00 25.00 H new ATOM 0 HG2 LYS A 11 16.253 -18.254 8.059 1.00 25.00 H new ATOM 0 HG3 LYS A 11 14.678 -17.710 8.600 1.00 25.00 H new ATOM 0 HD2 LYS A 11 15.070 -19.721 6.354 1.00 25.00 H new ATOM 0 HD3 LYS A 11 14.851 -20.178 8.032 1.00 25.00 H new ATOM 0 HE2 LYS A 11 12.659 -18.924 8.043 1.00 25.00 H new ATOM 0 HE3 LYS A 11 12.873 -18.597 6.335 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 11.467 -20.530 6.688 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 12.902 -20.994 5.908 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 12.696 -21.311 7.563 1.00 25.00 H new ATOM 180 N ALA A 12 17.198 -15.856 8.956 1.00 25.00 N ATOM 181 CA ALA A 12 18.448 -16.125 9.645 1.00 25.00 C ATOM 182 C ALA A 12 18.831 -17.604 9.518 1.00 25.00 C ATOM 183 O ALA A 12 18.041 -18.473 9.878 1.00 25.00 O ATOM 184 CB ALA A 12 18.282 -15.748 11.108 1.00 25.00 C ATOM 0 H ALA A 12 16.402 -15.728 9.581 1.00 25.00 H new ATOM 0 HA ALA A 12 19.247 -15.535 9.195 1.00 25.00 H new ATOM 0 HB1 ALA A 12 19.212 -15.943 11.642 1.00 25.00 H new ATOM 0 HB2 ALA A 12 18.035 -14.689 11.185 1.00 25.00 H new ATOM 0 HB3 ALA A 12 17.480 -16.341 11.548 1.00 25.00 H new ATOM 190 N LEU A 13 20.037 -17.901 9.043 1.00 25.00 N ATOM 191 CA LEU A 13 20.509 -19.294 8.969 1.00 25.00 C ATOM 192 C LEU A 13 21.230 -19.658 10.246 1.00 25.00 C ATOM 193 O LEU A 13 21.459 -20.829 10.526 1.00 25.00 O ATOM 194 CB LEU A 13 21.503 -19.496 7.827 1.00 25.00 C ATOM 195 CG LEU A 13 21.088 -19.292 6.372 1.00 25.00 C ATOM 196 CD1 LEU A 13 19.621 -19.625 6.106 1.00 25.00 C ATOM 197 CD2 LEU A 13 21.410 -17.885 5.935 1.00 25.00 C ATOM 0 H LEU A 13 20.705 -17.208 8.705 1.00 25.00 H new ATOM 0 HA LEU A 13 19.630 -19.918 8.808 1.00 25.00 H new ATOM 0 HB2 LEU A 13 22.344 -18.828 8.015 1.00 25.00 H new ATOM 0 HB3 LEU A 13 21.881 -20.515 7.910 1.00 25.00 H new ATOM 0 HG LEU A 13 21.666 -19.999 5.777 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.395 -19.458 5.053 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.434 -20.669 6.356 1.00 25.00 H new ATOM 0 HD13 LEU A 13 18.986 -18.986 6.719 1.00 25.00 H new ATOM 0 HD21 LEU A 13 21.110 -17.749 4.896 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.871 -17.176 6.564 1.00 25.00 H new ATOM 0 HD23 LEU A 13 22.482 -17.711 6.029 1.00 25.00 H new ATOM 209 N TYR A 14 21.626 -18.635 10.984 1.00 25.00 N ATOM 210 CA TYR A 14 22.384 -18.798 12.212 1.00 25.00 C ATOM 211 C TYR A 14 21.903 -17.765 13.194 1.00 25.00 C ATOM 212 O TYR A 14 21.296 -16.766 12.805 1.00 25.00 O ATOM 213 CB TYR A 14 23.879 -18.600 11.957 1.00 25.00 C ATOM 214 CG TYR A 14 24.448 -19.585 10.969 1.00 25.00 C ATOM 215 CD1 TYR A 14 24.515 -19.272 9.599 1.00 25.00 C ATOM 216 CD2 TYR A 14 24.910 -20.846 11.392 1.00 25.00 C ATOM 217 CE1 TYR A 14 25.024 -20.204 8.662 1.00 25.00 C ATOM 218 CE2 TYR A 14 25.436 -21.775 10.464 1.00 25.00 C ATOM 219 CZ TYR A 14 25.486 -21.449 9.105 1.00 25.00 C ATOM 220 OH TYR A 14 25.988 -22.349 8.203 1.00 25.00 O ATOM 0 H TYR A 14 21.429 -17.663 10.746 1.00 25.00 H new ATOM 0 HA TYR A 14 22.237 -19.805 12.602 1.00 25.00 H new ATOM 0 HB2 TYR A 14 24.047 -17.588 11.589 1.00 25.00 H new ATOM 0 HB3 TYR A 14 24.417 -18.690 12.901 1.00 25.00 H new ATOM 0 HD1 TYR A 14 24.173 -18.306 9.257 1.00 25.00 H new ATOM 0 HD2 TYR A 14 24.862 -21.107 12.439 1.00 25.00 H new ATOM 0 HE1 TYR A 14 25.056 -19.956 7.611 1.00 25.00 H new ATOM 0 HE2 TYR A 14 25.798 -22.734 10.804 1.00 25.00 H new ATOM 0 HH TYR A 14 26.266 -23.163 8.673 1.00 25.00 H new ATOM 230 N ASP A 15 22.179 -18.003 14.458 1.00 25.00 N ATOM 231 CA ASP A 15 21.806 -17.082 15.516 1.00 25.00 C ATOM 232 C ASP A 15 22.731 -15.873 15.492 1.00 25.00 C ATOM 233 O ASP A 15 23.878 -15.967 15.034 1.00 25.00 O ATOM 234 CB ASP A 15 21.901 -17.815 16.856 1.00 25.00 C ATOM 235 CG ASP A 15 21.120 -19.117 16.849 1.00 25.00 C ATOM 236 OD1 ASP A 15 21.698 -20.151 16.458 1.00 25.00 O ATOM 237 OD2 ASP A 15 19.896 -19.084 17.097 1.00 25.00 O ATOM 0 H ASP A 15 22.667 -18.838 14.783 1.00 25.00 H new ATOM 0 HA ASP A 15 20.785 -16.730 15.372 1.00 25.00 H new ATOM 0 HB2 ASP A 15 22.947 -18.021 17.083 1.00 25.00 H new ATOM 0 HB3 ASP A 15 21.523 -17.170 17.650 1.00 25.00 H new ATOM 242 N ASN A 16 22.245 -14.735 15.967 1.00 25.00 N ATOM 243 CA ASN A 16 23.055 -13.513 15.988 1.00 25.00 C ATOM 244 C ASN A 16 22.874 -12.682 17.247 1.00 25.00 C ATOM 245 O ASN A 16 21.760 -12.358 17.639 1.00 25.00 O ATOM 246 CB ASN A 16 22.740 -12.611 14.795 1.00 25.00 C ATOM 247 CG ASN A 16 23.850 -11.626 14.527 1.00 25.00 C ATOM 248 OD1 ASN A 16 24.974 -12.026 14.245 1.00 25.00 O ATOM 249 ND2 ASN A 16 23.569 -10.358 14.647 1.00 25.00 N ATOM 0 H ASN A 16 21.302 -14.626 16.341 1.00 25.00 H new ATOM 0 HA ASN A 16 24.084 -13.869 15.948 1.00 25.00 H new ATOM 0 HB2 ASN A 16 22.577 -13.225 13.909 1.00 25.00 H new ATOM 0 HB3 ASN A 16 21.812 -12.070 14.983 1.00 25.00 H new ATOM 0 HD21 ASN A 16 24.298 -9.658 14.505 1.00 25.00 H new ATOM 0 HD22 ASN A 16 22.621 -10.066 14.883 1.00 25.00 H new ATOM 256 N VAL A 17 23.986 -12.284 17.838 1.00 25.00 N ATOM 257 CA VAL A 17 23.979 -11.418 19.001 1.00 25.00 C ATOM 258 C VAL A 17 24.522 -10.090 18.522 1.00 25.00 C ATOM 259 O VAL A 17 25.580 -10.034 17.890 1.00 25.00 O ATOM 260 CB VAL A 17 24.853 -11.995 20.147 1.00 25.00 C ATOM 261 CG1 VAL A 17 24.858 -11.055 21.360 1.00 25.00 C ATOM 262 CG2 VAL A 17 24.329 -13.387 20.554 1.00 25.00 C ATOM 0 H VAL A 17 24.919 -12.552 17.525 1.00 25.00 H new ATOM 0 HA VAL A 17 22.975 -11.319 19.413 1.00 25.00 H new ATOM 0 HB VAL A 17 25.878 -12.088 19.787 1.00 25.00 H new ATOM 0 HG11 VAL A 17 25.477 -11.482 22.149 1.00 25.00 H new ATOM 0 HG12 VAL A 17 25.261 -10.085 21.067 1.00 25.00 H new ATOM 0 HG13 VAL A 17 23.839 -10.929 21.727 1.00 25.00 H new ATOM 0 HG21 VAL A 17 24.946 -13.787 21.359 1.00 25.00 H new ATOM 0 HG22 VAL A 17 23.298 -13.302 20.896 1.00 25.00 H new ATOM 0 HG23 VAL A 17 24.373 -14.057 19.696 1.00 25.00 H new ATOM 272 N ALA A 18 23.767 -9.040 18.776 1.00 25.00 N ATOM 273 CA ALA A 18 24.166 -7.694 18.404 1.00 25.00 C ATOM 274 C ALA A 18 25.298 -7.259 19.330 1.00 25.00 C ATOM 275 O ALA A 18 25.168 -7.317 20.550 1.00 25.00 O ATOM 276 CB ALA A 18 22.989 -6.745 18.529 1.00 25.00 C ATOM 0 H ALA A 18 22.862 -9.093 19.244 1.00 25.00 H new ATOM 0 HA ALA A 18 24.504 -7.676 17.368 1.00 25.00 H new ATOM 0 HB1 ALA A 18 23.301 -5.739 18.247 1.00 25.00 H new ATOM 0 HB2 ALA A 18 22.185 -7.073 17.870 1.00 25.00 H new ATOM 0 HB3 ALA A 18 22.634 -6.739 19.560 1.00 25.00 H new ATOM 282 N GLU A 19 26.405 -6.849 18.737 1.00 25.00 N ATOM 283 CA GLU A 19 27.580 -6.418 19.493 1.00 25.00 C ATOM 284 C GLU A 19 27.804 -4.929 19.287 1.00 25.00 C ATOM 285 O GLU A 19 28.465 -4.266 20.076 1.00 25.00 O ATOM 286 CB GLU A 19 28.803 -7.209 19.033 1.00 25.00 C ATOM 287 CG GLU A 19 28.692 -8.687 19.371 1.00 25.00 C ATOM 288 CD GLU A 19 29.899 -9.494 18.917 1.00 25.00 C ATOM 289 OE1 GLU A 19 30.181 -9.509 17.693 1.00 25.00 O ATOM 290 OE2 GLU A 19 30.513 -10.179 19.757 1.00 25.00 O ATOM 0 H GLU A 19 26.520 -6.803 17.725 1.00 25.00 H new ATOM 0 HA GLU A 19 27.419 -6.604 20.555 1.00 25.00 H new ATOM 0 HB2 GLU A 19 28.925 -7.093 17.956 1.00 25.00 H new ATOM 0 HB3 GLU A 19 29.697 -6.797 19.501 1.00 25.00 H new ATOM 0 HG2 GLU A 19 28.571 -8.799 20.448 1.00 25.00 H new ATOM 0 HG3 GLU A 19 27.794 -9.094 18.906 1.00 25.00 H new ATOM 297 N SER A 20 27.214 -4.410 18.221 1.00 25.00 N ATOM 298 CA SER A 20 27.278 -2.986 17.906 1.00 25.00 C ATOM 299 C SER A 20 25.906 -2.376 18.149 1.00 25.00 C ATOM 300 O SER A 20 24.895 -3.068 18.047 1.00 25.00 O ATOM 301 CB SER A 20 27.708 -2.818 16.455 1.00 25.00 C ATOM 302 OG SER A 20 28.976 -3.419 16.276 1.00 25.00 O ATOM 0 H SER A 20 26.678 -4.960 17.550 1.00 25.00 H new ATOM 0 HA SER A 20 28.005 -2.477 18.539 1.00 25.00 H new ATOM 0 HB2 SER A 20 26.977 -3.278 15.790 1.00 25.00 H new ATOM 0 HB3 SER A 20 27.753 -1.760 16.196 1.00 25.00 H new ATOM 0 HG SER A 20 29.258 -3.316 15.343 1.00 25.00 H new ATOM 308 N PRO A 21 25.843 -1.066 18.457 1.00 25.00 N ATOM 309 CA PRO A 21 24.549 -0.432 18.734 1.00 25.00 C ATOM 310 C PRO A 21 23.659 -0.309 17.496 1.00 25.00 C ATOM 311 O PRO A 21 22.453 -0.095 17.607 1.00 25.00 O ATOM 312 CB PRO A 21 24.955 0.945 19.273 1.00 25.00 C ATOM 313 CG PRO A 21 26.265 1.216 18.628 1.00 25.00 C ATOM 314 CD PRO A 21 26.954 -0.102 18.593 1.00 25.00 C ATOM 0 HA PRO A 21 23.944 -1.017 19.427 1.00 25.00 H new ATOM 0 HB2 PRO A 21 24.219 1.707 19.015 1.00 25.00 H new ATOM 0 HB3 PRO A 21 25.040 0.938 20.360 1.00 25.00 H new ATOM 0 HG2 PRO A 21 26.135 1.621 17.624 1.00 25.00 H new ATOM 0 HG3 PRO A 21 26.841 1.948 19.195 1.00 25.00 H new ATOM 0 HD2 PRO A 21 27.649 -0.170 17.756 1.00 25.00 H new ATOM 0 HD3 PRO A 21 27.530 -0.278 19.501 1.00 25.00 H new ATOM 322 N ASP A 22 24.259 -0.473 16.325 1.00 25.00 N ATOM 323 CA ASP A 22 23.543 -0.413 15.060 1.00 25.00 C ATOM 324 C ASP A 22 22.982 -1.774 14.705 1.00 25.00 C ATOM 325 O ASP A 22 22.276 -1.895 13.738 1.00 25.00 O ATOM 326 CB ASP A 22 24.502 0.001 13.932 1.00 25.00 C ATOM 327 CG ASP A 22 24.577 1.498 13.748 1.00 25.00 C ATOM 328 OD1 ASP A 22 25.295 2.160 14.526 1.00 25.00 O ATOM 329 OD2 ASP A 22 23.928 2.016 12.806 1.00 25.00 O ATOM 0 H ASP A 22 25.258 -0.652 16.226 1.00 25.00 H new ATOM 0 HA ASP A 22 22.737 0.313 15.167 1.00 25.00 H new ATOM 0 HB2 ASP A 22 25.498 -0.384 14.149 1.00 25.00 H new ATOM 0 HB3 ASP A 22 24.178 -0.459 12.999 1.00 25.00 H new ATOM 334 N GLU A 23 23.384 -2.817 15.415 1.00 25.00 N ATOM 335 CA GLU A 23 23.124 -4.185 14.980 1.00 25.00 C ATOM 336 C GLU A 23 21.854 -4.791 15.581 1.00 25.00 C ATOM 337 O GLU A 23 21.480 -4.504 16.718 1.00 25.00 O ATOM 338 CB GLU A 23 24.347 -5.047 15.329 1.00 25.00 C ATOM 339 CG GLU A 23 24.397 -6.386 14.611 1.00 25.00 C ATOM 340 CD GLU A 23 25.618 -7.213 14.975 1.00 25.00 C ATOM 341 OE1 GLU A 23 26.398 -6.818 15.875 1.00 25.00 O ATOM 342 OE2 GLU A 23 25.781 -8.305 14.384 1.00 25.00 O ATOM 0 H GLU A 23 23.892 -2.744 16.296 1.00 25.00 H new ATOM 0 HA GLU A 23 22.955 -4.162 13.903 1.00 25.00 H new ATOM 0 HB2 GLU A 23 25.251 -4.487 15.091 1.00 25.00 H new ATOM 0 HB3 GLU A 23 24.356 -5.225 16.404 1.00 25.00 H new ATOM 0 HG2 GLU A 23 23.497 -6.953 14.850 1.00 25.00 H new ATOM 0 HG3 GLU A 23 24.390 -6.215 13.535 1.00 25.00 H new ATOM 349 N LEU A 24 21.205 -5.660 14.816 1.00 25.00 N ATOM 350 CA LEU A 24 20.045 -6.405 15.310 1.00 25.00 C ATOM 351 C LEU A 24 20.461 -7.738 15.912 1.00 25.00 C ATOM 352 O LEU A 24 21.379 -8.403 15.444 1.00 25.00 O ATOM 353 CB LEU A 24 19.044 -6.672 14.182 1.00 25.00 C ATOM 354 CG LEU A 24 18.284 -5.460 13.636 1.00 25.00 C ATOM 355 CD1 LEU A 24 17.325 -5.915 12.550 1.00 25.00 C ATOM 356 CD2 LEU A 24 17.520 -4.742 14.749 1.00 25.00 C ATOM 0 H LEU A 24 21.459 -5.869 13.851 1.00 25.00 H new ATOM 0 HA LEU A 24 19.578 -5.790 16.079 1.00 25.00 H new ATOM 0 HB2 LEU A 24 19.580 -7.139 13.355 1.00 25.00 H new ATOM 0 HB3 LEU A 24 18.314 -7.398 14.540 1.00 25.00 H new ATOM 0 HG LEU A 24 19.003 -4.756 13.218 1.00 25.00 H new ATOM 0 HD11 LEU A 24 16.783 -5.054 12.160 1.00 25.00 H new ATOM 0 HD12 LEU A 24 17.886 -6.387 11.743 1.00 25.00 H new ATOM 0 HD13 LEU A 24 16.617 -6.631 12.967 1.00 25.00 H new ATOM 0 HD21 LEU A 24 16.990 -3.886 14.332 1.00 25.00 H new ATOM 0 HD22 LEU A 24 16.803 -5.428 15.200 1.00 25.00 H new ATOM 0 HD23 LEU A 24 18.222 -4.399 15.509 1.00 25.00 H new ATOM 368 N SER A 25 19.726 -8.142 16.933 1.00 25.00 N ATOM 369 CA SER A 25 19.937 -9.421 17.593 1.00 25.00 C ATOM 370 C SER A 25 18.734 -10.279 17.244 1.00 25.00 C ATOM 371 O SER A 25 17.591 -9.831 17.380 1.00 25.00 O ATOM 372 CB SER A 25 20.052 -9.230 19.108 1.00 25.00 C ATOM 373 OG SER A 25 20.414 -10.432 19.757 1.00 25.00 O ATOM 0 H SER A 25 18.964 -7.592 17.330 1.00 25.00 H new ATOM 0 HA SER A 25 20.863 -9.892 17.265 1.00 25.00 H new ATOM 0 HB2 SER A 25 20.794 -8.462 19.323 1.00 25.00 H new ATOM 0 HB3 SER A 25 19.101 -8.874 19.504 1.00 25.00 H new ATOM 0 HG SER A 25 20.831 -11.040 19.111 1.00 25.00 H new ATOM 379 N PHE A 26 18.988 -11.477 16.758 1.00 25.00 N ATOM 380 CA PHE A 26 17.933 -12.407 16.344 1.00 25.00 C ATOM 381 C PHE A 26 18.496 -13.802 16.422 1.00 25.00 C ATOM 382 O PHE A 26 19.679 -13.976 16.667 1.00 25.00 O ATOM 383 CB PHE A 26 17.447 -12.120 14.923 1.00 25.00 C ATOM 384 CG PHE A 26 18.539 -12.086 13.893 1.00 25.00 C ATOM 385 CD1 PHE A 26 19.115 -13.277 13.404 1.00 25.00 C ATOM 386 CD2 PHE A 26 18.967 -10.858 13.369 1.00 25.00 C ATOM 387 CE1 PHE A 26 20.099 -13.238 12.387 1.00 25.00 C ATOM 388 CE2 PHE A 26 19.929 -10.810 12.356 1.00 25.00 C ATOM 389 CZ PHE A 26 20.491 -12.007 11.849 1.00 25.00 C ATOM 0 H PHE A 26 19.932 -11.843 16.635 1.00 25.00 H new ATOM 0 HA PHE A 26 17.073 -12.292 17.004 1.00 25.00 H new ATOM 0 HB2 PHE A 26 16.719 -12.881 14.640 1.00 25.00 H new ATOM 0 HB3 PHE A 26 16.926 -11.162 14.916 1.00 25.00 H new ATOM 0 HD1 PHE A 26 18.802 -14.228 13.809 1.00 25.00 H new ATOM 0 HD2 PHE A 26 18.549 -9.939 13.752 1.00 25.00 H new ATOM 0 HE1 PHE A 26 20.545 -14.154 12.028 1.00 25.00 H new ATOM 0 HE2 PHE A 26 20.245 -9.857 11.959 1.00 25.00 H new ATOM 0 HZ PHE A 26 21.218 -11.970 11.051 1.00 25.00 H new ATOM 399 N ARG A 27 17.671 -14.807 16.206 1.00 25.00 N ATOM 400 CA ARG A 27 18.132 -16.182 16.304 1.00 25.00 C ATOM 401 C ARG A 27 17.829 -16.964 15.018 1.00 25.00 C ATOM 402 O ARG A 27 17.116 -16.482 14.140 1.00 25.00 O ATOM 403 CB ARG A 27 17.530 -16.788 17.575 1.00 25.00 C ATOM 404 CG ARG A 27 16.126 -17.289 17.447 1.00 25.00 C ATOM 405 CD ARG A 27 16.207 -18.773 17.400 1.00 25.00 C ATOM 406 NE ARG A 27 14.924 -19.373 17.012 1.00 25.00 N ATOM 407 CZ ARG A 27 14.723 -20.663 16.775 1.00 25.00 C ATOM 408 NH1 ARG A 27 15.681 -21.554 16.889 1.00 25.00 N ATOM 409 NH2 ARG A 27 13.534 -21.063 16.416 1.00 25.00 N ATOM 0 H ARG A 27 16.686 -14.702 15.963 1.00 25.00 H new ATOM 0 HA ARG A 27 19.217 -16.231 16.394 1.00 25.00 H new ATOM 0 HB2 ARG A 27 18.164 -17.614 17.898 1.00 25.00 H new ATOM 0 HB3 ARG A 27 17.559 -16.036 18.364 1.00 25.00 H new ATOM 0 HG2 ARG A 27 15.519 -16.961 18.291 1.00 25.00 H new ATOM 0 HG3 ARG A 27 15.656 -16.898 16.545 1.00 25.00 H new ATOM 0 HD2 ARG A 27 16.979 -19.073 16.691 1.00 25.00 H new ATOM 0 HD3 ARG A 27 16.506 -19.153 18.377 1.00 25.00 H new ATOM 0 HE ARG A 27 14.123 -18.748 16.917 1.00 25.00 H new ATOM 0 HH11 ARG A 27 16.618 -21.263 17.168 1.00 25.00 H new ATOM 0 HH12 ARG A 27 15.488 -22.537 16.698 1.00 25.00 H new ATOM 0 HH21 ARG A 27 12.776 -20.387 16.321 1.00 25.00 H new ATOM 0 HH22 ARG A 27 13.363 -22.051 16.230 1.00 25.00 H new ATOM 423 N LYS A 28 18.413 -18.144 14.880 1.00 25.00 N ATOM 424 CA LYS A 28 18.265 -18.959 13.665 1.00 25.00 C ATOM 425 C LYS A 28 16.805 -19.254 13.352 1.00 25.00 C ATOM 426 O LYS A 28 16.066 -19.759 14.186 1.00 25.00 O ATOM 427 CB LYS A 28 19.036 -20.273 13.839 1.00 25.00 C ATOM 428 CG LYS A 28 18.957 -21.223 12.652 1.00 25.00 C ATOM 429 CD LYS A 28 19.884 -22.414 12.889 1.00 25.00 C ATOM 430 CE LYS A 28 19.844 -23.422 11.744 1.00 25.00 C ATOM 431 NZ LYS A 28 20.738 -24.603 12.040 1.00 25.00 N ATOM 0 H LYS A 28 19.001 -18.569 15.597 1.00 25.00 H new ATOM 0 HA LYS A 28 18.671 -18.392 12.827 1.00 25.00 H new ATOM 0 HB2 LYS A 28 20.083 -20.040 14.031 1.00 25.00 H new ATOM 0 HB3 LYS A 28 18.656 -20.786 14.723 1.00 25.00 H new ATOM 0 HG2 LYS A 28 17.932 -21.568 12.516 1.00 25.00 H new ATOM 0 HG3 LYS A 28 19.242 -20.703 11.737 1.00 25.00 H new ATOM 0 HD2 LYS A 28 20.905 -22.056 13.018 1.00 25.00 H new ATOM 0 HD3 LYS A 28 19.601 -22.911 13.817 1.00 25.00 H new ATOM 0 HE2 LYS A 28 18.821 -23.764 11.590 1.00 25.00 H new ATOM 0 HE3 LYS A 28 20.162 -22.942 10.819 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 20.696 -25.277 11.249 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 21.717 -24.275 12.164 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 20.417 -25.072 12.911 1.00 25.00 H new ATOM 445 N GLY A 29 16.407 -18.952 12.125 1.00 25.00 N ATOM 446 CA GLY A 29 15.047 -19.192 11.672 1.00 25.00 C ATOM 447 C GLY A 29 14.174 -17.954 11.672 1.00 25.00 C ATOM 448 O GLY A 29 13.094 -17.972 11.075 1.00 25.00 O ATOM 0 H GLY A 29 17.015 -18.536 11.419 1.00 25.00 H new ATOM 0 HA2 GLY A 29 15.078 -19.603 10.663 1.00 25.00 H new ATOM 0 HA3 GLY A 29 14.589 -19.948 12.311 1.00 25.00 H new ATOM 452 N ASP A 30 14.626 -16.884 12.312 1.00 25.00 N ATOM 453 CA ASP A 30 13.842 -15.647 12.404 1.00 25.00 C ATOM 454 C ASP A 30 13.758 -14.974 11.042 1.00 25.00 C ATOM 455 O ASP A 30 14.639 -15.154 10.191 1.00 25.00 O ATOM 456 CB ASP A 30 14.484 -14.669 13.394 1.00 25.00 C ATOM 457 CG ASP A 30 14.272 -15.073 14.846 1.00 25.00 C ATOM 458 OD1 ASP A 30 13.467 -15.991 15.125 1.00 25.00 O ATOM 459 OD2 ASP A 30 14.929 -14.467 15.717 1.00 25.00 O ATOM 0 H ASP A 30 15.532 -16.842 12.778 1.00 25.00 H new ATOM 0 HA ASP A 30 12.843 -15.911 12.751 1.00 25.00 H new ATOM 0 HB2 ASP A 30 15.553 -14.605 13.192 1.00 25.00 H new ATOM 0 HB3 ASP A 30 14.069 -13.674 13.235 1.00 25.00 H new ATOM 464 N ILE A 31 12.707 -14.184 10.849 1.00 25.00 N ATOM 465 CA ILE A 31 12.481 -13.457 9.599 1.00 25.00 C ATOM 466 C ILE A 31 12.506 -11.960 9.866 1.00 25.00 C ATOM 467 O ILE A 31 11.810 -11.476 10.758 1.00 25.00 O ATOM 468 CB ILE A 31 11.093 -13.813 8.974 1.00 25.00 C ATOM 469 CG1 ILE A 31 10.974 -15.325 8.704 1.00 25.00 C ATOM 470 CG2 ILE A 31 10.855 -13.017 7.664 1.00 25.00 C ATOM 471 CD1 ILE A 31 12.022 -15.904 7.791 1.00 25.00 C ATOM 0 H ILE A 31 11.986 -14.028 11.553 1.00 25.00 H new ATOM 0 HA ILE A 31 13.271 -13.743 8.905 1.00 25.00 H new ATOM 0 HB ILE A 31 10.327 -13.532 9.697 1.00 25.00 H new ATOM 0 HG12 ILE A 31 11.017 -15.851 9.658 1.00 25.00 H new ATOM 0 HG13 ILE A 31 9.992 -15.524 8.274 1.00 25.00 H new ATOM 0 HG21 ILE A 31 9.883 -13.282 7.249 1.00 25.00 H new ATOM 0 HG22 ILE A 31 10.879 -11.948 7.878 1.00 25.00 H new ATOM 0 HG23 ILE A 31 11.636 -13.260 6.944 1.00 25.00 H new ATOM 0 HD11 ILE A 31 11.847 -16.973 7.668 1.00 25.00 H new ATOM 0 HD12 ILE A 31 11.969 -15.413 6.819 1.00 25.00 H new ATOM 0 HD13 ILE A 31 13.010 -15.746 8.224 1.00 25.00 H new ATOM 483 N MET A 32 13.280 -11.236 9.075 1.00 25.00 N ATOM 484 CA MET A 32 13.360 -9.780 9.175 1.00 25.00 C ATOM 485 C MET A 32 13.140 -9.161 7.808 1.00 25.00 C ATOM 486 O MET A 32 13.306 -9.821 6.780 1.00 25.00 O ATOM 487 CB MET A 32 14.717 -9.356 9.732 1.00 25.00 C ATOM 488 CG MET A 32 15.910 -9.889 8.964 1.00 25.00 C ATOM 489 SD MET A 32 17.201 -10.359 10.110 1.00 25.00 S ATOM 490 CE MET A 32 16.496 -11.920 10.826 1.00 25.00 C ATOM 0 H MET A 32 13.871 -11.635 8.346 1.00 25.00 H new ATOM 0 HA MET A 32 12.584 -9.431 9.856 1.00 25.00 H new ATOM 0 HB2 MET A 32 14.766 -8.267 9.743 1.00 25.00 H new ATOM 0 HB3 MET A 32 14.790 -9.689 10.767 1.00 25.00 H new ATOM 0 HG2 MET A 32 15.613 -10.748 8.362 1.00 25.00 H new ATOM 0 HG3 MET A 32 16.280 -9.130 8.275 1.00 25.00 H new ATOM 0 HE1 MET A 32 16.460 -11.838 11.912 1.00 25.00 H new ATOM 0 HE2 MET A 32 15.488 -12.074 10.440 1.00 25.00 H new ATOM 0 HE3 MET A 32 17.125 -12.765 10.546 1.00 25.00 H new ATOM 500 N THR A 33 12.752 -7.896 7.814 1.00 25.00 N ATOM 501 CA THR A 33 12.503 -7.155 6.577 1.00 25.00 C ATOM 502 C THR A 33 13.766 -6.417 6.165 1.00 25.00 C ATOM 503 O THR A 33 14.204 -5.531 6.873 1.00 25.00 O ATOM 504 CB THR A 33 11.388 -6.112 6.785 1.00 25.00 C ATOM 505 OG1 THR A 33 10.187 -6.777 7.180 1.00 25.00 O ATOM 506 CG2 THR A 33 11.124 -5.326 5.519 1.00 25.00 C ATOM 0 H THR A 33 12.601 -7.354 8.665 1.00 25.00 H new ATOM 0 HA THR A 33 12.202 -7.866 5.808 1.00 25.00 H new ATOM 0 HB THR A 33 11.713 -5.418 7.560 1.00 25.00 H new ATOM 0 HG1 THR A 33 9.476 -6.116 7.315 1.00 25.00 H new ATOM 0 HG21 THR A 33 10.332 -4.599 5.700 1.00 25.00 H new ATOM 0 HG22 THR A 33 12.033 -4.805 5.218 1.00 25.00 H new ATOM 0 HG23 THR A 33 10.817 -6.007 4.725 1.00 25.00 H new ATOM 514 N VAL A 34 14.349 -6.777 5.037 1.00 25.00 N ATOM 515 CA VAL A 34 15.560 -6.120 4.547 1.00 25.00 C ATOM 516 C VAL A 34 15.174 -4.839 3.855 1.00 25.00 C ATOM 517 O VAL A 34 14.369 -4.832 2.928 1.00 25.00 O ATOM 518 CB VAL A 34 16.330 -7.002 3.556 1.00 25.00 C ATOM 519 CG1 VAL A 34 17.672 -6.365 3.147 1.00 25.00 C ATOM 520 CG2 VAL A 34 16.564 -8.357 4.172 1.00 25.00 C ATOM 0 H VAL A 34 14.005 -7.525 4.435 1.00 25.00 H new ATOM 0 HA VAL A 34 16.207 -5.927 5.403 1.00 25.00 H new ATOM 0 HB VAL A 34 15.730 -7.104 2.652 1.00 25.00 H new ATOM 0 HG11 VAL A 34 18.187 -7.020 2.445 1.00 25.00 H new ATOM 0 HG12 VAL A 34 17.488 -5.400 2.675 1.00 25.00 H new ATOM 0 HG13 VAL A 34 18.292 -6.223 4.032 1.00 25.00 H new ATOM 0 HG21 VAL A 34 17.111 -8.986 3.470 1.00 25.00 H new ATOM 0 HG22 VAL A 34 17.145 -8.245 5.088 1.00 25.00 H new ATOM 0 HG23 VAL A 34 15.606 -8.821 4.405 1.00 25.00 H new ATOM 530 N LEU A 35 15.743 -3.754 4.329 1.00 25.00 N ATOM 531 CA LEU A 35 15.455 -2.442 3.813 1.00 25.00 C ATOM 532 C LEU A 35 16.486 -2.066 2.764 1.00 25.00 C ATOM 533 O LEU A 35 16.129 -1.631 1.683 1.00 25.00 O ATOM 534 CB LEU A 35 15.472 -1.448 4.964 1.00 25.00 C ATOM 535 CG LEU A 35 14.429 -1.738 6.054 1.00 25.00 C ATOM 536 CD1 LEU A 35 14.690 -0.838 7.218 1.00 25.00 C ATOM 537 CD2 LEU A 35 13.004 -1.542 5.555 1.00 25.00 C ATOM 0 H LEU A 35 16.423 -3.761 5.089 1.00 25.00 H new ATOM 0 HA LEU A 35 14.471 -2.430 3.344 1.00 25.00 H new ATOM 0 HB2 LEU A 35 16.464 -1.447 5.416 1.00 25.00 H new ATOM 0 HB3 LEU A 35 15.301 -0.447 4.569 1.00 25.00 H new ATOM 0 HG LEU A 35 14.523 -2.784 6.348 1.00 25.00 H new ATOM 0 HD11 LEU A 35 13.956 -1.033 8.000 1.00 25.00 H new ATOM 0 HD12 LEU A 35 15.692 -1.025 7.605 1.00 25.00 H new ATOM 0 HD13 LEU A 35 14.613 0.201 6.899 1.00 25.00 H new ATOM 0 HD21 LEU A 35 12.303 -1.759 6.361 1.00 25.00 H new ATOM 0 HD22 LEU A 35 12.872 -0.511 5.227 1.00 25.00 H new ATOM 0 HD23 LEU A 35 12.815 -2.216 4.719 1.00 25.00 H new ATOM 549 N GLU A 36 17.754 -2.310 3.052 1.00 25.00 N ATOM 550 CA GLU A 36 18.806 -2.117 2.048 1.00 25.00 C ATOM 551 C GLU A 36 19.981 -3.026 2.367 1.00 25.00 C ATOM 552 O GLU A 36 20.000 -3.658 3.415 1.00 25.00 O ATOM 553 CB GLU A 36 19.228 -0.645 1.947 1.00 25.00 C ATOM 554 CG GLU A 36 20.098 -0.118 3.018 1.00 25.00 C ATOM 555 CD GLU A 36 20.284 1.400 2.930 1.00 25.00 C ATOM 556 OE1 GLU A 36 19.653 2.043 2.063 1.00 25.00 O ATOM 557 OE2 GLU A 36 21.042 1.949 3.757 1.00 25.00 O ATOM 0 H GLU A 36 18.085 -2.638 3.959 1.00 25.00 H new ATOM 0 HA GLU A 36 18.414 -2.388 1.068 1.00 25.00 H new ATOM 0 HB2 GLU A 36 19.741 -0.505 0.995 1.00 25.00 H new ATOM 0 HB3 GLU A 36 18.325 -0.036 1.915 1.00 25.00 H new ATOM 0 HG2 GLU A 36 19.670 -0.373 3.988 1.00 25.00 H new ATOM 0 HG3 GLU A 36 21.072 -0.604 2.962 1.00 25.00 H new ATOM 564 N ARG A 37 20.942 -3.117 1.461 1.00 25.00 N ATOM 565 CA ARG A 37 22.112 -3.971 1.655 1.00 25.00 C ATOM 566 C ARG A 37 23.323 -3.107 1.454 1.00 25.00 C ATOM 567 O ARG A 37 23.242 -2.128 0.721 1.00 25.00 O ATOM 568 CB ARG A 37 22.134 -5.102 0.634 1.00 25.00 C ATOM 569 CG ARG A 37 20.918 -6.014 0.692 1.00 25.00 C ATOM 570 CD ARG A 37 21.139 -7.257 -0.153 1.00 25.00 C ATOM 571 NE ARG A 37 21.594 -6.907 -1.512 1.00 25.00 N ATOM 572 CZ ARG A 37 22.082 -7.766 -2.401 1.00 25.00 C ATOM 573 NH1 ARG A 37 22.182 -9.050 -2.155 1.00 25.00 N ATOM 574 NH2 ARG A 37 22.480 -7.315 -3.557 1.00 25.00 N ATOM 0 H ARG A 37 20.938 -2.608 0.577 1.00 25.00 H new ATOM 0 HA ARG A 37 22.090 -4.415 2.650 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.206 -4.673 -0.366 1.00 25.00 H new ATOM 0 HB3 ARG A 37 23.032 -5.700 0.790 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.721 -6.301 1.725 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.038 -5.478 0.337 1.00 25.00 H new ATOM 0 HD2 ARG A 37 21.878 -7.899 0.326 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.212 -7.828 -0.213 1.00 25.00 H new ATOM 0 HE ARG A 37 21.529 -5.928 -1.791 1.00 25.00 H new ATOM 0 HH11 ARG A 37 21.880 -9.422 -1.255 1.00 25.00 H new ATOM 0 HH12 ARG A 37 22.562 -9.677 -2.864 1.00 25.00 H new ATOM 0 HH21 ARG A 37 22.414 -6.319 -3.766 1.00 25.00 H new ATOM 0 HH22 ARG A 37 22.858 -7.958 -4.253 1.00 25.00 H new ATOM 588 N ASP A 38 24.412 -3.470 2.121 1.00 25.00 N ATOM 589 CA ASP A 38 25.687 -2.743 2.048 1.00 25.00 C ATOM 590 C ASP A 38 25.416 -1.304 2.507 1.00 25.00 C ATOM 591 O ASP A 38 25.927 -0.314 1.985 1.00 25.00 O ATOM 592 CB ASP A 38 26.281 -2.906 0.649 1.00 25.00 C ATOM 593 CG ASP A 38 26.316 -4.379 0.214 1.00 25.00 C ATOM 594 OD1 ASP A 38 25.650 -4.725 -0.797 1.00 25.00 O ATOM 595 OD2 ASP A 38 26.845 -5.223 0.989 1.00 25.00 O ATOM 0 H ASP A 38 24.442 -4.284 2.735 1.00 25.00 H new ATOM 0 HA ASP A 38 26.456 -3.137 2.712 1.00 25.00 H new ATOM 0 HB2 ASP A 38 25.693 -2.330 -0.065 1.00 25.00 H new ATOM 0 HB3 ASP A 38 27.292 -2.498 0.633 1.00 25.00 H new ATOM 600 N THR A 39 24.521 -1.242 3.485 1.00 25.00 N ATOM 601 CA THR A 39 24.008 0.003 4.047 1.00 25.00 C ATOM 602 C THR A 39 25.111 0.810 4.694 1.00 25.00 C ATOM 603 O THR A 39 26.030 0.256 5.258 1.00 25.00 O ATOM 604 CB THR A 39 22.911 -0.300 5.100 1.00 25.00 C ATOM 605 OG1 THR A 39 22.481 0.908 5.732 1.00 25.00 O ATOM 606 CG2 THR A 39 23.368 -1.264 6.144 1.00 25.00 C ATOM 0 H THR A 39 24.122 -2.074 3.920 1.00 25.00 H new ATOM 0 HA THR A 39 23.585 0.586 3.229 1.00 25.00 H new ATOM 0 HB THR A 39 22.082 -0.759 4.562 1.00 25.00 H new ATOM 0 HG1 THR A 39 21.847 1.375 5.148 1.00 25.00 H new ATOM 0 HG21 THR A 39 22.561 -1.440 6.855 1.00 25.00 H new ATOM 0 HG22 THR A 39 23.648 -2.206 5.672 1.00 25.00 H new ATOM 0 HG23 THR A 39 24.230 -0.851 6.668 1.00 25.00 H new ATOM 614 N GLN A 40 25.022 2.130 4.580 1.00 25.00 N ATOM 615 CA GLN A 40 26.029 3.064 5.115 1.00 25.00 C ATOM 616 C GLN A 40 27.441 2.817 4.554 1.00 25.00 C ATOM 617 O GLN A 40 28.416 3.330 5.087 1.00 25.00 O ATOM 618 CB GLN A 40 26.062 3.052 6.659 1.00 25.00 C ATOM 619 CG GLN A 40 24.696 2.902 7.322 1.00 25.00 C ATOM 620 CD GLN A 40 24.691 3.348 8.771 1.00 25.00 C ATOM 621 OE1 GLN A 40 24.844 4.520 9.066 1.00 25.00 O ATOM 622 NE2 GLN A 40 24.491 2.421 9.674 1.00 25.00 N ATOM 0 H GLN A 40 24.245 2.595 4.111 1.00 25.00 H new ATOM 0 HA GLN A 40 25.714 4.052 4.779 1.00 25.00 H new ATOM 0 HB2 GLN A 40 26.703 2.235 6.989 1.00 25.00 H new ATOM 0 HB3 GLN A 40 26.520 3.978 7.007 1.00 25.00 H new ATOM 0 HG2 GLN A 40 23.962 3.484 6.765 1.00 25.00 H new ATOM 0 HG3 GLN A 40 24.384 1.859 7.267 1.00 25.00 H new ATOM 0 HE21 GLN A 40 24.367 1.450 9.389 1.00 25.00 H new ATOM 0 HE22 GLN A 40 24.459 2.670 10.663 1.00 25.00 H new ATOM 631 N GLY A 41 27.543 2.034 3.486 1.00 25.00 N ATOM 632 CA GLY A 41 28.839 1.699 2.910 1.00 25.00 C ATOM 633 C GLY A 41 29.491 0.544 3.646 1.00 25.00 C ATOM 634 O GLY A 41 30.681 0.284 3.492 1.00 25.00 O ATOM 0 H GLY A 41 26.746 1.620 3.003 1.00 25.00 H new ATOM 0 HA2 GLY A 41 28.715 1.439 1.859 1.00 25.00 H new ATOM 0 HA3 GLY A 41 29.492 2.571 2.948 1.00 25.00 H new ATOM 638 N LEU A 42 28.717 -0.141 4.476 1.00 25.00 N ATOM 639 CA LEU A 42 29.220 -1.250 5.267 1.00 25.00 C ATOM 640 C LEU A 42 29.044 -2.536 4.468 1.00 25.00 C ATOM 641 O LEU A 42 27.976 -3.147 4.469 1.00 25.00 O ATOM 642 CB LEU A 42 28.447 -1.327 6.584 1.00 25.00 C ATOM 643 CG LEU A 42 28.486 -0.061 7.449 1.00 25.00 C ATOM 644 CD1 LEU A 42 27.451 -0.162 8.546 1.00 25.00 C ATOM 645 CD2 LEU A 42 29.847 0.126 8.045 1.00 25.00 C ATOM 0 H LEU A 42 27.727 0.057 4.618 1.00 25.00 H new ATOM 0 HA LEU A 42 30.277 -1.108 5.494 1.00 25.00 H new ATOM 0 HB2 LEU A 42 27.406 -1.561 6.361 1.00 25.00 H new ATOM 0 HB3 LEU A 42 28.842 -2.158 7.169 1.00 25.00 H new ATOM 0 HG LEU A 42 28.263 0.801 6.820 1.00 25.00 H new ATOM 0 HD11 LEU A 42 27.481 0.739 9.159 1.00 25.00 H new ATOM 0 HD12 LEU A 42 26.461 -0.267 8.103 1.00 25.00 H new ATOM 0 HD13 LEU A 42 27.664 -1.031 9.168 1.00 25.00 H new ATOM 0 HD21 LEU A 42 29.856 1.029 8.655 1.00 25.00 H new ATOM 0 HD22 LEU A 42 30.093 -0.735 8.667 1.00 25.00 H new ATOM 0 HD23 LEU A 42 30.584 0.220 7.247 1.00 25.00 H new ATOM 657 N ASP A 43 30.082 -2.920 3.749 1.00 25.00 N ATOM 658 CA ASP A 43 30.021 -4.098 2.883 1.00 25.00 C ATOM 659 C ASP A 43 29.612 -5.336 3.672 1.00 25.00 C ATOM 660 O ASP A 43 30.179 -5.648 4.724 1.00 25.00 O ATOM 661 CB ASP A 43 31.383 -4.363 2.224 1.00 25.00 C ATOM 662 CG ASP A 43 31.644 -3.473 1.017 1.00 25.00 C ATOM 663 OD1 ASP A 43 32.831 -3.220 0.735 1.00 25.00 O ATOM 664 OD2 ASP A 43 30.684 -3.077 0.323 1.00 25.00 O ATOM 0 H ASP A 43 30.981 -2.438 3.743 1.00 25.00 H new ATOM 0 HA ASP A 43 29.275 -3.895 2.114 1.00 25.00 H new ATOM 0 HB2 ASP A 43 32.172 -4.209 2.960 1.00 25.00 H new ATOM 0 HB3 ASP A 43 31.434 -5.407 1.916 1.00 25.00 H new ATOM 669 N GLY A 44 28.608 -6.043 3.169 1.00 25.00 N ATOM 670 CA GLY A 44 28.147 -7.260 3.819 1.00 25.00 C ATOM 671 C GLY A 44 27.128 -7.043 4.926 1.00 25.00 C ATOM 672 O GLY A 44 26.472 -8.004 5.353 1.00 25.00 O ATOM 0 H GLY A 44 28.101 -5.796 2.319 1.00 25.00 H new ATOM 0 HA2 GLY A 44 27.710 -7.915 3.065 1.00 25.00 H new ATOM 0 HA3 GLY A 44 29.009 -7.782 4.234 1.00 25.00 H new ATOM 676 N TRP A 45 26.957 -5.814 5.390 1.00 25.00 N ATOM 677 CA TRP A 45 25.972 -5.501 6.410 1.00 25.00 C ATOM 678 C TRP A 45 24.680 -5.088 5.721 1.00 25.00 C ATOM 679 O TRP A 45 24.687 -4.275 4.811 1.00 25.00 O ATOM 680 CB TRP A 45 26.500 -4.355 7.256 1.00 25.00 C ATOM 681 CG TRP A 45 27.566 -4.803 8.205 1.00 25.00 C ATOM 682 CD1 TRP A 45 28.902 -4.608 8.104 1.00 25.00 C ATOM 683 CD2 TRP A 45 27.378 -5.535 9.425 1.00 25.00 C ATOM 684 NE1 TRP A 45 29.570 -5.134 9.168 1.00 25.00 N ATOM 685 CE2 TRP A 45 28.667 -5.729 10.005 1.00 25.00 C ATOM 686 CE3 TRP A 45 26.253 -6.041 10.092 1.00 25.00 C ATOM 687 CZ2 TRP A 45 28.841 -6.416 11.224 1.00 25.00 C ATOM 688 CZ3 TRP A 45 26.421 -6.715 11.314 1.00 25.00 C ATOM 689 CH2 TRP A 45 27.712 -6.903 11.867 1.00 25.00 C ATOM 0 H TRP A 45 27.496 -5.009 5.070 1.00 25.00 H new ATOM 0 HA TRP A 45 25.784 -6.365 7.048 1.00 25.00 H new ATOM 0 HB2 TRP A 45 26.898 -3.577 6.605 1.00 25.00 H new ATOM 0 HB3 TRP A 45 25.678 -3.911 7.818 1.00 25.00 H new ATOM 0 HD1 TRP A 45 29.380 -4.098 7.281 1.00 25.00 H new ATOM 0 HE1 TRP A 45 30.578 -5.091 9.316 1.00 25.00 H new ATOM 0 HE3 TRP A 45 25.267 -5.914 9.671 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 29.825 -6.559 11.645 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 25.556 -7.094 11.838 1.00 25.00 H new ATOM 0 HH2 TRP A 45 27.819 -7.433 12.802 1.00 25.00 H new ATOM 700 N TRP A 46 23.573 -5.681 6.124 1.00 25.00 N ATOM 701 CA TRP A 46 22.287 -5.406 5.493 1.00 25.00 C ATOM 702 C TRP A 46 21.350 -4.747 6.500 1.00 25.00 C ATOM 703 O TRP A 46 21.173 -5.252 7.599 1.00 25.00 O ATOM 704 CB TRP A 46 21.685 -6.712 4.963 1.00 25.00 C ATOM 705 CG TRP A 46 22.527 -7.388 3.884 1.00 25.00 C ATOM 706 CD1 TRP A 46 23.636 -6.904 3.264 1.00 25.00 C ATOM 707 CD2 TRP A 46 22.312 -8.689 3.300 1.00 25.00 C ATOM 708 NE1 TRP A 46 24.127 -7.772 2.341 1.00 25.00 N ATOM 709 CE2 TRP A 46 23.345 -8.893 2.333 1.00 25.00 C ATOM 710 CE3 TRP A 46 21.352 -9.701 3.487 1.00 25.00 C ATOM 711 CZ2 TRP A 46 23.426 -10.067 1.555 1.00 25.00 C ATOM 712 CZ3 TRP A 46 21.443 -10.888 2.723 1.00 25.00 C ATOM 713 CH2 TRP A 46 22.478 -11.054 1.760 1.00 25.00 C ATOM 0 H TRP A 46 23.533 -6.358 6.886 1.00 25.00 H new ATOM 0 HA TRP A 46 22.428 -4.723 4.655 1.00 25.00 H new ATOM 0 HB2 TRP A 46 21.554 -7.404 5.795 1.00 25.00 H new ATOM 0 HB3 TRP A 46 20.693 -6.506 4.560 1.00 25.00 H new ATOM 0 HD1 TRP A 46 24.076 -5.941 3.480 1.00 25.00 H new ATOM 0 HE1 TRP A 46 24.944 -7.613 1.752 1.00 25.00 H new ATOM 0 HE3 TRP A 46 20.556 -9.573 4.205 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 24.207 -10.192 0.819 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 20.720 -11.676 2.872 1.00 25.00 H new ATOM 0 HH2 TRP A 46 22.524 -11.964 1.180 1.00 25.00 H new ATOM 724 N LEU A 47 20.770 -3.614 6.136 1.00 25.00 N ATOM 725 CA LEU A 47 19.843 -2.903 7.016 1.00 25.00 C ATOM 726 C LEU A 47 18.544 -3.663 7.008 1.00 25.00 C ATOM 727 O LEU A 47 17.944 -3.852 5.956 1.00 25.00 O ATOM 728 CB LEU A 47 19.595 -1.485 6.496 1.00 25.00 C ATOM 729 CG LEU A 47 18.617 -0.597 7.278 1.00 25.00 C ATOM 730 CD1 LEU A 47 19.045 -0.430 8.725 1.00 25.00 C ATOM 731 CD2 LEU A 47 18.498 0.768 6.604 1.00 25.00 C ATOM 0 H LEU A 47 20.923 -3.162 5.234 1.00 25.00 H new ATOM 0 HA LEU A 47 20.259 -2.834 8.021 1.00 25.00 H new ATOM 0 HB2 LEU A 47 20.555 -0.971 6.455 1.00 25.00 H new ATOM 0 HB3 LEU A 47 19.231 -1.563 5.472 1.00 25.00 H new ATOM 0 HG LEU A 47 17.644 -1.089 7.275 1.00 25.00 H new ATOM 0 HD11 LEU A 47 18.328 0.205 9.246 1.00 25.00 H new ATOM 0 HD12 LEU A 47 19.083 -1.406 9.208 1.00 25.00 H new ATOM 0 HD13 LEU A 47 20.032 0.032 8.762 1.00 25.00 H new ATOM 0 HD21 LEU A 47 17.802 1.392 7.165 1.00 25.00 H new ATOM 0 HD22 LEU A 47 19.476 1.248 6.579 1.00 25.00 H new ATOM 0 HD23 LEU A 47 18.130 0.640 5.586 1.00 25.00 H new ATOM 743 N CYS A 48 18.103 -4.101 8.171 1.00 25.00 N ATOM 744 CA CYS A 48 16.852 -4.824 8.278 1.00 25.00 C ATOM 745 C CYS A 48 16.028 -4.303 9.434 1.00 25.00 C ATOM 746 O CYS A 48 16.505 -3.515 10.253 1.00 25.00 O ATOM 747 CB CYS A 48 17.116 -6.331 8.455 1.00 25.00 C ATOM 748 SG CYS A 48 18.334 -7.016 7.289 1.00 25.00 S ATOM 0 H CYS A 48 18.593 -3.968 9.056 1.00 25.00 H new ATOM 0 HA CYS A 48 16.291 -4.670 7.356 1.00 25.00 H new ATOM 0 HB2 CYS A 48 17.463 -6.511 9.473 1.00 25.00 H new ATOM 0 HB3 CYS A 48 16.175 -6.869 8.339 1.00 25.00 H new ATOM 0 HG CYS A 48 19.454 -6.365 7.399 1.00 25.00 H new ATOM 754 N SER A 49 14.792 -4.760 9.495 1.00 25.00 N ATOM 755 CA SER A 49 13.877 -4.394 10.556 1.00 25.00 C ATOM 756 C SER A 49 13.300 -5.671 11.163 1.00 25.00 C ATOM 757 O SER A 49 12.880 -6.591 10.447 1.00 25.00 O ATOM 758 CB SER A 49 12.790 -3.471 10.007 1.00 25.00 C ATOM 759 OG SER A 49 11.533 -4.117 9.887 1.00 25.00 O ATOM 0 H SER A 49 14.394 -5.398 8.806 1.00 25.00 H new ATOM 0 HA SER A 49 14.395 -3.845 11.342 1.00 25.00 H new ATOM 0 HB2 SER A 49 12.688 -2.606 10.662 1.00 25.00 H new ATOM 0 HB3 SER A 49 13.096 -3.096 9.030 1.00 25.00 H new ATOM 0 HG SER A 49 10.873 -3.485 9.534 1.00 25.00 H new ATOM 765 N LEU A 50 13.363 -5.750 12.485 1.00 25.00 N ATOM 766 CA LEU A 50 12.935 -6.925 13.238 1.00 25.00 C ATOM 767 C LEU A 50 12.446 -6.453 14.599 1.00 25.00 C ATOM 768 O LEU A 50 13.080 -5.594 15.196 1.00 25.00 O ATOM 769 CB LEU A 50 14.125 -7.864 13.431 1.00 25.00 C ATOM 770 CG LEU A 50 13.829 -9.166 14.190 1.00 25.00 C ATOM 771 CD1 LEU A 50 13.870 -10.344 13.277 1.00 25.00 C ATOM 772 CD2 LEU A 50 14.832 -9.321 15.314 1.00 25.00 C ATOM 0 H LEU A 50 13.716 -4.994 13.072 1.00 25.00 H new ATOM 0 HA LEU A 50 12.144 -7.453 12.706 1.00 25.00 H new ATOM 0 HB2 LEU A 50 14.525 -8.120 12.450 1.00 25.00 H new ATOM 0 HB3 LEU A 50 14.908 -7.324 13.964 1.00 25.00 H new ATOM 0 HG LEU A 50 12.823 -9.115 14.605 1.00 25.00 H new ATOM 0 HD11 LEU A 50 13.657 -11.251 13.843 1.00 25.00 H new ATOM 0 HD12 LEU A 50 13.124 -10.222 12.492 1.00 25.00 H new ATOM 0 HD13 LEU A 50 14.860 -10.422 12.827 1.00 25.00 H new ATOM 0 HD21 LEU A 50 14.629 -10.243 15.858 1.00 25.00 H new ATOM 0 HD22 LEU A 50 15.840 -9.358 14.900 1.00 25.00 H new ATOM 0 HD23 LEU A 50 14.750 -8.473 15.994 1.00 25.00 H new ATOM 784 N HIS A 51 11.316 -6.978 15.061 1.00 25.00 N ATOM 785 CA HIS A 51 10.727 -6.612 16.367 1.00 25.00 C ATOM 786 C HIS A 51 10.484 -5.096 16.495 1.00 25.00 C ATOM 787 O HIS A 51 10.547 -4.537 17.579 1.00 25.00 O ATOM 788 CB HIS A 51 11.621 -7.092 17.529 1.00 25.00 C ATOM 789 CG HIS A 51 11.852 -8.571 17.547 1.00 25.00 C ATOM 790 ND1 HIS A 51 12.869 -9.185 18.237 1.00 25.00 N ATOM 791 CD2 HIS A 51 11.166 -9.589 16.952 1.00 25.00 C ATOM 792 CE1 HIS A 51 12.770 -10.498 18.041 1.00 25.00 C ATOM 793 NE2 HIS A 51 11.744 -10.800 17.271 1.00 25.00 N ATOM 0 H HIS A 51 10.773 -7.672 14.547 1.00 25.00 H new ATOM 0 HA HIS A 51 9.761 -7.113 16.422 1.00 25.00 H new ATOM 0 HB2 HIS A 51 12.584 -6.585 17.467 1.00 25.00 H new ATOM 0 HB3 HIS A 51 11.164 -6.794 18.473 1.00 25.00 H new ATOM 0 HD2 HIS A 51 10.297 -9.465 16.323 1.00 25.00 H new ATOM 0 HE1 HIS A 51 13.447 -11.226 18.461 1.00 25.00 H new ATOM 0 HE2 HIS A 51 11.443 -11.728 16.975 1.00 25.00 H new ATOM 801 N GLY A 52 10.208 -4.439 15.374 1.00 25.00 N ATOM 802 CA GLY A 52 9.970 -3.000 15.387 1.00 25.00 C ATOM 803 C GLY A 52 11.229 -2.170 15.597 1.00 25.00 C ATOM 804 O GLY A 52 11.150 -0.976 15.871 1.00 25.00 O ATOM 0 H GLY A 52 10.144 -4.874 14.454 1.00 25.00 H new ATOM 0 HA2 GLY A 52 9.508 -2.709 14.444 1.00 25.00 H new ATOM 0 HA3 GLY A 52 9.256 -2.766 16.177 1.00 25.00 H new ATOM 808 N ARG A 53 12.394 -2.796 15.463 1.00 25.00 N ATOM 809 CA ARG A 53 13.676 -2.121 15.630 1.00 25.00 C ATOM 810 C ARG A 53 14.383 -2.268 14.307 1.00 25.00 C ATOM 811 O ARG A 53 14.190 -3.251 13.607 1.00 25.00 O ATOM 812 CB ARG A 53 14.479 -2.788 16.756 1.00 25.00 C ATOM 813 CG ARG A 53 15.262 -1.819 17.661 1.00 25.00 C ATOM 814 CD ARG A 53 16.721 -1.667 17.216 1.00 25.00 C ATOM 815 NE ARG A 53 17.523 -0.902 18.193 1.00 25.00 N ATOM 816 CZ ARG A 53 17.764 0.404 18.147 1.00 25.00 C ATOM 817 NH1 ARG A 53 17.304 1.177 17.195 1.00 25.00 N ATOM 818 NH2 ARG A 53 18.483 0.950 19.091 1.00 25.00 N ATOM 0 H ARG A 53 12.476 -3.787 15.235 1.00 25.00 H new ATOM 0 HA ARG A 53 13.557 -1.072 15.903 1.00 25.00 H new ATOM 0 HB2 ARG A 53 13.794 -3.367 17.376 1.00 25.00 H new ATOM 0 HB3 ARG A 53 15.181 -3.494 16.312 1.00 25.00 H new ATOM 0 HG2 ARG A 53 14.777 -0.843 17.652 1.00 25.00 H new ATOM 0 HG3 ARG A 53 15.233 -2.180 18.689 1.00 25.00 H new ATOM 0 HD2 ARG A 53 17.162 -2.654 17.079 1.00 25.00 H new ATOM 0 HD3 ARG A 53 16.754 -1.166 16.249 1.00 25.00 H new ATOM 0 HE ARG A 53 17.927 -1.422 18.972 1.00 25.00 H new ATOM 0 HH11 ARG A 53 16.734 0.781 16.447 1.00 25.00 H new ATOM 0 HH12 ARG A 53 17.515 2.175 17.202 1.00 25.00 H new ATOM 0 HH21 ARG A 53 18.851 0.375 19.849 1.00 25.00 H new ATOM 0 HH22 ARG A 53 18.677 1.951 19.070 1.00 25.00 H new ATOM 832 N GLN A 54 15.188 -1.284 13.963 1.00 25.00 N ATOM 833 CA GLN A 54 15.941 -1.294 12.718 1.00 25.00 C ATOM 834 C GLN A 54 17.415 -1.378 13.042 1.00 25.00 C ATOM 835 O GLN A 54 17.846 -0.814 14.046 1.00 25.00 O ATOM 836 CB GLN A 54 15.673 -0.007 11.945 1.00 25.00 C ATOM 837 CG GLN A 54 14.955 -0.224 10.648 1.00 25.00 C ATOM 838 CD GLN A 54 14.692 1.071 9.911 1.00 25.00 C ATOM 839 OE1 GLN A 54 13.560 1.390 9.588 1.00 25.00 O ATOM 840 NE2 GLN A 54 15.729 1.824 9.651 1.00 25.00 N ATOM 0 H GLN A 54 15.341 -0.454 14.535 1.00 25.00 H new ATOM 0 HA GLN A 54 15.638 -2.148 12.113 1.00 25.00 H new ATOM 0 HB2 GLN A 54 15.084 0.665 12.569 1.00 25.00 H new ATOM 0 HB3 GLN A 54 16.622 0.492 11.746 1.00 25.00 H new ATOM 0 HG2 GLN A 54 15.546 -0.886 10.015 1.00 25.00 H new ATOM 0 HG3 GLN A 54 14.008 -0.729 10.840 1.00 25.00 H new ATOM 0 HE21 GLN A 54 16.661 1.524 9.937 1.00 25.00 H new ATOM 0 HE22 GLN A 54 15.606 2.711 9.163 1.00 25.00 H new ATOM 849 N GLY A 55 18.176 -2.054 12.197 1.00 25.00 N ATOM 850 CA GLY A 55 19.608 -2.151 12.404 1.00 25.00 C ATOM 851 C GLY A 55 20.301 -2.981 11.344 1.00 25.00 C ATOM 852 O GLY A 55 19.635 -3.586 10.499 1.00 25.00 O ATOM 0 H GLY A 55 17.829 -2.539 11.369 1.00 25.00 H new ATOM 0 HA2 GLY A 55 20.038 -1.149 12.412 1.00 25.00 H new ATOM 0 HA3 GLY A 55 19.800 -2.588 13.384 1.00 25.00 H new ATOM 856 N ILE A 56 21.624 -3.006 11.368 1.00 25.00 N ATOM 857 CA ILE A 56 22.411 -3.766 10.406 1.00 25.00 C ATOM 858 C ILE A 56 22.465 -5.232 10.829 1.00 25.00 C ATOM 859 O ILE A 56 22.255 -5.575 11.997 1.00 25.00 O ATOM 860 CB ILE A 56 23.856 -3.185 10.245 1.00 25.00 C ATOM 861 CG1 ILE A 56 24.651 -3.344 11.557 1.00 25.00 C ATOM 862 CG2 ILE A 56 23.764 -1.702 9.835 1.00 25.00 C ATOM 863 CD1 ILE A 56 26.078 -2.814 11.506 1.00 25.00 C ATOM 0 H ILE A 56 22.184 -2.500 12.054 1.00 25.00 H new ATOM 0 HA ILE A 56 21.924 -3.687 9.434 1.00 25.00 H new ATOM 0 HB ILE A 56 24.384 -3.737 9.467 1.00 25.00 H new ATOM 0 HG12 ILE A 56 24.115 -2.830 12.355 1.00 25.00 H new ATOM 0 HG13 ILE A 56 24.680 -4.401 11.822 1.00 25.00 H new ATOM 0 HG21 ILE A 56 24.768 -1.293 9.722 1.00 25.00 H new ATOM 0 HG22 ILE A 56 23.229 -1.619 8.889 1.00 25.00 H new ATOM 0 HG23 ILE A 56 23.230 -1.144 10.604 1.00 25.00 H new ATOM 0 HD11 ILE A 56 26.558 -2.969 12.472 1.00 25.00 H new ATOM 0 HD12 ILE A 56 26.636 -3.344 10.734 1.00 25.00 H new ATOM 0 HD13 ILE A 56 26.062 -1.749 11.275 1.00 25.00 H new ATOM 875 N VAL A 57 22.697 -6.089 9.855 1.00 25.00 N ATOM 876 CA VAL A 57 22.728 -7.535 10.055 1.00 25.00 C ATOM 877 C VAL A 57 23.841 -8.121 9.194 1.00 25.00 C ATOM 878 O VAL A 57 23.996 -7.719 8.043 1.00 25.00 O ATOM 879 CB VAL A 57 21.392 -8.166 9.579 1.00 25.00 C ATOM 880 CG1 VAL A 57 21.429 -9.667 9.619 1.00 25.00 C ATOM 881 CG2 VAL A 57 20.216 -7.614 10.396 1.00 25.00 C ATOM 0 H VAL A 57 22.872 -5.805 8.891 1.00 25.00 H new ATOM 0 HA VAL A 57 22.887 -7.744 11.113 1.00 25.00 H new ATOM 0 HB VAL A 57 21.249 -7.885 8.536 1.00 25.00 H new ATOM 0 HG11 VAL A 57 20.473 -10.064 9.277 1.00 25.00 H new ATOM 0 HG12 VAL A 57 22.225 -10.029 8.968 1.00 25.00 H new ATOM 0 HG13 VAL A 57 21.616 -9.999 10.640 1.00 25.00 H new ATOM 0 HG21 VAL A 57 19.287 -8.067 10.049 1.00 25.00 H new ATOM 0 HG22 VAL A 57 20.363 -7.850 11.450 1.00 25.00 H new ATOM 0 HG23 VAL A 57 20.161 -6.533 10.270 1.00 25.00 H new ATOM 891 N PRO A 58 24.600 -9.096 9.713 1.00 25.00 N ATOM 892 CA PRO A 58 25.601 -9.729 8.856 1.00 25.00 C ATOM 893 C PRO A 58 24.941 -10.594 7.778 1.00 25.00 C ATOM 894 O PRO A 58 24.344 -11.637 8.068 1.00 25.00 O ATOM 895 CB PRO A 58 26.409 -10.567 9.848 1.00 25.00 C ATOM 896 CG PRO A 58 25.449 -10.911 10.930 1.00 25.00 C ATOM 897 CD PRO A 58 24.566 -9.700 11.057 1.00 25.00 C ATOM 0 HA PRO A 58 26.215 -9.019 8.301 1.00 25.00 H new ATOM 0 HB2 PRO A 58 26.808 -11.464 9.374 1.00 25.00 H new ATOM 0 HB3 PRO A 58 27.259 -10.007 10.238 1.00 25.00 H new ATOM 0 HG2 PRO A 58 24.869 -11.799 10.677 1.00 25.00 H new ATOM 0 HG3 PRO A 58 25.966 -11.124 11.866 1.00 25.00 H new ATOM 0 HD2 PRO A 58 23.551 -9.974 11.347 1.00 25.00 H new ATOM 0 HD3 PRO A 58 24.939 -9.011 11.815 1.00 25.00 H new ATOM 905 N GLY A 59 25.063 -10.178 6.524 1.00 25.00 N ATOM 906 CA GLY A 59 24.493 -10.920 5.411 1.00 25.00 C ATOM 907 C GLY A 59 25.043 -12.328 5.313 1.00 25.00 C ATOM 908 O GLY A 59 24.400 -13.225 4.787 1.00 25.00 O ATOM 0 H GLY A 59 25.554 -9.326 6.253 1.00 25.00 H new ATOM 0 HA2 GLY A 59 23.410 -10.963 5.524 1.00 25.00 H new ATOM 0 HA3 GLY A 59 24.696 -10.388 4.481 1.00 25.00 H new ATOM 912 N ASN A 60 26.223 -12.543 5.880 1.00 25.00 N ATOM 913 CA ASN A 60 26.864 -13.861 5.893 1.00 25.00 C ATOM 914 C ASN A 60 26.085 -14.902 6.723 1.00 25.00 C ATOM 915 O ASN A 60 26.326 -16.097 6.618 1.00 25.00 O ATOM 916 CB ASN A 60 28.286 -13.725 6.449 1.00 25.00 C ATOM 917 CG ASN A 60 29.204 -14.829 5.977 1.00 25.00 C ATOM 918 OD1 ASN A 60 28.975 -15.455 4.961 1.00 25.00 O ATOM 919 ND2 ASN A 60 30.272 -15.037 6.691 1.00 25.00 N ATOM 0 H ASN A 60 26.765 -11.814 6.344 1.00 25.00 H new ATOM 0 HA ASN A 60 26.881 -14.222 4.865 1.00 25.00 H new ATOM 0 HB2 ASN A 60 28.699 -12.762 6.149 1.00 25.00 H new ATOM 0 HB3 ASN A 60 28.248 -13.730 7.538 1.00 25.00 H new ATOM 0 HD21 ASN A 60 30.948 -15.744 6.403 1.00 25.00 H new ATOM 0 HD22 ASN A 60 30.433 -14.493 7.539 1.00 25.00 H new ATOM 926 N ARG A 61 25.139 -14.440 7.539 1.00 25.00 N ATOM 927 CA ARG A 61 24.288 -15.328 8.338 1.00 25.00 C ATOM 928 C ARG A 61 22.822 -15.198 7.923 1.00 25.00 C ATOM 929 O ARG A 61 21.929 -15.715 8.607 1.00 25.00 O ATOM 930 CB ARG A 61 24.414 -14.977 9.824 1.00 25.00 C ATOM 931 CG ARG A 61 25.805 -15.185 10.393 1.00 25.00 C ATOM 932 CD ARG A 61 25.834 -14.867 11.882 1.00 25.00 C ATOM 933 NE ARG A 61 27.155 -15.157 12.455 1.00 25.00 N ATOM 934 CZ ARG A 61 27.486 -15.031 13.732 1.00 25.00 C ATOM 935 NH1 ARG A 61 26.647 -14.613 14.648 1.00 25.00 N ATOM 936 NH2 ARG A 61 28.697 -15.340 14.092 1.00 25.00 N ATOM 0 H ARG A 61 24.940 -13.448 7.666 1.00 25.00 H new ATOM 0 HA ARG A 61 24.618 -16.353 8.167 1.00 25.00 H new ATOM 0 HB2 ARG A 61 24.127 -13.935 9.966 1.00 25.00 H new ATOM 0 HB3 ARG A 61 23.707 -15.583 10.391 1.00 25.00 H new ATOM 0 HG2 ARG A 61 26.119 -16.216 10.231 1.00 25.00 H new ATOM 0 HG3 ARG A 61 26.517 -14.549 9.867 1.00 25.00 H new ATOM 0 HD2 ARG A 61 25.588 -13.817 12.038 1.00 25.00 H new ATOM 0 HD3 ARG A 61 25.073 -15.453 12.398 1.00 25.00 H new ATOM 0 HE ARG A 61 27.879 -15.483 11.815 1.00 25.00 H new ATOM 0 HH11 ARG A 61 25.691 -14.368 14.390 1.00 25.00 H new ATOM 0 HH12 ARG A 61 26.950 -14.533 15.619 1.00 25.00 H new ATOM 0 HH21 ARG A 61 29.367 -15.670 13.397 1.00 25.00 H new ATOM 0 HH22 ARG A 61 28.977 -15.252 15.069 1.00 25.00 H new ATOM 950 N LEU A 62 22.574 -14.494 6.828 1.00 25.00 N ATOM 951 CA LEU A 62 21.209 -14.204 6.395 1.00 25.00 C ATOM 952 C LEU A 62 20.945 -14.639 4.960 1.00 25.00 C ATOM 953 O LEU A 62 21.801 -14.543 4.089 1.00 25.00 O ATOM 954 CB LEU A 62 20.946 -12.700 6.517 1.00 25.00 C ATOM 955 CG LEU A 62 19.495 -12.302 6.813 1.00 25.00 C ATOM 956 CD1 LEU A 62 19.034 -12.720 8.171 1.00 25.00 C ATOM 957 CD2 LEU A 62 19.332 -10.805 6.654 1.00 25.00 C ATOM 0 H LEU A 62 23.299 -14.111 6.221 1.00 25.00 H new ATOM 0 HA LEU A 62 20.538 -14.771 7.040 1.00 25.00 H new ATOM 0 HB2 LEU A 62 21.582 -12.301 7.308 1.00 25.00 H new ATOM 0 HB3 LEU A 62 21.253 -12.219 5.588 1.00 25.00 H new ATOM 0 HG LEU A 62 18.871 -12.831 6.093 1.00 25.00 H new ATOM 0 HD11 LEU A 62 18.000 -12.408 8.316 1.00 25.00 H new ATOM 0 HD12 LEU A 62 19.102 -13.804 8.261 1.00 25.00 H new ATOM 0 HD13 LEU A 62 19.664 -12.253 8.929 1.00 25.00 H new ATOM 0 HD21 LEU A 62 18.299 -10.527 6.865 1.00 25.00 H new ATOM 0 HD22 LEU A 62 19.996 -10.291 7.349 1.00 25.00 H new ATOM 0 HD23 LEU A 62 19.583 -10.518 5.633 1.00 25.00 H new ATOM 969 N LYS A 63 19.729 -15.096 4.710 1.00 25.00 N ATOM 970 CA LYS A 63 19.320 -15.497 3.368 1.00 25.00 C ATOM 971 C LYS A 63 18.136 -14.704 2.915 1.00 25.00 C ATOM 972 O LYS A 63 17.070 -14.778 3.511 1.00 25.00 O ATOM 973 CB LYS A 63 18.951 -16.980 3.318 1.00 25.00 C ATOM 974 CG LYS A 63 18.467 -17.434 1.944 1.00 25.00 C ATOM 975 CD LYS A 63 18.032 -18.878 1.940 1.00 25.00 C ATOM 976 CE LYS A 63 19.193 -19.838 1.959 1.00 25.00 C ATOM 977 NZ LYS A 63 18.676 -21.234 1.735 1.00 25.00 N ATOM 0 H LYS A 63 19.004 -15.200 5.419 1.00 25.00 H new ATOM 0 HA LYS A 63 20.169 -15.311 2.710 1.00 25.00 H new ATOM 0 HB2 LYS A 63 19.819 -17.573 3.604 1.00 25.00 H new ATOM 0 HB3 LYS A 63 18.172 -17.179 4.054 1.00 25.00 H new ATOM 0 HG2 LYS A 63 17.635 -16.805 1.628 1.00 25.00 H new ATOM 0 HG3 LYS A 63 19.266 -17.295 1.215 1.00 25.00 H new ATOM 0 HD2 LYS A 63 17.398 -19.064 2.807 1.00 25.00 H new ATOM 0 HD3 LYS A 63 17.425 -19.067 1.055 1.00 25.00 H new ATOM 0 HE2 LYS A 63 19.913 -19.574 1.184 1.00 25.00 H new ATOM 0 HE3 LYS A 63 19.716 -19.778 2.914 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 19.471 -21.905 1.746 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 18.004 -21.481 2.490 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 18.195 -21.283 0.814 1.00 25.00 H new ATOM 991 N ILE A 64 18.311 -13.997 1.818 1.00 25.00 N ATOM 992 CA ILE A 64 17.224 -13.262 1.206 1.00 25.00 C ATOM 993 C ILE A 64 16.208 -14.250 0.666 1.00 25.00 C ATOM 994 O ILE A 64 16.533 -15.117 -0.155 1.00 25.00 O ATOM 995 CB ILE A 64 17.739 -12.391 0.038 1.00 25.00 C ATOM 996 CG1 ILE A 64 18.821 -11.416 0.535 1.00 25.00 C ATOM 997 CG2 ILE A 64 16.596 -11.639 -0.619 1.00 25.00 C ATOM 998 CD1 ILE A 64 18.370 -10.415 1.630 1.00 25.00 C ATOM 0 H ILE A 64 19.202 -13.916 1.329 1.00 25.00 H new ATOM 0 HA ILE A 64 16.773 -12.613 1.957 1.00 25.00 H new ATOM 0 HB ILE A 64 18.183 -13.047 -0.711 1.00 25.00 H new ATOM 0 HG12 ILE A 64 19.658 -11.997 0.922 1.00 25.00 H new ATOM 0 HG13 ILE A 64 19.194 -10.850 -0.318 1.00 25.00 H new ATOM 0 HG21 ILE A 64 16.983 -11.033 -1.438 1.00 25.00 H new ATOM 0 HG22 ILE A 64 15.867 -12.351 -1.007 1.00 25.00 H new ATOM 0 HG23 ILE A 64 16.116 -10.993 0.116 1.00 25.00 H new ATOM 0 HD11 ILE A 64 19.209 -9.776 1.907 1.00 25.00 H new ATOM 0 HD12 ILE A 64 17.556 -9.799 1.247 1.00 25.00 H new ATOM 0 HD13 ILE A 64 18.028 -10.965 2.507 1.00 25.00 H new ATOM 1010 N LEU A 65 14.976 -14.115 1.115 1.00 25.00 N ATOM 1011 CA LEU A 65 13.894 -14.961 0.646 1.00 25.00 C ATOM 1012 C LEU A 65 13.262 -14.214 -0.514 1.00 25.00 C ATOM 1013 O LEU A 65 12.395 -13.366 -0.335 1.00 25.00 O ATOM 1014 CB LEU A 65 12.882 -15.229 1.760 1.00 25.00 C ATOM 1015 CG LEU A 65 13.462 -15.829 3.051 1.00 25.00 C ATOM 1016 CD1 LEU A 65 12.328 -15.993 4.047 1.00 25.00 C ATOM 1017 CD2 LEU A 65 14.165 -17.172 2.822 1.00 25.00 C ATOM 0 H LEU A 65 14.697 -13.422 1.810 1.00 25.00 H new ATOM 0 HA LEU A 65 14.256 -15.940 0.333 1.00 25.00 H new ATOM 0 HB2 LEU A 65 12.384 -14.292 2.008 1.00 25.00 H new ATOM 0 HB3 LEU A 65 12.117 -15.905 1.377 1.00 25.00 H new ATOM 0 HG LEU A 65 14.224 -15.149 3.432 1.00 25.00 H new ATOM 0 HD11 LEU A 65 12.716 -16.418 4.973 1.00 25.00 H new ATOM 0 HD12 LEU A 65 11.881 -15.020 4.253 1.00 25.00 H new ATOM 0 HD13 LEU A 65 11.572 -16.659 3.631 1.00 25.00 H new ATOM 0 HD21 LEU A 65 14.554 -17.546 3.769 1.00 25.00 H new ATOM 0 HD22 LEU A 65 13.454 -17.890 2.413 1.00 25.00 H new ATOM 0 HD23 LEU A 65 14.988 -17.037 2.120 1.00 25.00 H new ATOM 1327 N PRO A 89 29.175 -18.792 10.775 1.00 25.00 N ATOM 1328 CA PRO A 89 30.297 -18.097 10.136 1.00 25.00 C ATOM 1329 C PRO A 89 30.514 -16.697 10.725 1.00 25.00 C ATOM 1330 O PRO A 89 29.642 -16.167 11.429 1.00 25.00 O ATOM 1331 CB PRO A 89 29.859 -18.035 8.672 1.00 25.00 C ATOM 1332 CG PRO A 89 28.398 -17.931 8.745 1.00 25.00 C ATOM 1333 CD PRO A 89 28.005 -18.842 9.876 1.00 25.00 C ATOM 0 HA PRO A 89 31.253 -18.600 10.281 1.00 25.00 H new ATOM 0 HB2 PRO A 89 30.296 -17.177 8.160 1.00 25.00 H new ATOM 0 HB3 PRO A 89 30.169 -18.925 8.124 1.00 25.00 H new ATOM 0 HG2 PRO A 89 28.083 -16.905 8.936 1.00 25.00 H new ATOM 0 HG3 PRO A 89 27.932 -18.239 7.809 1.00 25.00 H new ATOM 0 HD2 PRO A 89 27.100 -18.496 10.375 1.00 25.00 H new ATOM 0 HD3 PRO A 89 27.809 -19.856 9.527 1.00 25.00 H new ATOM 1341 N PRO A 90 31.680 -16.078 10.465 1.00 25.00 N ATOM 1342 CA PRO A 90 31.914 -14.757 11.064 1.00 25.00 C ATOM 1343 C PRO A 90 31.088 -13.637 10.433 1.00 25.00 C ATOM 1344 O PRO A 90 30.611 -13.754 9.300 1.00 25.00 O ATOM 1345 CB PRO A 90 33.408 -14.539 10.819 1.00 25.00 C ATOM 1346 CG PRO A 90 33.680 -15.264 9.557 1.00 25.00 C ATOM 1347 CD PRO A 90 32.833 -16.515 9.654 1.00 25.00 C ATOM 0 HA PRO A 90 31.618 -14.732 12.113 1.00 25.00 H new ATOM 0 HB2 PRO A 90 33.646 -13.479 10.728 1.00 25.00 H new ATOM 0 HB3 PRO A 90 34.007 -14.931 11.641 1.00 25.00 H new ATOM 0 HG2 PRO A 90 33.407 -14.665 8.688 1.00 25.00 H new ATOM 0 HG3 PRO A 90 34.738 -15.507 9.458 1.00 25.00 H new ATOM 0 HD2 PRO A 90 32.523 -16.869 8.671 1.00 25.00 H new ATOM 0 HD3 PRO A 90 33.374 -17.332 10.131 1.00 25.00 H new ATOM 1355 N LYS A 91 30.944 -12.544 11.165 1.00 25.00 N ATOM 1356 CA LYS A 91 30.274 -11.347 10.656 1.00 25.00 C ATOM 1357 C LYS A 91 31.342 -10.495 9.958 1.00 25.00 C ATOM 1358 O LYS A 91 32.521 -10.586 10.308 1.00 25.00 O ATOM 1359 CB LYS A 91 29.603 -10.567 11.809 1.00 25.00 C ATOM 1360 CG LYS A 91 30.519 -10.256 13.010 1.00 25.00 C ATOM 1361 CD LYS A 91 29.814 -9.390 14.080 1.00 25.00 C ATOM 1362 CE LYS A 91 28.630 -10.107 14.756 1.00 25.00 C ATOM 1363 NZ LYS A 91 28.043 -9.274 15.867 1.00 25.00 N ATOM 0 H LYS A 91 31.284 -12.456 12.123 1.00 25.00 H new ATOM 0 HA LYS A 91 29.483 -11.613 9.954 1.00 25.00 H new ATOM 0 HB2 LYS A 91 29.216 -9.627 11.414 1.00 25.00 H new ATOM 0 HB3 LYS A 91 28.747 -11.140 12.164 1.00 25.00 H new ATOM 0 HG2 LYS A 91 30.850 -11.191 13.463 1.00 25.00 H new ATOM 0 HG3 LYS A 91 31.412 -9.739 12.658 1.00 25.00 H new ATOM 0 HD2 LYS A 91 30.539 -9.103 14.841 1.00 25.00 H new ATOM 0 HD3 LYS A 91 29.457 -8.470 13.617 1.00 25.00 H new ATOM 0 HE2 LYS A 91 27.861 -10.320 14.014 1.00 25.00 H new ATOM 0 HE3 LYS A 91 28.963 -11.065 15.155 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 27.134 -9.683 16.165 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 28.698 -9.261 16.675 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 27.891 -8.302 15.529 1.00 25.00 H new ATOM 1377 N PRO A 92 30.955 -9.689 8.952 1.00 25.00 N ATOM 1378 CA PRO A 92 31.960 -8.829 8.313 1.00 25.00 C ATOM 1379 C PRO A 92 32.447 -7.737 9.277 1.00 25.00 C ATOM 1380 O PRO A 92 31.811 -7.489 10.304 1.00 25.00 O ATOM 1381 CB PRO A 92 31.199 -8.249 7.110 1.00 25.00 C ATOM 1382 CG PRO A 92 29.792 -8.279 7.501 1.00 25.00 C ATOM 1383 CD PRO A 92 29.618 -9.484 8.364 1.00 25.00 C ATOM 0 HA PRO A 92 32.867 -9.358 8.019 1.00 25.00 H new ATOM 0 HB2 PRO A 92 31.526 -7.233 6.889 1.00 25.00 H new ATOM 0 HB3 PRO A 92 31.371 -8.841 6.211 1.00 25.00 H new ATOM 0 HG2 PRO A 92 29.520 -7.372 8.041 1.00 25.00 H new ATOM 0 HG3 PRO A 92 29.147 -8.333 6.624 1.00 25.00 H new ATOM 0 HD2 PRO A 92 28.863 -9.320 9.133 1.00 25.00 H new ATOM 0 HD3 PRO A 92 29.299 -10.350 7.783 1.00 25.00 H new