USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 466 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 7 ASN :FLIP amide:sc= -0.0808 F(o=-0.63,f=-0.081) 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= 0.321 X(o=0.32,f=-0.15) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0648 USER MOD Single : A 25 SER OG : rot 180:sc= 0.569 USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= 0.521 (180deg=-0.337) USER MOD Single : A 32 MET CE :methyl -167:sc= -1.46 (180deg=-1.83) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 68:sc= 1.23 USER MOD Single : A 40 GLN : amide:sc= -0.0858 K(o=-0.086,f=-2.3) USER MOD Single : A 48 CYS SG : rot 60:sc= -0.83 USER MOD Single : A 49 SER OG : rot 31:sc= 0.117 USER MOD Single : A 51 HIS : no HE2:sc= 0.0277 X(o=0.028,f=-0.18) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.0309 X(o=-0.031,f=-0.3) USER MOD Single : A 63 LYS NZ :NH3+ -128:sc= 0.542 (180deg=0.133) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 8.845 2.352 -20.303 1.00 25.00 N ATOM 81 CA LEU A 6 9.255 2.102 -21.690 1.00 25.00 C ATOM 82 C LEU A 6 8.069 2.216 -22.645 1.00 25.00 C ATOM 83 O LEU A 6 8.189 2.793 -23.717 1.00 25.00 O ATOM 84 CB LEU A 6 9.868 0.700 -21.818 1.00 25.00 C ATOM 85 CG LEU A 6 11.169 0.441 -21.039 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.517 -1.044 -21.119 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.328 1.275 -21.585 1.00 25.00 C ATOM 0 HA LEU A 6 9.996 2.856 -21.956 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.125 -0.027 -21.491 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.059 0.507 -22.874 1.00 25.00 H new ATOM 0 HG LEU A 6 11.010 0.734 -20.001 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.439 -1.232 -20.568 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.708 -1.631 -20.684 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.653 -1.330 -22.162 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.230 1.065 -21.010 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.498 1.021 -22.631 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.084 2.334 -21.504 1.00 25.00 H new ATOM 99 N ASN A 7 6.936 1.655 -22.230 1.00 25.00 N ATOM 100 CA ASN A 7 5.669 1.713 -22.982 1.00 25.00 C ATOM 101 C ASN A 7 5.772 1.136 -24.407 1.00 25.00 C ATOM 102 O ASN A 7 4.961 1.443 -25.273 1.00 25.00 O ATOM 103 CB ASN A 7 5.149 3.168 -23.013 1.00 25.00 C ATOM 104 CG ASN A 7 3.652 3.260 -23.255 1.00 25.00 C ATOM 105 OD1 ASN A 7 2.889 2.463 -22.553 1.00 25.00 O flip ATOM 106 ND2 ASN A 7 3.191 4.079 -24.027 1.00 25.00 N flip ATOM 0 H ASN A 7 6.863 1.140 -21.353 1.00 25.00 H new ATOM 0 HA ASN A 7 4.957 1.076 -22.457 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.389 3.654 -22.067 1.00 25.00 H new ATOM 0 HB3 ASN A 7 5.672 3.718 -23.795 1.00 25.00 H new ATOM 0 HD21 ASN A 7 3.815 4.686 -24.559 1.00 25.00 H new ATOM 0 HD22 ASN A 7 2.181 4.159 -24.142 1.00 25.00 H new ATOM 113 N VAL A 8 6.758 0.280 -24.633 1.00 25.00 N ATOM 114 CA VAL A 8 6.958 -0.354 -25.938 1.00 25.00 C ATOM 115 C VAL A 8 6.160 -1.640 -25.953 1.00 25.00 C ATOM 116 O VAL A 8 6.235 -2.413 -25.017 1.00 25.00 O ATOM 117 CB VAL A 8 8.447 -0.719 -26.162 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.642 -1.468 -27.482 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.320 0.542 -26.140 1.00 25.00 C ATOM 0 H VAL A 8 7.440 0.004 -23.926 1.00 25.00 H new ATOM 0 HA VAL A 8 6.643 0.338 -26.719 1.00 25.00 H new ATOM 0 HB VAL A 8 8.753 -1.376 -25.348 1.00 25.00 H new ATOM 0 HG11 VAL A 8 9.697 -1.710 -27.611 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.058 -2.388 -27.468 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.311 -0.840 -28.309 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.362 0.266 -26.299 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.000 1.220 -26.931 1.00 25.00 H new ATOM 0 HG23 VAL A 8 9.219 1.038 -25.174 1.00 25.00 H new ATOM 129 N LEU A 9 5.408 -1.887 -27.008 1.00 25.00 N ATOM 130 CA LEU A 9 4.603 -3.106 -27.088 1.00 25.00 C ATOM 131 C LEU A 9 5.363 -4.172 -27.849 1.00 25.00 C ATOM 132 O LEU A 9 6.289 -3.879 -28.614 1.00 25.00 O ATOM 133 CB LEU A 9 3.239 -2.890 -27.764 1.00 25.00 C ATOM 134 CG LEU A 9 2.864 -1.490 -28.250 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.652 -1.591 -29.167 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.525 -0.533 -27.084 1.00 25.00 C ATOM 0 H LEU A 9 5.333 -1.271 -27.818 1.00 25.00 H new ATOM 0 HA LEU A 9 4.412 -3.418 -26.061 1.00 25.00 H new ATOM 0 HB2 LEU A 9 3.188 -3.560 -28.622 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.470 -3.211 -27.062 1.00 25.00 H new ATOM 0 HG LEU A 9 3.727 -1.083 -28.777 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.378 -0.596 -29.518 1.00 25.00 H new ATOM 0 HD12 LEU A 9 1.894 -2.224 -30.021 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.816 -2.025 -28.619 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.265 0.448 -27.482 1.00 25.00 H new ATOM 0 HD22 LEU A 9 1.681 -0.931 -26.520 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.389 -0.441 -26.426 1.00 25.00 H new ATOM 148 N ALA A 10 4.951 -5.411 -27.658 1.00 25.00 N ATOM 149 CA ALA A 10 5.550 -6.525 -28.355 1.00 25.00 C ATOM 150 C ALA A 10 4.514 -7.623 -28.607 1.00 25.00 C ATOM 151 O ALA A 10 3.567 -7.788 -27.838 1.00 25.00 O ATOM 152 CB ALA A 10 6.727 -7.074 -27.536 1.00 25.00 C ATOM 0 H ALA A 10 4.198 -5.669 -27.020 1.00 25.00 H new ATOM 0 HA ALA A 10 5.919 -6.181 -29.321 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.177 -7.915 -28.064 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.472 -6.290 -27.399 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.368 -7.408 -26.562 1.00 25.00 H new ATOM 158 N LYS A 11 4.718 -8.364 -29.685 1.00 25.00 N ATOM 159 CA LYS A 11 3.848 -9.478 -30.067 1.00 25.00 C ATOM 160 C LYS A 11 4.430 -10.778 -29.553 1.00 25.00 C ATOM 161 O LYS A 11 5.615 -11.030 -29.742 1.00 25.00 O ATOM 162 CB LYS A 11 3.762 -9.540 -31.596 1.00 25.00 C ATOM 163 CG LYS A 11 2.897 -10.669 -32.143 1.00 25.00 C ATOM 164 CD LYS A 11 2.863 -10.620 -33.662 1.00 25.00 C ATOM 165 CE LYS A 11 1.959 -11.707 -34.222 1.00 25.00 C ATOM 166 NZ LYS A 11 1.922 -11.670 -35.726 1.00 25.00 N ATOM 0 H LYS A 11 5.496 -8.213 -30.327 1.00 25.00 H new ATOM 0 HA LYS A 11 2.856 -9.329 -29.640 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.370 -8.591 -31.962 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.769 -9.646 -31.998 1.00 25.00 H new ATOM 0 HG2 LYS A 11 3.290 -11.630 -31.812 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.885 -10.585 -31.747 1.00 25.00 H new ATOM 0 HD2 LYS A 11 2.509 -9.643 -33.990 1.00 25.00 H new ATOM 0 HD3 LYS A 11 3.872 -10.742 -34.056 1.00 25.00 H new ATOM 0 HE2 LYS A 11 2.312 -12.683 -33.889 1.00 25.00 H new ATOM 0 HE3 LYS A 11 0.950 -11.582 -33.829 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 1.297 -12.424 -36.077 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 1.562 -10.747 -36.042 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.881 -11.814 -36.101 1.00 25.00 H new ATOM 180 N ALA A 12 3.613 -11.618 -28.942 1.00 25.00 N ATOM 181 CA ALA A 12 4.079 -12.926 -28.508 1.00 25.00 C ATOM 182 C ALA A 12 4.172 -13.866 -29.705 1.00 25.00 C ATOM 183 O ALA A 12 3.263 -13.941 -30.535 1.00 25.00 O ATOM 184 CB ALA A 12 3.157 -13.495 -27.449 1.00 25.00 C ATOM 0 H ALA A 12 2.633 -11.422 -28.736 1.00 25.00 H new ATOM 0 HA ALA A 12 5.071 -12.820 -28.069 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.522 -14.474 -27.137 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.133 -12.825 -26.589 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.152 -13.596 -27.858 1.00 25.00 H new ATOM 190 N LEU A 13 5.280 -14.580 -29.783 1.00 25.00 N ATOM 191 CA LEU A 13 5.528 -15.529 -30.863 1.00 25.00 C ATOM 192 C LEU A 13 5.076 -16.924 -30.450 1.00 25.00 C ATOM 193 O LEU A 13 4.816 -17.777 -31.290 1.00 25.00 O ATOM 194 CB LEU A 13 7.028 -15.552 -31.184 1.00 25.00 C ATOM 195 CG LEU A 13 7.639 -14.218 -31.647 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.157 -14.351 -31.712 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.086 -13.805 -33.019 1.00 25.00 C ATOM 0 H LEU A 13 6.036 -14.521 -29.101 1.00 25.00 H new ATOM 0 HA LEU A 13 4.966 -15.221 -31.745 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.564 -15.886 -30.296 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.202 -16.297 -31.960 1.00 25.00 H new ATOM 0 HG LEU A 13 7.370 -13.443 -30.929 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.591 -13.407 -32.040 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.543 -14.604 -30.724 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.423 -15.137 -32.418 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.534 -12.859 -33.322 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.327 -14.573 -33.754 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.004 -13.690 -32.955 1.00 25.00 H new ATOM 209 N TYR A 14 4.982 -17.137 -29.146 1.00 25.00 N ATOM 210 CA TYR A 14 4.612 -18.435 -28.588 1.00 25.00 C ATOM 211 C TYR A 14 3.479 -18.251 -27.595 1.00 25.00 C ATOM 212 O TYR A 14 3.268 -17.156 -27.085 1.00 25.00 O ATOM 213 CB TYR A 14 5.807 -19.058 -27.867 1.00 25.00 C ATOM 214 CG TYR A 14 6.991 -19.333 -28.771 1.00 25.00 C ATOM 215 CD1 TYR A 14 7.980 -18.353 -28.990 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.134 -20.583 -29.409 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.095 -18.613 -29.827 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.248 -20.845 -30.253 1.00 25.00 C ATOM 219 CZ TYR A 14 9.215 -19.855 -30.455 1.00 25.00 C ATOM 220 OH TYR A 14 10.290 -20.098 -31.270 1.00 25.00 O ATOM 0 H TYR A 14 5.159 -16.419 -28.444 1.00 25.00 H new ATOM 0 HA TYR A 14 4.297 -19.092 -29.399 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.122 -18.392 -27.064 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.492 -19.992 -27.402 1.00 25.00 H new ATOM 0 HD1 TYR A 14 7.887 -17.389 -28.513 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.389 -21.350 -29.255 1.00 25.00 H new ATOM 0 HE1 TYR A 14 9.848 -17.854 -29.978 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.347 -21.806 -30.737 1.00 25.00 H new ATOM 0 HH TYR A 14 10.229 -21.007 -31.630 1.00 25.00 H new ATOM 230 N ASP A 15 2.765 -19.330 -27.319 1.00 25.00 N ATOM 231 CA ASP A 15 1.704 -19.354 -26.320 1.00 25.00 C ATOM 232 C ASP A 15 2.229 -20.017 -25.057 1.00 25.00 C ATOM 233 O ASP A 15 3.115 -20.863 -25.116 1.00 25.00 O ATOM 234 CB ASP A 15 0.439 -20.075 -26.841 1.00 25.00 C ATOM 235 CG ASP A 15 0.712 -21.468 -27.440 1.00 25.00 C ATOM 236 OD1 ASP A 15 -0.273 -22.226 -27.505 1.00 25.00 O ATOM 237 OD2 ASP A 15 1.758 -21.698 -28.095 1.00 25.00 O ATOM 0 H ASP A 15 2.906 -20.225 -27.787 1.00 25.00 H new ATOM 0 HA ASP A 15 1.408 -18.328 -26.098 1.00 25.00 H new ATOM 0 HB2 ASP A 15 -0.272 -20.177 -26.021 1.00 25.00 H new ATOM 0 HB3 ASP A 15 -0.035 -19.452 -27.599 1.00 25.00 H new ATOM 242 N ASN A 16 1.725 -19.564 -23.918 1.00 25.00 N ATOM 243 CA ASN A 16 2.200 -20.013 -22.614 1.00 25.00 C ATOM 244 C ASN A 16 1.099 -19.889 -21.561 1.00 25.00 C ATOM 245 O ASN A 16 0.193 -19.065 -21.695 1.00 25.00 O ATOM 246 CB ASN A 16 3.371 -19.128 -22.190 1.00 25.00 C ATOM 247 CG ASN A 16 4.103 -19.672 -21.004 1.00 25.00 C ATOM 248 OD1 ASN A 16 4.546 -20.803 -21.017 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.239 -18.876 -19.986 1.00 25.00 N ATOM 0 H ASN A 16 0.975 -18.874 -23.870 1.00 25.00 H new ATOM 0 HA ASN A 16 2.502 -21.058 -22.692 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.065 -19.025 -23.025 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.001 -18.129 -21.958 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.735 -19.193 -19.153 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.850 -17.934 -20.020 1.00 25.00 H new ATOM 256 N VAL A 17 1.208 -20.662 -20.495 1.00 25.00 N ATOM 257 CA VAL A 17 0.288 -20.567 -19.365 1.00 25.00 C ATOM 258 C VAL A 17 1.185 -20.345 -18.164 1.00 25.00 C ATOM 259 O VAL A 17 2.185 -21.027 -18.022 1.00 25.00 O ATOM 260 CB VAL A 17 -0.551 -21.869 -19.187 1.00 25.00 C ATOM 261 CG1 VAL A 17 -1.475 -21.764 -17.957 1.00 25.00 C ATOM 262 CG2 VAL A 17 -1.399 -22.134 -20.446 1.00 25.00 C ATOM 0 H VAL A 17 1.932 -21.372 -20.384 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.438 -19.767 -19.506 1.00 25.00 H new ATOM 0 HB VAL A 17 0.141 -22.697 -19.036 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -2.050 -22.684 -17.854 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -0.873 -21.610 -17.062 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -2.157 -20.923 -18.085 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -1.980 -23.046 -20.308 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -2.075 -21.295 -20.613 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -0.743 -22.249 -21.309 1.00 25.00 H new ATOM 272 N ALA A 18 0.858 -19.361 -17.342 1.00 25.00 N ATOM 273 CA ALA A 18 1.667 -19.044 -16.178 1.00 25.00 C ATOM 274 C ALA A 18 1.677 -20.221 -15.198 1.00 25.00 C ATOM 275 O ALA A 18 0.622 -20.633 -14.705 1.00 25.00 O ATOM 276 CB ALA A 18 1.113 -17.793 -15.497 1.00 25.00 C ATOM 0 H ALA A 18 0.037 -18.768 -17.460 1.00 25.00 H new ATOM 0 HA ALA A 18 2.692 -18.855 -16.497 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.720 -17.555 -14.624 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.139 -16.957 -16.196 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.084 -17.974 -15.185 1.00 25.00 H new ATOM 282 N GLU A 19 2.863 -20.730 -14.899 1.00 25.00 N ATOM 283 CA GLU A 19 3.025 -21.808 -13.923 1.00 25.00 C ATOM 284 C GLU A 19 3.346 -21.186 -12.570 1.00 25.00 C ATOM 285 O GLU A 19 3.258 -21.832 -11.525 1.00 25.00 O ATOM 286 CB GLU A 19 4.160 -22.753 -14.335 1.00 25.00 C ATOM 287 CG GLU A 19 3.887 -23.511 -15.631 1.00 25.00 C ATOM 288 CD GLU A 19 4.930 -24.595 -15.912 1.00 25.00 C ATOM 289 OE1 GLU A 19 5.432 -24.670 -17.057 1.00 25.00 O ATOM 290 OE2 GLU A 19 5.218 -25.403 -14.996 1.00 25.00 O ATOM 0 H GLU A 19 3.737 -20.413 -15.320 1.00 25.00 H new ATOM 0 HA GLU A 19 2.104 -22.388 -13.871 1.00 25.00 H new ATOM 0 HB2 GLU A 19 5.078 -22.176 -14.448 1.00 25.00 H new ATOM 0 HB3 GLU A 19 4.332 -23.471 -13.533 1.00 25.00 H new ATOM 0 HG2 GLU A 19 2.899 -23.968 -15.578 1.00 25.00 H new ATOM 0 HG3 GLU A 19 3.868 -22.806 -16.462 1.00 25.00 H new ATOM 297 N SER A 20 3.707 -19.911 -12.600 1.00 25.00 N ATOM 298 CA SER A 20 4.056 -19.171 -11.393 1.00 25.00 C ATOM 299 C SER A 20 3.141 -17.959 -11.248 1.00 25.00 C ATOM 300 O SER A 20 2.596 -17.465 -12.236 1.00 25.00 O ATOM 301 CB SER A 20 5.518 -18.732 -11.475 1.00 25.00 C ATOM 302 OG SER A 20 5.637 -17.320 -11.530 1.00 25.00 O ATOM 0 H SER A 20 3.766 -19.361 -13.457 1.00 25.00 H new ATOM 0 HA SER A 20 3.926 -19.809 -10.519 1.00 25.00 H new ATOM 0 HB2 SER A 20 6.061 -19.110 -10.609 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.981 -19.171 -12.358 1.00 25.00 H new ATOM 0 HG SER A 20 6.584 -17.073 -11.580 1.00 25.00 H new ATOM 308 N PRO A 21 2.951 -17.456 -10.012 1.00 25.00 N ATOM 309 CA PRO A 21 2.057 -16.299 -9.886 1.00 25.00 C ATOM 310 C PRO A 21 2.652 -14.997 -10.432 1.00 25.00 C ATOM 311 O PRO A 21 1.920 -14.062 -10.735 1.00 25.00 O ATOM 312 CB PRO A 21 1.840 -16.208 -8.375 1.00 25.00 C ATOM 313 CG PRO A 21 3.101 -16.728 -7.795 1.00 25.00 C ATOM 314 CD PRO A 21 3.477 -17.877 -8.696 1.00 25.00 C ATOM 0 HA PRO A 21 1.145 -16.428 -10.468 1.00 25.00 H new ATOM 0 HB2 PRO A 21 1.651 -15.182 -8.061 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.982 -16.801 -8.059 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.877 -15.963 -7.780 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.959 -17.059 -6.766 1.00 25.00 H new ATOM 0 HD2 PRO A 21 4.556 -18.032 -8.724 1.00 25.00 H new ATOM 0 HD3 PRO A 21 3.029 -18.813 -8.364 1.00 25.00 H new ATOM 322 N ASP A 22 3.973 -14.957 -10.560 1.00 25.00 N ATOM 323 CA ASP A 22 4.683 -13.781 -11.070 1.00 25.00 C ATOM 324 C ASP A 22 4.686 -13.781 -12.591 1.00 25.00 C ATOM 325 O ASP A 22 5.017 -12.794 -13.231 1.00 25.00 O ATOM 326 CB ASP A 22 6.144 -13.832 -10.603 1.00 25.00 C ATOM 327 CG ASP A 22 6.504 -12.697 -9.661 1.00 25.00 C ATOM 328 OD1 ASP A 22 7.295 -12.946 -8.725 1.00 25.00 O ATOM 329 OD2 ASP A 22 6.019 -11.564 -9.855 1.00 25.00 O ATOM 0 H ASP A 22 4.585 -15.735 -10.315 1.00 25.00 H new ATOM 0 HA ASP A 22 4.181 -12.888 -10.698 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.327 -14.783 -10.104 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.800 -13.797 -11.473 1.00 25.00 H new ATOM 334 N GLU A 23 4.369 -14.927 -13.171 1.00 25.00 N ATOM 335 CA GLU A 23 4.441 -15.115 -14.613 1.00 25.00 C ATOM 336 C GLU A 23 3.138 -14.686 -15.294 1.00 25.00 C ATOM 337 O GLU A 23 2.063 -14.719 -14.693 1.00 25.00 O ATOM 338 CB GLU A 23 4.741 -16.589 -14.894 1.00 25.00 C ATOM 339 CG GLU A 23 5.188 -16.888 -16.313 1.00 25.00 C ATOM 340 CD GLU A 23 5.453 -18.365 -16.527 1.00 25.00 C ATOM 341 OE1 GLU A 23 5.121 -19.174 -15.630 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.957 -18.722 -17.611 1.00 25.00 O ATOM 0 H GLU A 23 4.055 -15.751 -12.659 1.00 25.00 H new ATOM 0 HA GLU A 23 5.235 -14.490 -15.021 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.516 -16.925 -14.205 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.847 -17.175 -14.678 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.422 -16.552 -17.012 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.093 -16.322 -16.535 1.00 25.00 H new ATOM 349 N LEU A 24 3.227 -14.285 -16.553 1.00 25.00 N ATOM 350 CA LEU A 24 2.050 -13.890 -17.314 1.00 25.00 C ATOM 351 C LEU A 24 1.591 -14.997 -18.270 1.00 25.00 C ATOM 352 O LEU A 24 2.394 -15.580 -18.991 1.00 25.00 O ATOM 353 CB LEU A 24 2.373 -12.632 -18.119 1.00 25.00 C ATOM 354 CG LEU A 24 1.382 -11.473 -17.963 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.908 -10.258 -18.707 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.004 -11.847 -18.490 1.00 25.00 C ATOM 0 H LEU A 24 4.104 -14.224 -17.071 1.00 25.00 H new ATOM 0 HA LEU A 24 1.241 -13.699 -16.609 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.363 -12.281 -17.829 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.427 -12.901 -19.174 1.00 25.00 H new ATOM 0 HG LEU A 24 1.284 -11.246 -16.902 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.205 -9.432 -18.598 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.875 -9.969 -18.294 1.00 25.00 H new ATOM 0 HD13 LEU A 24 2.022 -10.500 -19.764 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.681 -11.002 -18.364 1.00 25.00 H new ATOM 0 HD22 LEU A 24 0.065 -12.102 -19.548 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.385 -12.704 -17.935 1.00 25.00 H new ATOM 368 N SER A 25 0.288 -15.231 -18.328 1.00 25.00 N ATOM 369 CA SER A 25 -0.287 -16.132 -19.328 1.00 25.00 C ATOM 370 C SER A 25 -0.521 -15.331 -20.608 1.00 25.00 C ATOM 371 O SER A 25 -1.401 -14.462 -20.652 1.00 25.00 O ATOM 372 CB SER A 25 -1.619 -16.708 -18.844 1.00 25.00 C ATOM 373 OG SER A 25 -1.440 -17.488 -17.674 1.00 25.00 O ATOM 0 H SER A 25 -0.395 -14.812 -17.697 1.00 25.00 H new ATOM 0 HA SER A 25 0.398 -16.961 -19.504 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.318 -15.897 -18.641 1.00 25.00 H new ATOM 0 HB3 SER A 25 -2.061 -17.321 -19.630 1.00 25.00 H new ATOM 0 HG SER A 25 -2.305 -17.844 -17.383 1.00 25.00 H new ATOM 379 N PHE A 26 0.266 -15.611 -21.636 1.00 25.00 N ATOM 380 CA PHE A 26 0.176 -14.909 -22.916 1.00 25.00 C ATOM 381 C PHE A 26 0.019 -15.937 -24.024 1.00 25.00 C ATOM 382 O PHE A 26 0.294 -17.109 -23.824 1.00 25.00 O ATOM 383 CB PHE A 26 1.434 -14.060 -23.153 1.00 25.00 C ATOM 384 CG PHE A 26 2.721 -14.847 -23.095 1.00 25.00 C ATOM 385 CD1 PHE A 26 3.235 -15.479 -24.244 1.00 25.00 C ATOM 386 CD2 PHE A 26 3.429 -14.956 -21.886 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.449 -16.213 -24.185 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.632 -15.696 -21.810 1.00 25.00 C ATOM 389 CZ PHE A 26 5.146 -16.320 -22.964 1.00 25.00 C ATOM 0 H PHE A 26 0.987 -16.332 -21.610 1.00 25.00 H new ATOM 0 HA PHE A 26 -0.685 -14.240 -22.907 1.00 25.00 H new ATOM 0 HB2 PHE A 26 1.357 -13.578 -24.128 1.00 25.00 H new ATOM 0 HB3 PHE A 26 1.471 -13.266 -22.407 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.700 -15.405 -25.179 1.00 25.00 H new ATOM 0 HD2 PHE A 26 3.049 -14.467 -21.001 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.838 -16.688 -25.073 1.00 25.00 H new ATOM 0 HE2 PHE A 26 5.156 -15.783 -20.869 1.00 25.00 H new ATOM 0 HZ PHE A 26 6.070 -16.878 -22.914 1.00 25.00 H new ATOM 399 N ARG A 27 -0.437 -15.515 -25.192 1.00 25.00 N ATOM 400 CA ARG A 27 -0.651 -16.449 -26.298 1.00 25.00 C ATOM 401 C ARG A 27 0.048 -15.981 -27.545 1.00 25.00 C ATOM 402 O ARG A 27 0.254 -14.799 -27.739 1.00 25.00 O ATOM 403 CB ARG A 27 -2.137 -16.606 -26.579 1.00 25.00 C ATOM 404 CG ARG A 27 -2.895 -17.279 -25.440 1.00 25.00 C ATOM 405 CD ARG A 27 -4.387 -17.287 -25.696 1.00 25.00 C ATOM 406 NE ARG A 27 -4.971 -15.942 -25.508 1.00 25.00 N ATOM 407 CZ ARG A 27 -5.338 -15.106 -26.477 1.00 25.00 C ATOM 408 NH1 ARG A 27 -5.244 -15.408 -27.749 1.00 25.00 N ATOM 409 NH2 ARG A 27 -5.809 -13.937 -26.155 1.00 25.00 N ATOM 0 H ARG A 27 -0.666 -14.544 -25.403 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.234 -17.412 -26.004 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.571 -15.624 -26.765 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.268 -17.190 -27.490 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.540 -18.302 -25.320 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -2.688 -16.758 -24.505 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.582 -17.632 -26.711 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.870 -17.993 -25.021 1.00 25.00 H new ATOM 0 HE ARG A 27 -5.105 -15.625 -24.548 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -4.877 -16.317 -28.032 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -5.538 -14.734 -28.456 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -5.892 -13.674 -25.173 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -6.095 -13.284 -26.884 1.00 25.00 H new ATOM 423 N LYS A 28 0.361 -16.920 -28.417 1.00 25.00 N ATOM 424 CA LYS A 28 0.963 -16.594 -29.708 1.00 25.00 C ATOM 425 C LYS A 28 0.003 -15.692 -30.473 1.00 25.00 C ATOM 426 O LYS A 28 -1.189 -15.973 -30.569 1.00 25.00 O ATOM 427 CB LYS A 28 1.306 -17.871 -30.499 1.00 25.00 C ATOM 428 CG LYS A 28 0.155 -18.882 -30.665 1.00 25.00 C ATOM 429 CD LYS A 28 0.707 -20.268 -30.990 1.00 25.00 C ATOM 430 CE LYS A 28 -0.367 -21.349 -30.829 1.00 25.00 C ATOM 431 NZ LYS A 28 0.243 -22.661 -30.396 1.00 25.00 N ATOM 0 H LYS A 28 0.211 -17.917 -28.261 1.00 25.00 H new ATOM 0 HA LYS A 28 1.904 -16.066 -29.556 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.656 -17.580 -31.490 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.137 -18.372 -30.002 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.435 -18.924 -29.750 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.514 -18.554 -31.461 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.087 -20.280 -32.012 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.549 -20.489 -30.334 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -1.104 -21.027 -30.094 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -0.896 -21.484 -31.773 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -0.481 -23.243 -29.928 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 0.607 -23.166 -31.229 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 1.023 -22.479 -29.733 1.00 25.00 H new ATOM 445 N GLY A 29 0.527 -14.578 -30.956 1.00 25.00 N ATOM 446 CA GLY A 29 -0.277 -13.596 -31.664 1.00 25.00 C ATOM 447 C GLY A 29 -0.814 -12.477 -30.788 1.00 25.00 C ATOM 448 O GLY A 29 -1.266 -11.468 -31.313 1.00 25.00 O ATOM 0 H GLY A 29 1.513 -14.330 -30.870 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.323 -13.160 -32.462 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.116 -14.105 -32.138 1.00 25.00 H new ATOM 452 N ASP A 30 -0.761 -12.639 -29.474 1.00 25.00 N ATOM 453 CA ASP A 30 -1.274 -11.624 -28.547 1.00 25.00 C ATOM 454 C ASP A 30 -0.272 -10.472 -28.430 1.00 25.00 C ATOM 455 O ASP A 30 0.922 -10.650 -28.703 1.00 25.00 O ATOM 456 CB ASP A 30 -1.518 -12.258 -27.172 1.00 25.00 C ATOM 457 CG ASP A 30 -2.718 -11.675 -26.460 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.279 -12.385 -25.594 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.139 -10.551 -26.793 1.00 25.00 O ATOM 0 H ASP A 30 -0.368 -13.463 -29.019 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.217 -11.230 -28.928 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.660 -13.332 -27.293 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.632 -12.121 -26.552 1.00 25.00 H new ATOM 464 N ILE A 31 -0.754 -9.300 -28.039 1.00 25.00 N ATOM 465 CA ILE A 31 0.076 -8.087 -27.950 1.00 25.00 C ATOM 466 C ILE A 31 0.076 -7.600 -26.504 1.00 25.00 C ATOM 467 O ILE A 31 -0.975 -7.456 -25.904 1.00 25.00 O ATOM 468 CB ILE A 31 -0.482 -6.934 -28.851 1.00 25.00 C ATOM 469 CG1 ILE A 31 -0.756 -7.415 -30.297 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.489 -5.711 -28.854 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.461 -7.921 -31.078 1.00 25.00 C ATOM 0 H ILE A 31 -1.728 -9.154 -27.773 1.00 25.00 H new ATOM 0 HA ILE A 31 1.080 -8.340 -28.290 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.434 -6.621 -28.423 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.496 -8.214 -30.259 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.204 -6.592 -30.854 1.00 25.00 H new ATOM 0 HG21 ILE A 31 0.080 -4.923 -29.487 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.605 -5.336 -27.837 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.461 -6.019 -29.240 1.00 25.00 H new ATOM 0 HD11 ILE A 31 0.150 -8.231 -32.076 1.00 25.00 H new ATOM 0 HD12 ILE A 31 1.199 -7.123 -31.159 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.901 -8.770 -30.555 1.00 25.00 H new ATOM 483 N MET A 32 1.253 -7.325 -25.963 1.00 25.00 N ATOM 484 CA MET A 32 1.379 -6.842 -24.584 1.00 25.00 C ATOM 485 C MET A 32 2.357 -5.689 -24.538 1.00 25.00 C ATOM 486 O MET A 32 3.162 -5.523 -25.451 1.00 25.00 O ATOM 487 CB MET A 32 1.841 -7.967 -23.664 1.00 25.00 C ATOM 488 CG MET A 32 3.175 -8.595 -24.052 1.00 25.00 C ATOM 489 SD MET A 32 3.094 -10.378 -23.873 1.00 25.00 S ATOM 490 CE MET A 32 2.104 -10.810 -25.332 1.00 25.00 C ATOM 0 H MET A 32 2.141 -7.426 -26.455 1.00 25.00 H new ATOM 0 HA MET A 32 0.404 -6.498 -24.238 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.918 -7.580 -22.648 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.078 -8.745 -23.651 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.422 -8.336 -25.082 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.970 -8.195 -23.424 1.00 25.00 H new ATOM 0 HE1 MET A 32 1.767 -11.843 -25.250 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.239 -10.150 -25.393 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.711 -10.697 -26.230 1.00 25.00 H new ATOM 500 N THR A 33 2.299 -4.890 -23.483 1.00 25.00 N ATOM 501 CA THR A 33 3.189 -3.738 -23.345 1.00 25.00 C ATOM 502 C THR A 33 4.314 -4.069 -22.380 1.00 25.00 C ATOM 503 O THR A 33 4.060 -4.508 -21.265 1.00 25.00 O ATOM 504 CB THR A 33 2.423 -2.504 -22.830 1.00 25.00 C ATOM 505 OG1 THR A 33 1.293 -2.268 -23.674 1.00 25.00 O ATOM 506 CG2 THR A 33 3.288 -1.258 -22.852 1.00 25.00 C ATOM 0 H THR A 33 1.647 -5.015 -22.709 1.00 25.00 H new ATOM 0 HA THR A 33 3.599 -3.508 -24.328 1.00 25.00 H new ATOM 0 HB THR A 33 2.120 -2.707 -21.803 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.801 -1.485 -23.350 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.713 -0.409 -22.482 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.161 -1.410 -22.217 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.613 -1.059 -23.873 1.00 25.00 H new ATOM 514 N VAL A 34 5.550 -3.862 -22.811 1.00 25.00 N ATOM 515 CA VAL A 34 6.724 -4.097 -21.975 1.00 25.00 C ATOM 516 C VAL A 34 6.961 -2.844 -21.137 1.00 25.00 C ATOM 517 O VAL A 34 7.068 -1.728 -21.662 1.00 25.00 O ATOM 518 CB VAL A 34 7.995 -4.395 -22.838 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.242 -4.534 -21.954 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.805 -5.688 -23.655 1.00 25.00 C ATOM 0 H VAL A 34 5.770 -3.527 -23.749 1.00 25.00 H new ATOM 0 HA VAL A 34 6.544 -4.967 -21.343 1.00 25.00 H new ATOM 0 HB VAL A 34 8.135 -3.554 -23.517 1.00 25.00 H new ATOM 0 HG11 VAL A 34 10.110 -4.741 -22.580 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.403 -3.607 -21.404 1.00 25.00 H new ATOM 0 HG13 VAL A 34 9.099 -5.353 -21.249 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.699 -5.878 -24.248 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.634 -6.525 -22.978 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.947 -5.577 -24.318 1.00 25.00 H new ATOM 530 N LEU A 35 7.031 -3.035 -19.831 1.00 25.00 N ATOM 531 CA LEU A 35 7.279 -1.949 -18.895 1.00 25.00 C ATOM 532 C LEU A 35 8.758 -1.871 -18.561 1.00 25.00 C ATOM 533 O LEU A 35 9.317 -0.783 -18.463 1.00 25.00 O ATOM 534 CB LEU A 35 6.497 -2.192 -17.597 1.00 25.00 C ATOM 535 CG LEU A 35 4.966 -2.176 -17.698 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.374 -2.527 -16.339 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.437 -0.809 -18.155 1.00 25.00 C ATOM 0 H LEU A 35 6.918 -3.947 -19.388 1.00 25.00 H new ATOM 0 HA LEU A 35 6.957 -1.016 -19.357 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.801 -3.158 -17.193 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.798 -1.435 -16.873 1.00 25.00 H new ATOM 0 HG LEU A 35 4.667 -2.911 -18.445 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.286 -2.518 -16.403 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.712 -3.520 -16.040 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.700 -1.795 -15.600 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.349 -0.841 -18.213 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.740 -0.044 -17.440 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.846 -0.570 -19.137 1.00 25.00 H new ATOM 549 N GLU A 36 9.375 -3.029 -18.366 1.00 25.00 N ATOM 550 CA GLU A 36 10.762 -3.110 -17.906 1.00 25.00 C ATOM 551 C GLU A 36 11.421 -4.359 -18.500 1.00 25.00 C ATOM 552 O GLU A 36 10.725 -5.243 -18.996 1.00 25.00 O ATOM 553 CB GLU A 36 10.761 -3.182 -16.375 1.00 25.00 C ATOM 554 CG GLU A 36 12.074 -2.814 -15.716 1.00 25.00 C ATOM 555 CD GLU A 36 11.942 -2.779 -14.210 1.00 25.00 C ATOM 556 OE1 GLU A 36 11.632 -3.835 -13.620 1.00 25.00 O ATOM 557 OE2 GLU A 36 12.084 -1.686 -13.624 1.00 25.00 O ATOM 0 H GLU A 36 8.934 -3.936 -18.520 1.00 25.00 H new ATOM 0 HA GLU A 36 11.325 -2.234 -18.228 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.983 -2.519 -15.996 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.492 -4.194 -16.074 1.00 25.00 H new ATOM 0 HG2 GLU A 36 12.840 -3.535 -15.999 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.404 -1.840 -16.077 1.00 25.00 H new ATOM 564 N ARG A 37 12.746 -4.434 -18.463 1.00 25.00 N ATOM 565 CA ARG A 37 13.493 -5.586 -18.980 1.00 25.00 C ATOM 566 C ARG A 37 14.544 -5.917 -17.943 1.00 25.00 C ATOM 567 O ARG A 37 14.951 -5.022 -17.219 1.00 25.00 O ATOM 568 CB ARG A 37 14.177 -5.246 -20.304 1.00 25.00 C ATOM 569 CG ARG A 37 13.218 -4.815 -21.398 1.00 25.00 C ATOM 570 CD ARG A 37 13.946 -4.696 -22.717 1.00 25.00 C ATOM 571 NE ARG A 37 13.084 -4.116 -23.758 1.00 25.00 N ATOM 572 CZ ARG A 37 13.438 -3.928 -25.023 1.00 25.00 C ATOM 573 NH1 ARG A 37 14.617 -4.274 -25.479 1.00 25.00 N ATOM 574 NH2 ARG A 37 12.591 -3.370 -25.841 1.00 25.00 N ATOM 0 H ARG A 37 13.338 -3.700 -18.074 1.00 25.00 H new ATOM 0 HA ARG A 37 12.821 -6.424 -19.162 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.901 -4.449 -20.134 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.736 -6.116 -20.647 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.407 -5.538 -21.486 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.765 -3.859 -21.138 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.833 -4.075 -22.590 1.00 25.00 H new ATOM 0 HD3 ARG A 37 14.289 -5.681 -23.034 1.00 25.00 H new ATOM 0 HE ARG A 37 12.141 -3.837 -23.487 1.00 25.00 H new ATOM 0 HH11 ARG A 37 15.299 -4.704 -24.855 1.00 25.00 H new ATOM 0 HH12 ARG A 37 14.852 -4.113 -26.458 1.00 25.00 H new ATOM 0 HH21 ARG A 37 11.671 -3.085 -25.506 1.00 25.00 H new ATOM 0 HH22 ARG A 37 12.848 -3.219 -26.816 1.00 25.00 H new ATOM 588 N ASP A 38 14.945 -7.184 -17.873 1.00 25.00 N ATOM 589 CA ASP A 38 15.913 -7.680 -16.874 1.00 25.00 C ATOM 590 C ASP A 38 15.332 -7.410 -15.479 1.00 25.00 C ATOM 591 O ASP A 38 16.019 -7.086 -14.518 1.00 25.00 O ATOM 592 CB ASP A 38 17.296 -7.044 -17.075 1.00 25.00 C ATOM 593 CG ASP A 38 18.409 -7.852 -16.433 1.00 25.00 C ATOM 594 OD1 ASP A 38 19.591 -7.539 -16.688 1.00 25.00 O ATOM 595 OD2 ASP A 38 18.107 -8.836 -15.732 1.00 25.00 O ATOM 0 H ASP A 38 14.610 -7.908 -18.509 1.00 25.00 H new ATOM 0 HA ASP A 38 16.067 -8.753 -16.991 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.494 -6.944 -18.142 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.294 -6.038 -16.655 1.00 25.00 H new ATOM 600 N THR A 39 14.013 -7.520 -15.418 1.00 25.00 N ATOM 601 CA THR A 39 13.228 -7.156 -14.236 1.00 25.00 C ATOM 602 C THR A 39 13.433 -8.130 -13.069 1.00 25.00 C ATOM 603 O THR A 39 13.121 -7.826 -11.925 1.00 25.00 O ATOM 604 CB THR A 39 11.719 -7.102 -14.635 1.00 25.00 C ATOM 605 OG1 THR A 39 10.941 -6.508 -13.595 1.00 25.00 O ATOM 606 CG2 THR A 39 11.159 -8.502 -14.933 1.00 25.00 C ATOM 0 H THR A 39 13.447 -7.867 -16.192 1.00 25.00 H new ATOM 0 HA THR A 39 13.569 -6.180 -13.889 1.00 25.00 H new ATOM 0 HB THR A 39 11.654 -6.496 -15.539 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.174 -5.560 -13.513 1.00 25.00 H new ATOM 0 HG21 THR A 39 10.107 -8.422 -15.207 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.716 -8.949 -15.757 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.257 -9.129 -14.047 1.00 25.00 H new ATOM 614 N GLN A 40 13.980 -9.301 -13.371 1.00 25.00 N ATOM 615 CA GLN A 40 14.169 -10.347 -12.368 1.00 25.00 C ATOM 616 C GLN A 40 15.645 -10.612 -12.088 1.00 25.00 C ATOM 617 O GLN A 40 15.990 -11.589 -11.429 1.00 25.00 O ATOM 618 CB GLN A 40 13.497 -11.639 -12.861 1.00 25.00 C ATOM 619 CG GLN A 40 12.753 -12.419 -11.767 1.00 25.00 C ATOM 620 CD GLN A 40 11.480 -11.725 -11.302 1.00 25.00 C ATOM 621 OE1 GLN A 40 11.012 -10.792 -11.923 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.912 -12.200 -10.224 1.00 25.00 N ATOM 0 H GLN A 40 14.302 -9.553 -14.305 1.00 25.00 H new ATOM 0 HA GLN A 40 13.715 -10.009 -11.436 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.794 -11.389 -13.655 1.00 25.00 H new ATOM 0 HB3 GLN A 40 14.257 -12.286 -13.300 1.00 25.00 H new ATOM 0 HG2 GLN A 40 12.503 -13.411 -12.142 1.00 25.00 H new ATOM 0 HG3 GLN A 40 13.416 -12.559 -10.913 1.00 25.00 H new ATOM 0 HE21 GLN A 40 11.335 -12.985 -9.729 1.00 25.00 H new ATOM 0 HE22 GLN A 40 10.046 -11.785 -9.879 1.00 25.00 H new ATOM 631 N GLY A 41 16.519 -9.780 -12.640 1.00 25.00 N ATOM 632 CA GLY A 41 17.950 -10.030 -12.528 1.00 25.00 C ATOM 633 C GLY A 41 18.343 -11.146 -13.478 1.00 25.00 C ATOM 634 O GLY A 41 19.369 -11.808 -13.318 1.00 25.00 O ATOM 0 H GLY A 41 16.268 -8.940 -13.161 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.508 -9.124 -12.763 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.203 -10.303 -11.504 1.00 25.00 H new ATOM 638 N LEU A 42 17.480 -11.365 -14.460 1.00 25.00 N ATOM 639 CA LEU A 42 17.677 -12.368 -15.490 1.00 25.00 C ATOM 640 C LEU A 42 17.450 -11.682 -16.826 1.00 25.00 C ATOM 641 O LEU A 42 16.319 -11.275 -17.141 1.00 25.00 O ATOM 642 CB LEU A 42 16.662 -13.510 -15.336 1.00 25.00 C ATOM 643 CG LEU A 42 16.709 -14.337 -14.042 1.00 25.00 C ATOM 644 CD1 LEU A 42 15.505 -15.285 -14.012 1.00 25.00 C ATOM 645 CD2 LEU A 42 18.005 -15.142 -13.931 1.00 25.00 C ATOM 0 H LEU A 42 16.611 -10.841 -14.563 1.00 25.00 H new ATOM 0 HA LEU A 42 18.679 -12.791 -15.416 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.662 -13.085 -15.426 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.795 -14.193 -16.175 1.00 25.00 H new ATOM 0 HG LEU A 42 16.674 -13.652 -13.195 1.00 25.00 H new ATOM 0 HD11 LEU A 42 15.530 -15.876 -13.097 1.00 25.00 H new ATOM 0 HD12 LEU A 42 14.583 -14.704 -14.043 1.00 25.00 H new ATOM 0 HD13 LEU A 42 15.544 -15.950 -14.875 1.00 25.00 H new ATOM 0 HD21 LEU A 42 18.000 -15.713 -13.003 1.00 25.00 H new ATOM 0 HD22 LEU A 42 18.083 -15.825 -14.777 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.857 -14.462 -13.934 1.00 25.00 H new ATOM 657 N ASP A 43 18.491 -11.584 -17.638 1.00 25.00 N ATOM 658 CA ASP A 43 18.334 -11.027 -18.970 1.00 25.00 C ATOM 659 C ASP A 43 17.446 -11.987 -19.742 1.00 25.00 C ATOM 660 O ASP A 43 17.400 -13.191 -19.475 1.00 25.00 O ATOM 661 CB ASP A 43 19.670 -10.846 -19.694 1.00 25.00 C ATOM 662 CG ASP A 43 19.510 -10.117 -21.035 1.00 25.00 C ATOM 663 OD1 ASP A 43 20.346 -10.333 -21.935 1.00 25.00 O ATOM 664 OD2 ASP A 43 18.503 -9.374 -21.212 1.00 25.00 O ATOM 0 H ASP A 43 19.439 -11.878 -17.403 1.00 25.00 H new ATOM 0 HA ASP A 43 17.895 -10.032 -18.899 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.353 -10.285 -19.057 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.123 -11.822 -19.865 1.00 25.00 H new ATOM 669 N GLY A 44 16.700 -11.435 -20.674 1.00 25.00 N ATOM 670 CA GLY A 44 15.765 -12.222 -21.442 1.00 25.00 C ATOM 671 C GLY A 44 14.388 -12.240 -20.821 1.00 25.00 C ATOM 672 O GLY A 44 13.454 -12.635 -21.490 1.00 25.00 O ATOM 0 H GLY A 44 16.724 -10.445 -20.917 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.700 -11.821 -22.453 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.136 -13.243 -21.527 1.00 25.00 H new ATOM 676 N TRP A 45 14.231 -11.791 -19.581 1.00 25.00 N ATOM 677 CA TRP A 45 12.902 -11.709 -18.959 1.00 25.00 C ATOM 678 C TRP A 45 12.443 -10.260 -18.881 1.00 25.00 C ATOM 679 O TRP A 45 13.185 -9.388 -18.427 1.00 25.00 O ATOM 680 CB TRP A 45 12.927 -12.333 -17.569 1.00 25.00 C ATOM 681 CG TRP A 45 13.008 -13.820 -17.648 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.126 -14.583 -17.711 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.907 -14.747 -17.698 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.825 -15.912 -17.786 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.464 -16.058 -17.787 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.504 -14.607 -17.677 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.663 -17.217 -17.848 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.693 -15.770 -17.732 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.286 -17.064 -17.819 1.00 25.00 C ATOM 0 H TRP A 45 14.998 -11.479 -18.985 1.00 25.00 H new ATOM 0 HA TRP A 45 12.195 -12.265 -19.576 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.780 -11.949 -17.010 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.030 -12.043 -17.021 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.131 -14.188 -17.703 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.503 -16.672 -17.834 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.053 -13.627 -17.620 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.111 -18.198 -17.916 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.618 -15.674 -17.708 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.653 -17.938 -17.863 1.00 25.00 H new ATOM 700 N TRP A 46 11.241 -9.987 -19.370 1.00 25.00 N ATOM 701 CA TRP A 46 10.716 -8.628 -19.423 1.00 25.00 C ATOM 702 C TRP A 46 9.406 -8.552 -18.653 1.00 25.00 C ATOM 703 O TRP A 46 8.600 -9.476 -18.705 1.00 25.00 O ATOM 704 CB TRP A 46 10.479 -8.210 -20.880 1.00 25.00 C ATOM 705 CG TRP A 46 11.714 -8.275 -21.779 1.00 25.00 C ATOM 706 CD1 TRP A 46 13.015 -8.442 -21.412 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.742 -8.181 -23.216 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.847 -8.474 -22.489 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.104 -8.321 -23.623 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.753 -8.011 -24.204 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.491 -8.300 -24.978 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.136 -7.998 -25.567 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.507 -8.144 -25.938 1.00 25.00 C ATOM 0 H TRP A 46 10.606 -10.695 -19.739 1.00 25.00 H new ATOM 0 HA TRP A 46 11.442 -7.952 -18.972 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.705 -8.849 -21.304 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.093 -7.191 -20.892 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.347 -8.538 -20.389 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.859 -8.593 -22.454 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.716 -7.892 -23.926 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.529 -8.403 -25.260 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.384 -7.877 -26.333 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.780 -8.132 -26.983 1.00 25.00 H new ATOM 724 N LEU A 47 9.187 -7.448 -17.955 1.00 25.00 N ATOM 725 CA LEU A 47 7.940 -7.237 -17.228 1.00 25.00 C ATOM 726 C LEU A 47 6.936 -6.688 -18.220 1.00 25.00 C ATOM 727 O LEU A 47 7.163 -5.627 -18.803 1.00 25.00 O ATOM 728 CB LEU A 47 8.139 -6.223 -16.096 1.00 25.00 C ATOM 729 CG LEU A 47 6.905 -5.920 -15.229 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.451 -7.152 -14.444 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.240 -4.785 -14.266 1.00 25.00 C ATOM 0 H LEU A 47 9.856 -6.682 -17.875 1.00 25.00 H new ATOM 0 HA LEU A 47 7.598 -8.173 -16.787 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.933 -6.588 -15.445 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.489 -5.287 -16.532 1.00 25.00 H new ATOM 0 HG LEU A 47 6.085 -5.628 -15.885 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.577 -6.899 -13.843 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.195 -7.952 -15.139 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.257 -7.484 -13.790 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.370 -4.564 -13.648 1.00 25.00 H new ATOM 0 HD22 LEU A 47 8.072 -5.083 -13.628 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.517 -3.896 -14.833 1.00 25.00 H new ATOM 743 N CYS A 48 5.845 -7.402 -18.435 1.00 25.00 N ATOM 744 CA CYS A 48 4.825 -6.971 -19.379 1.00 25.00 C ATOM 745 C CYS A 48 3.465 -6.860 -18.707 1.00 25.00 C ATOM 746 O CYS A 48 3.262 -7.402 -17.627 1.00 25.00 O ATOM 747 CB CYS A 48 4.745 -7.966 -20.531 1.00 25.00 C ATOM 748 SG CYS A 48 6.338 -8.234 -21.334 1.00 25.00 S ATOM 0 H CYS A 48 5.641 -8.286 -17.968 1.00 25.00 H new ATOM 0 HA CYS A 48 5.101 -5.986 -19.755 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.367 -8.918 -20.158 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.028 -7.605 -21.268 1.00 25.00 H new ATOM 0 HG CYS A 48 7.190 -8.694 -20.466 1.00 25.00 H new ATOM 754 N SER A 49 2.530 -6.189 -19.365 1.00 25.00 N ATOM 755 CA SER A 49 1.153 -6.085 -18.883 1.00 25.00 C ATOM 756 C SER A 49 0.181 -6.637 -19.931 1.00 25.00 C ATOM 757 O SER A 49 0.205 -6.231 -21.100 1.00 25.00 O ATOM 758 CB SER A 49 0.825 -4.629 -18.555 1.00 25.00 C ATOM 759 OG SER A 49 1.102 -3.780 -19.658 1.00 25.00 O ATOM 0 H SER A 49 2.700 -5.702 -20.245 1.00 25.00 H new ATOM 0 HA SER A 49 1.048 -6.678 -17.975 1.00 25.00 H new ATOM 0 HB2 SER A 49 -0.227 -4.543 -18.282 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.406 -4.308 -17.691 1.00 25.00 H new ATOM 0 HG SER A 49 0.963 -4.273 -20.493 1.00 25.00 H new ATOM 765 N LEU A 50 -0.627 -7.606 -19.511 1.00 25.00 N ATOM 766 CA LEU A 50 -1.612 -8.278 -20.368 1.00 25.00 C ATOM 767 C LEU A 50 -2.599 -8.963 -19.422 1.00 25.00 C ATOM 768 O LEU A 50 -2.279 -9.149 -18.262 1.00 25.00 O ATOM 769 CB LEU A 50 -0.912 -9.334 -21.247 1.00 25.00 C ATOM 770 CG LEU A 50 -1.748 -10.114 -22.282 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.308 -9.189 -23.349 1.00 25.00 C ATOM 772 CD2 LEU A 50 -0.898 -11.190 -22.918 1.00 25.00 C ATOM 0 H LEU A 50 -0.620 -7.955 -18.553 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.113 -7.572 -21.030 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.106 -8.834 -21.784 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.448 -10.062 -20.581 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.590 -10.575 -21.765 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.892 -9.769 -24.063 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.947 -8.439 -22.882 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.488 -8.694 -23.868 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.492 -11.739 -23.649 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.043 -10.732 -23.416 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -0.544 -11.876 -22.149 1.00 25.00 H new ATOM 784 N HIS A 51 -3.760 -9.382 -19.917 1.00 25.00 N ATOM 785 CA HIS A 51 -4.684 -10.239 -19.154 1.00 25.00 C ATOM 786 C HIS A 51 -5.194 -9.626 -17.836 1.00 25.00 C ATOM 787 O HIS A 51 -5.685 -10.335 -16.966 1.00 25.00 O ATOM 788 CB HIS A 51 -3.987 -11.584 -18.862 1.00 25.00 C ATOM 789 CG HIS A 51 -4.863 -12.779 -19.060 1.00 25.00 C ATOM 790 ND1 HIS A 51 -4.514 -13.869 -19.818 1.00 25.00 N ATOM 791 CD2 HIS A 51 -6.099 -13.070 -18.569 1.00 25.00 C ATOM 792 CE1 HIS A 51 -5.512 -14.745 -19.770 1.00 25.00 C ATOM 793 NE2 HIS A 51 -6.509 -14.309 -19.026 1.00 25.00 N ATOM 0 H HIS A 51 -4.092 -9.143 -20.851 1.00 25.00 H new ATOM 0 HA HIS A 51 -5.569 -10.367 -19.777 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -3.113 -11.676 -19.507 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -3.625 -11.578 -17.834 1.00 25.00 H new ATOM 0 HD1 HIS A 51 -3.639 -13.986 -20.330 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -6.674 -12.428 -17.919 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -5.507 -15.698 -20.278 1.00 25.00 H new ATOM 801 N GLY A 52 -5.066 -8.313 -17.690 1.00 25.00 N ATOM 802 CA GLY A 52 -5.499 -7.650 -16.468 1.00 25.00 C ATOM 803 C GLY A 52 -4.483 -7.745 -15.341 1.00 25.00 C ATOM 804 O GLY A 52 -4.802 -7.448 -14.196 1.00 25.00 O ATOM 0 H GLY A 52 -4.670 -7.692 -18.395 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -5.696 -6.600 -16.683 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.440 -8.090 -16.138 1.00 25.00 H new ATOM 808 N ARG A 53 -3.259 -8.147 -15.661 1.00 25.00 N ATOM 809 CA ARG A 53 -2.183 -8.261 -14.673 1.00 25.00 C ATOM 810 C ARG A 53 -0.882 -7.766 -15.279 1.00 25.00 C ATOM 811 O ARG A 53 -0.766 -7.626 -16.497 1.00 25.00 O ATOM 812 CB ARG A 53 -2.008 -9.723 -14.205 1.00 25.00 C ATOM 813 CG ARG A 53 -1.421 -10.677 -15.269 1.00 25.00 C ATOM 814 CD ARG A 53 -0.878 -11.972 -14.653 1.00 25.00 C ATOM 815 NE ARG A 53 -1.947 -12.879 -14.203 1.00 25.00 N ATOM 816 CZ ARG A 53 -1.754 -14.083 -13.673 1.00 25.00 C ATOM 817 NH1 ARG A 53 -0.564 -14.602 -13.500 1.00 25.00 N ATOM 818 NH2 ARG A 53 -2.791 -14.789 -13.315 1.00 25.00 N ATOM 0 H ARG A 53 -2.981 -8.403 -16.608 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.448 -7.652 -13.808 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -1.359 -9.734 -13.329 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -2.978 -10.107 -13.888 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -2.192 -10.920 -16.000 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -0.620 -10.169 -15.807 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -0.256 -12.486 -15.386 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -0.236 -11.726 -13.807 1.00 25.00 H new ATOM 0 HE ARG A 53 -2.910 -12.559 -14.306 1.00 25.00 H new ATOM 0 HH11 ARG A 53 0.266 -14.078 -13.777 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -0.467 -15.530 -13.089 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -3.731 -14.415 -13.443 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -2.661 -15.715 -12.907 1.00 25.00 H new ATOM 832 N GLN A 54 0.116 -7.570 -14.441 1.00 25.00 N ATOM 833 CA GLN A 54 1.479 -7.430 -14.924 1.00 25.00 C ATOM 834 C GLN A 54 2.127 -8.750 -14.551 1.00 25.00 C ATOM 835 O GLN A 54 1.663 -9.416 -13.630 1.00 25.00 O ATOM 836 CB GLN A 54 2.202 -6.258 -14.265 1.00 25.00 C ATOM 837 CG GLN A 54 1.648 -4.907 -14.672 1.00 25.00 C ATOM 838 CD GLN A 54 1.130 -4.122 -13.494 1.00 25.00 C ATOM 839 OE1 GLN A 54 0.032 -4.351 -13.023 1.00 25.00 O ATOM 840 NE2 GLN A 54 1.913 -3.188 -13.020 1.00 25.00 N ATOM 0 H GLN A 54 0.013 -7.504 -13.428 1.00 25.00 H new ATOM 0 HA GLN A 54 1.519 -7.220 -15.993 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.133 -6.360 -13.182 1.00 25.00 H new ATOM 0 HB3 GLN A 54 3.260 -6.302 -14.522 1.00 25.00 H new ATOM 0 HG2 GLN A 54 2.428 -4.333 -15.173 1.00 25.00 H new ATOM 0 HG3 GLN A 54 0.843 -5.049 -15.393 1.00 25.00 H new ATOM 0 HE21 GLN A 54 2.827 -3.026 -13.442 1.00 25.00 H new ATOM 0 HE22 GLN A 54 1.610 -2.621 -12.228 1.00 25.00 H new ATOM 849 N GLY A 55 3.164 -9.139 -15.269 1.00 25.00 N ATOM 850 CA GLY A 55 3.851 -10.380 -14.971 1.00 25.00 C ATOM 851 C GLY A 55 5.067 -10.524 -15.851 1.00 25.00 C ATOM 852 O GLY A 55 5.202 -9.803 -16.851 1.00 25.00 O ATOM 0 H GLY A 55 3.547 -8.617 -16.057 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.147 -10.398 -13.922 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.178 -11.223 -15.126 1.00 25.00 H new ATOM 856 N ILE A 56 5.966 -11.418 -15.482 1.00 25.00 N ATOM 857 CA ILE A 56 7.187 -11.620 -16.243 1.00 25.00 C ATOM 858 C ILE A 56 6.902 -12.485 -17.465 1.00 25.00 C ATOM 859 O ILE A 56 6.070 -13.400 -17.438 1.00 25.00 O ATOM 860 CB ILE A 56 8.337 -12.214 -15.366 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.035 -13.662 -14.918 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.559 -11.305 -14.141 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.195 -14.354 -14.180 1.00 25.00 C ATOM 0 H ILE A 56 5.875 -12.016 -14.661 1.00 25.00 H new ATOM 0 HA ILE A 56 7.539 -10.646 -16.584 1.00 25.00 H new ATOM 0 HB ILE A 56 9.244 -12.252 -15.969 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.160 -13.653 -14.268 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.774 -14.254 -15.795 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.360 -11.714 -13.525 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.833 -10.304 -14.475 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.641 -11.253 -13.555 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.898 -15.365 -13.902 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.067 -14.399 -14.833 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.443 -13.789 -13.282 1.00 25.00 H new ATOM 875 N VAL A 57 7.562 -12.135 -18.555 1.00 25.00 N ATOM 876 CA VAL A 57 7.397 -12.809 -19.834 1.00 25.00 C ATOM 877 C VAL A 57 8.781 -12.979 -20.439 1.00 25.00 C ATOM 878 O VAL A 57 9.560 -12.019 -20.472 1.00 25.00 O ATOM 879 CB VAL A 57 6.547 -11.935 -20.807 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.445 -12.581 -22.183 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.155 -11.705 -20.241 1.00 25.00 C ATOM 0 H VAL A 57 8.234 -11.368 -18.579 1.00 25.00 H new ATOM 0 HA VAL A 57 6.895 -13.765 -19.684 1.00 25.00 H new ATOM 0 HB VAL A 57 7.052 -10.975 -20.914 1.00 25.00 H new ATOM 0 HG11 VAL A 57 5.847 -11.948 -22.839 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.443 -12.699 -22.605 1.00 25.00 H new ATOM 0 HG13 VAL A 57 5.972 -13.559 -22.092 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.577 -11.093 -20.934 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.656 -12.664 -20.101 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.232 -11.192 -19.282 1.00 25.00 H new ATOM 891 N PRO A 58 9.114 -14.179 -20.941 1.00 25.00 N ATOM 892 CA PRO A 58 10.422 -14.213 -21.599 1.00 25.00 C ATOM 893 C PRO A 58 10.403 -13.424 -22.918 1.00 25.00 C ATOM 894 O PRO A 58 9.637 -13.713 -23.837 1.00 25.00 O ATOM 895 CB PRO A 58 10.659 -15.708 -21.813 1.00 25.00 C ATOM 896 CG PRO A 58 9.294 -16.280 -21.936 1.00 25.00 C ATOM 897 CD PRO A 58 8.429 -15.484 -21.006 1.00 25.00 C ATOM 0 HA PRO A 58 11.217 -13.745 -21.018 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.250 -15.893 -22.710 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.202 -16.149 -20.977 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.932 -16.210 -22.962 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.288 -17.336 -21.667 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.412 -15.386 -21.387 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.358 -15.951 -20.024 1.00 25.00 H new ATOM 905 N GLY A 59 11.271 -12.431 -23.007 1.00 25.00 N ATOM 906 CA GLY A 59 11.381 -11.586 -24.181 1.00 25.00 C ATOM 907 C GLY A 59 11.898 -12.342 -25.378 1.00 25.00 C ATOM 908 O GLY A 59 11.668 -11.953 -26.511 1.00 25.00 O ATOM 0 H GLY A 59 11.923 -12.188 -22.261 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.404 -11.162 -24.415 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.047 -10.751 -23.965 1.00 25.00 H new ATOM 912 N ASN A 60 12.529 -13.482 -25.129 1.00 25.00 N ATOM 913 CA ASN A 60 12.985 -14.363 -26.207 1.00 25.00 C ATOM 914 C ASN A 60 11.798 -15.030 -26.927 1.00 25.00 C ATOM 915 O ASN A 60 11.969 -15.716 -27.927 1.00 25.00 O ATOM 916 CB ASN A 60 13.925 -15.433 -25.646 1.00 25.00 C ATOM 917 CG ASN A 60 14.703 -16.142 -26.729 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.269 -15.517 -27.605 1.00 25.00 O ATOM 919 ND2 ASN A 60 14.749 -17.445 -26.662 1.00 25.00 N ATOM 0 H ASN A 60 12.739 -13.822 -24.191 1.00 25.00 H new ATOM 0 HA ASN A 60 13.521 -13.754 -26.935 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.621 -14.970 -24.946 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.344 -16.163 -25.082 1.00 25.00 H new ATOM 0 HD21 ASN A 60 15.273 -17.973 -27.360 1.00 25.00 H new ATOM 0 HD22 ASN A 60 14.261 -17.935 -25.912 1.00 25.00 H new ATOM 926 N ARG A 61 10.592 -14.814 -26.414 1.00 25.00 N ATOM 927 CA ARG A 61 9.367 -15.311 -27.044 1.00 25.00 C ATOM 928 C ARG A 61 8.519 -14.136 -27.520 1.00 25.00 C ATOM 929 O ARG A 61 7.358 -14.319 -27.887 1.00 25.00 O ATOM 930 CB ARG A 61 8.558 -16.163 -26.057 1.00 25.00 C ATOM 931 CG ARG A 61 9.278 -17.424 -25.593 1.00 25.00 C ATOM 932 CD ARG A 61 8.295 -18.357 -24.877 1.00 25.00 C ATOM 933 NE ARG A 61 8.944 -19.548 -24.298 1.00 25.00 N ATOM 934 CZ ARG A 61 9.192 -20.684 -24.945 1.00 25.00 C ATOM 935 NH1 ARG A 61 8.907 -20.854 -26.214 1.00 25.00 N ATOM 936 NH2 ARG A 61 9.739 -21.672 -24.295 1.00 25.00 N ATOM 0 H ARG A 61 10.432 -14.292 -25.553 1.00 25.00 H new ATOM 0 HA ARG A 61 9.643 -15.932 -27.896 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.312 -15.556 -25.186 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.615 -16.446 -26.525 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.720 -17.935 -26.448 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.095 -17.160 -24.922 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.791 -17.804 -24.084 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.527 -18.676 -25.582 1.00 25.00 H new ATOM 0 HE ARG A 61 9.227 -19.497 -23.319 1.00 25.00 H new ATOM 0 HH11 ARG A 61 8.477 -20.097 -26.746 1.00 25.00 H new ATOM 0 HH12 ARG A 61 9.115 -21.743 -26.669 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.970 -21.567 -23.307 1.00 25.00 H new ATOM 0 HH22 ARG A 61 9.937 -22.550 -24.774 1.00 25.00 H new ATOM 950 N LEU A 62 9.093 -12.940 -27.515 1.00 25.00 N ATOM 951 CA LEU A 62 8.390 -11.728 -27.934 1.00 25.00 C ATOM 952 C LEU A 62 9.105 -11.066 -29.106 1.00 25.00 C ATOM 953 O LEU A 62 10.323 -11.115 -29.217 1.00 25.00 O ATOM 954 CB LEU A 62 8.327 -10.710 -26.780 1.00 25.00 C ATOM 955 CG LEU A 62 7.544 -11.080 -25.508 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.625 -9.929 -24.495 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.092 -11.373 -25.833 1.00 25.00 C ATOM 0 H LEU A 62 10.057 -12.780 -27.222 1.00 25.00 H new ATOM 0 HA LEU A 62 7.383 -12.023 -28.230 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.351 -10.484 -26.483 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.899 -9.789 -27.175 1.00 25.00 H new ATOM 0 HG LEU A 62 7.990 -11.977 -25.079 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.069 -10.196 -23.596 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.668 -9.745 -24.236 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.196 -9.028 -24.933 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.559 -11.632 -24.918 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.635 -10.491 -26.282 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.037 -12.207 -26.533 1.00 25.00 H new ATOM 969 N LYS A 63 8.340 -10.389 -29.948 1.00 25.00 N ATOM 970 CA LYS A 63 8.893 -9.592 -31.042 1.00 25.00 C ATOM 971 C LYS A 63 8.452 -8.154 -30.855 1.00 25.00 C ATOM 972 O LYS A 63 7.260 -7.864 -30.843 1.00 25.00 O ATOM 973 CB LYS A 63 8.413 -10.131 -32.396 1.00 25.00 C ATOM 974 CG LYS A 63 8.838 -9.284 -33.611 1.00 25.00 C ATOM 975 CD LYS A 63 10.358 -9.262 -33.828 1.00 25.00 C ATOM 976 CE LYS A 63 10.731 -8.366 -35.017 1.00 25.00 C ATOM 977 NZ LYS A 63 10.465 -6.897 -34.748 1.00 25.00 N ATOM 0 H LYS A 63 7.321 -10.374 -29.896 1.00 25.00 H new ATOM 0 HA LYS A 63 9.981 -9.650 -31.030 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.794 -11.144 -32.525 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.325 -10.199 -32.380 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.355 -9.676 -34.506 1.00 25.00 H new ATOM 0 HG3 LYS A 63 8.481 -8.263 -33.477 1.00 25.00 H new ATOM 0 HD2 LYS A 63 10.852 -8.900 -32.926 1.00 25.00 H new ATOM 0 HD3 LYS A 63 10.718 -10.275 -34.005 1.00 25.00 H new ATOM 0 HE2 LYS A 63 11.786 -8.503 -35.253 1.00 25.00 H new ATOM 0 HE3 LYS A 63 10.165 -8.679 -35.894 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 9.892 -6.501 -35.521 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 9.951 -6.796 -33.849 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 11.369 -6.386 -34.689 1.00 25.00 H new ATOM 991 N ILE A 64 9.423 -7.266 -30.710 1.00 25.00 N ATOM 992 CA ILE A 64 9.168 -5.833 -30.538 1.00 25.00 C ATOM 993 C ILE A 64 8.363 -5.305 -31.725 1.00 25.00 C ATOM 994 O ILE A 64 8.653 -5.643 -32.882 1.00 25.00 O ATOM 995 CB ILE A 64 10.523 -5.053 -30.414 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.319 -5.542 -29.180 1.00 25.00 C ATOM 997 CG2 ILE A 64 10.297 -3.529 -30.329 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.605 -5.356 -27.817 1.00 25.00 C ATOM 0 H ILE A 64 10.413 -7.512 -30.707 1.00 25.00 H new ATOM 0 HA ILE A 64 8.594 -5.682 -29.624 1.00 25.00 H new ATOM 0 HB ILE A 64 11.101 -5.256 -31.315 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.547 -6.600 -29.311 1.00 25.00 H new ATOM 0 HG13 ILE A 64 12.271 -5.012 -29.149 1.00 25.00 H new ATOM 0 HG21 ILE A 64 11.259 -3.023 -30.244 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.785 -3.186 -31.228 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.688 -3.300 -29.455 1.00 25.00 H new ATOM 0 HD11 ILE A 64 11.245 -5.729 -27.017 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.401 -4.298 -27.654 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.666 -5.910 -27.819 1.00 25.00 H new