USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 417 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -50:sc= -3.68! USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 25 LYS NZ :NH3+ -165:sc=-0.00963 (180deg=-0.148) USER MOD Single : A 27 TYR OH : rot 174:sc= -0.578 USER MOD Single : A 35 HIS : no HD1:sc= -0.425 X(o=-0.42,f=-0.39) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.772 K(o=-0.77,f=-2.3!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0018 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 -4.271 16.198 -1.044 1.00 0.00 N ATOM 89 CA VAL A 9 -4.771 16.466 -2.387 1.00 0.00 C ATOM 90 C VAL A 9 -5.264 15.188 -3.055 1.00 0.00 C ATOM 91 O VAL A 9 -4.704 14.112 -2.848 1.00 0.00 O ATOM 92 CB VAL A 9 -3.686 17.110 -3.271 1.00 0.00 C ATOM 93 CG1 VAL A 9 -2.553 16.128 -3.526 1.00 0.00 C ATOM 94 CG2 VAL A 9 -4.287 17.594 -4.582 1.00 0.00 C ATOM 0 HA VAL A 9 -5.604 17.161 -2.282 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.276 17.972 -2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.796 16.600 -4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.106 15.833 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.944 15.245 -4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.507 18.046 -5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.724 16.750 -5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.061 18.333 -4.376 1.00 0.00 H new ATOM 104 N TRP A 10 -6.315 15.314 -3.857 1.00 0.00 N ATOM 105 CA TRP A 10 -6.884 14.168 -4.557 1.00 0.00 C ATOM 106 C TRP A 10 -6.389 14.109 -5.997 1.00 0.00 C ATOM 107 O TRP A 10 -5.975 15.120 -6.564 1.00 0.00 O ATOM 108 CB TRP A 10 -8.412 14.237 -4.532 1.00 0.00 C ATOM 109 CG TRP A 10 -8.991 14.092 -3.158 1.00 0.00 C ATOM 110 CD1 TRP A 10 -9.573 15.073 -2.406 1.00 0.00 C ATOM 111 CD2 TRP A 10 -9.043 12.897 -2.371 1.00 0.00 C ATOM 112 NE1 TRP A 10 -9.982 14.559 -1.199 1.00 0.00 N ATOM 113 CE2 TRP A 10 -9.670 13.226 -1.153 1.00 0.00 C ATOM 114 CE3 TRP A 10 -8.623 11.580 -2.577 1.00 0.00 C ATOM 115 CZ2 TRP A 10 -9.884 12.287 -0.148 1.00 0.00 C ATOM 116 CZ3 TRP A 10 -8.835 10.649 -1.579 1.00 0.00 C ATOM 117 CH2 TRP A 10 -9.462 11.005 -0.377 1.00 0.00 C ATOM 0 H TRP A 10 -6.790 16.198 -4.039 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.560 13.263 -4.044 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.732 15.189 -4.955 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -8.814 13.452 -5.173 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.694 16.101 -2.715 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -10.443 15.085 -0.457 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.141 11.295 -3.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.366 12.560 0.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.512 9.629 -1.727 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -9.615 10.253 0.383 1.00 0.00 H new ATOM 128 N LYS A 11 -6.433 12.918 -6.585 1.00 0.00 N ATOM 129 CA LYS A 11 -5.990 12.727 -7.961 1.00 0.00 C ATOM 130 C LYS A 11 -6.870 11.709 -8.680 1.00 0.00 C ATOM 131 O LYS A 11 -7.485 10.839 -8.062 1.00 0.00 O ATOM 132 CB LYS A 11 -4.531 12.266 -7.989 1.00 0.00 C ATOM 133 CG LYS A 11 -3.699 12.809 -6.840 1.00 0.00 C ATOM 134 CD LYS A 11 -3.233 14.229 -7.112 1.00 0.00 C ATOM 135 CE LYS A 11 -2.042 14.254 -8.058 1.00 0.00 C ATOM 136 NZ LYS A 11 -1.376 15.586 -8.076 1.00 0.00 N ATOM 0 H LYS A 11 -6.771 12.070 -6.130 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.073 13.682 -8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.502 11.177 -7.964 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.079 12.575 -8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.286 12.787 -5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.834 12.165 -6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.052 14.806 -7.542 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.963 14.710 -6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.323 13.492 -7.757 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.373 14.000 -9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.570 15.562 -8.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.055 16.309 -8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.038 15.818 -7.120 1.00 0.00 H new ATOM 150 N PRO A 12 -6.931 11.816 -10.015 1.00 0.00 N ATOM 151 CA PRO A 12 -7.731 10.912 -10.846 1.00 0.00 C ATOM 152 C PRO A 12 -7.155 9.501 -10.888 1.00 0.00 C ATOM 153 O PRO A 12 -6.051 9.286 -11.387 1.00 0.00 O ATOM 154 CB PRO A 12 -7.669 11.557 -12.233 1.00 0.00 C ATOM 155 CG PRO A 12 -6.404 12.344 -12.229 1.00 0.00 C ATOM 156 CD PRO A 12 -6.224 12.829 -10.817 1.00 0.00 C ATOM 0 HA PRO A 12 -8.744 10.794 -10.461 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.664 10.803 -13.020 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.533 12.197 -12.411 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.560 11.729 -12.541 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.463 13.181 -12.925 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.170 12.893 -10.545 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.650 13.822 -10.676 1.00 0.00 H new ATOM 164 N GLY A 13 -7.910 8.542 -10.361 1.00 0.00 N ATOM 165 CA GLY A 13 -7.457 7.163 -10.349 1.00 0.00 C ATOM 166 C GLY A 13 -7.156 6.664 -8.950 1.00 0.00 C ATOM 167 O GLY A 13 -6.400 5.708 -8.774 1.00 0.00 O ATOM 0 H GLY A 13 -8.827 8.695 -9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.220 6.529 -10.801 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.562 7.072 -10.964 1.00 0.00 H new ATOM 171 N ASP A 14 -7.747 7.312 -7.953 1.00 0.00 N ATOM 172 CA ASP A 14 -7.538 6.928 -6.561 1.00 0.00 C ATOM 173 C ASP A 14 -8.870 6.679 -5.861 1.00 0.00 C ATOM 174 O ASP A 14 -9.726 7.561 -5.803 1.00 0.00 O ATOM 175 CB ASP A 14 -6.755 8.015 -5.823 1.00 0.00 C ATOM 176 CG ASP A 14 -5.275 7.985 -6.151 1.00 0.00 C ATOM 177 OD1 ASP A 14 -4.934 7.786 -7.335 1.00 0.00 O ATOM 178 OD2 ASP A 14 -4.458 8.161 -5.222 1.00 0.00 O ATOM 0 H ASP A 14 -8.375 8.106 -8.082 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.962 6.003 -6.547 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.162 8.992 -6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.889 7.889 -4.749 1.00 0.00 H new ATOM 183 N GLU A 15 -9.037 5.471 -5.330 1.00 0.00 N ATOM 184 CA GLU A 15 -10.265 5.106 -4.635 1.00 0.00 C ATOM 185 C GLU A 15 -10.452 5.952 -3.379 1.00 0.00 C ATOM 186 O GLU A 15 -9.505 6.181 -2.625 1.00 0.00 O ATOM 187 CB GLU A 15 -10.246 3.621 -4.265 1.00 0.00 C ATOM 188 CG GLU A 15 -9.097 3.237 -3.349 1.00 0.00 C ATOM 189 CD GLU A 15 -7.856 2.819 -4.113 1.00 0.00 C ATOM 190 OE1 GLU A 15 -7.881 1.741 -4.742 1.00 0.00 O ATOM 191 OE2 GLU A 15 -6.860 3.572 -4.082 1.00 0.00 O ATOM 0 H GLU A 15 -8.337 4.730 -5.368 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.102 5.295 -5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.188 3.364 -3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.185 3.028 -5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.854 4.081 -2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.412 2.420 -2.700 1.00 0.00 H new ATOM 198 N CYS A 16 -11.678 6.414 -3.161 1.00 0.00 N ATOM 199 CA CYS A 16 -11.990 7.236 -1.997 1.00 0.00 C ATOM 200 C CYS A 16 -13.445 7.055 -1.577 1.00 0.00 C ATOM 201 O CYS A 16 -14.233 6.430 -2.287 1.00 0.00 O ATOM 202 CB CYS A 16 -11.712 8.709 -2.298 1.00 0.00 C ATOM 203 SG CYS A 16 -12.518 9.321 -3.797 1.00 0.00 S ATOM 0 H CYS A 16 -12.472 6.234 -3.775 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.352 6.914 -1.174 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.041 9.310 -1.450 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.636 8.853 -2.393 1.00 0.00 H new ATOM 0 HG CYS A 16 -12.271 8.512 -4.784 1.00 0.00 H new ATOM 209 N PHE A 17 -13.794 7.605 -0.419 1.00 0.00 N ATOM 210 CA PHE A 17 -15.154 7.503 0.097 1.00 0.00 C ATOM 211 C PHE A 17 -15.906 8.817 -0.088 1.00 0.00 C ATOM 212 O PHE A 17 -15.543 9.839 0.493 1.00 0.00 O ATOM 213 CB PHE A 17 -15.133 7.118 1.578 1.00 0.00 C ATOM 214 CG PHE A 17 -14.999 5.640 1.811 1.00 0.00 C ATOM 215 CD1 PHE A 17 -16.012 4.772 1.436 1.00 0.00 C ATOM 216 CD2 PHE A 17 -13.862 5.119 2.407 1.00 0.00 C ATOM 217 CE1 PHE A 17 -15.892 3.411 1.649 1.00 0.00 C ATOM 218 CE2 PHE A 17 -13.737 3.760 2.622 1.00 0.00 C ATOM 219 CZ PHE A 17 -14.754 2.905 2.244 1.00 0.00 C ATOM 0 H PHE A 17 -13.154 8.126 0.180 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.672 6.726 -0.466 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.305 7.631 2.067 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.050 7.471 2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -16.905 5.163 0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.064 5.783 2.707 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -16.688 2.745 1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.844 3.366 3.085 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.659 1.843 2.414 1.00 0.00 H new ATOM 229 N ALA A 18 -16.956 8.782 -0.901 1.00 0.00 N ATOM 230 CA ALA A 18 -17.761 9.969 -1.162 1.00 0.00 C ATOM 231 C ALA A 18 -19.155 9.830 -0.560 1.00 0.00 C ATOM 232 O ALA A 18 -19.733 8.742 -0.551 1.00 0.00 O ATOM 233 CB ALA A 18 -17.854 10.225 -2.659 1.00 0.00 C ATOM 0 H ALA A 18 -17.270 7.944 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.272 10.820 -0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -18.458 11.114 -2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.854 10.377 -3.065 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.317 9.367 -3.147 1.00 0.00 H new ATOM 239 N LEU A 19 -19.690 10.937 -0.057 1.00 0.00 N ATOM 240 CA LEU A 19 -21.017 10.939 0.549 1.00 0.00 C ATOM 241 C LEU A 19 -22.101 11.079 -0.516 1.00 0.00 C ATOM 242 O LEU A 19 -21.981 11.888 -1.436 1.00 0.00 O ATOM 243 CB LEU A 19 -21.134 12.077 1.564 1.00 0.00 C ATOM 244 CG LEU A 19 -22.066 11.825 2.750 1.00 0.00 C ATOM 245 CD1 LEU A 19 -21.432 10.849 3.729 1.00 0.00 C ATOM 246 CD2 LEU A 19 -22.410 13.134 3.446 1.00 0.00 C ATOM 0 H LEU A 19 -19.225 11.845 -0.057 1.00 0.00 H new ATOM 0 HA LEU A 19 -21.157 9.987 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -20.139 12.297 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -21.477 12.970 1.041 1.00 0.00 H new ATOM 0 HG LEU A 19 -22.989 11.383 2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -22.110 10.682 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.238 9.902 3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -20.494 11.262 4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -23.074 12.935 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -21.496 13.605 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -22.907 13.801 2.741 1.00 0.00 H new ATOM 258 N TYR A 20 -23.158 10.286 -0.382 1.00 0.00 N ATOM 259 CA TYR A 20 -24.264 10.321 -1.333 1.00 0.00 C ATOM 260 C TYR A 20 -25.069 11.609 -1.185 1.00 0.00 C ATOM 261 O TYR A 20 -24.991 12.289 -0.162 1.00 0.00 O ATOM 262 CB TYR A 20 -25.176 9.110 -1.130 1.00 0.00 C ATOM 263 CG TYR A 20 -25.879 8.664 -2.392 1.00 0.00 C ATOM 264 CD1 TYR A 20 -25.188 8.545 -3.591 1.00 0.00 C ATOM 265 CD2 TYR A 20 -27.235 8.360 -2.385 1.00 0.00 C ATOM 266 CE1 TYR A 20 -25.826 8.138 -4.746 1.00 0.00 C ATOM 267 CE2 TYR A 20 -27.882 7.951 -3.535 1.00 0.00 C ATOM 268 CZ TYR A 20 -27.173 7.842 -4.713 1.00 0.00 C ATOM 269 OH TYR A 20 -27.812 7.435 -5.862 1.00 0.00 O ATOM 0 H TYR A 20 -23.273 9.612 0.375 1.00 0.00 H new ATOM 0 HA TYR A 20 -23.846 10.289 -2.339 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -24.584 8.281 -0.741 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -25.923 9.351 -0.374 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -24.133 8.775 -3.620 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -27.793 8.445 -1.464 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -25.274 8.052 -5.670 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -28.936 7.718 -3.512 1.00 0.00 H new ATOM 0 HH TYR A 20 -28.757 7.265 -5.668 1.00 0.00 H new ATOM 279 N TRP A 21 -25.842 11.936 -2.214 1.00 0.00 N ATOM 280 CA TRP A 21 -26.662 13.142 -2.200 1.00 0.00 C ATOM 281 C TRP A 21 -28.116 12.807 -1.885 1.00 0.00 C ATOM 282 O TRP A 21 -28.976 13.688 -1.875 1.00 0.00 O ATOM 283 CB TRP A 21 -26.572 13.861 -3.547 1.00 0.00 C ATOM 284 CG TRP A 21 -27.163 13.077 -4.680 1.00 0.00 C ATOM 285 CD1 TRP A 21 -26.507 12.212 -5.508 1.00 0.00 C ATOM 286 CD2 TRP A 21 -28.529 13.090 -5.109 1.00 0.00 C ATOM 287 NE1 TRP A 21 -27.383 11.685 -6.426 1.00 0.00 N ATOM 288 CE2 TRP A 21 -28.630 12.207 -6.203 1.00 0.00 C ATOM 289 CE3 TRP A 21 -29.676 13.759 -4.676 1.00 0.00 C ATOM 290 CZ2 TRP A 21 -29.832 11.980 -6.867 1.00 0.00 C ATOM 291 CZ3 TRP A 21 -30.869 13.532 -5.336 1.00 0.00 C ATOM 292 CH2 TRP A 21 -30.940 12.648 -6.421 1.00 0.00 C ATOM 0 H TRP A 21 -25.918 11.384 -3.068 1.00 0.00 H new ATOM 0 HA TRP A 21 -26.282 13.801 -1.419 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -27.083 14.821 -3.473 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -25.526 14.073 -3.768 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -25.455 11.977 -5.450 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -27.144 11.014 -7.156 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -29.632 14.442 -3.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -29.888 11.301 -7.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -31.762 14.045 -5.010 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -31.888 12.491 -6.915 1.00 0.00 H new ATOM 303 N GLU A 22 -28.383 11.530 -1.629 1.00 0.00 N ATOM 304 CA GLU A 22 -29.734 11.082 -1.315 1.00 0.00 C ATOM 305 C GLU A 22 -29.777 10.396 0.048 1.00 0.00 C ATOM 306 O GLU A 22 -30.844 10.234 0.640 1.00 0.00 O ATOM 307 CB GLU A 22 -30.242 10.125 -2.396 1.00 0.00 C ATOM 308 CG GLU A 22 -30.973 10.821 -3.531 1.00 0.00 C ATOM 309 CD GLU A 22 -32.419 11.129 -3.192 1.00 0.00 C ATOM 310 OE1 GLU A 22 -32.654 11.876 -2.219 1.00 0.00 O ATOM 311 OE2 GLU A 22 -33.315 10.623 -3.899 1.00 0.00 O ATOM 0 H GLU A 22 -27.682 10.789 -1.633 1.00 0.00 H new ATOM 0 HA GLU A 22 -30.381 11.958 -1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -29.397 9.571 -2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -30.910 9.395 -1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -30.456 11.749 -3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -30.938 10.192 -4.420 1.00 0.00 H new ATOM 318 N ASP A 23 -28.609 9.995 0.538 1.00 0.00 N ATOM 319 CA ASP A 23 -28.511 9.327 1.830 1.00 0.00 C ATOM 320 C ASP A 23 -27.536 10.059 2.748 1.00 0.00 C ATOM 321 O ASP A 23 -27.632 9.967 3.971 1.00 0.00 O ATOM 322 CB ASP A 23 -28.066 7.876 1.646 1.00 0.00 C ATOM 323 CG ASP A 23 -29.174 6.994 1.104 1.00 0.00 C ATOM 324 OD1 ASP A 23 -30.160 6.762 1.835 1.00 0.00 O ATOM 325 OD2 ASP A 23 -29.056 6.538 -0.053 1.00 0.00 O ATOM 0 H ASP A 23 -27.717 10.121 0.060 1.00 0.00 H new ATOM 0 HA ASP A 23 -29.498 9.340 2.293 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -27.215 7.844 0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -27.725 7.480 2.602 1.00 0.00 H new ATOM 330 N ASN A 24 -26.597 10.783 2.147 1.00 0.00 N ATOM 331 CA ASN A 24 -25.603 11.529 2.911 1.00 0.00 C ATOM 332 C ASN A 24 -24.733 10.587 3.737 1.00 0.00 C ATOM 333 O ASN A 24 -24.256 10.948 4.814 1.00 0.00 O ATOM 334 CB ASN A 24 -26.289 12.544 3.827 1.00 0.00 C ATOM 335 CG ASN A 24 -26.969 13.656 3.052 1.00 0.00 C ATOM 336 OD1 ASN A 24 -26.456 14.121 2.034 1.00 0.00 O ATOM 337 ND2 ASN A 24 -28.128 14.089 3.533 1.00 0.00 N ATOM 0 H ASN A 24 -26.504 10.869 1.135 1.00 0.00 H new ATOM 0 HA ASN A 24 -24.964 12.061 2.206 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -27.027 12.031 4.444 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.551 12.975 4.504 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -28.631 14.837 3.055 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -28.516 13.674 4.380 1.00 0.00 H new ATOM 344 N LYS A 25 -24.529 9.378 3.226 1.00 0.00 N ATOM 345 CA LYS A 25 -23.715 8.383 3.915 1.00 0.00 C ATOM 346 C LYS A 25 -22.472 8.039 3.100 1.00 0.00 C ATOM 347 O LYS A 25 -22.528 7.946 1.874 1.00 0.00 O ATOM 348 CB LYS A 25 -24.533 7.117 4.176 1.00 0.00 C ATOM 349 CG LYS A 25 -25.665 7.319 5.168 1.00 0.00 C ATOM 350 CD LYS A 25 -26.029 6.021 5.871 1.00 0.00 C ATOM 351 CE LYS A 25 -26.785 6.281 7.165 1.00 0.00 C ATOM 352 NZ LYS A 25 -25.893 6.818 8.229 1.00 0.00 N ATOM 0 H LYS A 25 -24.916 9.063 2.337 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.398 8.806 4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -24.947 6.761 3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -23.870 6.336 4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -25.373 8.065 5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -26.540 7.710 4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -26.639 5.406 5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -25.122 5.455 6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -27.593 6.988 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -27.245 5.355 7.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -26.369 6.744 9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -25.009 6.270 8.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -25.677 7.816 8.030 1.00 0.00 H new ATOM 366 N PHE A 26 -21.352 7.849 3.789 1.00 0.00 N ATOM 367 CA PHE A 26 -20.095 7.514 3.129 1.00 0.00 C ATOM 368 C PHE A 26 -20.211 6.190 2.380 1.00 0.00 C ATOM 369 O PHE A 26 -20.667 5.189 2.933 1.00 0.00 O ATOM 370 CB PHE A 26 -18.961 7.436 4.154 1.00 0.00 C ATOM 371 CG PHE A 26 -18.568 8.773 4.715 1.00 0.00 C ATOM 372 CD1 PHE A 26 -18.005 9.743 3.900 1.00 0.00 C ATOM 373 CD2 PHE A 26 -18.760 9.060 6.056 1.00 0.00 C ATOM 374 CE1 PHE A 26 -17.641 10.973 4.413 1.00 0.00 C ATOM 375 CE2 PHE A 26 -18.398 10.289 6.576 1.00 0.00 C ATOM 376 CZ PHE A 26 -17.839 11.247 5.753 1.00 0.00 C ATOM 0 H PHE A 26 -21.289 7.921 4.804 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.870 8.301 2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.265 6.783 4.972 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.090 6.977 3.686 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -17.849 9.535 2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -19.198 8.315 6.704 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.202 11.720 3.768 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.552 10.499 7.624 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.557 12.209 6.156 1.00 0.00 H new ATOM 386 N TYR A 27 -19.794 6.193 1.119 1.00 0.00 N ATOM 387 CA TYR A 27 -19.853 4.994 0.292 1.00 0.00 C ATOM 388 C TYR A 27 -18.624 4.890 -0.605 1.00 0.00 C ATOM 389 O TYR A 27 -18.113 5.896 -1.097 1.00 0.00 O ATOM 390 CB TYR A 27 -21.122 5.000 -0.562 1.00 0.00 C ATOM 391 CG TYR A 27 -22.398 4.969 0.249 1.00 0.00 C ATOM 392 CD1 TYR A 27 -22.592 4.016 1.240 1.00 0.00 C ATOM 393 CD2 TYR A 27 -23.410 5.895 0.023 1.00 0.00 C ATOM 394 CE1 TYR A 27 -23.756 3.984 1.983 1.00 0.00 C ATOM 395 CE2 TYR A 27 -24.577 5.872 0.762 1.00 0.00 C ATOM 396 CZ TYR A 27 -24.745 4.914 1.741 1.00 0.00 C ATOM 397 OH TYR A 27 -25.906 4.887 2.479 1.00 0.00 O ATOM 0 H TYR A 27 -19.411 7.012 0.647 1.00 0.00 H new ATOM 0 HA TYR A 27 -19.872 4.128 0.954 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -21.123 5.890 -1.191 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -21.105 4.139 -1.230 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -21.819 3.287 1.433 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -23.282 6.645 -0.743 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -23.891 3.235 2.749 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -25.353 6.599 0.575 1.00 0.00 H new ATOM 0 HH TYR A 27 -26.456 5.665 2.251 1.00 0.00 H new ATOM 407 N ARG A 28 -18.154 3.664 -0.815 1.00 0.00 N ATOM 408 CA ARG A 28 -16.984 3.427 -1.652 1.00 0.00 C ATOM 409 C ARG A 28 -17.114 4.155 -2.986 1.00 0.00 C ATOM 410 O ARG A 28 -18.194 4.207 -3.574 1.00 0.00 O ATOM 411 CB ARG A 28 -16.799 1.927 -1.893 1.00 0.00 C ATOM 412 CG ARG A 28 -15.349 1.516 -2.086 1.00 0.00 C ATOM 413 CD ARG A 28 -14.594 1.503 -0.766 1.00 0.00 C ATOM 414 NE ARG A 28 -13.522 0.511 -0.759 1.00 0.00 N ATOM 415 CZ ARG A 28 -12.443 0.589 -1.530 1.00 0.00 C ATOM 416 NH1 ARG A 28 -12.293 1.608 -2.365 1.00 0.00 N ATOM 417 NH2 ARG A 28 -11.510 -0.353 -1.466 1.00 0.00 N ATOM 0 H ARG A 28 -18.566 2.820 -0.417 1.00 0.00 H new ATOM 0 HA ARG A 28 -16.109 3.815 -1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -17.214 1.378 -1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -17.371 1.636 -2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.308 0.526 -2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.863 2.204 -2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.175 2.491 -0.578 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.289 1.292 0.047 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.606 -0.285 -0.127 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.007 2.335 -2.416 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.464 1.665 -2.956 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.621 -1.138 -0.824 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.682 -0.292 -2.059 1.00 0.00 H new ATOM 431 N ALA A 29 -16.005 4.717 -3.458 1.00 0.00 N ATOM 432 CA ALA A 29 -15.995 5.441 -4.723 1.00 0.00 C ATOM 433 C ALA A 29 -14.572 5.614 -5.244 1.00 0.00 C ATOM 434 O ALA A 29 -13.617 5.130 -4.639 1.00 0.00 O ATOM 435 CB ALA A 29 -16.667 6.797 -4.561 1.00 0.00 C ATOM 0 H ALA A 29 -15.103 4.684 -2.983 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.554 4.855 -5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.652 7.327 -5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -17.699 6.656 -4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.132 7.381 -3.813 1.00 0.00 H new ATOM 441 N GLU A 30 -14.440 6.305 -6.372 1.00 0.00 N ATOM 442 CA GLU A 30 -13.133 6.539 -6.975 1.00 0.00 C ATOM 443 C GLU A 30 -13.087 7.900 -7.663 1.00 0.00 C ATOM 444 O GLU A 30 -13.944 8.222 -8.486 1.00 0.00 O ATOM 445 CB GLU A 30 -12.807 5.435 -7.983 1.00 0.00 C ATOM 446 CG GLU A 30 -11.319 5.258 -8.232 1.00 0.00 C ATOM 447 CD GLU A 30 -11.009 4.037 -9.075 1.00 0.00 C ATOM 448 OE1 GLU A 30 -11.351 2.916 -8.642 1.00 0.00 O ATOM 449 OE2 GLU A 30 -10.426 4.201 -10.167 1.00 0.00 O ATOM 0 H GLU A 30 -15.221 6.712 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.387 6.528 -6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.221 4.493 -7.624 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.301 5.660 -8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.930 6.146 -8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.802 5.175 -7.276 1.00 0.00 H new ATOM 456 N VAL A 31 -12.080 8.697 -7.319 1.00 0.00 N ATOM 457 CA VAL A 31 -11.921 10.024 -7.902 1.00 0.00 C ATOM 458 C VAL A 31 -11.820 9.947 -9.421 1.00 0.00 C ATOM 459 O VAL A 31 -10.765 9.626 -9.967 1.00 0.00 O ATOM 460 CB VAL A 31 -10.670 10.733 -7.351 1.00 0.00 C ATOM 461 CG1 VAL A 31 -10.531 12.120 -7.959 1.00 0.00 C ATOM 462 CG2 VAL A 31 -10.728 10.811 -5.832 1.00 0.00 C ATOM 0 H VAL A 31 -11.362 8.446 -6.639 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.805 10.599 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.791 10.151 -7.629 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.641 12.606 -7.558 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.441 12.035 -9.042 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.411 12.715 -7.714 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.836 11.315 -5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.614 11.370 -5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.776 9.804 -5.418 1.00 0.00 H new ATOM 472 N GLU A 32 -12.925 10.245 -10.098 1.00 0.00 N ATOM 473 CA GLU A 32 -12.960 10.209 -11.556 1.00 0.00 C ATOM 474 C GLU A 32 -12.163 11.368 -12.148 1.00 0.00 C ATOM 475 O GLU A 32 -11.331 11.175 -13.033 1.00 0.00 O ATOM 476 CB GLU A 32 -14.406 10.262 -12.054 1.00 0.00 C ATOM 477 CG GLU A 32 -14.576 9.766 -13.481 1.00 0.00 C ATOM 478 CD GLU A 32 -13.971 10.709 -14.502 1.00 0.00 C ATOM 479 OE1 GLU A 32 -14.675 11.644 -14.938 1.00 0.00 O ATOM 480 OE2 GLU A 32 -12.792 10.512 -14.865 1.00 0.00 O ATOM 0 H GLU A 32 -13.807 10.514 -9.661 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.505 9.274 -11.883 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.032 9.662 -11.393 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.766 11.289 -11.990 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.112 8.785 -13.578 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.638 9.639 -13.693 1.00 0.00 H new ATOM 487 N ALA A 33 -12.426 12.573 -11.652 1.00 0.00 N ATOM 488 CA ALA A 33 -11.733 13.763 -12.130 1.00 0.00 C ATOM 489 C ALA A 33 -12.075 14.978 -11.274 1.00 0.00 C ATOM 490 O ALA A 33 -13.243 15.231 -10.975 1.00 0.00 O ATOM 491 CB ALA A 33 -12.082 14.027 -13.587 1.00 0.00 C ATOM 0 H ALA A 33 -13.114 12.751 -10.920 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.660 13.585 -12.051 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.558 14.919 -13.931 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.782 13.173 -14.194 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.157 14.179 -13.682 1.00 0.00 H new ATOM 497 N LEU A 34 -11.050 15.726 -10.881 1.00 0.00 N ATOM 498 CA LEU A 34 -11.241 16.915 -10.058 1.00 0.00 C ATOM 499 C LEU A 34 -11.739 18.085 -10.900 1.00 0.00 C ATOM 500 O LEU A 34 -11.688 18.046 -12.129 1.00 0.00 O ATOM 501 CB LEU A 34 -9.933 17.293 -9.361 1.00 0.00 C ATOM 502 CG LEU A 34 -9.165 16.145 -8.705 1.00 0.00 C ATOM 503 CD1 LEU A 34 -7.672 16.434 -8.702 1.00 0.00 C ATOM 504 CD2 LEU A 34 -9.668 15.907 -7.289 1.00 0.00 C ATOM 0 H LEU A 34 -10.078 15.530 -11.119 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.994 16.688 -9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.280 17.769 -10.092 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.154 18.039 -8.597 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.337 15.239 -9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.142 15.606 -8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.322 16.552 -9.728 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.480 17.351 -8.145 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.110 15.087 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.527 16.811 -6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.728 15.653 -7.317 1.00 0.00 H new ATOM 516 N HIS A 35 -12.219 19.128 -10.229 1.00 0.00 N ATOM 517 CA HIS A 35 -12.724 20.312 -10.915 1.00 0.00 C ATOM 518 C HIS A 35 -11.590 21.284 -11.228 1.00 0.00 C ATOM 519 O HIS A 35 -10.470 21.122 -10.743 1.00 0.00 O ATOM 520 CB HIS A 35 -13.786 21.007 -10.064 1.00 0.00 C ATOM 521 CG HIS A 35 -14.716 21.873 -10.856 1.00 0.00 C ATOM 522 ND1 HIS A 35 -15.039 23.163 -10.490 1.00 0.00 N ATOM 523 CD2 HIS A 35 -15.393 21.629 -12.002 1.00 0.00 C ATOM 524 CE1 HIS A 35 -15.875 23.674 -11.376 1.00 0.00 C ATOM 525 NE2 HIS A 35 -16.106 22.763 -12.304 1.00 0.00 N ATOM 0 H HIS A 35 -12.269 19.177 -9.211 1.00 0.00 H new ATOM 0 HA HIS A 35 -13.175 19.992 -11.854 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.368 20.252 -9.536 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -13.292 21.616 -9.307 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -15.376 20.713 -12.573 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -16.298 24.667 -11.347 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -16.715 22.882 -13.113 1.00 0.00 H new ATOM 534 N SER A 36 -11.888 22.292 -12.041 1.00 0.00 N ATOM 535 CA SER A 36 -10.892 23.287 -12.422 1.00 0.00 C ATOM 536 C SER A 36 -10.475 24.126 -11.218 1.00 0.00 C ATOM 537 O SER A 36 -9.286 24.278 -10.935 1.00 0.00 O ATOM 538 CB SER A 36 -11.442 24.194 -13.524 1.00 0.00 C ATOM 539 OG SER A 36 -10.400 24.915 -14.158 1.00 0.00 O ATOM 0 H SER A 36 -12.811 22.442 -12.449 1.00 0.00 H new ATOM 0 HA SER A 36 -10.014 22.761 -12.798 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.974 23.594 -14.262 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.164 24.891 -13.099 1.00 0.00 H new ATOM 0 HG SER A 36 -10.777 25.486 -14.859 1.00 0.00 H new ATOM 545 N SER A 37 -11.462 24.669 -10.512 1.00 0.00 N ATOM 546 CA SER A 37 -11.198 25.496 -9.340 1.00 0.00 C ATOM 547 C SER A 37 -10.493 24.690 -8.254 1.00 0.00 C ATOM 548 O SER A 37 -9.317 24.910 -7.966 1.00 0.00 O ATOM 549 CB SER A 37 -12.505 26.075 -8.795 1.00 0.00 C ATOM 550 OG SER A 37 -12.268 27.259 -8.053 1.00 0.00 O ATOM 0 H SER A 37 -12.451 24.551 -10.731 1.00 0.00 H new ATOM 0 HA SER A 37 -10.544 26.314 -9.642 1.00 0.00 H new ATOM 0 HB2 SER A 37 -13.184 26.289 -9.621 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.997 25.337 -8.161 1.00 0.00 H new ATOM 0 HG SER A 37 -13.119 27.610 -7.717 1.00 0.00 H new ATOM 556 N GLY A 38 -11.222 23.755 -7.652 1.00 0.00 N ATOM 557 CA GLY A 38 -10.651 22.930 -6.603 1.00 0.00 C ATOM 558 C GLY A 38 -11.561 22.814 -5.397 1.00 0.00 C ATOM 559 O GLY A 38 -11.097 22.835 -4.257 1.00 0.00 O ATOM 0 H GLY A 38 -12.198 23.554 -7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.448 21.935 -6.998 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.695 23.352 -6.293 1.00 0.00 H new ATOM 563 N MET A 39 -12.861 22.694 -5.647 1.00 0.00 N ATOM 564 CA MET A 39 -13.838 22.575 -4.571 1.00 0.00 C ATOM 565 C MET A 39 -14.564 21.236 -4.641 1.00 0.00 C ATOM 566 O MET A 39 -14.653 20.513 -3.648 1.00 0.00 O ATOM 567 CB MET A 39 -14.849 23.721 -4.643 1.00 0.00 C ATOM 568 CG MET A 39 -14.378 24.992 -3.955 1.00 0.00 C ATOM 569 SD MET A 39 -15.680 26.231 -3.817 1.00 0.00 S ATOM 570 CE MET A 39 -15.401 27.184 -5.307 1.00 0.00 C ATOM 0 H MET A 39 -13.262 22.677 -6.585 1.00 0.00 H new ATOM 0 HA MET A 39 -13.305 22.629 -3.622 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.062 23.942 -5.689 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.785 23.397 -4.189 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.009 24.746 -2.959 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.540 25.412 -4.511 1.00 0.00 H new ATOM 0 HE1 MET A 39 -16.131 27.991 -5.365 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.396 27.605 -5.287 1.00 0.00 H new ATOM 0 HE3 MET A 39 -15.506 26.537 -6.178 1.00 0.00 H new ATOM 580 N THR A 40 -15.082 20.909 -5.821 1.00 0.00 N ATOM 581 CA THR A 40 -15.801 19.657 -6.021 1.00 0.00 C ATOM 582 C THR A 40 -15.052 18.740 -6.980 1.00 0.00 C ATOM 583 O THR A 40 -14.117 19.165 -7.658 1.00 0.00 O ATOM 584 CB THR A 40 -17.220 19.905 -6.568 1.00 0.00 C ATOM 585 OG1 THR A 40 -17.153 20.682 -7.769 1.00 0.00 O ATOM 586 CG2 THR A 40 -18.078 20.626 -5.539 1.00 0.00 C ATOM 0 H THR A 40 -15.017 21.495 -6.653 1.00 0.00 H new ATOM 0 HA THR A 40 -15.875 19.176 -5.046 1.00 0.00 H new ATOM 0 HB THR A 40 -17.676 18.939 -6.785 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.059 20.834 -8.111 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.075 20.790 -5.947 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.151 20.019 -4.637 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.623 21.586 -5.295 1.00 0.00 H new ATOM 594 N ALA A 41 -15.470 17.479 -7.033 1.00 0.00 N ATOM 595 CA ALA A 41 -14.839 16.502 -7.912 1.00 0.00 C ATOM 596 C ALA A 41 -15.823 15.407 -8.310 1.00 0.00 C ATOM 597 O ALA A 41 -16.746 15.085 -7.562 1.00 0.00 O ATOM 598 CB ALA A 41 -13.618 15.896 -7.237 1.00 0.00 C ATOM 0 H ALA A 41 -16.242 17.111 -6.478 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.521 17.017 -8.819 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.157 15.168 -7.905 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.900 16.684 -7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.921 15.401 -6.314 1.00 0.00 H new ATOM 604 N VAL A 42 -15.621 14.838 -9.494 1.00 0.00 N ATOM 605 CA VAL A 42 -16.490 13.779 -9.993 1.00 0.00 C ATOM 606 C VAL A 42 -16.045 12.415 -9.478 1.00 0.00 C ATOM 607 O VAL A 42 -15.020 11.882 -9.904 1.00 0.00 O ATOM 608 CB VAL A 42 -16.515 13.751 -11.532 1.00 0.00 C ATOM 609 CG1 VAL A 42 -17.452 12.662 -12.032 1.00 0.00 C ATOM 610 CG2 VAL A 42 -16.921 15.110 -12.083 1.00 0.00 C ATOM 0 H VAL A 42 -14.862 15.093 -10.126 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.493 13.994 -9.625 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.511 13.525 -11.890 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.456 12.658 -13.122 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.111 11.693 -11.667 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.461 12.854 -11.666 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.933 15.072 -13.172 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.915 15.369 -11.718 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.206 15.864 -11.754 1.00 0.00 H new ATOM 620 N VAL A 43 -16.822 11.853 -8.557 1.00 0.00 N ATOM 621 CA VAL A 43 -16.509 10.549 -7.985 1.00 0.00 C ATOM 622 C VAL A 43 -17.506 9.492 -8.447 1.00 0.00 C ATOM 623 O VAL A 43 -18.711 9.740 -8.498 1.00 0.00 O ATOM 624 CB VAL A 43 -16.507 10.599 -6.445 1.00 0.00 C ATOM 625 CG1 VAL A 43 -15.476 11.599 -5.944 1.00 0.00 C ATOM 626 CG2 VAL A 43 -17.893 10.943 -5.921 1.00 0.00 C ATOM 0 H VAL A 43 -17.673 12.281 -8.191 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.512 10.280 -8.335 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.235 9.613 -6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.489 11.620 -4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.485 11.304 -6.289 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.714 12.591 -6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.873 10.974 -4.832 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -18.196 11.917 -6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.604 10.185 -6.249 1.00 0.00 H new ATOM 636 N LYS A 44 -16.996 8.312 -8.782 1.00 0.00 N ATOM 637 CA LYS A 44 -17.841 7.215 -9.239 1.00 0.00 C ATOM 638 C LYS A 44 -18.089 6.215 -8.114 1.00 0.00 C ATOM 639 O LYS A 44 -17.149 5.728 -7.484 1.00 0.00 O ATOM 640 CB LYS A 44 -17.192 6.507 -10.431 1.00 0.00 C ATOM 641 CG LYS A 44 -18.121 5.538 -11.141 1.00 0.00 C ATOM 642 CD LYS A 44 -17.495 4.999 -12.417 1.00 0.00 C ATOM 643 CE LYS A 44 -16.485 3.901 -12.121 1.00 0.00 C ATOM 644 NZ LYS A 44 -15.730 3.500 -13.340 1.00 0.00 N ATOM 0 H LYS A 44 -16.001 8.091 -8.746 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.799 7.632 -9.549 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.847 7.256 -11.144 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.311 5.966 -10.086 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.362 4.710 -10.475 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -19.059 6.040 -11.379 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.276 4.610 -13.071 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -17.005 5.811 -12.954 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.787 4.246 -11.358 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.002 3.033 -11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.052 2.750 -13.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.394 3.147 -14.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.217 4.322 -13.716 1.00 0.00 H new ATOM 658 N PHE A 45 -19.359 5.912 -7.867 1.00 0.00 N ATOM 659 CA PHE A 45 -19.730 4.969 -6.819 1.00 0.00 C ATOM 660 C PHE A 45 -19.640 3.532 -7.323 1.00 0.00 C ATOM 661 O PHE A 45 -20.224 3.183 -8.350 1.00 0.00 O ATOM 662 CB PHE A 45 -21.148 5.259 -6.321 1.00 0.00 C ATOM 663 CG PHE A 45 -21.228 6.439 -5.394 1.00 0.00 C ATOM 664 CD1 PHE A 45 -20.693 6.372 -4.118 1.00 0.00 C ATOM 665 CD2 PHE A 45 -21.838 7.615 -5.800 1.00 0.00 C ATOM 666 CE1 PHE A 45 -20.765 7.455 -3.263 1.00 0.00 C ATOM 667 CE2 PHE A 45 -21.913 8.702 -4.949 1.00 0.00 C ATOM 668 CZ PHE A 45 -21.376 8.622 -3.679 1.00 0.00 C ATOM 0 H PHE A 45 -20.149 6.306 -8.379 1.00 0.00 H new ATOM 0 HA PHE A 45 -19.030 5.090 -5.992 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -21.797 5.436 -7.179 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -21.532 4.377 -5.808 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -20.214 5.462 -3.787 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -22.259 7.683 -6.792 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -20.344 7.389 -2.271 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.391 9.613 -5.277 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.434 9.470 -3.013 1.00 0.00 H new ATOM 678 N THR A 46 -18.904 2.699 -6.593 1.00 0.00 N ATOM 679 CA THR A 46 -18.736 1.301 -6.965 1.00 0.00 C ATOM 680 C THR A 46 -20.051 0.539 -6.851 1.00 0.00 C ATOM 681 O THR A 46 -20.315 -0.383 -7.623 1.00 0.00 O ATOM 682 CB THR A 46 -17.677 0.609 -6.086 1.00 0.00 C ATOM 683 OG1 THR A 46 -17.105 -0.500 -6.789 1.00 0.00 O ATOM 684 CG2 THR A 46 -18.290 0.125 -4.780 1.00 0.00 C ATOM 0 H THR A 46 -18.415 2.970 -5.740 1.00 0.00 H new ATOM 0 HA THR A 46 -18.401 1.289 -8.002 1.00 0.00 H new ATOM 0 HB THR A 46 -16.897 1.335 -5.857 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.432 -0.933 -6.224 1.00 0.00 H new ATOM 0 HG21 THR A 46 -17.523 -0.360 -4.176 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.699 0.975 -4.233 1.00 0.00 H new ATOM 0 HG23 THR A 46 -19.087 -0.587 -4.994 1.00 0.00 H new ATOM 692 N ASP A 47 -20.874 0.930 -5.884 1.00 0.00 N ATOM 693 CA ASP A 47 -22.164 0.285 -5.670 1.00 0.00 C ATOM 694 C ASP A 47 -22.817 -0.079 -7.000 1.00 0.00 C ATOM 695 O ASP A 47 -23.168 -1.235 -7.235 1.00 0.00 O ATOM 696 CB ASP A 47 -23.089 1.200 -4.867 1.00 0.00 C ATOM 697 CG ASP A 47 -22.960 0.986 -3.372 1.00 0.00 C ATOM 698 OD1 ASP A 47 -23.448 -0.051 -2.876 1.00 0.00 O ATOM 699 OD2 ASP A 47 -22.370 1.855 -2.697 1.00 0.00 O ATOM 0 H ASP A 47 -20.670 1.691 -5.236 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.995 -0.632 -5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.861 2.239 -5.103 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -24.121 1.023 -5.169 1.00 0.00 H new ATOM 704 N TYR A 48 -22.978 0.916 -7.866 1.00 0.00 N ATOM 705 CA TYR A 48 -23.592 0.702 -9.170 1.00 0.00 C ATOM 706 C TYR A 48 -22.677 1.189 -10.290 1.00 0.00 C ATOM 707 O TYR A 48 -22.542 0.538 -11.325 1.00 0.00 O ATOM 708 CB TYR A 48 -24.940 1.422 -9.248 1.00 0.00 C ATOM 709 CG TYR A 48 -25.863 1.104 -8.093 1.00 0.00 C ATOM 710 CD1 TYR A 48 -25.759 1.785 -6.887 1.00 0.00 C ATOM 711 CD2 TYR A 48 -26.840 0.123 -8.209 1.00 0.00 C ATOM 712 CE1 TYR A 48 -26.600 1.498 -5.829 1.00 0.00 C ATOM 713 CE2 TYR A 48 -27.686 -0.170 -7.158 1.00 0.00 C ATOM 714 CZ TYR A 48 -27.562 0.519 -5.970 1.00 0.00 C ATOM 715 OH TYR A 48 -28.403 0.231 -4.919 1.00 0.00 O ATOM 0 H TYR A 48 -22.691 1.879 -7.688 1.00 0.00 H new ATOM 0 HA TYR A 48 -23.752 -0.369 -9.296 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -24.767 2.498 -9.278 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -25.433 1.152 -10.182 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -25.007 2.552 -6.774 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -26.939 -0.420 -9.137 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -26.505 2.036 -4.898 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -28.441 -0.935 -7.266 1.00 0.00 H new ATOM 0 HH TYR A 48 -29.023 -0.481 -5.182 1.00 0.00 H new ATOM 725 N GLY A 49 -22.050 2.341 -10.073 1.00 0.00 N ATOM 726 CA GLY A 49 -21.155 2.898 -11.071 1.00 0.00 C ATOM 727 C GLY A 49 -21.679 4.192 -11.662 1.00 0.00 C ATOM 728 O GLY A 49 -21.517 4.447 -12.855 1.00 0.00 O ATOM 0 H GLY A 49 -22.146 2.899 -9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -20.179 3.077 -10.620 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -21.008 2.171 -11.869 1.00 0.00 H new ATOM 732 N ASN A 50 -22.310 5.010 -10.826 1.00 0.00 N ATOM 733 CA ASN A 50 -22.862 6.283 -11.274 1.00 0.00 C ATOM 734 C ASN A 50 -22.020 7.450 -10.764 1.00 0.00 C ATOM 735 O ASN A 50 -21.538 7.433 -9.631 1.00 0.00 O ATOM 736 CB ASN A 50 -24.306 6.434 -10.794 1.00 0.00 C ATOM 737 CG ASN A 50 -24.492 5.967 -9.363 1.00 0.00 C ATOM 738 OD1 ASN A 50 -24.784 4.797 -9.113 1.00 0.00 O ATOM 739 ND2 ASN A 50 -24.323 6.882 -8.415 1.00 0.00 N ATOM 0 H ASN A 50 -22.452 4.814 -9.835 1.00 0.00 H new ATOM 0 HA ASN A 50 -22.846 6.294 -12.364 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -24.605 7.479 -10.874 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -24.965 5.863 -11.448 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -24.435 6.627 -7.434 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -24.081 7.840 -8.668 1.00 0.00 H new ATOM 746 N TYR A 51 -21.848 8.461 -11.608 1.00 0.00 N ATOM 747 CA TYR A 51 -21.064 9.635 -11.245 1.00 0.00 C ATOM 748 C TYR A 51 -21.893 10.607 -10.411 1.00 0.00 C ATOM 749 O TYR A 51 -23.085 10.789 -10.654 1.00 0.00 O ATOM 750 CB TYR A 51 -20.545 10.337 -12.501 1.00 0.00 C ATOM 751 CG TYR A 51 -19.641 9.471 -13.349 1.00 0.00 C ATOM 752 CD1 TYR A 51 -18.436 8.993 -12.849 1.00 0.00 C ATOM 753 CD2 TYR A 51 -19.993 9.129 -14.649 1.00 0.00 C ATOM 754 CE1 TYR A 51 -17.606 8.202 -13.620 1.00 0.00 C ATOM 755 CE2 TYR A 51 -19.170 8.338 -15.427 1.00 0.00 C ATOM 756 CZ TYR A 51 -17.978 7.877 -14.908 1.00 0.00 C ATOM 757 OH TYR A 51 -17.155 7.089 -15.679 1.00 0.00 O ATOM 0 H TYR A 51 -22.241 8.491 -12.549 1.00 0.00 H new ATOM 0 HA TYR A 51 -20.216 9.303 -10.646 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -21.394 10.660 -13.103 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -20.002 11.235 -12.207 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -18.143 9.244 -11.840 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -20.926 9.488 -15.058 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -16.672 7.840 -13.217 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -19.458 8.082 -16.436 1.00 0.00 H new ATOM 0 HH TYR A 51 -17.563 6.953 -16.559 1.00 0.00 H new ATOM 767 N GLU A 52 -21.251 11.229 -9.427 1.00 0.00 N ATOM 768 CA GLU A 52 -21.929 12.183 -8.557 1.00 0.00 C ATOM 769 C GLU A 52 -20.997 13.331 -8.178 1.00 0.00 C ATOM 770 O GLU A 52 -19.842 13.112 -7.817 1.00 0.00 O ATOM 771 CB GLU A 52 -22.435 11.484 -7.293 1.00 0.00 C ATOM 772 CG GLU A 52 -23.727 10.712 -7.501 1.00 0.00 C ATOM 773 CD GLU A 52 -24.864 11.594 -7.979 1.00 0.00 C ATOM 774 OE1 GLU A 52 -24.821 12.813 -7.710 1.00 0.00 O ATOM 775 OE2 GLU A 52 -25.796 11.067 -8.620 1.00 0.00 O ATOM 0 H GLU A 52 -20.264 11.090 -9.213 1.00 0.00 H new ATOM 0 HA GLU A 52 -22.779 12.593 -9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.666 10.800 -6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.588 12.229 -6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -23.558 9.918 -8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -24.013 10.232 -6.565 1.00 0.00 H new ATOM 782 N GLU A 53 -21.510 14.555 -8.264 1.00 0.00 N ATOM 783 CA GLU A 53 -20.724 15.737 -7.932 1.00 0.00 C ATOM 784 C GLU A 53 -20.665 15.944 -6.421 1.00 0.00 C ATOM 785 O GLU A 53 -21.574 16.522 -5.826 1.00 0.00 O ATOM 786 CB GLU A 53 -21.317 16.977 -8.605 1.00 0.00 C ATOM 787 CG GLU A 53 -20.449 18.216 -8.469 1.00 0.00 C ATOM 788 CD GLU A 53 -21.000 19.401 -9.238 1.00 0.00 C ATOM 789 OE1 GLU A 53 -21.045 19.330 -10.484 1.00 0.00 O ATOM 790 OE2 GLU A 53 -21.387 20.399 -8.595 1.00 0.00 O ATOM 0 H GLU A 53 -22.466 14.753 -8.561 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.710 15.583 -8.300 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -21.472 16.767 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.297 17.181 -8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.362 18.480 -7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -19.444 17.992 -8.826 1.00 0.00 H new ATOM 797 N VAL A 54 -19.587 15.466 -5.806 1.00 0.00 N ATOM 798 CA VAL A 54 -19.408 15.599 -4.365 1.00 0.00 C ATOM 799 C VAL A 54 -18.257 16.544 -4.039 1.00 0.00 C ATOM 800 O VAL A 54 -17.290 16.646 -4.795 1.00 0.00 O ATOM 801 CB VAL A 54 -19.139 14.233 -3.705 1.00 0.00 C ATOM 802 CG1 VAL A 54 -19.445 14.290 -2.217 1.00 0.00 C ATOM 803 CG2 VAL A 54 -19.954 13.144 -4.385 1.00 0.00 C ATOM 0 H VAL A 54 -18.825 14.984 -6.283 1.00 0.00 H new ATOM 0 HA VAL A 54 -20.336 16.011 -3.967 1.00 0.00 H new ATOM 0 HB VAL A 54 -18.083 13.992 -3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -19.249 13.316 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -18.813 15.042 -1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -20.493 14.553 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -19.752 12.186 -3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -21.015 13.376 -4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -19.680 13.088 -5.438 1.00 0.00 H new ATOM 813 N LEU A 55 -18.367 17.234 -2.909 1.00 0.00 N ATOM 814 CA LEU A 55 -17.335 18.172 -2.482 1.00 0.00 C ATOM 815 C LEU A 55 -16.102 17.431 -1.976 1.00 0.00 C ATOM 816 O LEU A 55 -16.205 16.334 -1.424 1.00 0.00 O ATOM 817 CB LEU A 55 -17.876 19.091 -1.386 1.00 0.00 C ATOM 818 CG LEU A 55 -18.548 20.380 -1.862 1.00 0.00 C ATOM 819 CD1 LEU A 55 -19.585 20.846 -0.853 1.00 0.00 C ATOM 820 CD2 LEU A 55 -17.508 21.466 -2.101 1.00 0.00 C ATOM 0 H LEU A 55 -19.160 17.161 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 55 -17.047 18.774 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.595 18.529 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -17.052 19.357 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 55 -19.055 20.176 -2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -20.052 21.764 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.346 20.075 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -19.101 21.033 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -18.003 22.376 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.973 21.668 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.802 21.133 -2.862 1.00 0.00 H new ATOM 832 N LEU A 56 -14.935 18.037 -2.165 1.00 0.00 N ATOM 833 CA LEU A 56 -13.680 17.436 -1.726 1.00 0.00 C ATOM 834 C LEU A 56 -13.627 17.336 -0.205 1.00 0.00 C ATOM 835 O LEU A 56 -12.916 16.496 0.348 1.00 0.00 O ATOM 836 CB LEU A 56 -12.493 18.255 -2.237 1.00 0.00 C ATOM 837 CG LEU A 56 -12.374 18.389 -3.755 1.00 0.00 C ATOM 838 CD1 LEU A 56 -11.207 19.293 -4.121 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.214 17.020 -4.401 1.00 0.00 C ATOM 0 H LEU A 56 -14.831 18.944 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.623 16.429 -2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.556 19.255 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.576 17.803 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.290 18.842 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.138 19.377 -5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.364 20.282 -3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.282 18.869 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.131 17.135 -5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.314 16.539 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.082 16.404 -4.168 1.00 0.00 H new ATOM 851 N SER A 57 -14.385 18.197 0.466 1.00 0.00 N ATOM 852 CA SER A 57 -14.424 18.207 1.924 1.00 0.00 C ATOM 853 C SER A 57 -15.276 17.057 2.453 1.00 0.00 C ATOM 854 O SER A 57 -15.290 16.782 3.652 1.00 0.00 O ATOM 855 CB SER A 57 -14.975 19.541 2.431 1.00 0.00 C ATOM 856 OG SER A 57 -16.217 19.844 1.821 1.00 0.00 O ATOM 0 H SER A 57 -14.981 18.897 0.023 1.00 0.00 H new ATOM 0 HA SER A 57 -13.406 18.080 2.291 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.098 19.499 3.513 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.260 20.337 2.222 1.00 0.00 H new ATOM 0 HG SER A 57 -16.549 20.700 2.163 1.00 0.00 H new ATOM 862 N ASN A 58 -15.984 16.390 1.548 1.00 0.00 N ATOM 863 CA ASN A 58 -16.840 15.269 1.923 1.00 0.00 C ATOM 864 C ASN A 58 -16.236 13.946 1.464 1.00 0.00 C ATOM 865 O ASN A 58 -16.952 12.968 1.245 1.00 0.00 O ATOM 866 CB ASN A 58 -18.235 15.443 1.319 1.00 0.00 C ATOM 867 CG ASN A 58 -18.940 16.681 1.838 1.00 0.00 C ATOM 868 OD1 ASN A 58 -18.500 17.299 2.808 1.00 0.00 O ATOM 869 ND2 ASN A 58 -20.041 17.049 1.193 1.00 0.00 N ATOM 0 H ASN A 58 -15.983 16.605 0.551 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.921 15.253 3.010 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.153 15.503 0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.838 14.563 1.545 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -20.558 17.874 1.497 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.369 16.507 0.394 1.00 0.00 H new ATOM 876 N ILE A 59 -14.915 13.923 1.321 1.00 0.00 N ATOM 877 CA ILE A 59 -14.215 12.720 0.890 1.00 0.00 C ATOM 878 C ILE A 59 -13.195 12.274 1.932 1.00 0.00 C ATOM 879 O ILE A 59 -12.640 13.093 2.664 1.00 0.00 O ATOM 880 CB ILE A 59 -13.495 12.938 -0.455 1.00 0.00 C ATOM 881 CG1 ILE A 59 -14.301 13.892 -1.340 1.00 0.00 C ATOM 882 CG2 ILE A 59 -13.278 11.608 -1.161 1.00 0.00 C ATOM 883 CD1 ILE A 59 -13.895 13.851 -2.797 1.00 0.00 C ATOM 0 H ILE A 59 -14.308 14.724 1.497 1.00 0.00 H new ATOM 0 HA ILE A 59 -14.970 11.943 0.768 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.521 13.387 -0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -15.359 13.644 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -14.183 14.909 -0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -12.768 11.778 -2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.668 10.958 -0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -14.241 11.133 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -14.507 14.551 -3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.845 14.128 -2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.040 12.844 -3.187 1.00 0.00 H new ATOM 895 N LYS A 60 -12.952 10.969 1.993 1.00 0.00 N ATOM 896 CA LYS A 60 -11.997 10.412 2.944 1.00 0.00 C ATOM 897 C LYS A 60 -11.078 9.402 2.263 1.00 0.00 C ATOM 898 O LYS A 60 -11.497 8.626 1.405 1.00 0.00 O ATOM 899 CB LYS A 60 -12.734 9.744 4.107 1.00 0.00 C ATOM 900 CG LYS A 60 -13.967 10.505 4.563 1.00 0.00 C ATOM 901 CD LYS A 60 -13.601 11.852 5.163 1.00 0.00 C ATOM 902 CE LYS A 60 -14.714 12.869 4.969 1.00 0.00 C ATOM 903 NZ LYS A 60 -14.746 13.873 6.069 1.00 0.00 N ATOM 0 H LYS A 60 -13.403 10.277 1.395 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.388 11.229 3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.028 8.737 3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.049 9.641 4.949 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.638 10.653 3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.509 9.913 5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.396 11.734 6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.685 12.221 4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.578 13.379 4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.673 12.353 4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.518 14.549 5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.902 13.389 6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.840 14.383 6.100 1.00 0.00 H new ATOM 917 N PRO A 61 -9.795 9.410 2.655 1.00 0.00 N ATOM 918 CA PRO A 61 -8.791 8.499 2.097 1.00 0.00 C ATOM 919 C PRO A 61 -9.017 7.054 2.528 1.00 0.00 C ATOM 920 O PRO A 61 -8.936 6.729 3.713 1.00 0.00 O ATOM 921 CB PRO A 61 -7.474 9.029 2.670 1.00 0.00 C ATOM 922 CG PRO A 61 -7.862 9.728 3.926 1.00 0.00 C ATOM 923 CD PRO A 61 -9.226 10.308 3.674 1.00 0.00 C ATOM 0 HA PRO A 61 -8.820 8.478 1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.774 8.218 2.869 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.984 9.709 1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.882 9.036 4.768 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.145 10.511 4.174 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.831 10.321 4.581 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.166 11.336 3.316 1.00 0.00 H new ATOM 931 N VAL A 62 -9.299 6.189 1.559 1.00 0.00 N ATOM 932 CA VAL A 62 -9.534 4.777 1.838 1.00 0.00 C ATOM 933 C VAL A 62 -8.297 3.942 1.526 1.00 0.00 C ATOM 934 O VAL A 62 -7.673 4.109 0.479 1.00 0.00 O ATOM 935 CB VAL A 62 -10.725 4.235 1.026 1.00 0.00 C ATOM 936 CG1 VAL A 62 -10.466 4.384 -0.466 1.00 0.00 C ATOM 937 CG2 VAL A 62 -10.997 2.783 1.385 1.00 0.00 C ATOM 0 H VAL A 62 -9.370 6.441 0.573 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.763 4.698 2.901 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.610 4.820 1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.318 3.996 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.324 5.437 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.570 3.826 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.842 2.416 0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.115 2.182 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.230 2.708 2.447 1.00 0.00 H new