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= -0.633 K(o=-0.63,f=0) 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= 1.37 K(o=1.4,f=-2.9!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0212 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 176:sc= -0.99 (180deg=-1.07) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 40 GLN : amide:sc= 0.239 X(o=0.24,f=0) USER MOD Single : A 48 CYS SG : rot 60:sc= 0.109 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.0318 X(o=-0.032,f=-0.032) USER MOD Single : A 60 ASN : amide:sc= 0.66 K(o=0.66,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 155:sc= 2.24 (180deg=1.47) USER MOD ----------------------------------------------------------------- ATOM 59 N TYR A 5 13.064 1.821 0.157 1.00 25.00 N ATOM 60 CA TYR A 5 13.813 0.612 0.484 1.00 25.00 C ATOM 61 C TYR A 5 13.391 -0.616 -0.351 1.00 25.00 C ATOM 62 O TYR A 5 12.562 -0.522 -1.247 1.00 25.00 O ATOM 63 CB TYR A 5 13.703 0.342 1.988 1.00 25.00 C ATOM 64 CG TYR A 5 14.549 1.270 2.835 1.00 25.00 C ATOM 65 CD1 TYR A 5 13.978 2.010 3.891 1.00 25.00 C ATOM 66 CD2 TYR A 5 15.936 1.397 2.602 1.00 25.00 C ATOM 67 CE1 TYR A 5 14.786 2.855 4.706 1.00 25.00 C ATOM 68 CE2 TYR A 5 16.737 2.238 3.410 1.00 25.00 C ATOM 69 CZ TYR A 5 16.159 2.953 4.455 1.00 25.00 C ATOM 70 OH TYR A 5 16.945 3.755 5.241 1.00 25.00 O ATOM 0 HA TYR A 5 14.856 0.786 0.221 1.00 25.00 H new ATOM 0 HB2 TYR A 5 12.660 0.438 2.290 1.00 25.00 H new ATOM 0 HB3 TYR A 5 13.999 -0.688 2.186 1.00 25.00 H new ATOM 0 HD1 TYR A 5 12.918 1.936 4.084 1.00 25.00 H new ATOM 0 HD2 TYR A 5 16.392 0.844 1.795 1.00 25.00 H new ATOM 0 HE1 TYR A 5 14.341 3.417 5.514 1.00 25.00 H new ATOM 0 HE2 TYR A 5 17.796 2.325 3.216 1.00 25.00 H new ATOM 0 HH TYR A 5 17.874 3.707 4.931 1.00 25.00 H new ATOM 80 N LEU A 6 14.036 -1.748 -0.106 1.00 25.00 N ATOM 81 CA LEU A 6 13.782 -2.975 -0.862 1.00 25.00 C ATOM 82 C LEU A 6 12.522 -3.695 -0.362 1.00 25.00 C ATOM 83 O LEU A 6 11.777 -4.267 -1.151 1.00 25.00 O ATOM 84 CB LEU A 6 14.984 -3.925 -0.734 1.00 25.00 C ATOM 85 CG LEU A 6 16.363 -3.446 -1.217 1.00 25.00 C ATOM 86 CD1 LEU A 6 17.423 -4.504 -0.856 1.00 25.00 C ATOM 87 CD2 LEU A 6 16.378 -3.196 -2.723 1.00 25.00 C ATOM 0 H LEU A 6 14.748 -1.846 0.618 1.00 25.00 H new ATOM 0 HA LEU A 6 13.631 -2.695 -1.904 1.00 25.00 H new ATOM 0 HB2 LEU A 6 15.079 -4.197 0.317 1.00 25.00 H new ATOM 0 HB3 LEU A 6 14.742 -4.838 -1.279 1.00 25.00 H new ATOM 0 HG LEU A 6 16.588 -2.502 -0.721 1.00 25.00 H new ATOM 0 HD11 LEU A 6 18.403 -4.169 -1.197 1.00 25.00 H new ATOM 0 HD12 LEU A 6 17.443 -4.645 0.225 1.00 25.00 H new ATOM 0 HD13 LEU A 6 17.174 -5.448 -1.340 1.00 25.00 H new ATOM 0 HD21 LEU A 6 17.369 -2.859 -3.026 1.00 25.00 H new ATOM 0 HD22 LEU A 6 16.133 -4.119 -3.248 1.00 25.00 H new ATOM 0 HD23 LEU A 6 15.643 -2.431 -2.972 1.00 25.00 H new ATOM 99 N ASN A 7 12.317 -3.667 0.952 1.00 25.00 N ATOM 100 CA ASN A 7 11.169 -4.311 1.629 1.00 25.00 C ATOM 101 C ASN A 7 11.024 -5.812 1.303 1.00 25.00 C ATOM 102 O ASN A 7 9.941 -6.275 0.955 1.00 25.00 O ATOM 103 CB ASN A 7 9.833 -3.603 1.296 1.00 25.00 C ATOM 104 CG ASN A 7 9.832 -2.127 1.631 1.00 25.00 C ATOM 105 OD1 ASN A 7 9.178 -1.345 0.966 1.00 25.00 O ATOM 106 ND2 ASN A 7 10.516 -1.746 2.681 1.00 25.00 N ATOM 0 H ASN A 7 12.948 -3.191 1.597 1.00 25.00 H new ATOM 0 HA ASN A 7 11.387 -4.214 2.693 1.00 25.00 H new ATOM 0 HB2 ASN A 7 9.620 -3.727 0.234 1.00 25.00 H new ATOM 0 HB3 ASN A 7 9.026 -4.092 1.842 1.00 25.00 H new ATOM 0 HD21 ASN A 7 10.511 -0.766 2.965 1.00 25.00 H new ATOM 0 HD22 ASN A 7 11.053 -2.429 3.215 1.00 25.00 H new ATOM 113 N VAL A 8 12.103 -6.575 1.432 1.00 25.00 N ATOM 114 CA VAL A 8 12.070 -8.015 1.141 1.00 25.00 C ATOM 115 C VAL A 8 12.204 -8.766 2.459 1.00 25.00 C ATOM 116 O VAL A 8 12.671 -8.208 3.436 1.00 25.00 O ATOM 117 CB VAL A 8 13.201 -8.436 0.120 1.00 25.00 C ATOM 118 CG1 VAL A 8 13.722 -7.226 -0.634 1.00 25.00 C ATOM 119 CG2 VAL A 8 14.379 -9.129 0.802 1.00 25.00 C ATOM 0 H VAL A 8 13.013 -6.227 1.735 1.00 25.00 H new ATOM 0 HA VAL A 8 11.124 -8.268 0.663 1.00 25.00 H new ATOM 0 HB VAL A 8 12.739 -9.142 -0.570 1.00 25.00 H new ATOM 0 HG11 VAL A 8 14.499 -7.539 -1.331 1.00 25.00 H new ATOM 0 HG12 VAL A 8 12.905 -6.762 -1.186 1.00 25.00 H new ATOM 0 HG13 VAL A 8 14.136 -6.507 0.073 1.00 25.00 H new ATOM 0 HG21 VAL A 8 15.126 -9.396 0.055 1.00 25.00 H new ATOM 0 HG22 VAL A 8 14.823 -8.455 1.534 1.00 25.00 H new ATOM 0 HG23 VAL A 8 14.029 -10.031 1.304 1.00 25.00 H new ATOM 129 N LEU A 9 11.812 -10.027 2.494 1.00 25.00 N ATOM 130 CA LEU A 9 11.955 -10.831 3.710 1.00 25.00 C ATOM 131 C LEU A 9 13.199 -11.707 3.613 1.00 25.00 C ATOM 132 O LEU A 9 13.501 -12.253 2.549 1.00 25.00 O ATOM 133 CB LEU A 9 10.715 -11.706 3.918 1.00 25.00 C ATOM 134 CG LEU A 9 9.382 -10.953 4.091 1.00 25.00 C ATOM 135 CD1 LEU A 9 8.250 -11.968 4.243 1.00 25.00 C ATOM 136 CD2 LEU A 9 9.403 -10.018 5.301 1.00 25.00 C ATOM 0 H LEU A 9 11.394 -10.520 1.705 1.00 25.00 H new ATOM 0 HA LEU A 9 12.058 -10.160 4.563 1.00 25.00 H new ATOM 0 HB2 LEU A 9 10.622 -12.379 3.066 1.00 25.00 H new ATOM 0 HB3 LEU A 9 10.876 -12.327 4.799 1.00 25.00 H new ATOM 0 HG LEU A 9 9.225 -10.337 3.206 1.00 25.00 H new ATOM 0 HD11 LEU A 9 7.303 -11.442 4.366 1.00 25.00 H new ATOM 0 HD12 LEU A 9 8.203 -12.596 3.354 1.00 25.00 H new ATOM 0 HD13 LEU A 9 8.435 -12.591 5.118 1.00 25.00 H new ATOM 0 HD21 LEU A 9 8.443 -9.508 5.384 1.00 25.00 H new ATOM 0 HD22 LEU A 9 9.585 -10.598 6.206 1.00 25.00 H new ATOM 0 HD23 LEU A 9 10.196 -9.280 5.177 1.00 25.00 H new ATOM 148 N ALA A 10 13.913 -11.854 4.719 1.00 25.00 N ATOM 149 CA ALA A 10 15.105 -12.698 4.765 1.00 25.00 C ATOM 150 C ALA A 10 15.085 -13.563 6.027 1.00 25.00 C ATOM 151 O ALA A 10 14.657 -13.103 7.080 1.00 25.00 O ATOM 152 CB ALA A 10 16.351 -11.827 4.734 1.00 25.00 C ATOM 0 H ALA A 10 13.688 -11.398 5.603 1.00 25.00 H new ATOM 0 HA ALA A 10 15.116 -13.356 3.896 1.00 25.00 H new ATOM 0 HB1 ALA A 10 17.238 -12.460 4.768 1.00 25.00 H new ATOM 0 HB2 ALA A 10 16.361 -11.238 3.817 1.00 25.00 H new ATOM 0 HB3 ALA A 10 16.349 -11.158 5.595 1.00 25.00 H new ATOM 158 N LYS A 11 15.556 -14.804 5.917 1.00 25.00 N ATOM 159 CA LYS A 11 15.611 -15.728 7.056 1.00 25.00 C ATOM 160 C LYS A 11 17.020 -15.842 7.608 1.00 25.00 C ATOM 161 O LYS A 11 17.979 -15.996 6.850 1.00 25.00 O ATOM 162 CB LYS A 11 15.146 -17.129 6.644 1.00 25.00 C ATOM 163 CG LYS A 11 15.326 -18.185 7.748 1.00 25.00 C ATOM 164 CD LYS A 11 14.421 -19.395 7.585 1.00 25.00 C ATOM 165 CE LYS A 11 12.997 -19.063 8.018 1.00 25.00 C ATOM 166 NZ LYS A 11 12.279 -20.211 8.668 1.00 25.00 N ATOM 0 H LYS A 11 15.908 -15.198 5.045 1.00 25.00 H new ATOM 0 HA LYS A 11 14.950 -15.323 7.822 1.00 25.00 H new ATOM 0 HB2 LYS A 11 14.094 -17.086 6.362 1.00 25.00 H new ATOM 0 HB3 LYS A 11 15.701 -17.442 5.759 1.00 25.00 H new ATOM 0 HG2 LYS A 11 16.364 -18.517 7.756 1.00 25.00 H new ATOM 0 HG3 LYS A 11 15.131 -17.724 8.716 1.00 25.00 H new ATOM 0 HD2 LYS A 11 14.424 -19.720 6.545 1.00 25.00 H new ATOM 0 HD3 LYS A 11 14.804 -20.225 8.180 1.00 25.00 H new ATOM 0 HE2 LYS A 11 13.025 -18.223 8.713 1.00 25.00 H new ATOM 0 HE3 LYS A 11 12.429 -18.737 7.147 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 11.319 -19.913 8.936 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 12.221 -21.007 8.001 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 12.799 -20.509 9.518 1.00 25.00 H new ATOM 180 N ALA A 12 17.127 -15.837 8.925 1.00 25.00 N ATOM 181 CA ALA A 12 18.392 -16.050 9.610 1.00 25.00 C ATOM 182 C ALA A 12 18.792 -17.529 9.520 1.00 25.00 C ATOM 183 O ALA A 12 18.009 -18.401 9.890 1.00 25.00 O ATOM 184 CB ALA A 12 18.231 -15.626 11.063 1.00 25.00 C ATOM 0 H ALA A 12 16.337 -15.685 9.552 1.00 25.00 H new ATOM 0 HA ALA A 12 19.179 -15.458 9.143 1.00 25.00 H new ATOM 0 HB1 ALA A 12 19.171 -15.779 11.593 1.00 25.00 H new ATOM 0 HB2 ALA A 12 17.957 -14.572 11.106 1.00 25.00 H new ATOM 0 HB3 ALA A 12 17.449 -16.223 11.532 1.00 25.00 H new ATOM 190 N LEU A 13 19.999 -17.822 9.052 1.00 25.00 N ATOM 191 CA LEU A 13 20.487 -19.207 9.007 1.00 25.00 C ATOM 192 C LEU A 13 21.157 -19.560 10.315 1.00 25.00 C ATOM 193 O LEU A 13 21.355 -20.721 10.625 1.00 25.00 O ATOM 194 CB LEU A 13 21.533 -19.396 7.909 1.00 25.00 C ATOM 195 CG LEU A 13 21.160 -19.262 6.436 1.00 25.00 C ATOM 196 CD1 LEU A 13 19.701 -19.637 6.146 1.00 25.00 C ATOM 197 CD2 LEU A 13 21.457 -17.872 5.950 1.00 25.00 C ATOM 0 H LEU A 13 20.659 -17.129 8.699 1.00 25.00 H new ATOM 0 HA LEU A 13 19.623 -19.843 8.814 1.00 25.00 H new ATOM 0 HB2 LEU A 13 22.332 -18.680 8.102 1.00 25.00 H new ATOM 0 HB3 LEU A 13 21.958 -20.391 8.041 1.00 25.00 H new ATOM 0 HG LEU A 13 21.774 -19.978 5.889 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.500 -19.520 5.081 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.527 -20.673 6.437 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.038 -18.985 6.714 1.00 25.00 H new ATOM 0 HD21 LEU A 13 21.186 -17.789 4.897 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.880 -17.152 6.531 1.00 25.00 H new ATOM 0 HD23 LEU A 13 22.520 -17.665 6.069 1.00 25.00 H new ATOM 209 N TYR A 14 21.524 -18.532 11.057 1.00 25.00 N ATOM 210 CA TYR A 14 22.231 -18.673 12.320 1.00 25.00 C ATOM 211 C TYR A 14 21.657 -17.594 13.204 1.00 25.00 C ATOM 212 O TYR A 14 20.998 -16.693 12.704 1.00 25.00 O ATOM 213 CB TYR A 14 23.729 -18.440 12.127 1.00 25.00 C ATOM 214 CG TYR A 14 24.338 -19.338 11.076 1.00 25.00 C ATOM 215 CD1 TYR A 14 24.804 -20.627 11.404 1.00 25.00 C ATOM 216 CD2 TYR A 14 24.439 -18.911 9.737 1.00 25.00 C ATOM 217 CE1 TYR A 14 25.358 -21.473 10.413 1.00 25.00 C ATOM 218 CE2 TYR A 14 24.980 -19.761 8.739 1.00 25.00 C ATOM 219 CZ TYR A 14 25.435 -21.034 9.089 1.00 25.00 C ATOM 220 OH TYR A 14 25.960 -21.856 8.127 1.00 25.00 O ATOM 0 H TYR A 14 21.338 -17.563 10.798 1.00 25.00 H new ATOM 0 HA TYR A 14 22.114 -19.671 12.743 1.00 25.00 H new ATOM 0 HB2 TYR A 14 23.896 -17.400 11.848 1.00 25.00 H new ATOM 0 HB3 TYR A 14 24.241 -18.602 13.076 1.00 25.00 H new ATOM 0 HD1 TYR A 14 24.738 -20.974 12.425 1.00 25.00 H new ATOM 0 HD2 TYR A 14 24.099 -17.922 9.467 1.00 25.00 H new ATOM 0 HE1 TYR A 14 25.720 -22.455 10.680 1.00 25.00 H new ATOM 0 HE2 TYR A 14 25.040 -19.426 7.714 1.00 25.00 H new ATOM 0 HH TYR A 14 25.940 -21.400 7.260 1.00 25.00 H new ATOM 230 N ASP A 15 21.906 -17.657 14.496 1.00 25.00 N ATOM 231 CA ASP A 15 21.486 -16.589 15.391 1.00 25.00 C ATOM 232 C ASP A 15 22.470 -15.434 15.249 1.00 25.00 C ATOM 233 O ASP A 15 23.504 -15.560 14.583 1.00 25.00 O ATOM 234 CB ASP A 15 21.480 -17.085 16.836 1.00 25.00 C ATOM 235 CG ASP A 15 22.852 -17.521 17.295 1.00 25.00 C ATOM 236 OD1 ASP A 15 23.515 -16.766 18.026 1.00 25.00 O ATOM 237 OD2 ASP A 15 23.265 -18.635 16.904 1.00 25.00 O ATOM 0 H ASP A 15 22.393 -18.429 14.951 1.00 25.00 H new ATOM 0 HA ASP A 15 20.478 -16.263 15.134 1.00 25.00 H new ATOM 0 HB2 ASP A 15 21.115 -16.292 17.489 1.00 25.00 H new ATOM 0 HB3 ASP A 15 20.785 -17.920 16.929 1.00 25.00 H new ATOM 242 N ASN A 16 22.161 -14.315 15.878 1.00 25.00 N ATOM 243 CA ASN A 16 23.065 -13.183 15.903 1.00 25.00 C ATOM 244 C ASN A 16 22.905 -12.454 17.214 1.00 25.00 C ATOM 245 O ASN A 16 21.785 -12.219 17.668 1.00 25.00 O ATOM 246 CB ASN A 16 22.785 -12.218 14.758 1.00 25.00 C ATOM 247 CG ASN A 16 23.932 -11.273 14.528 1.00 25.00 C ATOM 248 OD1 ASN A 16 25.051 -11.710 14.293 1.00 25.00 O ATOM 249 ND2 ASN A 16 23.685 -10.003 14.638 1.00 25.00 N ATOM 0 H ASN A 16 21.286 -14.167 16.380 1.00 25.00 H new ATOM 0 HA ASN A 16 24.083 -13.557 15.791 1.00 25.00 H new ATOM 0 HB2 ASN A 16 22.592 -12.783 13.846 1.00 25.00 H new ATOM 0 HB3 ASN A 16 21.883 -11.647 14.977 1.00 25.00 H new ATOM 0 HD21 ASN A 16 24.439 -9.325 14.528 1.00 25.00 H new ATOM 0 HD22 ASN A 16 22.737 -9.683 14.835 1.00 25.00 H new ATOM 256 N VAL A 17 24.023 -12.067 17.794 1.00 25.00 N ATOM 257 CA VAL A 17 24.036 -11.292 19.015 1.00 25.00 C ATOM 258 C VAL A 17 24.461 -9.918 18.563 1.00 25.00 C ATOM 259 O VAL A 17 25.476 -9.771 17.891 1.00 25.00 O ATOM 260 CB VAL A 17 25.039 -11.872 20.049 1.00 25.00 C ATOM 261 CG1 VAL A 17 25.093 -10.996 21.311 1.00 25.00 C ATOM 262 CG2 VAL A 17 24.632 -13.310 20.425 1.00 25.00 C ATOM 0 H VAL A 17 24.951 -12.283 17.429 1.00 25.00 H new ATOM 0 HA VAL A 17 23.069 -11.294 19.518 1.00 25.00 H new ATOM 0 HB VAL A 17 26.031 -11.884 19.597 1.00 25.00 H new ATOM 0 HG11 VAL A 17 25.802 -11.423 22.020 1.00 25.00 H new ATOM 0 HG12 VAL A 17 25.411 -9.989 21.041 1.00 25.00 H new ATOM 0 HG13 VAL A 17 24.104 -10.954 21.768 1.00 25.00 H new ATOM 0 HG21 VAL A 17 25.340 -13.711 21.151 1.00 25.00 H new ATOM 0 HG22 VAL A 17 23.632 -13.303 20.859 1.00 25.00 H new ATOM 0 HG23 VAL A 17 24.636 -13.935 19.532 1.00 25.00 H new ATOM 272 N ALA A 18 23.649 -8.930 18.879 1.00 25.00 N ATOM 273 CA ALA A 18 23.944 -7.559 18.516 1.00 25.00 C ATOM 274 C ALA A 18 24.991 -7.042 19.491 1.00 25.00 C ATOM 275 O ALA A 18 24.734 -6.924 20.687 1.00 25.00 O ATOM 276 CB ALA A 18 22.689 -6.720 18.573 1.00 25.00 C ATOM 0 H ALA A 18 22.774 -9.052 19.390 1.00 25.00 H new ATOM 0 HA ALA A 18 24.324 -7.503 17.496 1.00 25.00 H new ATOM 0 HB1 ALA A 18 22.926 -5.692 18.298 1.00 25.00 H new ATOM 0 HB2 ALA A 18 21.951 -7.121 17.878 1.00 25.00 H new ATOM 0 HB3 ALA A 18 22.283 -6.741 19.584 1.00 25.00 H new ATOM 282 N GLU A 19 26.181 -6.797 18.975 1.00 25.00 N ATOM 283 CA GLU A 19 27.311 -6.358 19.790 1.00 25.00 C ATOM 284 C GLU A 19 27.565 -4.885 19.542 1.00 25.00 C ATOM 285 O GLU A 19 28.185 -4.197 20.343 1.00 25.00 O ATOM 286 CB GLU A 19 28.544 -7.180 19.423 1.00 25.00 C ATOM 287 CG GLU A 19 28.383 -8.648 19.788 1.00 25.00 C ATOM 288 CD GLU A 19 29.585 -9.492 19.398 1.00 25.00 C ATOM 289 OE1 GLU A 19 29.869 -9.588 18.178 1.00 25.00 O ATOM 290 OE2 GLU A 19 30.194 -10.123 20.283 1.00 25.00 O ATOM 0 H GLU A 19 26.397 -6.895 17.983 1.00 25.00 H new ATOM 0 HA GLU A 19 27.089 -6.504 20.847 1.00 25.00 H new ATOM 0 HB2 GLU A 19 28.733 -7.092 18.353 1.00 25.00 H new ATOM 0 HB3 GLU A 19 29.416 -6.773 19.935 1.00 25.00 H new ATOM 0 HG2 GLU A 19 28.219 -8.734 20.862 1.00 25.00 H new ATOM 0 HG3 GLU A 19 27.494 -9.043 19.297 1.00 25.00 H new ATOM 297 N SER A 20 27.036 -4.402 18.431 1.00 25.00 N ATOM 298 CA SER A 20 27.123 -2.993 18.076 1.00 25.00 C ATOM 299 C SER A 20 25.757 -2.372 18.318 1.00 25.00 C ATOM 300 O SER A 20 24.735 -3.050 18.209 1.00 25.00 O ATOM 301 CB SER A 20 27.530 -2.858 16.612 1.00 25.00 C ATOM 302 OG SER A 20 28.780 -3.483 16.406 1.00 25.00 O ATOM 0 H SER A 20 26.535 -4.973 17.750 1.00 25.00 H new ATOM 0 HA SER A 20 27.873 -2.482 18.680 1.00 25.00 H new ATOM 0 HB2 SER A 20 26.775 -3.313 15.971 1.00 25.00 H new ATOM 0 HB3 SER A 20 27.589 -1.805 16.337 1.00 25.00 H new ATOM 0 HG SER A 20 29.038 -3.396 15.465 1.00 25.00 H new ATOM 308 N PRO A 21 25.714 -1.070 18.641 1.00 25.00 N ATOM 309 CA PRO A 21 24.423 -0.437 18.937 1.00 25.00 C ATOM 310 C PRO A 21 23.514 -0.291 17.720 1.00 25.00 C ATOM 311 O PRO A 21 22.323 -0.030 17.863 1.00 25.00 O ATOM 312 CB PRO A 21 24.838 0.927 19.493 1.00 25.00 C ATOM 313 CG PRO A 21 26.143 1.202 18.835 1.00 25.00 C ATOM 314 CD PRO A 21 26.829 -0.115 18.788 1.00 25.00 C ATOM 0 HA PRO A 21 23.824 -1.037 19.623 1.00 25.00 H new ATOM 0 HB2 PRO A 21 24.102 1.695 19.256 1.00 25.00 H new ATOM 0 HB3 PRO A 21 24.936 0.903 20.578 1.00 25.00 H new ATOM 0 HG2 PRO A 21 26.003 1.611 17.834 1.00 25.00 H new ATOM 0 HG3 PRO A 21 26.725 1.931 19.399 1.00 25.00 H new ATOM 0 HD2 PRO A 21 27.525 -0.177 17.952 1.00 25.00 H new ATOM 0 HD3 PRO A 21 27.403 -0.303 19.695 1.00 25.00 H new ATOM 322 N ASP A 22 24.060 -0.493 16.530 1.00 25.00 N ATOM 323 CA ASP A 22 23.283 -0.391 15.301 1.00 25.00 C ATOM 324 C ASP A 22 22.859 -1.757 14.810 1.00 25.00 C ATOM 325 O ASP A 22 22.215 -1.868 13.797 1.00 25.00 O ATOM 326 CB ASP A 22 24.124 0.257 14.207 1.00 25.00 C ATOM 327 CG ASP A 22 23.386 1.375 13.492 1.00 25.00 C ATOM 328 OD1 ASP A 22 22.719 2.184 14.174 1.00 25.00 O ATOM 329 OD2 ASP A 22 23.450 1.431 12.246 1.00 25.00 O ATOM 0 H ASP A 22 25.042 -0.729 16.388 1.00 25.00 H new ATOM 0 HA ASP A 22 22.401 0.210 15.519 1.00 25.00 H new ATOM 0 HB2 ASP A 22 25.041 0.653 14.644 1.00 25.00 H new ATOM 0 HB3 ASP A 22 24.418 -0.502 13.482 1.00 25.00 H new ATOM 334 N GLU A 23 23.289 -2.804 15.491 1.00 25.00 N ATOM 335 CA GLU A 23 23.067 -4.171 15.030 1.00 25.00 C ATOM 336 C GLU A 23 21.773 -4.781 15.593 1.00 25.00 C ATOM 337 O GLU A 23 21.306 -4.401 16.667 1.00 25.00 O ATOM 338 CB GLU A 23 24.283 -5.014 15.435 1.00 25.00 C ATOM 339 CG GLU A 23 24.390 -6.353 14.731 1.00 25.00 C ATOM 340 CD GLU A 23 25.643 -7.117 15.104 1.00 25.00 C ATOM 341 OE1 GLU A 23 26.318 -6.768 16.105 1.00 25.00 O ATOM 342 OE2 GLU A 23 25.932 -8.122 14.422 1.00 25.00 O ATOM 0 H GLU A 23 23.798 -2.737 16.372 1.00 25.00 H new ATOM 0 HA GLU A 23 22.949 -4.160 13.946 1.00 25.00 H new ATOM 0 HB2 GLU A 23 25.188 -4.441 15.235 1.00 25.00 H new ATOM 0 HB3 GLU A 23 24.246 -5.187 16.511 1.00 25.00 H new ATOM 0 HG2 GLU A 23 23.516 -6.957 14.975 1.00 25.00 H new ATOM 0 HG3 GLU A 23 24.376 -6.193 13.653 1.00 25.00 H new ATOM 349 N LEU A 24 21.214 -5.743 14.870 1.00 25.00 N ATOM 350 CA LEU A 24 20.039 -6.489 15.339 1.00 25.00 C ATOM 351 C LEU A 24 20.410 -7.850 15.898 1.00 25.00 C ATOM 352 O LEU A 24 21.286 -8.540 15.379 1.00 25.00 O ATOM 353 CB LEU A 24 19.041 -6.725 14.207 1.00 25.00 C ATOM 354 CG LEU A 24 18.282 -5.494 13.702 1.00 25.00 C ATOM 355 CD1 LEU A 24 17.343 -5.900 12.575 1.00 25.00 C ATOM 356 CD2 LEU A 24 17.496 -4.836 14.833 1.00 25.00 C ATOM 0 H LEU A 24 21.553 -6.031 13.952 1.00 25.00 H new ATOM 0 HA LEU A 24 19.596 -5.874 16.122 1.00 25.00 H new ATOM 0 HB2 LEU A 24 19.576 -7.166 13.366 1.00 25.00 H new ATOM 0 HB3 LEU A 24 18.312 -7.462 14.542 1.00 25.00 H new ATOM 0 HG LEU A 24 19.004 -4.769 13.327 1.00 25.00 H new ATOM 0 HD11 LEU A 24 16.804 -5.023 12.217 1.00 25.00 H new ATOM 0 HD12 LEU A 24 17.921 -6.330 11.757 1.00 25.00 H new ATOM 0 HD13 LEU A 24 16.631 -6.639 12.943 1.00 25.00 H new ATOM 0 HD21 LEU A 24 16.966 -3.965 14.449 1.00 25.00 H new ATOM 0 HD22 LEU A 24 16.777 -5.548 15.239 1.00 25.00 H new ATOM 0 HD23 LEU A 24 18.183 -4.525 15.620 1.00 25.00 H new ATOM 368 N SER A 25 19.682 -8.257 16.923 1.00 25.00 N ATOM 369 CA SER A 25 19.846 -9.560 17.531 1.00 25.00 C ATOM 370 C SER A 25 18.616 -10.382 17.199 1.00 25.00 C ATOM 371 O SER A 25 17.488 -9.908 17.300 1.00 25.00 O ATOM 372 CB SER A 25 19.992 -9.415 19.042 1.00 25.00 C ATOM 373 OG SER A 25 19.196 -8.337 19.512 1.00 25.00 O ATOM 0 H SER A 25 18.956 -7.687 17.358 1.00 25.00 H new ATOM 0 HA SER A 25 20.742 -10.050 17.151 1.00 25.00 H new ATOM 0 HB2 SER A 25 19.691 -10.340 19.534 1.00 25.00 H new ATOM 0 HB3 SER A 25 21.037 -9.243 19.299 1.00 25.00 H new ATOM 0 HG SER A 25 19.297 -8.255 20.483 1.00 25.00 H new ATOM 379 N PHE A 26 18.852 -11.609 16.781 1.00 25.00 N ATOM 380 CA PHE A 26 17.782 -12.542 16.412 1.00 25.00 C ATOM 381 C PHE A 26 18.259 -13.982 16.550 1.00 25.00 C ATOM 382 O PHE A 26 19.437 -14.234 16.788 1.00 25.00 O ATOM 383 CB PHE A 26 17.326 -12.284 14.975 1.00 25.00 C ATOM 384 CG PHE A 26 18.449 -12.217 13.989 1.00 25.00 C ATOM 385 CD1 PHE A 26 18.854 -10.975 13.473 1.00 25.00 C ATOM 386 CD2 PHE A 26 19.103 -13.387 13.552 1.00 25.00 C ATOM 387 CE1 PHE A 26 19.880 -10.898 12.521 1.00 25.00 C ATOM 388 CE2 PHE A 26 20.143 -13.317 12.600 1.00 25.00 C ATOM 389 CZ PHE A 26 20.525 -12.080 12.077 1.00 25.00 C ATOM 0 H PHE A 26 19.790 -11.998 16.684 1.00 25.00 H new ATOM 0 HA PHE A 26 16.941 -12.383 17.087 1.00 25.00 H new ATOM 0 HB2 PHE A 26 16.638 -13.074 14.675 1.00 25.00 H new ATOM 0 HB3 PHE A 26 16.770 -11.347 14.943 1.00 25.00 H new ATOM 0 HD1 PHE A 26 18.370 -10.071 13.813 1.00 25.00 H new ATOM 0 HD2 PHE A 26 18.805 -14.346 13.949 1.00 25.00 H new ATOM 0 HE1 PHE A 26 20.179 -9.938 12.126 1.00 25.00 H new ATOM 0 HE2 PHE A 26 20.642 -14.219 12.277 1.00 25.00 H new ATOM 0 HZ PHE A 26 21.309 -12.024 11.337 1.00 25.00 H new ATOM 399 N ARG A 27 17.345 -14.928 16.384 1.00 25.00 N ATOM 400 CA ARG A 27 17.656 -16.350 16.489 1.00 25.00 C ATOM 401 C ARG A 27 17.629 -16.968 15.088 1.00 25.00 C ATOM 402 O ARG A 27 16.990 -16.447 14.187 1.00 25.00 O ATOM 403 CB ARG A 27 16.609 -17.002 17.412 1.00 25.00 C ATOM 404 CG ARG A 27 16.867 -18.460 17.799 1.00 25.00 C ATOM 405 CD ARG A 27 18.046 -18.620 18.772 1.00 25.00 C ATOM 406 NE ARG A 27 18.360 -20.043 19.015 1.00 25.00 N ATOM 407 CZ ARG A 27 17.745 -20.835 19.890 1.00 25.00 C ATOM 408 NH1 ARG A 27 16.772 -20.415 20.661 1.00 25.00 N ATOM 409 NH2 ARG A 27 18.114 -22.083 19.979 1.00 25.00 N ATOM 0 H ARG A 27 16.366 -14.733 16.173 1.00 25.00 H new ATOM 0 HA ARG A 27 18.648 -16.511 16.911 1.00 25.00 H new ATOM 0 HB2 ARG A 27 16.542 -16.411 18.326 1.00 25.00 H new ATOM 0 HB3 ARG A 27 15.637 -16.944 16.923 1.00 25.00 H new ATOM 0 HG2 ARG A 27 15.968 -18.875 18.254 1.00 25.00 H new ATOM 0 HG3 ARG A 27 17.065 -19.041 16.898 1.00 25.00 H new ATOM 0 HD2 ARG A 27 18.924 -18.117 18.367 1.00 25.00 H new ATOM 0 HD3 ARG A 27 17.807 -18.133 19.717 1.00 25.00 H new ATOM 0 HE ARG A 27 19.114 -20.454 18.464 1.00 25.00 H new ATOM 0 HH11 ARG A 27 16.458 -19.446 20.604 1.00 25.00 H new ATOM 0 HH12 ARG A 27 16.329 -21.057 21.318 1.00 25.00 H new ATOM 0 HH21 ARG A 27 18.863 -22.437 19.384 1.00 25.00 H new ATOM 0 HH22 ARG A 27 17.654 -22.705 20.644 1.00 25.00 H new ATOM 423 N LYS A 28 18.296 -18.099 14.917 1.00 25.00 N ATOM 424 CA LYS A 28 18.232 -18.855 13.670 1.00 25.00 C ATOM 425 C LYS A 28 16.774 -19.162 13.344 1.00 25.00 C ATOM 426 O LYS A 28 16.027 -19.629 14.198 1.00 25.00 O ATOM 427 CB LYS A 28 19.011 -20.164 13.843 1.00 25.00 C ATOM 428 CG LYS A 28 18.874 -21.136 12.684 1.00 25.00 C ATOM 429 CD LYS A 28 19.771 -22.350 12.898 1.00 25.00 C ATOM 430 CE LYS A 28 19.651 -23.336 11.743 1.00 25.00 C ATOM 431 NZ LYS A 28 20.589 -24.478 11.935 1.00 25.00 N ATOM 0 H LYS A 28 18.893 -18.518 15.630 1.00 25.00 H new ATOM 0 HA LYS A 28 18.668 -18.275 12.857 1.00 25.00 H new ATOM 0 HB2 LYS A 28 20.066 -19.929 13.981 1.00 25.00 H new ATOM 0 HB3 LYS A 28 18.673 -20.656 14.755 1.00 25.00 H new ATOM 0 HG2 LYS A 28 17.836 -21.455 12.590 1.00 25.00 H new ATOM 0 HG3 LYS A 28 19.141 -20.639 11.751 1.00 25.00 H new ATOM 0 HD2 LYS A 28 20.807 -22.027 12.997 1.00 25.00 H new ATOM 0 HD3 LYS A 28 19.501 -22.845 13.831 1.00 25.00 H new ATOM 0 HE2 LYS A 28 18.628 -23.705 11.676 1.00 25.00 H new ATOM 0 HE3 LYS A 28 19.870 -22.832 10.802 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 20.496 -25.142 11.140 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 21.565 -24.122 11.976 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 20.362 -24.968 12.823 1.00 25.00 H new ATOM 445 N GLY A 29 16.391 -18.911 12.103 1.00 25.00 N ATOM 446 CA GLY A 29 15.043 -19.190 11.642 1.00 25.00 C ATOM 447 C GLY A 29 14.119 -17.993 11.696 1.00 25.00 C ATOM 448 O GLY A 29 12.992 -18.083 11.204 1.00 25.00 O ATOM 0 H GLY A 29 17.002 -18.511 11.391 1.00 25.00 H new ATOM 0 HA2 GLY A 29 15.088 -19.556 10.616 1.00 25.00 H new ATOM 0 HA3 GLY A 29 14.620 -19.991 12.248 1.00 25.00 H new ATOM 452 N ASP A 30 14.582 -16.886 12.259 1.00 25.00 N ATOM 453 CA ASP A 30 13.764 -15.678 12.375 1.00 25.00 C ATOM 454 C ASP A 30 13.684 -14.995 11.015 1.00 25.00 C ATOM 455 O ASP A 30 14.493 -15.288 10.124 1.00 25.00 O ATOM 456 CB ASP A 30 14.381 -14.724 13.402 1.00 25.00 C ATOM 457 CG ASP A 30 13.350 -13.886 14.113 1.00 25.00 C ATOM 458 OD1 ASP A 30 12.212 -13.758 13.609 1.00 25.00 O ATOM 459 OD2 ASP A 30 13.676 -13.384 15.206 1.00 25.00 O ATOM 0 H ASP A 30 15.522 -16.795 12.645 1.00 25.00 H new ATOM 0 HA ASP A 30 12.762 -15.949 12.707 1.00 25.00 H new ATOM 0 HB2 ASP A 30 14.942 -15.302 14.136 1.00 25.00 H new ATOM 0 HB3 ASP A 30 15.093 -14.068 12.900 1.00 25.00 H new ATOM 464 N ILE A 31 12.717 -14.103 10.853 1.00 25.00 N ATOM 465 CA ILE A 31 12.501 -13.386 9.598 1.00 25.00 C ATOM 466 C ILE A 31 12.582 -11.889 9.856 1.00 25.00 C ATOM 467 O ILE A 31 11.848 -11.360 10.682 1.00 25.00 O ATOM 468 CB ILE A 31 11.094 -13.677 8.991 1.00 25.00 C ATOM 469 CG1 ILE A 31 10.913 -15.179 8.696 1.00 25.00 C ATOM 470 CG2 ILE A 31 10.884 -12.854 7.690 1.00 25.00 C ATOM 471 CD1 ILE A 31 11.929 -15.784 7.734 1.00 25.00 C ATOM 0 H ILE A 31 12.056 -13.853 11.589 1.00 25.00 H new ATOM 0 HA ILE A 31 13.267 -13.721 8.899 1.00 25.00 H new ATOM 0 HB ILE A 31 10.347 -13.380 9.727 1.00 25.00 H new ATOM 0 HG12 ILE A 31 10.960 -15.725 9.638 1.00 25.00 H new ATOM 0 HG13 ILE A 31 9.914 -15.334 8.288 1.00 25.00 H new ATOM 0 HG21 ILE A 31 9.898 -13.069 7.279 1.00 25.00 H new ATOM 0 HG22 ILE A 31 10.959 -11.790 7.916 1.00 25.00 H new ATOM 0 HG23 ILE A 31 11.648 -13.125 6.961 1.00 25.00 H new ATOM 0 HD11 ILE A 31 11.712 -16.843 7.595 1.00 25.00 H new ATOM 0 HD12 ILE A 31 11.870 -15.272 6.773 1.00 25.00 H new ATOM 0 HD13 ILE A 31 12.932 -15.670 8.145 1.00 25.00 H new ATOM 483 N MET A 32 13.430 -11.203 9.108 1.00 25.00 N ATOM 484 CA MET A 32 13.532 -9.750 9.199 1.00 25.00 C ATOM 485 C MET A 32 13.275 -9.138 7.840 1.00 25.00 C ATOM 486 O MET A 32 13.462 -9.783 6.799 1.00 25.00 O ATOM 487 CB MET A 32 14.903 -9.326 9.725 1.00 25.00 C ATOM 488 CG MET A 32 16.077 -9.903 8.963 1.00 25.00 C ATOM 489 SD MET A 32 17.347 -10.410 10.124 1.00 25.00 S ATOM 490 CE MET A 32 16.590 -11.923 10.834 1.00 25.00 C ATOM 0 H MET A 32 14.061 -11.627 8.428 1.00 25.00 H new ATOM 0 HA MET A 32 12.781 -9.392 9.903 1.00 25.00 H new ATOM 0 HB2 MET A 32 14.968 -8.238 9.697 1.00 25.00 H new ATOM 0 HB3 MET A 32 14.984 -9.623 10.771 1.00 25.00 H new ATOM 0 HG2 MET A 32 15.754 -10.755 8.365 1.00 25.00 H new ATOM 0 HG3 MET A 32 16.476 -9.161 8.271 1.00 25.00 H new ATOM 0 HE1 MET A 32 17.293 -12.393 11.522 1.00 25.00 H new ATOM 0 HE2 MET A 32 15.679 -11.657 11.371 1.00 25.00 H new ATOM 0 HE3 MET A 32 16.348 -12.620 10.031 1.00 25.00 H new ATOM 500 N THR A 33 12.832 -7.895 7.860 1.00 25.00 N ATOM 501 CA THR A 33 12.538 -7.156 6.637 1.00 25.00 C ATOM 502 C THR A 33 13.791 -6.431 6.189 1.00 25.00 C ATOM 503 O THR A 33 14.235 -5.520 6.862 1.00 25.00 O ATOM 504 CB THR A 33 11.433 -6.110 6.879 1.00 25.00 C ATOM 505 OG1 THR A 33 10.235 -6.776 7.285 1.00 25.00 O ATOM 506 CG2 THR A 33 11.142 -5.316 5.620 1.00 25.00 C ATOM 0 H THR A 33 12.665 -7.368 8.717 1.00 25.00 H new ATOM 0 HA THR A 33 12.201 -7.862 5.878 1.00 25.00 H new ATOM 0 HB THR A 33 11.778 -5.425 7.654 1.00 25.00 H new ATOM 0 HG1 THR A 33 9.530 -6.114 7.442 1.00 25.00 H new ATOM 0 HG21 THR A 33 10.358 -4.586 5.823 1.00 25.00 H new ATOM 0 HG22 THR A 33 12.046 -4.798 5.300 1.00 25.00 H new ATOM 0 HG23 THR A 33 10.813 -5.992 4.831 1.00 25.00 H new ATOM 514 N VAL A 34 14.364 -6.832 5.067 1.00 25.00 N ATOM 515 CA VAL A 34 15.563 -6.185 4.541 1.00 25.00 C ATOM 516 C VAL A 34 15.153 -4.893 3.879 1.00 25.00 C ATOM 517 O VAL A 34 14.288 -4.863 2.994 1.00 25.00 O ATOM 518 CB VAL A 34 16.300 -7.060 3.514 1.00 25.00 C ATOM 519 CG1 VAL A 34 17.624 -6.412 3.079 1.00 25.00 C ATOM 520 CG2 VAL A 34 16.566 -8.429 4.105 1.00 25.00 C ATOM 0 H VAL A 34 14.020 -7.605 4.498 1.00 25.00 H new ATOM 0 HA VAL A 34 16.246 -6.012 5.373 1.00 25.00 H new ATOM 0 HB VAL A 34 15.666 -7.159 2.633 1.00 25.00 H new ATOM 0 HG11 VAL A 34 18.122 -7.054 2.353 1.00 25.00 H new ATOM 0 HG12 VAL A 34 17.423 -5.441 2.627 1.00 25.00 H new ATOM 0 HG13 VAL A 34 18.268 -6.281 3.949 1.00 25.00 H new ATOM 0 HG21 VAL A 34 17.088 -9.046 3.374 1.00 25.00 H new ATOM 0 HG22 VAL A 34 17.181 -8.326 4.999 1.00 25.00 H new ATOM 0 HG23 VAL A 34 15.620 -8.902 4.368 1.00 25.00 H new ATOM 530 N LEU A 35 15.764 -3.819 4.332 1.00 25.00 N ATOM 531 CA LEU A 35 15.488 -2.497 3.830 1.00 25.00 C ATOM 532 C LEU A 35 16.518 -2.151 2.777 1.00 25.00 C ATOM 533 O LEU A 35 16.162 -1.758 1.681 1.00 25.00 O ATOM 534 CB LEU A 35 15.532 -1.508 4.984 1.00 25.00 C ATOM 535 CG LEU A 35 14.488 -1.790 6.073 1.00 25.00 C ATOM 536 CD1 LEU A 35 14.758 -0.896 7.238 1.00 25.00 C ATOM 537 CD2 LEU A 35 13.062 -1.581 5.564 1.00 25.00 C ATOM 0 H LEU A 35 16.472 -3.843 5.066 1.00 25.00 H new ATOM 0 HA LEU A 35 14.497 -2.455 3.378 1.00 25.00 H new ATOM 0 HB2 LEU A 35 16.526 -1.528 5.431 1.00 25.00 H new ATOM 0 HB3 LEU A 35 15.377 -0.501 4.595 1.00 25.00 H new ATOM 0 HG LEU A 35 14.570 -2.835 6.371 1.00 25.00 H new ATOM 0 HD11 LEU A 35 14.023 -1.086 8.020 1.00 25.00 H new ATOM 0 HD12 LEU A 35 15.758 -1.093 7.624 1.00 25.00 H new ATOM 0 HD13 LEU A 35 14.690 0.145 6.921 1.00 25.00 H new ATOM 0 HD21 LEU A 35 12.355 -1.791 6.366 1.00 25.00 H new ATOM 0 HD22 LEU A 35 12.941 -0.549 5.235 1.00 25.00 H new ATOM 0 HD23 LEU A 35 12.872 -2.253 4.727 1.00 25.00 H new ATOM 549 N GLU A 36 17.785 -2.379 3.066 1.00 25.00 N ATOM 550 CA GLU A 36 18.823 -2.196 2.053 1.00 25.00 C ATOM 551 C GLU A 36 20.004 -3.094 2.363 1.00 25.00 C ATOM 552 O GLU A 36 20.029 -3.751 3.396 1.00 25.00 O ATOM 553 CB GLU A 36 19.237 -0.721 1.932 1.00 25.00 C ATOM 554 CG GLU A 36 20.166 -0.187 2.945 1.00 25.00 C ATOM 555 CD GLU A 36 20.274 1.331 2.871 1.00 25.00 C ATOM 556 OE1 GLU A 36 19.898 1.914 1.834 1.00 25.00 O ATOM 557 OE2 GLU A 36 20.684 1.944 3.879 1.00 25.00 O ATOM 0 H GLU A 36 18.123 -2.687 3.978 1.00 25.00 H new ATOM 0 HA GLU A 36 18.421 -2.483 1.081 1.00 25.00 H new ATOM 0 HB2 GLU A 36 19.691 -0.579 0.951 1.00 25.00 H new ATOM 0 HB3 GLU A 36 18.331 -0.115 1.954 1.00 25.00 H new ATOM 0 HG2 GLU A 36 19.827 -0.479 3.939 1.00 25.00 H new ATOM 0 HG3 GLU A 36 21.152 -0.629 2.802 1.00 25.00 H new ATOM 564 N ARG A 37 20.971 -3.141 1.464 1.00 25.00 N ATOM 565 CA ARG A 37 22.163 -3.955 1.654 1.00 25.00 C ATOM 566 C ARG A 37 23.328 -3.027 1.486 1.00 25.00 C ATOM 567 O ARG A 37 23.201 -2.043 0.766 1.00 25.00 O ATOM 568 CB ARG A 37 22.267 -5.035 0.588 1.00 25.00 C ATOM 569 CG ARG A 37 21.079 -5.986 0.506 1.00 25.00 C ATOM 570 CD ARG A 37 21.427 -7.141 -0.422 1.00 25.00 C ATOM 571 NE ARG A 37 22.051 -6.641 -1.661 1.00 25.00 N ATOM 572 CZ ARG A 37 22.863 -7.330 -2.452 1.00 25.00 C ATOM 573 NH1 ARG A 37 23.161 -8.587 -2.228 1.00 25.00 N ATOM 574 NH2 ARG A 37 23.394 -6.736 -3.483 1.00 25.00 N ATOM 0 H ARG A 37 20.955 -2.621 0.587 1.00 25.00 H new ATOM 0 HA ARG A 37 22.135 -4.439 2.630 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.394 -4.554 -0.382 1.00 25.00 H new ATOM 0 HB3 ARG A 37 23.168 -5.620 0.774 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.830 -6.363 1.498 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.200 -5.458 0.136 1.00 25.00 H new ATOM 0 HD2 ARG A 37 22.107 -7.828 0.082 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.526 -7.705 -0.664 1.00 25.00 H new ATOM 0 HE ARG A 37 21.840 -5.681 -1.934 1.00 25.00 H new ATOM 0 HH11 ARG A 37 22.764 -9.069 -1.422 1.00 25.00 H new ATOM 0 HH12 ARG A 37 23.790 -9.083 -2.860 1.00 25.00 H new ATOM 0 HH21 ARG A 37 23.183 -5.756 -3.672 1.00 25.00 H new ATOM 0 HH22 ARG A 37 24.021 -7.251 -4.102 1.00 25.00 H new ATOM 588 N ASP A 38 24.437 -3.359 2.131 1.00 25.00 N ATOM 589 CA ASP A 38 25.692 -2.616 2.017 1.00 25.00 C ATOM 590 C ASP A 38 25.430 -1.169 2.458 1.00 25.00 C ATOM 591 O ASP A 38 25.950 -0.188 1.923 1.00 25.00 O ATOM 592 CB ASP A 38 26.244 -2.789 0.597 1.00 25.00 C ATOM 593 CG ASP A 38 26.208 -4.262 0.151 1.00 25.00 C ATOM 594 OD1 ASP A 38 25.531 -4.570 -0.869 1.00 25.00 O ATOM 595 OD2 ASP A 38 26.698 -5.136 0.918 1.00 25.00 O ATOM 0 H ASP A 38 24.495 -4.162 2.757 1.00 25.00 H new ATOM 0 HA ASP A 38 26.475 -2.993 2.674 1.00 25.00 H new ATOM 0 HB2 ASP A 38 25.661 -2.184 -0.097 1.00 25.00 H new ATOM 0 HB3 ASP A 38 27.269 -2.421 0.557 1.00 25.00 H new ATOM 600 N THR A 39 24.549 -1.087 3.446 1.00 25.00 N ATOM 601 CA THR A 39 24.056 0.168 4.000 1.00 25.00 C ATOM 602 C THR A 39 25.176 0.945 4.663 1.00 25.00 C ATOM 603 O THR A 39 26.079 0.364 5.226 1.00 25.00 O ATOM 604 CB THR A 39 22.943 -0.120 5.038 1.00 25.00 C ATOM 605 OG1 THR A 39 22.499 1.092 5.647 1.00 25.00 O ATOM 606 CG2 THR A 39 23.388 -1.074 6.102 1.00 25.00 C ATOM 0 H THR A 39 24.148 -1.910 3.895 1.00 25.00 H new ATOM 0 HA THR A 39 23.654 0.768 3.184 1.00 25.00 H new ATOM 0 HB THR A 39 22.121 -0.584 4.493 1.00 25.00 H new ATOM 0 HG1 THR A 39 21.840 1.528 5.067 1.00 25.00 H new ATOM 0 HG21 THR A 39 22.572 -1.242 6.804 1.00 25.00 H new ATOM 0 HG22 THR A 39 23.675 -2.021 5.645 1.00 25.00 H new ATOM 0 HG23 THR A 39 24.242 -0.654 6.633 1.00 25.00 H new ATOM 614 N GLN A 40 25.113 2.269 4.569 1.00 25.00 N ATOM 615 CA GLN A 40 26.117 3.184 5.140 1.00 25.00 C ATOM 616 C GLN A 40 27.538 2.933 4.612 1.00 25.00 C ATOM 617 O GLN A 40 28.510 3.421 5.177 1.00 25.00 O ATOM 618 CB GLN A 40 26.106 3.134 6.680 1.00 25.00 C ATOM 619 CG GLN A 40 24.713 2.993 7.284 1.00 25.00 C ATOM 620 CD GLN A 40 24.681 3.287 8.765 1.00 25.00 C ATOM 621 OE1 GLN A 40 24.964 4.393 9.195 1.00 25.00 O ATOM 622 NE2 GLN A 40 24.311 2.306 9.545 1.00 25.00 N ATOM 0 H GLN A 40 24.354 2.752 4.088 1.00 25.00 H new ATOM 0 HA GLN A 40 25.828 4.183 4.812 1.00 25.00 H new ATOM 0 HB2 GLN A 40 26.721 2.297 7.011 1.00 25.00 H new ATOM 0 HB3 GLN A 40 26.569 4.042 7.066 1.00 25.00 H new ATOM 0 HG2 GLN A 40 24.030 3.669 6.770 1.00 25.00 H new ATOM 0 HG3 GLN A 40 24.349 1.980 7.112 1.00 25.00 H new ATOM 0 HE21 GLN A 40 24.083 1.396 9.146 1.00 25.00 H new ATOM 0 HE22 GLN A 40 24.251 2.451 10.553 1.00 25.00 H new ATOM 631 N GLY A 41 27.649 2.169 3.532 1.00 25.00 N ATOM 632 CA GLY A 41 28.950 1.823 2.980 1.00 25.00 C ATOM 633 C GLY A 41 29.564 0.648 3.716 1.00 25.00 C ATOM 634 O GLY A 41 30.746 0.355 3.564 1.00 25.00 O ATOM 0 H GLY A 41 26.856 1.779 3.023 1.00 25.00 H new ATOM 0 HA2 GLY A 41 28.846 1.579 1.923 1.00 25.00 H new ATOM 0 HA3 GLY A 41 29.616 2.684 3.044 1.00 25.00 H new ATOM 638 N LEU A 42 28.764 -0.026 4.532 1.00 25.00 N ATOM 639 CA LEU A 42 29.219 -1.165 5.297 1.00 25.00 C ATOM 640 C LEU A 42 28.989 -2.401 4.446 1.00 25.00 C ATOM 641 O LEU A 42 27.931 -3.020 4.497 1.00 25.00 O ATOM 642 CB LEU A 42 28.426 -1.254 6.598 1.00 25.00 C ATOM 643 CG LEU A 42 28.450 -0.028 7.510 1.00 25.00 C ATOM 644 CD1 LEU A 42 27.329 -0.160 8.512 1.00 25.00 C ATOM 645 CD2 LEU A 42 29.768 0.093 8.238 1.00 25.00 C ATOM 0 H LEU A 42 27.782 0.207 4.678 1.00 25.00 H new ATOM 0 HA LEU A 42 30.275 -1.074 5.551 1.00 25.00 H new ATOM 0 HB2 LEU A 42 27.387 -1.470 6.348 1.00 25.00 H new ATOM 0 HB3 LEU A 42 28.801 -2.106 7.166 1.00 25.00 H new ATOM 0 HG LEU A 42 28.324 0.868 6.902 1.00 25.00 H new ATOM 0 HD11 LEU A 42 27.328 0.706 9.174 1.00 25.00 H new ATOM 0 HD12 LEU A 42 26.376 -0.216 7.986 1.00 25.00 H new ATOM 0 HD13 LEU A 42 27.472 -1.066 9.101 1.00 25.00 H new ATOM 0 HD21 LEU A 42 29.751 0.975 8.878 1.00 25.00 H new ATOM 0 HD22 LEU A 42 29.929 -0.795 8.849 1.00 25.00 H new ATOM 0 HD23 LEU A 42 30.577 0.186 7.513 1.00 25.00 H new ATOM 657 N ASP A 43 29.963 -2.728 3.620 1.00 25.00 N ATOM 658 CA ASP A 43 29.839 -3.870 2.716 1.00 25.00 C ATOM 659 C ASP A 43 29.540 -5.140 3.503 1.00 25.00 C ATOM 660 O ASP A 43 30.195 -5.450 4.502 1.00 25.00 O ATOM 661 CB ASP A 43 31.123 -4.079 1.916 1.00 25.00 C ATOM 662 CG ASP A 43 31.212 -3.172 0.704 1.00 25.00 C ATOM 663 OD1 ASP A 43 30.241 -3.127 -0.080 1.00 25.00 O ATOM 664 OD2 ASP A 43 32.277 -2.551 0.501 1.00 25.00 O ATOM 0 H ASP A 43 30.848 -2.226 3.551 1.00 25.00 H new ATOM 0 HA ASP A 43 29.020 -3.658 2.029 1.00 25.00 H new ATOM 0 HB2 ASP A 43 31.982 -3.900 2.562 1.00 25.00 H new ATOM 0 HB3 ASP A 43 31.179 -5.118 1.592 1.00 25.00 H new ATOM 669 N GLY A 44 28.529 -5.869 3.059 1.00 25.00 N ATOM 670 CA GLY A 44 28.146 -7.102 3.722 1.00 25.00 C ATOM 671 C GLY A 44 27.142 -6.917 4.847 1.00 25.00 C ATOM 672 O GLY A 44 26.523 -7.895 5.269 1.00 25.00 O ATOM 0 H GLY A 44 27.962 -5.629 2.246 1.00 25.00 H new ATOM 0 HA2 GLY A 44 27.725 -7.784 2.983 1.00 25.00 H new ATOM 0 HA3 GLY A 44 29.040 -7.579 4.123 1.00 25.00 H new ATOM 676 N TRP A 45 26.947 -5.698 5.328 1.00 25.00 N ATOM 677 CA TRP A 45 25.963 -5.428 6.356 1.00 25.00 C ATOM 678 C TRP A 45 24.649 -5.066 5.687 1.00 25.00 C ATOM 679 O TRP A 45 24.608 -4.244 4.783 1.00 25.00 O ATOM 680 CB TRP A 45 26.469 -4.270 7.200 1.00 25.00 C ATOM 681 CG TRP A 45 27.549 -4.699 8.139 1.00 25.00 C ATOM 682 CD1 TRP A 45 28.883 -4.491 8.021 1.00 25.00 C ATOM 683 CD2 TRP A 45 27.385 -5.430 9.363 1.00 25.00 C ATOM 684 NE1 TRP A 45 29.570 -5.010 9.076 1.00 25.00 N ATOM 685 CE2 TRP A 45 28.680 -5.613 9.925 1.00 25.00 C ATOM 686 CE3 TRP A 45 26.271 -5.941 10.049 1.00 25.00 C ATOM 687 CZ2 TRP A 45 28.878 -6.293 11.144 1.00 25.00 C ATOM 688 CZ3 TRP A 45 26.462 -6.606 11.274 1.00 25.00 C ATOM 689 CH2 TRP A 45 27.763 -6.781 11.806 1.00 25.00 C ATOM 0 H TRP A 45 27.464 -4.876 5.017 1.00 25.00 H new ATOM 0 HA TRP A 45 25.806 -6.299 6.992 1.00 25.00 H new ATOM 0 HB2 TRP A 45 26.846 -3.482 6.548 1.00 25.00 H new ATOM 0 HB3 TRP A 45 25.641 -3.845 7.768 1.00 25.00 H new ATOM 0 HD1 TRP A 45 29.345 -3.976 7.191 1.00 25.00 H new ATOM 0 HE1 TRP A 45 30.580 -4.958 9.212 1.00 25.00 H new ATOM 0 HE3 TRP A 45 25.278 -5.825 9.640 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 29.870 -6.429 11.550 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 25.608 -6.987 11.814 1.00 25.00 H new ATOM 0 HH2 TRP A 45 27.888 -7.303 12.743 1.00 25.00 H new ATOM 700 N TRP A 46 23.567 -5.703 6.101 1.00 25.00 N ATOM 701 CA TRP A 46 22.264 -5.467 5.486 1.00 25.00 C ATOM 702 C TRP A 46 21.355 -4.795 6.501 1.00 25.00 C ATOM 703 O TRP A 46 21.181 -5.295 7.605 1.00 25.00 O ATOM 704 CB TRP A 46 21.650 -6.790 5.000 1.00 25.00 C ATOM 705 CG TRP A 46 22.464 -7.478 3.903 1.00 25.00 C ATOM 706 CD1 TRP A 46 23.600 -7.023 3.299 1.00 25.00 C ATOM 707 CD2 TRP A 46 22.205 -8.761 3.288 1.00 25.00 C ATOM 708 NE1 TRP A 46 24.069 -7.898 2.371 1.00 25.00 N ATOM 709 CE2 TRP A 46 23.246 -8.987 2.335 1.00 25.00 C ATOM 710 CE3 TRP A 46 21.203 -9.743 3.445 1.00 25.00 C ATOM 711 CZ2 TRP A 46 23.301 -10.152 1.542 1.00 25.00 C ATOM 712 CZ3 TRP A 46 21.272 -10.925 2.664 1.00 25.00 C ATOM 713 CH2 TRP A 46 22.314 -11.108 1.713 1.00 25.00 C ATOM 0 H TRP A 46 23.561 -6.387 6.858 1.00 25.00 H new ATOM 0 HA TRP A 46 22.382 -4.817 4.619 1.00 25.00 H new ATOM 0 HB2 TRP A 46 21.553 -7.468 5.848 1.00 25.00 H new ATOM 0 HB3 TRP A 46 20.644 -6.598 4.628 1.00 25.00 H new ATOM 0 HD1 TRP A 46 24.071 -6.079 3.531 1.00 25.00 H new ATOM 0 HE1 TRP A 46 24.900 -7.763 1.795 1.00 25.00 H new ATOM 0 HE3 TRP A 46 20.397 -9.597 4.149 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 24.092 -10.295 0.821 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 20.525 -11.695 2.793 1.00 25.00 H new ATOM 0 HH2 TRP A 46 22.336 -12.007 1.115 1.00 25.00 H new ATOM 724 N LEU A 47 20.792 -3.657 6.130 1.00 25.00 N ATOM 725 CA LEU A 47 19.879 -2.931 6.999 1.00 25.00 C ATOM 726 C LEU A 47 18.577 -3.685 6.997 1.00 25.00 C ATOM 727 O LEU A 47 17.981 -3.885 5.944 1.00 25.00 O ATOM 728 CB LEU A 47 19.636 -1.518 6.467 1.00 25.00 C ATOM 729 CG LEU A 47 18.659 -0.645 7.262 1.00 25.00 C ATOM 730 CD1 LEU A 47 19.089 -0.471 8.709 1.00 25.00 C ATOM 731 CD2 LEU A 47 18.522 0.714 6.586 1.00 25.00 C ATOM 0 H LEU A 47 20.953 -3.213 5.226 1.00 25.00 H new ATOM 0 HA LEU A 47 20.299 -2.850 8.002 1.00 25.00 H new ATOM 0 HB2 LEU A 47 20.595 -1.002 6.421 1.00 25.00 H new ATOM 0 HB3 LEU A 47 19.267 -1.598 5.444 1.00 25.00 H new ATOM 0 HG LEU A 47 17.694 -1.152 7.274 1.00 25.00 H new ATOM 0 HD11 LEU A 47 18.365 0.155 9.231 1.00 25.00 H new ATOM 0 HD12 LEU A 47 19.141 -1.446 9.193 1.00 25.00 H new ATOM 0 HD13 LEU A 47 20.070 0.003 8.743 1.00 25.00 H new ATOM 0 HD21 LEU A 47 17.827 1.334 7.152 1.00 25.00 H new ATOM 0 HD22 LEU A 47 19.496 1.202 6.549 1.00 25.00 H new ATOM 0 HD23 LEU A 47 18.145 0.580 5.572 1.00 25.00 H new ATOM 743 N CYS A 48 18.135 -4.111 8.162 1.00 25.00 N ATOM 744 CA CYS A 48 16.888 -4.837 8.278 1.00 25.00 C ATOM 745 C CYS A 48 16.076 -4.312 9.436 1.00 25.00 C ATOM 746 O CYS A 48 16.552 -3.506 10.231 1.00 25.00 O ATOM 747 CB CYS A 48 17.158 -6.337 8.461 1.00 25.00 C ATOM 748 SG CYS A 48 18.337 -7.028 7.269 1.00 25.00 S ATOM 0 H CYS A 48 18.624 -3.966 9.046 1.00 25.00 H new ATOM 0 HA CYS A 48 16.320 -4.692 7.359 1.00 25.00 H new ATOM 0 HB2 CYS A 48 17.536 -6.507 9.469 1.00 25.00 H new ATOM 0 HB3 CYS A 48 16.215 -6.878 8.378 1.00 25.00 H new ATOM 0 HG CYS A 48 19.478 -6.416 7.383 1.00 25.00 H new ATOM 754 N SER A 49 14.847 -4.786 9.527 1.00 25.00 N ATOM 755 CA SER A 49 13.958 -4.428 10.610 1.00 25.00 C ATOM 756 C SER A 49 13.373 -5.705 11.211 1.00 25.00 C ATOM 757 O SER A 49 12.923 -6.605 10.487 1.00 25.00 O ATOM 758 CB SER A 49 12.879 -3.478 10.089 1.00 25.00 C ATOM 759 OG SER A 49 11.606 -4.095 10.007 1.00 25.00 O ATOM 0 H SER A 49 14.439 -5.431 8.850 1.00 25.00 H new ATOM 0 HA SER A 49 14.496 -3.904 11.400 1.00 25.00 H new ATOM 0 HB2 SER A 49 12.817 -2.610 10.745 1.00 25.00 H new ATOM 0 HB3 SER A 49 13.166 -3.113 9.103 1.00 25.00 H new ATOM 0 HG SER A 49 10.950 -3.449 9.671 1.00 25.00 H new ATOM 765 N LEU A 50 13.452 -5.806 12.530 1.00 25.00 N ATOM 766 CA LEU A 50 12.975 -6.970 13.279 1.00 25.00 C ATOM 767 C LEU A 50 12.437 -6.468 14.613 1.00 25.00 C ATOM 768 O LEU A 50 13.059 -5.613 15.226 1.00 25.00 O ATOM 769 CB LEU A 50 14.133 -7.940 13.532 1.00 25.00 C ATOM 770 CG LEU A 50 13.718 -9.278 14.158 1.00 25.00 C ATOM 771 CD1 LEU A 50 13.948 -10.385 13.186 1.00 25.00 C ATOM 772 CD2 LEU A 50 14.478 -9.544 15.447 1.00 25.00 C ATOM 0 H LEU A 50 13.852 -5.077 13.121 1.00 25.00 H new ATOM 0 HA LEU A 50 12.201 -7.492 12.717 1.00 25.00 H new ATOM 0 HB2 LEU A 50 14.638 -8.137 12.586 1.00 25.00 H new ATOM 0 HB3 LEU A 50 14.859 -7.457 14.186 1.00 25.00 H new ATOM 0 HG LEU A 50 12.657 -9.226 14.401 1.00 25.00 H new ATOM 0 HD11 LEU A 50 13.651 -11.332 13.636 1.00 25.00 H new ATOM 0 HD12 LEU A 50 13.356 -10.209 12.288 1.00 25.00 H new ATOM 0 HD13 LEU A 50 15.005 -10.424 12.922 1.00 25.00 H new ATOM 0 HD21 LEU A 50 14.161 -10.499 15.866 1.00 25.00 H new ATOM 0 HD22 LEU A 50 15.547 -9.576 15.239 1.00 25.00 H new ATOM 0 HD23 LEU A 50 14.271 -8.748 16.162 1.00 25.00 H new ATOM 784 N HIS A 51 11.269 -6.954 15.027 1.00 25.00 N ATOM 785 CA HIS A 51 10.618 -6.524 16.286 1.00 25.00 C ATOM 786 C HIS A 51 10.441 -4.992 16.351 1.00 25.00 C ATOM 787 O HIS A 51 10.475 -4.395 17.421 1.00 25.00 O ATOM 788 CB HIS A 51 11.412 -7.016 17.517 1.00 25.00 C ATOM 789 CG HIS A 51 11.235 -8.473 17.815 1.00 25.00 C ATOM 790 ND1 HIS A 51 11.041 -8.977 19.076 1.00 25.00 N ATOM 791 CD2 HIS A 51 11.220 -9.563 16.995 1.00 25.00 C ATOM 792 CE1 HIS A 51 10.915 -10.296 18.984 1.00 25.00 C ATOM 793 NE2 HIS A 51 11.008 -10.706 17.738 1.00 25.00 N ATOM 0 H HIS A 51 10.740 -7.655 14.509 1.00 25.00 H new ATOM 0 HA HIS A 51 9.627 -6.978 16.299 1.00 25.00 H new ATOM 0 HB2 HIS A 51 12.471 -6.815 17.357 1.00 25.00 H new ATOM 0 HB3 HIS A 51 11.106 -6.438 18.389 1.00 25.00 H new ATOM 0 HD2 HIS A 51 11.354 -9.535 15.924 1.00 25.00 H new ATOM 0 HE1 HIS A 51 10.756 -10.951 19.828 1.00 25.00 H new ATOM 0 HE2 HIS A 51 10.938 -11.664 17.394 1.00 25.00 H new ATOM 801 N GLY A 52 10.240 -4.361 15.201 1.00 25.00 N ATOM 802 CA GLY A 52 10.052 -2.914 15.162 1.00 25.00 C ATOM 803 C GLY A 52 11.326 -2.123 15.421 1.00 25.00 C ATOM 804 O GLY A 52 11.278 -0.914 15.622 1.00 25.00 O ATOM 0 H GLY A 52 10.203 -4.821 14.291 1.00 25.00 H new ATOM 0 HA2 GLY A 52 9.654 -2.635 14.187 1.00 25.00 H new ATOM 0 HA3 GLY A 52 9.304 -2.634 15.904 1.00 25.00 H new ATOM 808 N ARG A 53 12.466 -2.798 15.405 1.00 25.00 N ATOM 809 CA ARG A 53 13.761 -2.173 15.640 1.00 25.00 C ATOM 810 C ARG A 53 14.503 -2.304 14.333 1.00 25.00 C ATOM 811 O ARG A 53 14.424 -3.337 13.679 1.00 25.00 O ATOM 812 CB ARG A 53 14.498 -2.918 16.762 1.00 25.00 C ATOM 813 CG ARG A 53 15.387 -2.050 17.660 1.00 25.00 C ATOM 814 CD ARG A 53 16.724 -1.695 17.012 1.00 25.00 C ATOM 815 NE ARG A 53 17.710 -1.281 18.023 1.00 25.00 N ATOM 816 CZ ARG A 53 18.961 -0.906 17.771 1.00 25.00 C ATOM 817 NH1 ARG A 53 19.460 -0.837 16.565 1.00 25.00 N ATOM 818 NH2 ARG A 53 19.728 -0.593 18.771 1.00 25.00 N ATOM 0 H ARG A 53 12.520 -3.801 15.228 1.00 25.00 H new ATOM 0 HA ARG A 53 13.675 -1.131 15.949 1.00 25.00 H new ATOM 0 HB2 ARG A 53 13.759 -3.419 17.388 1.00 25.00 H new ATOM 0 HB3 ARG A 53 15.115 -3.696 16.313 1.00 25.00 H new ATOM 0 HG2 ARG A 53 14.855 -1.132 17.910 1.00 25.00 H new ATOM 0 HG3 ARG A 53 15.572 -2.576 18.597 1.00 25.00 H new ATOM 0 HD2 ARG A 53 17.104 -2.555 16.460 1.00 25.00 H new ATOM 0 HD3 ARG A 53 16.580 -0.891 16.290 1.00 25.00 H new ATOM 0 HE ARG A 53 17.409 -1.282 18.998 1.00 25.00 H new ATOM 0 HH11 ARG A 53 18.882 -1.077 15.760 1.00 25.00 H new ATOM 0 HH12 ARG A 53 20.427 -0.543 16.429 1.00 25.00 H new ATOM 0 HH21 ARG A 53 19.367 -0.638 19.724 1.00 25.00 H new ATOM 0 HH22 ARG A 53 20.691 -0.302 18.603 1.00 25.00 H new ATOM 832 N GLN A 54 15.198 -1.259 13.940 1.00 25.00 N ATOM 833 CA GLN A 54 15.967 -1.272 12.704 1.00 25.00 C ATOM 834 C GLN A 54 17.435 -1.414 13.045 1.00 25.00 C ATOM 835 O GLN A 54 17.873 -0.925 14.082 1.00 25.00 O ATOM 836 CB GLN A 54 15.739 0.026 11.939 1.00 25.00 C ATOM 837 CG GLN A 54 15.024 -0.180 10.640 1.00 25.00 C ATOM 838 CD GLN A 54 14.753 1.122 9.912 1.00 25.00 C ATOM 839 OE1 GLN A 54 13.614 1.461 9.647 1.00 25.00 O ATOM 840 NE2 GLN A 54 15.792 1.844 9.580 1.00 25.00 N ATOM 0 H GLN A 54 15.250 -0.382 14.459 1.00 25.00 H new ATOM 0 HA GLN A 54 15.649 -2.108 12.080 1.00 25.00 H new ATOM 0 HB2 GLN A 54 15.162 0.711 12.560 1.00 25.00 H new ATOM 0 HB3 GLN A 54 16.701 0.502 11.747 1.00 25.00 H new ATOM 0 HG2 GLN A 54 15.619 -0.832 10.001 1.00 25.00 H new ATOM 0 HG3 GLN A 54 14.080 -0.691 10.826 1.00 25.00 H new ATOM 0 HE21 GLN A 54 16.731 1.527 9.820 1.00 25.00 H new ATOM 0 HE22 GLN A 54 15.663 2.724 9.082 1.00 25.00 H new ATOM 849 N GLY A 55 18.190 -2.065 12.179 1.00 25.00 N ATOM 850 CA GLY A 55 19.615 -2.197 12.402 1.00 25.00 C ATOM 851 C GLY A 55 20.315 -3.022 11.345 1.00 25.00 C ATOM 852 O GLY A 55 19.661 -3.635 10.500 1.00 25.00 O ATOM 0 H GLY A 55 17.845 -2.505 11.326 1.00 25.00 H new ATOM 0 HA2 GLY A 55 20.064 -1.204 12.433 1.00 25.00 H new ATOM 0 HA3 GLY A 55 19.782 -2.653 13.378 1.00 25.00 H new ATOM 856 N ILE A 56 21.637 -3.032 11.381 1.00 25.00 N ATOM 857 CA ILE A 56 22.433 -3.790 10.424 1.00 25.00 C ATOM 858 C ILE A 56 22.519 -5.248 10.867 1.00 25.00 C ATOM 859 O ILE A 56 22.346 -5.578 12.044 1.00 25.00 O ATOM 860 CB ILE A 56 23.861 -3.177 10.254 1.00 25.00 C ATOM 861 CG1 ILE A 56 24.656 -3.289 11.572 1.00 25.00 C ATOM 862 CG2 ILE A 56 23.732 -1.700 9.837 1.00 25.00 C ATOM 863 CD1 ILE A 56 26.060 -2.713 11.516 1.00 25.00 C ATOM 0 H ILE A 56 22.188 -2.519 12.069 1.00 25.00 H new ATOM 0 HA ILE A 56 21.942 -3.740 9.452 1.00 25.00 H new ATOM 0 HB ILE A 56 24.399 -3.728 9.482 1.00 25.00 H new ATOM 0 HG12 ILE A 56 24.100 -2.781 12.360 1.00 25.00 H new ATOM 0 HG13 ILE A 56 24.720 -4.340 11.854 1.00 25.00 H new ATOM 0 HG21 ILE A 56 24.725 -1.268 9.717 1.00 25.00 H new ATOM 0 HG22 ILE A 56 23.191 -1.634 8.893 1.00 25.00 H new ATOM 0 HG23 ILE A 56 23.188 -1.151 10.606 1.00 25.00 H new ATOM 0 HD11 ILE A 56 26.543 -2.836 12.486 1.00 25.00 H new ATOM 0 HD12 ILE A 56 26.638 -3.236 10.754 1.00 25.00 H new ATOM 0 HD13 ILE A 56 26.009 -1.653 11.268 1.00 25.00 H new ATOM 875 N VAL A 57 22.741 -6.116 9.898 1.00 25.00 N ATOM 876 CA VAL A 57 22.830 -7.558 10.125 1.00 25.00 C ATOM 877 C VAL A 57 23.926 -8.111 9.222 1.00 25.00 C ATOM 878 O VAL A 57 24.025 -7.701 8.065 1.00 25.00 O ATOM 879 CB VAL A 57 21.499 -8.258 9.732 1.00 25.00 C ATOM 880 CG1 VAL A 57 21.579 -9.745 9.915 1.00 25.00 C ATOM 881 CG2 VAL A 57 20.329 -7.680 10.525 1.00 25.00 C ATOM 0 H VAL A 57 22.866 -5.845 8.923 1.00 25.00 H new ATOM 0 HA VAL A 57 23.039 -7.740 11.179 1.00 25.00 H new ATOM 0 HB VAL A 57 21.329 -8.066 8.673 1.00 25.00 H new ATOM 0 HG11 VAL A 57 20.630 -10.198 9.630 1.00 25.00 H new ATOM 0 HG12 VAL A 57 22.375 -10.146 9.288 1.00 25.00 H new ATOM 0 HG13 VAL A 57 21.790 -9.972 10.960 1.00 25.00 H new ATOM 0 HG21 VAL A 57 19.408 -8.184 10.234 1.00 25.00 H new ATOM 0 HG22 VAL A 57 20.503 -7.829 11.591 1.00 25.00 H new ATOM 0 HG23 VAL A 57 20.240 -6.614 10.317 1.00 25.00 H new ATOM 891 N PRO A 58 24.745 -9.058 9.712 1.00 25.00 N ATOM 892 CA PRO A 58 25.741 -9.622 8.801 1.00 25.00 C ATOM 893 C PRO A 58 25.071 -10.483 7.722 1.00 25.00 C ATOM 894 O PRO A 58 24.405 -11.482 8.020 1.00 25.00 O ATOM 895 CB PRO A 58 26.625 -10.453 9.739 1.00 25.00 C ATOM 896 CG PRO A 58 25.715 -10.860 10.844 1.00 25.00 C ATOM 897 CD PRO A 58 24.803 -9.683 11.046 1.00 25.00 C ATOM 0 HA PRO A 58 26.306 -8.873 8.246 1.00 25.00 H new ATOM 0 HB2 PRO A 58 27.041 -11.321 9.227 1.00 25.00 H new ATOM 0 HB3 PRO A 58 27.467 -9.869 10.112 1.00 25.00 H new ATOM 0 HG2 PRO A 58 25.152 -11.756 10.583 1.00 25.00 H new ATOM 0 HG3 PRO A 58 26.273 -11.088 11.752 1.00 25.00 H new ATOM 0 HD2 PRO A 58 23.815 -9.994 11.386 1.00 25.00 H new ATOM 0 HD3 PRO A 58 25.196 -8.995 11.795 1.00 25.00 H new ATOM 905 N GLY A 59 25.254 -10.103 6.466 1.00 25.00 N ATOM 906 CA GLY A 59 24.642 -10.818 5.355 1.00 25.00 C ATOM 907 C GLY A 59 25.085 -12.264 5.279 1.00 25.00 C ATOM 908 O GLY A 59 24.362 -13.120 4.789 1.00 25.00 O ATOM 0 H GLY A 59 25.822 -9.302 6.190 1.00 25.00 H new ATOM 0 HA2 GLY A 59 23.557 -10.779 5.456 1.00 25.00 H new ATOM 0 HA3 GLY A 59 24.894 -10.315 4.421 1.00 25.00 H new ATOM 912 N ASN A 60 26.259 -12.550 5.830 1.00 25.00 N ATOM 913 CA ASN A 60 26.795 -13.913 5.861 1.00 25.00 C ATOM 914 C ASN A 60 25.915 -14.881 6.672 1.00 25.00 C ATOM 915 O ASN A 60 26.031 -16.095 6.522 1.00 25.00 O ATOM 916 CB ASN A 60 28.212 -13.900 6.454 1.00 25.00 C ATOM 917 CG ASN A 60 29.159 -14.828 5.721 1.00 25.00 C ATOM 918 OD1 ASN A 60 30.236 -14.430 5.326 1.00 25.00 O ATOM 919 ND2 ASN A 60 28.755 -16.051 5.520 1.00 25.00 N ATOM 0 H ASN A 60 26.864 -11.854 6.265 1.00 25.00 H new ATOM 0 HA ASN A 60 26.813 -14.271 4.832 1.00 25.00 H new ATOM 0 HB2 ASN A 60 28.606 -12.884 6.421 1.00 25.00 H new ATOM 0 HB3 ASN A 60 28.165 -14.190 7.504 1.00 25.00 H new ATOM 0 HD21 ASN A 60 29.350 -16.708 5.016 1.00 25.00 H new ATOM 0 HD22 ASN A 60 27.844 -16.350 5.866 1.00 25.00 H new ATOM 926 N ARG A 61 25.034 -14.353 7.517 1.00 25.00 N ATOM 927 CA ARG A 61 24.140 -15.187 8.328 1.00 25.00 C ATOM 928 C ARG A 61 22.688 -15.071 7.871 1.00 25.00 C ATOM 929 O ARG A 61 21.784 -15.588 8.536 1.00 25.00 O ATOM 930 CB ARG A 61 24.248 -14.792 9.807 1.00 25.00 C ATOM 931 CG ARG A 61 25.643 -14.981 10.389 1.00 25.00 C ATOM 932 CD ARG A 61 25.643 -14.766 11.893 1.00 25.00 C ATOM 933 NE ARG A 61 26.982 -14.984 12.466 1.00 25.00 N ATOM 934 CZ ARG A 61 27.262 -15.068 13.761 1.00 25.00 C ATOM 935 NH1 ARG A 61 26.345 -14.989 14.691 1.00 25.00 N ATOM 936 NH2 ARG A 61 28.498 -15.251 14.120 1.00 25.00 N ATOM 0 H ARG A 61 24.917 -13.350 7.661 1.00 25.00 H new ATOM 0 HA ARG A 61 24.452 -16.224 8.200 1.00 25.00 H new ATOM 0 HB2 ARG A 61 23.956 -13.748 9.918 1.00 25.00 H new ATOM 0 HB3 ARG A 61 23.539 -15.384 10.385 1.00 25.00 H new ATOM 0 HG2 ARG A 61 26.002 -15.985 10.162 1.00 25.00 H new ATOM 0 HG3 ARG A 61 26.334 -14.282 9.919 1.00 25.00 H new ATOM 0 HD2 ARG A 61 25.310 -13.753 12.117 1.00 25.00 H new ATOM 0 HD3 ARG A 61 24.931 -15.446 12.360 1.00 25.00 H new ATOM 0 HE ARG A 61 27.760 -15.078 11.813 1.00 25.00 H new ATOM 0 HH11 ARG A 61 25.367 -14.857 14.433 1.00 25.00 H new ATOM 0 HH12 ARG A 61 26.608 -15.059 15.674 1.00 25.00 H new ATOM 0 HH21 ARG A 61 29.229 -15.327 13.412 1.00 25.00 H new ATOM 0 HH22 ARG A 61 28.737 -15.319 15.109 1.00 25.00 H new ATOM 950 N LEU A 62 22.459 -14.414 6.741 1.00 25.00 N ATOM 951 CA LEU A 62 21.104 -14.214 6.227 1.00 25.00 C ATOM 952 C LEU A 62 20.873 -14.806 4.856 1.00 25.00 C ATOM 953 O LEU A 62 21.767 -14.888 4.024 1.00 25.00 O ATOM 954 CB LEU A 62 20.788 -12.726 6.128 1.00 25.00 C ATOM 955 CG LEU A 62 20.028 -12.119 7.307 1.00 25.00 C ATOM 956 CD1 LEU A 62 19.786 -10.657 6.997 1.00 25.00 C ATOM 957 CD2 LEU A 62 18.699 -12.811 7.588 1.00 25.00 C ATOM 0 H LEU A 62 23.193 -14.009 6.160 1.00 25.00 H new ATOM 0 HA LEU A 62 20.456 -14.727 6.938 1.00 25.00 H new ATOM 0 HB2 LEU A 62 21.726 -12.184 6.009 1.00 25.00 H new ATOM 0 HB3 LEU A 62 20.206 -12.559 5.222 1.00 25.00 H new ATOM 0 HG LEU A 62 20.633 -12.249 8.204 1.00 25.00 H new ATOM 0 HD11 LEU A 62 19.244 -10.195 7.822 1.00 25.00 H new ATOM 0 HD12 LEU A 62 20.742 -10.151 6.862 1.00 25.00 H new ATOM 0 HD13 LEU A 62 19.198 -10.571 6.083 1.00 25.00 H new ATOM 0 HD21 LEU A 62 18.211 -12.331 8.436 1.00 25.00 H new ATOM 0 HD22 LEU A 62 18.057 -12.736 6.710 1.00 25.00 H new ATOM 0 HD23 LEU A 62 18.877 -13.861 7.818 1.00 25.00 H new ATOM 969 N LYS A 63 19.623 -15.160 4.611 1.00 25.00 N ATOM 970 CA LYS A 63 19.199 -15.633 3.296 1.00 25.00 C ATOM 971 C LYS A 63 18.005 -14.854 2.832 1.00 25.00 C ATOM 972 O LYS A 63 16.952 -14.900 3.453 1.00 25.00 O ATOM 973 CB LYS A 63 18.835 -17.117 3.352 1.00 25.00 C ATOM 974 CG LYS A 63 18.335 -17.686 2.015 1.00 25.00 C ATOM 975 CD LYS A 63 18.165 -19.205 2.061 1.00 25.00 C ATOM 976 CE LYS A 63 19.525 -19.890 2.098 1.00 25.00 C ATOM 977 NZ LYS A 63 19.448 -21.393 2.062 1.00 25.00 N ATOM 0 H LYS A 63 18.878 -15.130 5.307 1.00 25.00 H new ATOM 0 HA LYS A 63 20.025 -15.492 2.599 1.00 25.00 H new ATOM 0 HB2 LYS A 63 19.709 -17.684 3.673 1.00 25.00 H new ATOM 0 HB3 LYS A 63 18.065 -17.264 4.109 1.00 25.00 H new ATOM 0 HG2 LYS A 63 17.382 -17.223 1.759 1.00 25.00 H new ATOM 0 HG3 LYS A 63 19.039 -17.425 1.225 1.00 25.00 H new ATOM 0 HD2 LYS A 63 17.585 -19.486 2.940 1.00 25.00 H new ATOM 0 HD3 LYS A 63 17.605 -19.541 1.189 1.00 25.00 H new ATOM 0 HE2 LYS A 63 20.118 -19.545 1.251 1.00 25.00 H new ATOM 0 HE3 LYS A 63 20.051 -19.584 3.002 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 20.409 -21.791 2.090 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 18.909 -21.733 2.884 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 18.974 -21.695 1.187 1.00 25.00 H new ATOM 991 N ILE A 64 18.155 -14.185 1.705 1.00 25.00 N ATOM 992 CA ILE A 64 17.057 -13.448 1.106 1.00 25.00 C ATOM 993 C ILE A 64 16.057 -14.467 0.580 1.00 25.00 C ATOM 994 O ILE A 64 16.426 -15.390 -0.149 1.00 25.00 O ATOM 995 CB ILE A 64 17.541 -12.575 -0.074 1.00 25.00 C ATOM 996 CG1 ILE A 64 18.659 -11.607 0.360 1.00 25.00 C ATOM 997 CG2 ILE A 64 16.385 -11.781 -0.654 1.00 25.00 C ATOM 998 CD1 ILE A 64 18.254 -10.532 1.391 1.00 25.00 C ATOM 0 H ILE A 64 19.030 -14.136 1.183 1.00 25.00 H new ATOM 0 HA ILE A 64 16.614 -12.790 1.854 1.00 25.00 H new ATOM 0 HB ILE A 64 17.941 -13.247 -0.833 1.00 25.00 H new ATOM 0 HG12 ILE A 64 19.479 -12.192 0.776 1.00 25.00 H new ATOM 0 HG13 ILE A 64 19.044 -11.105 -0.528 1.00 25.00 H new ATOM 0 HG21 ILE A 64 16.742 -11.171 -1.484 1.00 25.00 H new ATOM 0 HG22 ILE A 64 15.616 -12.466 -1.012 1.00 25.00 H new ATOM 0 HG23 ILE A 64 15.965 -11.134 0.116 1.00 25.00 H new ATOM 0 HD11 ILE A 64 19.117 -9.908 1.624 1.00 25.00 H new ATOM 0 HD12 ILE A 64 17.459 -9.912 0.977 1.00 25.00 H new ATOM 0 HD13 ILE A 64 17.900 -11.016 2.301 1.00 25.00 H new ATOM 1010 N LEU A 65 14.801 -14.321 0.961 1.00 25.00 N ATOM 1011 CA LEU A 65 13.767 -15.251 0.530 1.00 25.00 C ATOM 1012 C LEU A 65 13.077 -14.696 -0.713 1.00 25.00 C ATOM 1013 O LEU A 65 12.026 -14.064 -0.638 1.00 25.00 O ATOM 1014 CB LEU A 65 12.770 -15.492 1.667 1.00 25.00 C ATOM 1015 CG LEU A 65 13.402 -15.968 2.989 1.00 25.00 C ATOM 1016 CD1 LEU A 65 12.299 -16.102 4.032 1.00 25.00 C ATOM 1017 CD2 LEU A 65 14.181 -17.305 2.839 1.00 25.00 C ATOM 0 H LEU A 65 14.470 -13.570 1.567 1.00 25.00 H new ATOM 0 HA LEU A 65 14.214 -16.212 0.275 1.00 25.00 H new ATOM 0 HB2 LEU A 65 12.223 -14.568 1.854 1.00 25.00 H new ATOM 0 HB3 LEU A 65 12.041 -16.234 1.341 1.00 25.00 H new ATOM 0 HG LEU A 65 14.137 -15.226 3.303 1.00 25.00 H new ATOM 0 HD11 LEU A 65 12.729 -16.439 4.975 1.00 25.00 H new ATOM 0 HD12 LEU A 65 11.816 -15.136 4.178 1.00 25.00 H new ATOM 0 HD13 LEU A 65 11.561 -16.828 3.690 1.00 25.00 H new ATOM 0 HD21 LEU A 65 14.604 -17.590 3.802 1.00 25.00 H new ATOM 0 HD22 LEU A 65 13.502 -18.085 2.496 1.00 25.00 H new ATOM 0 HD23 LEU A 65 14.985 -17.178 2.113 1.00 25.00 H new ATOM 1327 N PRO A 89 29.130 -18.417 10.696 1.00 25.00 N ATOM 1328 CA PRO A 89 30.236 -17.689 10.064 1.00 25.00 C ATOM 1329 C PRO A 89 30.487 -16.317 10.709 1.00 25.00 C ATOM 1330 O PRO A 89 29.636 -15.802 11.452 1.00 25.00 O ATOM 1331 CB PRO A 89 29.755 -17.544 8.618 1.00 25.00 C ATOM 1332 CG PRO A 89 28.299 -17.457 8.737 1.00 25.00 C ATOM 1333 CD PRO A 89 27.944 -18.435 9.816 1.00 25.00 C ATOM 0 HA PRO A 89 31.190 -18.207 10.163 1.00 25.00 H new ATOM 0 HB2 PRO A 89 30.171 -16.654 8.146 1.00 25.00 H new ATOM 0 HB3 PRO A 89 30.056 -18.397 8.010 1.00 25.00 H new ATOM 0 HG2 PRO A 89 27.983 -16.447 8.999 1.00 25.00 H new ATOM 0 HG3 PRO A 89 27.809 -17.710 7.797 1.00 25.00 H new ATOM 0 HD2 PRO A 89 27.042 -18.135 10.350 1.00 25.00 H new ATOM 0 HD3 PRO A 89 27.758 -19.430 9.412 1.00 25.00 H new ATOM 1341 N PRO A 90 31.659 -15.708 10.447 1.00 25.00 N ATOM 1342 CA PRO A 90 31.962 -14.420 11.084 1.00 25.00 C ATOM 1343 C PRO A 90 31.174 -13.235 10.525 1.00 25.00 C ATOM 1344 O PRO A 90 30.532 -13.323 9.474 1.00 25.00 O ATOM 1345 CB PRO A 90 33.458 -14.251 10.799 1.00 25.00 C ATOM 1346 CG PRO A 90 33.650 -14.922 9.501 1.00 25.00 C ATOM 1347 CD PRO A 90 32.778 -16.150 9.588 1.00 25.00 C ATOM 0 HA PRO A 90 31.689 -14.429 12.139 1.00 25.00 H new ATOM 0 HB2 PRO A 90 33.739 -13.199 10.750 1.00 25.00 H new ATOM 0 HB3 PRO A 90 34.067 -14.708 11.579 1.00 25.00 H new ATOM 0 HG2 PRO A 90 33.352 -14.280 8.672 1.00 25.00 H new ATOM 0 HG3 PRO A 90 34.695 -15.186 9.340 1.00 25.00 H new ATOM 0 HD2 PRO A 90 32.430 -16.468 8.605 1.00 25.00 H new ATOM 0 HD3 PRO A 90 33.312 -16.994 10.025 1.00 25.00 H new ATOM 1355 N LYS A 91 31.247 -12.120 11.238 1.00 25.00 N ATOM 1356 CA LYS A 91 30.625 -10.867 10.811 1.00 25.00 C ATOM 1357 C LYS A 91 31.639 -10.111 9.950 1.00 25.00 C ATOM 1358 O LYS A 91 32.839 -10.179 10.223 1.00 25.00 O ATOM 1359 CB LYS A 91 30.299 -10.004 12.037 1.00 25.00 C ATOM 1360 CG LYS A 91 29.325 -10.642 13.025 1.00 25.00 C ATOM 1361 CD LYS A 91 29.104 -9.718 14.218 1.00 25.00 C ATOM 1362 CE LYS A 91 28.125 -10.312 15.214 1.00 25.00 C ATOM 1363 NZ LYS A 91 27.824 -9.322 16.289 1.00 25.00 N ATOM 0 H LYS A 91 31.738 -12.055 12.129 1.00 25.00 H new ATOM 0 HA LYS A 91 29.709 -11.076 10.258 1.00 25.00 H new ATOM 0 HB2 LYS A 91 31.227 -9.774 12.560 1.00 25.00 H new ATOM 0 HB3 LYS A 91 29.882 -9.056 11.697 1.00 25.00 H new ATOM 0 HG2 LYS A 91 28.375 -10.844 12.531 1.00 25.00 H new ATOM 0 HG3 LYS A 91 29.717 -11.600 13.366 1.00 25.00 H new ATOM 0 HD2 LYS A 91 30.057 -9.528 14.713 1.00 25.00 H new ATOM 0 HD3 LYS A 91 28.729 -8.756 13.869 1.00 25.00 H new ATOM 0 HE2 LYS A 91 27.205 -10.599 14.705 1.00 25.00 H new ATOM 0 HE3 LYS A 91 28.543 -11.219 15.651 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 26.893 -9.531 16.702 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 28.552 -9.381 17.029 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 27.817 -8.363 15.886 1.00 25.00 H new ATOM 1377 N PRO A 92 31.178 -9.364 8.931 1.00 25.00 N ATOM 1378 CA PRO A 92 32.152 -8.520 8.226 1.00 25.00 C ATOM 1379 C PRO A 92 32.602 -7.352 9.123 1.00 25.00 C ATOM 1380 O PRO A 92 31.926 -7.031 10.104 1.00 25.00 O ATOM 1381 CB PRO A 92 31.370 -8.043 6.995 1.00 25.00 C ATOM 1382 CG PRO A 92 29.956 -8.088 7.392 1.00 25.00 C ATOM 1383 CD PRO A 92 29.810 -9.180 8.410 1.00 25.00 C ATOM 0 HA PRO A 92 33.072 -9.037 7.954 1.00 25.00 H new ATOM 0 HB2 PRO A 92 31.666 -7.034 6.708 1.00 25.00 H new ATOM 0 HB3 PRO A 92 31.558 -8.687 6.136 1.00 25.00 H new ATOM 0 HG2 PRO A 92 29.644 -7.130 7.809 1.00 25.00 H new ATOM 0 HG3 PRO A 92 29.321 -8.282 6.528 1.00 25.00 H new ATOM 0 HD2 PRO A 92 29.116 -8.898 9.201 1.00 25.00 H new ATOM 0 HD3 PRO A 92 29.427 -10.096 7.961 1.00 25.00 H new