USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 454 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 10 MET CE :methyl -140:sc= 0 (180deg=-0.0324) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 146:sc= 0.324 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.259 USER MOD Single : A 24 ASN : amide:sc= -2.51! C(o=-2.5!,f=-2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.791 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.331 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0336 USER MOD Single : A 56 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.3!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= -0.0159 (180deg=-0.205) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0363 X(o=-0.036,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -6.120 -7.907 2.983 1.00 0.00 N ATOM 67 CA ARG A 8 -7.090 -6.819 2.946 1.00 0.00 C ATOM 68 C ARG A 8 -6.842 -5.909 1.746 1.00 0.00 C ATOM 69 O ARG A 8 -5.752 -5.358 1.588 1.00 0.00 O ATOM 70 CB ARG A 8 -7.024 -6.004 4.239 1.00 0.00 C ATOM 71 CG ARG A 8 -5.799 -5.109 4.333 1.00 0.00 C ATOM 72 CD ARG A 8 -5.495 -4.731 5.774 1.00 0.00 C ATOM 73 NE ARG A 8 -6.233 -3.544 6.196 1.00 0.00 N ATOM 74 CZ ARG A 8 -6.017 -2.914 7.346 1.00 0.00 C ATOM 75 NH1 ARG A 8 -5.090 -3.356 8.184 1.00 0.00 N ATOM 76 NH2 ARG A 8 -6.730 -1.840 7.660 1.00 0.00 N ATOM 0 HA ARG A 8 -8.084 -7.256 2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.920 -5.388 4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.031 -6.686 5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.939 -5.621 3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.961 -4.206 3.745 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.746 -5.566 6.428 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.426 -4.551 5.884 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.954 -3.178 5.574 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.540 -4.182 7.947 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.926 -2.870 9.066 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.445 -1.497 7.018 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.563 -1.357 8.543 1.00 0.00 H new ATOM 90 N ARG A 9 -7.859 -5.758 0.904 1.00 0.00 N ATOM 91 CA ARG A 9 -7.750 -4.917 -0.282 1.00 0.00 C ATOM 92 C ARG A 9 -7.950 -3.447 0.074 1.00 0.00 C ATOM 93 O ARG A 9 -9.065 -3.014 0.365 1.00 0.00 O ATOM 94 CB ARG A 9 -8.779 -5.343 -1.331 1.00 0.00 C ATOM 95 CG ARG A 9 -8.330 -6.521 -2.181 1.00 0.00 C ATOM 96 CD ARG A 9 -9.515 -7.246 -2.798 1.00 0.00 C ATOM 97 NE ARG A 9 -9.146 -7.958 -4.019 1.00 0.00 N ATOM 98 CZ ARG A 9 -8.430 -9.077 -4.029 1.00 0.00 C ATOM 99 NH1 ARG A 9 -8.010 -9.609 -2.890 1.00 0.00 N ATOM 100 NH2 ARG A 9 -8.134 -9.666 -5.180 1.00 0.00 N ATOM 0 H ARG A 9 -8.767 -6.207 1.021 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.748 -5.040 -0.694 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.711 -5.602 -0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.993 -4.496 -1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.666 -6.169 -2.971 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.756 -7.216 -1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.924 -7.953 -2.076 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.303 -6.527 -3.022 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.455 -7.575 -4.913 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.236 -9.159 -2.003 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.460 -10.468 -2.901 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.456 -9.260 -6.058 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.584 -10.525 -5.187 1.00 0.00 H new ATOM 114 N MET A 10 -6.862 -2.684 0.049 1.00 0.00 N ATOM 115 CA MET A 10 -6.918 -1.262 0.368 1.00 0.00 C ATOM 116 C MET A 10 -7.057 -0.426 -0.900 1.00 0.00 C ATOM 117 O MET A 10 -6.565 -0.805 -1.963 1.00 0.00 O ATOM 118 CB MET A 10 -5.664 -0.840 1.136 1.00 0.00 C ATOM 119 CG MET A 10 -5.226 -1.849 2.186 1.00 0.00 C ATOM 120 SD MET A 10 -4.159 -1.123 3.445 1.00 0.00 S ATOM 121 CE MET A 10 -5.366 -0.289 4.472 1.00 0.00 C ATOM 0 H MET A 10 -5.931 -3.027 -0.189 1.00 0.00 H new ATOM 0 HA MET A 10 -7.794 -1.090 0.994 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.849 -0.687 0.429 1.00 0.00 H new ATOM 0 HB3 MET A 10 -5.850 0.119 1.620 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.108 -2.275 2.664 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.700 -2.670 1.698 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.971 0.677 4.785 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.285 -0.139 3.905 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.578 -0.897 5.352 1.00 0.00 H new ATOM 131 N VAL A 11 -7.730 0.714 -0.780 1.00 0.00 N ATOM 132 CA VAL A 11 -7.934 1.605 -1.917 1.00 0.00 C ATOM 133 C VAL A 11 -7.101 2.874 -1.776 1.00 0.00 C ATOM 134 O VAL A 11 -7.260 3.629 -0.817 1.00 0.00 O ATOM 135 CB VAL A 11 -9.417 1.991 -2.069 1.00 0.00 C ATOM 136 CG1 VAL A 11 -9.893 2.771 -0.854 1.00 0.00 C ATOM 137 CG2 VAL A 11 -9.630 2.792 -3.345 1.00 0.00 C ATOM 0 H VAL A 11 -8.143 1.043 0.093 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.616 1.062 -2.807 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.008 1.077 -2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.943 3.035 -0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.777 2.158 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.300 3.680 -0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.683 3.057 -3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.029 3.701 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.330 2.193 -4.205 1.00 0.00 H new ATOM 147 N ALA A 12 -6.214 3.103 -2.738 1.00 0.00 N ATOM 148 CA ALA A 12 -5.358 4.283 -2.723 1.00 0.00 C ATOM 149 C ALA A 12 -6.182 5.558 -2.574 1.00 0.00 C ATOM 150 O ALA A 12 -7.058 5.841 -3.392 1.00 0.00 O ATOM 151 CB ALA A 12 -4.516 4.341 -3.989 1.00 0.00 C ATOM 0 H ALA A 12 -6.069 2.487 -3.538 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.694 4.208 -1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.882 5.227 -3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.892 3.450 -4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.170 4.388 -4.859 1.00 0.00 H new ATOM 157 N LEU A 13 -5.897 6.322 -1.526 1.00 0.00 N ATOM 158 CA LEU A 13 -6.612 7.567 -1.270 1.00 0.00 C ATOM 159 C LEU A 13 -6.015 8.715 -2.077 1.00 0.00 C ATOM 160 O LEU A 13 -6.725 9.631 -2.491 1.00 0.00 O ATOM 161 CB LEU A 13 -6.573 7.903 0.222 1.00 0.00 C ATOM 162 CG LEU A 13 -7.308 6.934 1.148 1.00 0.00 C ATOM 163 CD1 LEU A 13 -6.999 7.248 2.604 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.808 6.989 0.896 1.00 0.00 C ATOM 0 H LEU A 13 -5.176 6.101 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.648 7.431 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.530 7.953 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.996 8.898 0.361 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.960 5.923 0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.531 6.548 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.927 7.156 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.318 8.265 2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.315 6.293 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.171 8.000 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.013 6.714 -0.139 1.00 0.00 H new ATOM 176 N TYR A 14 -4.707 8.657 -2.299 1.00 0.00 N ATOM 177 CA TYR A 14 -4.013 9.691 -3.058 1.00 0.00 C ATOM 178 C TYR A 14 -2.825 9.107 -3.816 1.00 0.00 C ATOM 179 O TYR A 14 -2.236 8.111 -3.396 1.00 0.00 O ATOM 180 CB TYR A 14 -3.539 10.806 -2.124 1.00 0.00 C ATOM 181 CG TYR A 14 -4.637 11.376 -1.255 1.00 0.00 C ATOM 182 CD1 TYR A 14 -5.421 12.434 -1.698 1.00 0.00 C ATOM 183 CD2 TYR A 14 -4.889 10.859 0.010 1.00 0.00 C ATOM 184 CE1 TYR A 14 -6.425 12.959 -0.907 1.00 0.00 C ATOM 185 CE2 TYR A 14 -5.892 11.376 0.806 1.00 0.00 C ATOM 186 CZ TYR A 14 -6.657 12.427 0.344 1.00 0.00 C ATOM 187 OH TYR A 14 -7.656 12.946 1.135 1.00 0.00 O ATOM 0 H TYR A 14 -4.105 7.905 -1.964 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.713 10.106 -3.783 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.745 10.420 -1.485 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.106 11.609 -2.721 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.243 12.853 -2.677 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.290 10.039 0.377 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.025 13.782 -1.267 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.077 10.960 1.785 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.688 12.457 1.984 1.00 0.00 H new ATOM 197 N ASP A 15 -2.479 9.736 -4.934 1.00 0.00 N ATOM 198 CA ASP A 15 -1.360 9.281 -5.751 1.00 0.00 C ATOM 199 C ASP A 15 -0.057 9.323 -4.960 1.00 0.00 C ATOM 200 O ASP A 15 0.386 10.388 -4.530 1.00 0.00 O ATOM 201 CB ASP A 15 -1.236 10.143 -7.008 1.00 0.00 C ATOM 202 CG ASP A 15 -2.585 10.517 -7.590 1.00 0.00 C ATOM 203 OD1 ASP A 15 -3.216 11.460 -7.068 1.00 0.00 O ATOM 204 OD2 ASP A 15 -3.011 9.866 -8.567 1.00 0.00 O ATOM 0 H ASP A 15 -2.957 10.562 -5.295 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.552 8.249 -6.045 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.683 11.051 -6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.657 9.605 -7.758 1.00 0.00 H new ATOM 209 N TYR A 16 0.552 8.158 -4.770 1.00 0.00 N ATOM 210 CA TYR A 16 1.803 8.061 -4.028 1.00 0.00 C ATOM 211 C TYR A 16 2.998 8.026 -4.975 1.00 0.00 C ATOM 212 O TYR A 16 2.868 7.658 -6.143 1.00 0.00 O ATOM 213 CB TYR A 16 1.801 6.811 -3.146 1.00 0.00 C ATOM 214 CG TYR A 16 3.136 6.528 -2.494 1.00 0.00 C ATOM 215 CD1 TYR A 16 3.623 7.344 -1.480 1.00 0.00 C ATOM 216 CD2 TYR A 16 3.910 5.445 -2.892 1.00 0.00 C ATOM 217 CE1 TYR A 16 4.842 7.090 -0.882 1.00 0.00 C ATOM 218 CE2 TYR A 16 5.130 5.183 -2.298 1.00 0.00 C ATOM 219 CZ TYR A 16 5.591 6.008 -1.294 1.00 0.00 C ATOM 220 OH TYR A 16 6.806 5.750 -0.702 1.00 0.00 O ATOM 0 H TYR A 16 0.199 7.267 -5.120 1.00 0.00 H new ATOM 0 HA TYR A 16 1.890 8.945 -3.396 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.044 6.925 -2.370 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.511 5.951 -3.750 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.038 8.191 -1.154 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.552 4.797 -3.679 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.206 7.735 -0.096 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.719 4.337 -2.619 1.00 0.00 H new ATOM 0 HH TYR A 16 6.952 4.782 -0.663 1.00 0.00 H new ATOM 230 N ASP A 17 4.162 8.412 -4.464 1.00 0.00 N ATOM 231 CA ASP A 17 5.382 8.424 -5.262 1.00 0.00 C ATOM 232 C ASP A 17 6.614 8.290 -4.374 1.00 0.00 C ATOM 233 O ASP A 17 7.009 9.221 -3.672 1.00 0.00 O ATOM 234 CB ASP A 17 5.467 9.713 -6.082 1.00 0.00 C ATOM 235 CG ASP A 17 4.109 10.183 -6.565 1.00 0.00 C ATOM 236 OD1 ASP A 17 3.406 10.862 -5.788 1.00 0.00 O ATOM 237 OD2 ASP A 17 3.748 9.870 -7.719 1.00 0.00 O ATOM 0 H ASP A 17 4.286 8.721 -3.500 1.00 0.00 H new ATOM 0 HA ASP A 17 5.351 7.571 -5.940 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.925 10.495 -5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.119 9.552 -6.941 1.00 0.00 H new ATOM 242 N PRO A 18 7.238 7.103 -4.402 1.00 0.00 N ATOM 243 CA PRO A 18 8.434 6.818 -3.604 1.00 0.00 C ATOM 244 C PRO A 18 9.657 7.582 -4.100 1.00 0.00 C ATOM 245 O PRO A 18 10.741 7.477 -3.527 1.00 0.00 O ATOM 246 CB PRO A 18 8.634 5.311 -3.790 1.00 0.00 C ATOM 247 CG PRO A 18 7.986 5.001 -5.095 1.00 0.00 C ATOM 248 CD PRO A 18 6.823 5.947 -5.215 1.00 0.00 C ATOM 0 HA PRO A 18 8.312 7.121 -2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.692 5.051 -3.802 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.176 4.748 -2.977 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.686 5.136 -5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.651 3.964 -5.128 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.640 6.230 -6.252 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.902 5.501 -4.839 1.00 0.00 H new ATOM 256 N ARG A 19 9.475 8.351 -5.169 1.00 0.00 N ATOM 257 CA ARG A 19 10.564 9.133 -5.742 1.00 0.00 C ATOM 258 C ARG A 19 10.486 10.588 -5.290 1.00 0.00 C ATOM 259 O ARG A 19 11.499 11.283 -5.226 1.00 0.00 O ATOM 260 CB ARG A 19 10.524 9.059 -7.269 1.00 0.00 C ATOM 261 CG ARG A 19 11.189 7.815 -7.836 1.00 0.00 C ATOM 262 CD ARG A 19 11.349 7.908 -9.346 1.00 0.00 C ATOM 263 NE ARG A 19 12.223 6.862 -9.869 1.00 0.00 N ATOM 264 CZ ARG A 19 11.852 5.594 -10.005 1.00 0.00 C ATOM 265 NH1 ARG A 19 10.629 5.217 -9.657 1.00 0.00 N ATOM 266 NH2 ARG A 19 12.705 4.700 -10.489 1.00 0.00 N ATOM 0 H ARG A 19 8.584 8.449 -5.655 1.00 0.00 H new ATOM 0 HA ARG A 19 11.505 8.712 -5.389 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.485 9.088 -7.599 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.014 9.942 -7.680 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.167 7.681 -7.373 1.00 0.00 H new ATOM 0 HG3 ARG A 19 10.594 6.937 -7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.370 7.833 -9.820 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.756 8.885 -9.608 1.00 0.00 H new ATOM 0 HE ARG A 19 13.171 7.119 -10.145 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.971 5.901 -9.284 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.346 4.243 -9.762 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.647 4.986 -10.757 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.419 3.726 -10.593 1.00 0.00 H new ATOM 280 N GLU A 20 9.275 11.041 -4.978 1.00 0.00 N ATOM 281 CA GLU A 20 9.065 12.414 -4.534 1.00 0.00 C ATOM 282 C GLU A 20 8.857 12.471 -3.023 1.00 0.00 C ATOM 283 O GLU A 20 9.494 13.263 -2.328 1.00 0.00 O ATOM 284 CB GLU A 20 7.859 13.026 -5.250 1.00 0.00 C ATOM 285 CG GLU A 20 8.037 13.138 -6.755 1.00 0.00 C ATOM 286 CD GLU A 20 7.657 11.864 -7.483 1.00 0.00 C ATOM 287 OE1 GLU A 20 6.453 11.674 -7.757 1.00 0.00 O ATOM 288 OE2 GLU A 20 8.563 11.057 -7.780 1.00 0.00 O ATOM 0 H GLU A 20 8.426 10.478 -5.025 1.00 0.00 H new ATOM 0 HA GLU A 20 9.956 12.990 -4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.977 12.420 -5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.669 14.018 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.428 13.961 -7.129 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.076 13.383 -6.977 1.00 0.00 H new ATOM 295 N SER A 21 7.961 11.627 -2.523 1.00 0.00 N ATOM 296 CA SER A 21 7.664 11.584 -1.096 1.00 0.00 C ATOM 297 C SER A 21 8.808 10.934 -0.323 1.00 0.00 C ATOM 298 O SER A 21 9.435 11.566 0.527 1.00 0.00 O ATOM 299 CB SER A 21 6.365 10.816 -0.846 1.00 0.00 C ATOM 300 OG SER A 21 5.325 11.288 -1.685 1.00 0.00 O ATOM 0 H SER A 21 7.428 10.963 -3.085 1.00 0.00 H new ATOM 0 HA SER A 21 7.545 12.609 -0.744 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.527 9.753 -1.025 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.071 10.922 0.198 1.00 0.00 H new ATOM 0 HG SER A 21 4.506 10.780 -1.508 1.00 0.00 H new ATOM 306 N SER A 22 9.074 9.668 -0.626 1.00 0.00 N ATOM 307 CA SER A 22 10.140 8.930 0.043 1.00 0.00 C ATOM 308 C SER A 22 11.490 9.604 -0.181 1.00 0.00 C ATOM 309 O SER A 22 11.770 10.153 -1.247 1.00 0.00 O ATOM 310 CB SER A 22 10.187 7.488 -0.466 1.00 0.00 C ATOM 311 OG SER A 22 10.695 6.613 0.527 1.00 0.00 O ATOM 0 H SER A 22 8.567 9.132 -1.330 1.00 0.00 H new ATOM 0 HA SER A 22 9.929 8.924 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.186 7.169 -0.759 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.812 7.434 -1.357 1.00 0.00 H new ATOM 0 HG SER A 22 10.709 5.697 0.179 1.00 0.00 H new ATOM 317 N PRO A 23 12.349 9.563 0.849 1.00 0.00 N ATOM 318 CA PRO A 23 13.684 10.164 0.790 1.00 0.00 C ATOM 319 C PRO A 23 14.620 9.408 -0.147 1.00 0.00 C ATOM 320 O PRO A 23 15.826 9.648 -0.161 1.00 0.00 O ATOM 321 CB PRO A 23 14.181 10.066 2.235 1.00 0.00 C ATOM 322 CG PRO A 23 13.429 8.919 2.817 1.00 0.00 C ATOM 323 CD PRO A 23 12.082 8.926 2.149 1.00 0.00 C ATOM 0 HA PRO A 23 13.655 11.182 0.402 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.257 9.894 2.273 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.986 10.987 2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.950 7.979 2.636 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.330 9.025 3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.688 7.917 2.029 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.349 9.487 2.728 1.00 0.00 H new ATOM 331 N ASN A 24 14.055 8.495 -0.929 1.00 0.00 N ATOM 332 CA ASN A 24 14.839 7.703 -1.870 1.00 0.00 C ATOM 333 C ASN A 24 15.639 6.627 -1.142 1.00 0.00 C ATOM 334 O ASN A 24 16.844 6.486 -1.350 1.00 0.00 O ATOM 335 CB ASN A 24 15.785 8.607 -2.665 1.00 0.00 C ATOM 336 CG ASN A 24 15.213 9.995 -2.879 1.00 0.00 C ATOM 337 OD1 ASN A 24 14.135 10.153 -3.451 1.00 0.00 O ATOM 338 ND2 ASN A 24 15.936 11.010 -2.418 1.00 0.00 N ATOM 0 H ASN A 24 13.057 8.285 -0.930 1.00 0.00 H new ATOM 0 HA ASN A 24 14.149 7.214 -2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 24 16.736 8.686 -2.138 1.00 0.00 H new ATOM 0 HB3 ASN A 24 15.993 8.150 -3.632 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.602 11.967 -2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 24 16.825 10.832 -1.950 1.00 0.00 H new ATOM 345 N VAL A 25 14.959 5.869 -0.287 1.00 0.00 N ATOM 346 CA VAL A 25 15.605 4.805 0.471 1.00 0.00 C ATOM 347 C VAL A 25 15.147 3.432 -0.009 1.00 0.00 C ATOM 348 O VAL A 25 14.155 2.891 0.480 1.00 0.00 O ATOM 349 CB VAL A 25 15.313 4.932 1.978 1.00 0.00 C ATOM 350 CG1 VAL A 25 16.242 5.953 2.618 1.00 0.00 C ATOM 351 CG2 VAL A 25 13.857 5.307 2.209 1.00 0.00 C ATOM 0 H VAL A 25 13.961 5.973 -0.102 1.00 0.00 H new ATOM 0 HA VAL A 25 16.678 4.906 0.306 1.00 0.00 H new ATOM 0 HB VAL A 25 15.495 3.965 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 25 16.021 6.029 3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 25 17.277 5.638 2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.095 6.925 2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.669 5.392 3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.646 6.261 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.212 4.536 1.787 1.00 0.00 H new ATOM 361 N ASP A 26 15.876 2.874 -0.969 1.00 0.00 N ATOM 362 CA ASP A 26 15.547 1.563 -1.516 1.00 0.00 C ATOM 363 C ASP A 26 14.175 1.582 -2.183 1.00 0.00 C ATOM 364 O ASP A 26 13.473 0.571 -2.211 1.00 0.00 O ATOM 365 CB ASP A 26 15.576 0.505 -0.412 1.00 0.00 C ATOM 366 CG ASP A 26 16.986 0.188 0.048 1.00 0.00 C ATOM 367 OD1 ASP A 26 17.694 -0.544 -0.674 1.00 0.00 O ATOM 368 OD2 ASP A 26 17.379 0.671 1.131 1.00 0.00 O ATOM 0 H ASP A 26 16.699 3.309 -1.385 1.00 0.00 H new ATOM 0 HA ASP A 26 16.294 1.312 -2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.989 0.854 0.438 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.101 -0.407 -0.774 1.00 0.00 H new ATOM 373 N VAL A 27 13.798 2.739 -2.718 1.00 0.00 N ATOM 374 CA VAL A 27 12.511 2.890 -3.385 1.00 0.00 C ATOM 375 C VAL A 27 12.289 1.783 -4.409 1.00 0.00 C ATOM 376 O VAL A 27 11.153 1.465 -4.758 1.00 0.00 O ATOM 377 CB VAL A 27 12.400 4.255 -4.089 1.00 0.00 C ATOM 378 CG1 VAL A 27 12.459 5.386 -3.074 1.00 0.00 C ATOM 379 CG2 VAL A 27 13.496 4.407 -5.132 1.00 0.00 C ATOM 0 H VAL A 27 14.366 3.586 -2.702 1.00 0.00 H new ATOM 0 HA VAL A 27 11.745 2.825 -2.612 1.00 0.00 H new ATOM 0 HB VAL A 27 11.437 4.305 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.379 6.343 -3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.635 5.285 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.406 5.342 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.402 5.377 -5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.470 4.336 -4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.402 3.616 -5.876 1.00 0.00 H new ATOM 389 N GLU A 28 13.384 1.198 -4.887 1.00 0.00 N ATOM 390 CA GLU A 28 13.308 0.126 -5.872 1.00 0.00 C ATOM 391 C GLU A 28 12.335 -0.960 -5.421 1.00 0.00 C ATOM 392 O GLU A 28 11.862 -1.759 -6.229 1.00 0.00 O ATOM 393 CB GLU A 28 14.693 -0.481 -6.106 1.00 0.00 C ATOM 394 CG GLU A 28 15.703 0.507 -6.665 1.00 0.00 C ATOM 395 CD GLU A 28 17.059 -0.125 -6.918 1.00 0.00 C ATOM 396 OE1 GLU A 28 17.140 -1.032 -7.773 1.00 0.00 O ATOM 397 OE2 GLU A 28 18.037 0.286 -6.260 1.00 0.00 O ATOM 0 H GLU A 28 14.333 1.449 -4.608 1.00 0.00 H new ATOM 0 HA GLU A 28 12.943 0.552 -6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.070 -0.879 -5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.601 -1.322 -6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.321 0.923 -7.597 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.818 1.337 -5.968 1.00 0.00 H new ATOM 404 N ALA A 29 12.041 -0.981 -4.125 1.00 0.00 N ATOM 405 CA ALA A 29 11.124 -1.967 -3.567 1.00 0.00 C ATOM 406 C ALA A 29 9.733 -1.373 -3.369 1.00 0.00 C ATOM 407 O ALA A 29 8.726 -2.065 -3.517 1.00 0.00 O ATOM 408 CB ALA A 29 11.663 -2.502 -2.248 1.00 0.00 C ATOM 0 H ALA A 29 12.424 -0.327 -3.443 1.00 0.00 H new ATOM 0 HA ALA A 29 11.042 -2.791 -4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.968 -3.237 -1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.632 -2.972 -2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.775 -1.680 -1.541 1.00 0.00 H new ATOM 414 N GLU A 30 9.686 -0.087 -3.034 1.00 0.00 N ATOM 415 CA GLU A 30 8.418 0.598 -2.815 1.00 0.00 C ATOM 416 C GLU A 30 7.541 0.533 -4.063 1.00 0.00 C ATOM 417 O GLU A 30 8.040 0.568 -5.188 1.00 0.00 O ATOM 418 CB GLU A 30 8.662 2.058 -2.426 1.00 0.00 C ATOM 419 CG GLU A 30 9.237 2.227 -1.030 1.00 0.00 C ATOM 420 CD GLU A 30 9.413 3.683 -0.644 1.00 0.00 C ATOM 421 OE1 GLU A 30 10.417 4.292 -1.069 1.00 0.00 O ATOM 422 OE2 GLU A 30 8.547 4.214 0.083 1.00 0.00 O ATOM 0 H GLU A 30 10.510 0.500 -2.909 1.00 0.00 H new ATOM 0 HA GLU A 30 7.899 0.094 -2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.343 2.509 -3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.721 2.605 -2.491 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.580 1.741 -0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.201 1.721 -0.974 1.00 0.00 H new ATOM 429 N LEU A 31 6.233 0.438 -3.855 1.00 0.00 N ATOM 430 CA LEU A 31 5.285 0.367 -4.962 1.00 0.00 C ATOM 431 C LEU A 31 4.730 1.748 -5.292 1.00 0.00 C ATOM 432 O LEU A 31 4.379 2.519 -4.398 1.00 0.00 O ATOM 433 CB LEU A 31 4.140 -0.587 -4.619 1.00 0.00 C ATOM 434 CG LEU A 31 4.461 -2.080 -4.705 1.00 0.00 C ATOM 435 CD1 LEU A 31 3.285 -2.908 -4.213 1.00 0.00 C ATOM 436 CD2 LEU A 31 4.829 -2.465 -6.131 1.00 0.00 C ATOM 0 H LEU A 31 5.804 0.408 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 31 5.814 -0.011 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.801 -0.366 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.305 -0.376 -5.288 1.00 0.00 H new ATOM 0 HG LEU A 31 5.317 -2.286 -4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.532 -3.967 -4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.069 -2.652 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.410 -2.699 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.054 -3.531 -6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.993 -2.244 -6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.704 -1.896 -6.447 1.00 0.00 H new ATOM 448 N THR A 32 4.650 2.056 -6.583 1.00 0.00 N ATOM 449 CA THR A 32 4.136 3.343 -7.033 1.00 0.00 C ATOM 450 C THR A 32 2.737 3.202 -7.620 1.00 0.00 C ATOM 451 O THR A 32 2.573 2.797 -8.771 1.00 0.00 O ATOM 452 CB THR A 32 5.061 3.980 -8.087 1.00 0.00 C ATOM 453 OG1 THR A 32 6.425 3.890 -7.661 1.00 0.00 O ATOM 454 CG2 THR A 32 4.693 5.438 -8.319 1.00 0.00 C ATOM 0 H THR A 32 4.935 1.430 -7.336 1.00 0.00 H new ATOM 0 HA THR A 32 4.096 3.990 -6.157 1.00 0.00 H new ATOM 0 HB THR A 32 4.937 3.436 -9.023 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.006 4.296 -8.338 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.360 5.867 -9.067 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.663 5.502 -8.671 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.792 5.991 -7.385 1.00 0.00 H new ATOM 462 N PHE A 33 1.729 3.539 -6.822 1.00 0.00 N ATOM 463 CA PHE A 33 0.342 3.450 -7.263 1.00 0.00 C ATOM 464 C PHE A 33 -0.285 4.837 -7.371 1.00 0.00 C ATOM 465 O PHE A 33 0.358 5.845 -7.079 1.00 0.00 O ATOM 466 CB PHE A 33 -0.469 2.585 -6.296 1.00 0.00 C ATOM 467 CG PHE A 33 -0.213 2.903 -4.850 1.00 0.00 C ATOM 468 CD1 PHE A 33 0.883 2.366 -4.193 1.00 0.00 C ATOM 469 CD2 PHE A 33 -1.068 3.737 -4.148 1.00 0.00 C ATOM 470 CE1 PHE A 33 1.122 2.657 -2.863 1.00 0.00 C ATOM 471 CE2 PHE A 33 -0.834 4.031 -2.818 1.00 0.00 C ATOM 472 CZ PHE A 33 0.261 3.489 -2.174 1.00 0.00 C ATOM 0 H PHE A 33 1.847 3.876 -5.867 1.00 0.00 H new ATOM 0 HA PHE A 33 0.330 2.988 -8.250 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.530 2.716 -6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.235 1.536 -6.476 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.558 1.713 -4.726 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.927 4.162 -4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.981 2.234 -2.363 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.507 4.684 -2.283 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.444 3.715 -1.134 1.00 0.00 H new ATOM 482 N CYS A 34 -1.544 4.879 -7.794 1.00 0.00 N ATOM 483 CA CYS A 34 -2.259 6.141 -7.942 1.00 0.00 C ATOM 484 C CYS A 34 -3.584 6.108 -7.187 1.00 0.00 C ATOM 485 O CYS A 34 -3.967 5.080 -6.627 1.00 0.00 O ATOM 486 CB CYS A 34 -2.508 6.439 -9.421 1.00 0.00 C ATOM 487 SG CYS A 34 -1.160 7.329 -10.233 1.00 0.00 S ATOM 0 H CYS A 34 -2.090 4.054 -8.040 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.641 6.932 -7.518 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.677 5.499 -9.946 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.423 7.024 -9.513 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.464 7.532 -11.481 1.00 0.00 H new ATOM 493 N THR A 35 -4.280 7.241 -7.174 1.00 0.00 N ATOM 494 CA THR A 35 -5.560 7.343 -6.485 1.00 0.00 C ATOM 495 C THR A 35 -6.551 6.310 -7.010 1.00 0.00 C ATOM 496 O THR A 35 -6.822 6.249 -8.208 1.00 0.00 O ATOM 497 CB THR A 35 -6.171 8.748 -6.640 1.00 0.00 C ATOM 498 OG1 THR A 35 -5.392 9.704 -5.912 1.00 0.00 O ATOM 499 CG2 THR A 35 -7.608 8.772 -6.141 1.00 0.00 C ATOM 0 H THR A 35 -3.978 8.101 -7.633 1.00 0.00 H new ATOM 0 HA THR A 35 -5.366 7.153 -5.429 1.00 0.00 H new ATOM 0 HB THR A 35 -6.167 9.007 -7.699 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.786 10.595 -6.017 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.018 9.775 -6.261 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.205 8.065 -6.717 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.632 8.494 -5.087 1.00 0.00 H new ATOM 507 N GLY A 36 -7.089 5.499 -6.104 1.00 0.00 N ATOM 508 CA GLY A 36 -8.044 4.479 -6.496 1.00 0.00 C ATOM 509 C GLY A 36 -7.423 3.098 -6.567 1.00 0.00 C ATOM 510 O GLY A 36 -7.997 2.126 -6.078 1.00 0.00 O ATOM 0 H GLY A 36 -6.881 5.530 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.870 4.466 -5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.465 4.735 -7.468 1.00 0.00 H new ATOM 514 N ASP A 37 -6.247 3.012 -7.179 1.00 0.00 N ATOM 515 CA ASP A 37 -5.547 1.740 -7.314 1.00 0.00 C ATOM 516 C ASP A 37 -5.685 0.906 -6.043 1.00 0.00 C ATOM 517 O ASP A 37 -5.323 1.353 -4.954 1.00 0.00 O ATOM 518 CB ASP A 37 -4.068 1.978 -7.624 1.00 0.00 C ATOM 519 CG ASP A 37 -3.830 2.326 -9.080 1.00 0.00 C ATOM 520 OD1 ASP A 37 -3.763 1.394 -9.909 1.00 0.00 O ATOM 521 OD2 ASP A 37 -3.711 3.530 -9.391 1.00 0.00 O ATOM 0 H ASP A 37 -5.759 3.808 -7.589 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.000 1.190 -8.139 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.693 2.785 -6.995 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.498 1.084 -7.369 1.00 0.00 H new ATOM 526 N ILE A 38 -6.212 -0.304 -6.191 1.00 0.00 N ATOM 527 CA ILE A 38 -6.398 -1.199 -5.055 1.00 0.00 C ATOM 528 C ILE A 38 -5.154 -2.048 -4.815 1.00 0.00 C ATOM 529 O ILE A 38 -4.617 -2.656 -5.741 1.00 0.00 O ATOM 530 CB ILE A 38 -7.608 -2.129 -5.264 1.00 0.00 C ATOM 531 CG1 ILE A 38 -8.827 -1.323 -5.718 1.00 0.00 C ATOM 532 CG2 ILE A 38 -7.917 -2.891 -3.984 1.00 0.00 C ATOM 533 CD1 ILE A 38 -9.477 -0.533 -4.605 1.00 0.00 C ATOM 0 H ILE A 38 -6.518 -0.688 -7.085 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.579 -0.570 -4.183 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.363 -2.850 -6.043 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.525 -0.638 -6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.563 -2.003 -6.148 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.774 -3.544 -4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.053 -3.491 -3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.146 -2.184 -3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.334 0.014 -4.999 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.810 -1.214 -3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.756 0.172 -4.190 1.00 0.00 H new ATOM 545 N ILE A 39 -4.704 -2.085 -3.565 1.00 0.00 N ATOM 546 CA ILE A 39 -3.525 -2.862 -3.202 1.00 0.00 C ATOM 547 C ILE A 39 -3.818 -3.790 -2.028 1.00 0.00 C ATOM 548 O ILE A 39 -4.323 -3.357 -0.991 1.00 0.00 O ATOM 549 CB ILE A 39 -2.339 -1.949 -2.837 1.00 0.00 C ATOM 550 CG1 ILE A 39 -1.992 -1.033 -4.013 1.00 0.00 C ATOM 551 CG2 ILE A 39 -1.133 -2.783 -2.434 1.00 0.00 C ATOM 552 CD1 ILE A 39 -1.359 0.275 -3.593 1.00 0.00 C ATOM 0 H ILE A 39 -5.137 -1.587 -2.788 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.259 -3.458 -4.075 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.625 -1.327 -1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.312 -1.558 -4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.899 -0.823 -4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.303 -2.124 -2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.387 -3.397 -1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.843 -3.427 -3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.140 0.874 -4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.046 0.821 -2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.434 0.075 -3.052 1.00 0.00 H new ATOM 564 N THR A 40 -3.496 -5.068 -2.196 1.00 0.00 N ATOM 565 CA THR A 40 -3.723 -6.058 -1.151 1.00 0.00 C ATOM 566 C THR A 40 -2.527 -6.149 -0.210 1.00 0.00 C ATOM 567 O THR A 40 -1.509 -6.757 -0.542 1.00 0.00 O ATOM 568 CB THR A 40 -4.001 -7.451 -1.746 1.00 0.00 C ATOM 569 OG1 THR A 40 -5.019 -7.361 -2.749 1.00 0.00 O ATOM 570 CG2 THR A 40 -4.435 -8.426 -0.663 1.00 0.00 C ATOM 0 H THR A 40 -3.077 -5.442 -3.047 1.00 0.00 H new ATOM 0 HA THR A 40 -4.598 -5.730 -0.591 1.00 0.00 H new ATOM 0 HB THR A 40 -3.079 -7.820 -2.196 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.189 -8.251 -3.124 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.626 -9.403 -1.108 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.646 -8.515 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.345 -8.060 -0.188 1.00 0.00 H new ATOM 578 N VAL A 41 -2.657 -5.542 0.965 1.00 0.00 N ATOM 579 CA VAL A 41 -1.586 -5.557 1.955 1.00 0.00 C ATOM 580 C VAL A 41 -1.667 -6.801 2.833 1.00 0.00 C ATOM 581 O VAL A 41 -2.744 -7.361 3.038 1.00 0.00 O ATOM 582 CB VAL A 41 -1.634 -4.305 2.852 1.00 0.00 C ATOM 583 CG1 VAL A 41 -1.498 -3.043 2.014 1.00 0.00 C ATOM 584 CG2 VAL A 41 -2.920 -4.281 3.664 1.00 0.00 C ATOM 0 H VAL A 41 -3.493 -5.034 1.255 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.645 -5.565 1.404 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.794 -4.343 3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.534 -2.169 2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.547 -3.060 1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.315 -2.994 1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.937 -3.390 4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.776 -4.266 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.969 -5.169 4.293 1.00 0.00 H new ATOM 594 N PHE A 42 -0.520 -7.228 3.350 1.00 0.00 N ATOM 595 CA PHE A 42 -0.459 -8.407 4.207 1.00 0.00 C ATOM 596 C PHE A 42 0.309 -8.108 5.491 1.00 0.00 C ATOM 597 O PHE A 42 1.359 -7.467 5.464 1.00 0.00 O ATOM 598 CB PHE A 42 0.201 -9.570 3.464 1.00 0.00 C ATOM 599 CG PHE A 42 -0.433 -9.869 2.135 1.00 0.00 C ATOM 600 CD1 PHE A 42 -1.709 -10.405 2.066 1.00 0.00 C ATOM 601 CD2 PHE A 42 0.248 -9.615 0.955 1.00 0.00 C ATOM 602 CE1 PHE A 42 -2.294 -10.682 0.845 1.00 0.00 C ATOM 603 CE2 PHE A 42 -0.332 -9.890 -0.269 1.00 0.00 C ATOM 604 CZ PHE A 42 -1.605 -10.423 -0.324 1.00 0.00 C ATOM 0 H PHE A 42 0.380 -6.776 3.191 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.479 -8.686 4.472 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.256 -9.341 3.311 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.155 -10.462 4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.252 -10.609 2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.243 -9.197 0.992 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.289 -11.101 0.805 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.210 -9.688 -1.181 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.061 -10.637 -1.279 1.00 0.00 H new ATOM 614 N GLY A 43 -0.224 -8.576 6.615 1.00 0.00 N ATOM 615 CA GLY A 43 0.423 -8.349 7.894 1.00 0.00 C ATOM 616 C GLY A 43 0.226 -6.933 8.399 1.00 0.00 C ATOM 617 O GLY A 43 -0.434 -6.122 7.751 1.00 0.00 O ATOM 0 H GLY A 43 -1.093 -9.109 6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.028 -9.052 8.628 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.490 -8.553 7.800 1.00 0.00 H new ATOM 621 N GLU A 44 0.800 -6.636 9.562 1.00 0.00 N ATOM 622 CA GLU A 44 0.681 -5.309 10.154 1.00 0.00 C ATOM 623 C GLU A 44 1.813 -4.401 9.684 1.00 0.00 C ATOM 624 O GLU A 44 2.759 -4.853 9.039 1.00 0.00 O ATOM 625 CB GLU A 44 0.690 -5.406 11.681 1.00 0.00 C ATOM 626 CG GLU A 44 1.952 -6.038 12.244 1.00 0.00 C ATOM 627 CD GLU A 44 3.037 -5.019 12.532 1.00 0.00 C ATOM 628 OE1 GLU A 44 2.703 -3.921 13.025 1.00 0.00 O ATOM 629 OE2 GLU A 44 4.219 -5.318 12.265 1.00 0.00 O ATOM 0 H GLU A 44 1.351 -7.296 10.111 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.266 -4.877 9.830 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.576 -4.406 12.101 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.173 -5.988 12.005 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.708 -6.572 13.162 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.331 -6.776 11.537 1.00 0.00 H new ATOM 636 N ILE A 45 1.709 -3.117 10.012 1.00 0.00 N ATOM 637 CA ILE A 45 2.723 -2.145 9.625 1.00 0.00 C ATOM 638 C ILE A 45 4.094 -2.533 10.170 1.00 0.00 C ATOM 639 O ILE A 45 4.200 -3.139 11.237 1.00 0.00 O ATOM 640 CB ILE A 45 2.367 -0.731 10.121 1.00 0.00 C ATOM 641 CG1 ILE A 45 0.991 -0.315 9.598 1.00 0.00 C ATOM 642 CG2 ILE A 45 3.430 0.266 9.685 1.00 0.00 C ATOM 643 CD1 ILE A 45 0.455 0.944 10.243 1.00 0.00 C ATOM 0 H ILE A 45 0.932 -2.726 10.545 1.00 0.00 H new ATOM 0 HA ILE A 45 2.756 -2.141 8.535 1.00 0.00 H new ATOM 0 HB ILE A 45 2.332 -0.742 11.210 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.051 -0.164 8.520 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.286 -1.129 9.767 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.164 1.261 10.043 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.394 -0.024 10.102 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.494 0.277 8.597 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.523 1.179 9.824 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.362 0.791 11.318 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.140 1.770 10.052 1.00 0.00 H new ATOM 655 N ASP A 46 5.140 -2.180 9.432 1.00 0.00 N ATOM 656 CA ASP A 46 6.505 -2.488 9.842 1.00 0.00 C ATOM 657 C ASP A 46 7.032 -1.435 10.812 1.00 0.00 C ATOM 658 O ASP A 46 6.339 -0.469 11.129 1.00 0.00 O ATOM 659 CB ASP A 46 7.420 -2.578 8.620 1.00 0.00 C ATOM 660 CG ASP A 46 7.231 -3.870 7.849 1.00 0.00 C ATOM 661 OD1 ASP A 46 6.745 -4.852 8.448 1.00 0.00 O ATOM 662 OD2 ASP A 46 7.569 -3.899 6.647 1.00 0.00 O ATOM 0 H ASP A 46 5.069 -1.680 8.546 1.00 0.00 H new ATOM 0 HA ASP A 46 6.496 -3.452 10.351 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.224 -1.733 7.960 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.459 -2.498 8.941 1.00 0.00 H new ATOM 667 N GLU A 47 8.261 -1.630 11.278 1.00 0.00 N ATOM 668 CA GLU A 47 8.880 -0.697 12.213 1.00 0.00 C ATOM 669 C GLU A 47 8.895 0.718 11.640 1.00 0.00 C ATOM 670 O GLU A 47 8.592 1.685 12.339 1.00 0.00 O ATOM 671 CB GLU A 47 10.307 -1.140 12.542 1.00 0.00 C ATOM 672 CG GLU A 47 11.222 -1.195 11.331 1.00 0.00 C ATOM 673 CD GLU A 47 12.570 -1.815 11.645 1.00 0.00 C ATOM 674 OE1 GLU A 47 13.294 -1.258 12.496 1.00 0.00 O ATOM 675 OE2 GLU A 47 12.900 -2.856 11.041 1.00 0.00 O ATOM 0 H GLU A 47 8.848 -2.425 11.024 1.00 0.00 H new ATOM 0 HA GLU A 47 8.288 -0.694 13.128 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.731 -0.455 13.276 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.274 -2.125 13.007 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.738 -1.769 10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.371 -0.186 10.947 1.00 0.00 H new ATOM 682 N ASP A 48 9.249 0.829 10.365 1.00 0.00 N ATOM 683 CA ASP A 48 9.304 2.124 9.697 1.00 0.00 C ATOM 684 C ASP A 48 7.926 2.778 9.665 1.00 0.00 C ATOM 685 O ASP A 48 7.748 3.898 10.142 1.00 0.00 O ATOM 686 CB ASP A 48 9.839 1.965 8.273 1.00 0.00 C ATOM 687 CG ASP A 48 11.308 1.590 8.245 1.00 0.00 C ATOM 688 OD1 ASP A 48 12.050 2.032 9.147 1.00 0.00 O ATOM 689 OD2 ASP A 48 11.714 0.854 7.322 1.00 0.00 O ATOM 0 H ASP A 48 9.502 0.038 9.773 1.00 0.00 H new ATOM 0 HA ASP A 48 9.979 2.767 10.261 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.262 1.200 7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.695 2.898 7.727 1.00 0.00 H new ATOM 694 N GLY A 49 6.953 2.070 9.099 1.00 0.00 N ATOM 695 CA GLY A 49 5.604 2.598 9.014 1.00 0.00 C ATOM 696 C GLY A 49 4.994 2.415 7.638 1.00 0.00 C ATOM 697 O GLY A 49 4.344 3.319 7.114 1.00 0.00 O ATOM 0 H GLY A 49 7.075 1.140 8.698 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.976 2.103 9.755 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.616 3.659 9.264 1.00 0.00 H new ATOM 701 N PHE A 50 5.206 1.242 7.051 1.00 0.00 N ATOM 702 CA PHE A 50 4.675 0.944 5.726 1.00 0.00 C ATOM 703 C PHE A 50 4.000 -0.425 5.706 1.00 0.00 C ATOM 704 O PHE A 50 4.080 -1.183 6.672 1.00 0.00 O ATOM 705 CB PHE A 50 5.794 0.988 4.683 1.00 0.00 C ATOM 706 CG PHE A 50 6.382 2.357 4.492 1.00 0.00 C ATOM 707 CD1 PHE A 50 7.233 2.898 5.442 1.00 0.00 C ATOM 708 CD2 PHE A 50 6.083 3.103 3.363 1.00 0.00 C ATOM 709 CE1 PHE A 50 7.777 4.157 5.269 1.00 0.00 C ATOM 710 CE2 PHE A 50 6.623 4.362 3.185 1.00 0.00 C ATOM 711 CZ PHE A 50 7.470 4.890 4.140 1.00 0.00 C ATOM 0 H PHE A 50 5.741 0.483 7.472 1.00 0.00 H new ATOM 0 HA PHE A 50 3.930 1.701 5.482 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.585 0.300 4.981 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.405 0.632 3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.474 2.330 6.328 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.420 2.695 2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.441 4.567 6.016 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.383 4.933 2.300 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.892 5.875 4.004 1.00 0.00 H new ATOM 721 N TYR A 51 3.334 -0.732 4.598 1.00 0.00 N ATOM 722 CA TYR A 51 2.641 -2.007 4.453 1.00 0.00 C ATOM 723 C TYR A 51 3.213 -2.807 3.286 1.00 0.00 C ATOM 724 O TYR A 51 3.826 -2.249 2.377 1.00 0.00 O ATOM 725 CB TYR A 51 1.144 -1.777 4.242 1.00 0.00 C ATOM 726 CG TYR A 51 0.352 -1.725 5.529 1.00 0.00 C ATOM 727 CD1 TYR A 51 0.555 -2.666 6.531 1.00 0.00 C ATOM 728 CD2 TYR A 51 -0.599 -0.735 5.744 1.00 0.00 C ATOM 729 CE1 TYR A 51 -0.166 -2.623 7.709 1.00 0.00 C ATOM 730 CE2 TYR A 51 -1.324 -0.684 6.919 1.00 0.00 C ATOM 731 CZ TYR A 51 -1.104 -1.630 7.898 1.00 0.00 C ATOM 732 OH TYR A 51 -1.825 -1.582 9.069 1.00 0.00 O ATOM 0 H TYR A 51 3.259 -0.116 3.788 1.00 0.00 H new ATOM 0 HA TYR A 51 2.788 -2.578 5.370 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.001 -0.842 3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.748 -2.574 3.613 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.289 -3.445 6.387 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.774 0.007 4.979 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.004 -3.363 8.477 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.059 0.093 7.070 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.442 -0.821 9.042 1.00 0.00 H new ATOM 742 N TYR A 52 3.007 -4.119 3.321 1.00 0.00 N ATOM 743 CA TYR A 52 3.503 -4.998 2.268 1.00 0.00 C ATOM 744 C TYR A 52 2.349 -5.676 1.536 1.00 0.00 C ATOM 745 O TYR A 52 1.737 -6.612 2.049 1.00 0.00 O ATOM 746 CB TYR A 52 4.439 -6.055 2.857 1.00 0.00 C ATOM 747 CG TYR A 52 5.322 -6.722 1.827 1.00 0.00 C ATOM 748 CD1 TYR A 52 6.562 -6.189 1.497 1.00 0.00 C ATOM 749 CD2 TYR A 52 4.917 -7.885 1.183 1.00 0.00 C ATOM 750 CE1 TYR A 52 7.373 -6.795 0.556 1.00 0.00 C ATOM 751 CE2 TYR A 52 5.721 -8.498 0.242 1.00 0.00 C ATOM 752 CZ TYR A 52 6.948 -7.950 -0.068 1.00 0.00 C ATOM 753 OH TYR A 52 7.751 -8.557 -1.006 1.00 0.00 O ATOM 0 H TYR A 52 2.501 -4.597 4.066 1.00 0.00 H new ATOM 0 HA TYR A 52 4.056 -4.390 1.552 1.00 0.00 H new ATOM 0 HB2 TYR A 52 5.068 -5.589 3.616 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.843 -6.816 3.360 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.898 -5.286 1.984 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.957 -8.317 1.423 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.334 -6.367 0.311 1.00 0.00 H new ATOM 0 HE2 TYR A 52 5.391 -9.402 -0.248 1.00 0.00 H new ATOM 0 HH TYR A 52 7.305 -9.360 -1.348 1.00 0.00 H new ATOM 763 N GLY A 53 2.057 -5.196 0.331 1.00 0.00 N ATOM 764 CA GLY A 53 0.978 -5.766 -0.454 1.00 0.00 C ATOM 765 C GLY A 53 1.394 -6.065 -1.880 1.00 0.00 C ATOM 766 O GLY A 53 2.534 -5.809 -2.267 1.00 0.00 O ATOM 0 H GLY A 53 2.549 -4.422 -0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.633 -6.685 0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.135 -5.076 -0.462 1.00 0.00 H new ATOM 770 N GLU A 54 0.468 -6.611 -2.663 1.00 0.00 N ATOM 771 CA GLU A 54 0.747 -6.948 -4.054 1.00 0.00 C ATOM 772 C GLU A 54 -0.128 -6.128 -4.998 1.00 0.00 C ATOM 773 O GLU A 54 -1.325 -5.958 -4.763 1.00 0.00 O ATOM 774 CB GLU A 54 0.518 -8.441 -4.297 1.00 0.00 C ATOM 775 CG GLU A 54 1.327 -9.001 -5.455 1.00 0.00 C ATOM 776 CD GLU A 54 0.752 -10.295 -5.996 1.00 0.00 C ATOM 777 OE1 GLU A 54 -0.466 -10.337 -6.266 1.00 0.00 O ATOM 778 OE2 GLU A 54 1.522 -11.267 -6.150 1.00 0.00 O ATOM 0 H GLU A 54 -0.481 -6.829 -2.358 1.00 0.00 H new ATOM 0 HA GLU A 54 1.792 -6.711 -4.256 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.769 -8.991 -3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.541 -8.611 -4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.367 -8.263 -6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.352 -9.172 -5.128 1.00 0.00 H new ATOM 785 N LEU A 55 0.478 -5.622 -6.067 1.00 0.00 N ATOM 786 CA LEU A 55 -0.245 -4.820 -7.048 1.00 0.00 C ATOM 787 C LEU A 55 0.263 -5.097 -8.459 1.00 0.00 C ATOM 788 O LEU A 55 1.468 -5.200 -8.686 1.00 0.00 O ATOM 789 CB LEU A 55 -0.100 -3.331 -6.724 1.00 0.00 C ATOM 790 CG LEU A 55 -0.480 -2.361 -7.843 1.00 0.00 C ATOM 791 CD1 LEU A 55 -1.988 -2.327 -8.031 1.00 0.00 C ATOM 792 CD2 LEU A 55 0.054 -0.968 -7.545 1.00 0.00 C ATOM 0 H LEU A 55 1.468 -5.753 -6.276 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.299 -5.095 -7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.715 -3.108 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.935 -3.140 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.027 -2.711 -8.771 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.239 -1.631 -8.832 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.345 -3.324 -8.291 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.463 -2.002 -7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.226 -0.291 -8.352 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.369 -0.609 -6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.140 -1.005 -7.462 1.00 0.00 H new ATOM 804 N ASN A 56 -0.664 -5.214 -9.404 1.00 0.00 N ATOM 805 CA ASN A 56 -0.310 -5.477 -10.794 1.00 0.00 C ATOM 806 C ASN A 56 0.771 -6.549 -10.886 1.00 0.00 C ATOM 807 O ASN A 56 1.662 -6.477 -11.731 1.00 0.00 O ATOM 808 CB ASN A 56 0.171 -4.192 -11.471 1.00 0.00 C ATOM 809 CG ASN A 56 -0.969 -3.398 -12.081 1.00 0.00 C ATOM 810 OD1 ASN A 56 -2.061 -3.924 -12.296 1.00 0.00 O ATOM 811 ND2 ASN A 56 -0.718 -2.125 -12.363 1.00 0.00 N ATOM 0 H ASN A 56 -1.666 -5.131 -9.233 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.200 -5.839 -11.308 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.691 -3.573 -10.741 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.893 -4.442 -12.249 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.446 -1.541 -12.775 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.202 -1.731 -12.168 1.00 0.00 H new ATOM 818 N GLY A 57 0.685 -7.546 -10.010 1.00 0.00 N ATOM 819 CA GLY A 57 1.661 -8.619 -10.009 1.00 0.00 C ATOM 820 C GLY A 57 3.016 -8.171 -9.499 1.00 0.00 C ATOM 821 O GLY A 57 4.049 -8.687 -9.926 1.00 0.00 O ATOM 0 H GLY A 57 -0.044 -7.629 -9.301 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.296 -9.438 -9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.768 -9.009 -11.021 1.00 0.00 H new ATOM 825 N GLN A 58 3.013 -7.207 -8.584 1.00 0.00 N ATOM 826 CA GLN A 58 4.252 -6.687 -8.018 1.00 0.00 C ATOM 827 C GLN A 58 4.171 -6.625 -6.496 1.00 0.00 C ATOM 828 O GLN A 58 3.173 -6.171 -5.935 1.00 0.00 O ATOM 829 CB GLN A 58 4.552 -5.297 -8.582 1.00 0.00 C ATOM 830 CG GLN A 58 5.211 -5.326 -9.951 1.00 0.00 C ATOM 831 CD GLN A 58 6.709 -5.546 -9.874 1.00 0.00 C ATOM 832 OE1 GLN A 58 7.445 -4.708 -9.351 1.00 0.00 O ATOM 833 NE2 GLN A 58 7.169 -6.676 -10.396 1.00 0.00 N ATOM 0 H GLN A 58 2.167 -6.770 -8.219 1.00 0.00 H new ATOM 0 HA GLN A 58 5.060 -7.365 -8.293 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.622 -4.732 -8.647 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.201 -4.764 -7.887 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.762 -6.119 -10.549 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.012 -4.386 -10.466 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.523 -7.342 -10.819 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.168 -6.878 -10.374 1.00 0.00 H new ATOM 842 N LYS A 59 5.227 -7.083 -5.833 1.00 0.00 N ATOM 843 CA LYS A 59 5.276 -7.079 -4.376 1.00 0.00 C ATOM 844 C LYS A 59 6.269 -6.039 -3.868 1.00 0.00 C ATOM 845 O LYS A 59 7.437 -6.040 -4.254 1.00 0.00 O ATOM 846 CB LYS A 59 5.663 -8.465 -3.854 1.00 0.00 C ATOM 847 CG LYS A 59 4.511 -9.456 -3.847 1.00 0.00 C ATOM 848 CD LYS A 59 4.879 -10.733 -3.110 1.00 0.00 C ATOM 849 CE LYS A 59 3.644 -11.545 -2.753 1.00 0.00 C ATOM 850 NZ LYS A 59 2.850 -10.900 -1.671 1.00 0.00 N ATOM 0 H LYS A 59 6.061 -7.462 -6.282 1.00 0.00 H new ATOM 0 HA LYS A 59 4.284 -6.821 -4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.470 -8.863 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.053 -8.367 -2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.641 -9.000 -3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.229 -9.695 -4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.544 -11.334 -3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.428 -10.485 -2.202 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.020 -11.666 -3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.945 -12.544 -2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.184 -11.591 -1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.491 -10.562 -0.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.320 -10.095 -2.062 1.00 0.00 H new ATOM 864 N GLY A 60 5.796 -5.151 -2.998 1.00 0.00 N ATOM 865 CA GLY A 60 6.656 -4.118 -2.451 1.00 0.00 C ATOM 866 C GLY A 60 6.086 -3.496 -1.192 1.00 0.00 C ATOM 867 O GLY A 60 5.372 -4.153 -0.433 1.00 0.00 O ATOM 0 H GLY A 60 4.833 -5.129 -2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.635 -4.543 -2.231 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.807 -3.341 -3.200 1.00 0.00 H new ATOM 871 N LEU A 61 6.402 -2.225 -0.966 1.00 0.00 N ATOM 872 CA LEU A 61 5.917 -1.514 0.211 1.00 0.00 C ATOM 873 C LEU A 61 4.921 -0.426 -0.181 1.00 0.00 C ATOM 874 O LEU A 61 5.017 0.157 -1.261 1.00 0.00 O ATOM 875 CB LEU A 61 7.089 -0.896 0.977 1.00 0.00 C ATOM 876 CG LEU A 61 7.992 -1.876 1.725 1.00 0.00 C ATOM 877 CD1 LEU A 61 9.242 -1.171 2.230 1.00 0.00 C ATOM 878 CD2 LEU A 61 7.239 -2.522 2.879 1.00 0.00 C ATOM 0 H LEU A 61 6.992 -1.666 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 61 5.408 -2.232 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.702 -0.334 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.690 -0.179 1.695 1.00 0.00 H new ATOM 0 HG LEU A 61 8.297 -2.660 1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.873 -1.884 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.793 -0.757 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.957 -0.366 2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.898 -3.217 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.904 -1.750 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.375 -3.062 2.492 1.00 0.00 H new ATOM 890 N VAL A 62 3.967 -0.158 0.705 1.00 0.00 N ATOM 891 CA VAL A 62 2.956 0.862 0.453 1.00 0.00 C ATOM 892 C VAL A 62 2.600 1.611 1.732 1.00 0.00 C ATOM 893 O VAL A 62 2.319 1.015 2.772 1.00 0.00 O ATOM 894 CB VAL A 62 1.675 0.247 -0.141 1.00 0.00 C ATOM 895 CG1 VAL A 62 1.892 -0.137 -1.597 1.00 0.00 C ATOM 896 CG2 VAL A 62 1.234 -0.958 0.676 1.00 0.00 C ATOM 0 H VAL A 62 3.873 -0.633 1.603 1.00 0.00 H new ATOM 0 HA VAL A 62 3.383 1.560 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 62 0.882 0.994 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.976 -0.570 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.157 0.750 -2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.698 -0.867 -1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.327 -1.380 0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.023 -1.710 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.035 -0.649 1.702 1.00 0.00 H new ATOM 906 N PRO A 63 2.612 2.950 1.656 1.00 0.00 N ATOM 907 CA PRO A 63 2.293 3.811 2.799 1.00 0.00 C ATOM 908 C PRO A 63 0.817 3.748 3.177 1.00 0.00 C ATOM 909 O PRO A 63 -0.052 4.123 2.390 1.00 0.00 O ATOM 910 CB PRO A 63 2.658 5.212 2.302 1.00 0.00 C ATOM 911 CG PRO A 63 2.540 5.129 0.819 1.00 0.00 C ATOM 912 CD PRO A 63 2.939 3.727 0.449 1.00 0.00 C ATOM 0 HA PRO A 63 2.830 3.510 3.698 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.985 5.965 2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.668 5.489 2.604 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.521 5.343 0.496 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.188 5.860 0.335 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.389 3.369 -0.421 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.999 3.662 0.204 1.00 0.00 H new ATOM 920 N SER A 64 0.540 3.271 4.387 1.00 0.00 N ATOM 921 CA SER A 64 -0.831 3.156 4.868 1.00 0.00 C ATOM 922 C SER A 64 -1.544 4.503 4.804 1.00 0.00 C ATOM 923 O SER A 64 -2.769 4.565 4.702 1.00 0.00 O ATOM 924 CB SER A 64 -0.848 2.624 6.303 1.00 0.00 C ATOM 925 OG SER A 64 -2.166 2.604 6.823 1.00 0.00 O ATOM 0 H SER A 64 1.248 2.958 5.052 1.00 0.00 H new ATOM 0 HA SER A 64 -1.359 2.454 4.222 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.429 1.618 6.326 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.214 3.248 6.933 1.00 0.00 H new ATOM 0 HG SER A 64 -2.151 2.259 7.740 1.00 0.00 H new ATOM 931 N ASN A 65 -0.768 5.580 4.865 1.00 0.00 N ATOM 932 CA ASN A 65 -1.324 6.927 4.815 1.00 0.00 C ATOM 933 C ASN A 65 -1.913 7.221 3.438 1.00 0.00 C ATOM 934 O ASN A 65 -2.555 8.252 3.233 1.00 0.00 O ATOM 935 CB ASN A 65 -0.246 7.959 5.151 1.00 0.00 C ATOM 936 CG ASN A 65 0.522 7.603 6.410 1.00 0.00 C ATOM 937 OD1 ASN A 65 1.511 6.871 6.361 1.00 0.00 O ATOM 938 ND2 ASN A 65 0.069 8.121 7.546 1.00 0.00 N ATOM 0 H ASN A 65 0.248 5.546 4.949 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.122 6.991 5.554 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.449 8.040 4.315 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.710 8.938 5.276 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.545 7.917 8.425 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.755 8.723 7.539 1.00 0.00 H new ATOM 945 N PHE A 66 -1.691 6.309 2.498 1.00 0.00 N ATOM 946 CA PHE A 66 -2.200 6.470 1.141 1.00 0.00 C ATOM 947 C PHE A 66 -3.107 5.304 0.758 1.00 0.00 C ATOM 948 O PHE A 66 -3.227 4.956 -0.417 1.00 0.00 O ATOM 949 CB PHE A 66 -1.040 6.576 0.149 1.00 0.00 C ATOM 950 CG PHE A 66 -0.147 7.758 0.394 1.00 0.00 C ATOM 951 CD1 PHE A 66 0.526 7.896 1.598 1.00 0.00 C ATOM 952 CD2 PHE A 66 0.019 8.731 -0.578 1.00 0.00 C ATOM 953 CE1 PHE A 66 1.349 8.983 1.827 1.00 0.00 C ATOM 954 CE2 PHE A 66 0.841 9.820 -0.354 1.00 0.00 C ATOM 955 CZ PHE A 66 1.506 9.946 0.850 1.00 0.00 C ATOM 0 H PHE A 66 -1.162 5.450 2.651 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.785 7.389 1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.445 5.664 0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.442 6.638 -0.862 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.406 7.146 2.366 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.499 8.638 -1.521 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.869 9.079 2.769 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.963 10.572 -1.120 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.148 10.796 1.027 1.00 0.00 H new ATOM 965 N LEU A 67 -3.743 4.705 1.758 1.00 0.00 N ATOM 966 CA LEU A 67 -4.640 3.577 1.528 1.00 0.00 C ATOM 967 C LEU A 67 -5.830 3.625 2.480 1.00 0.00 C ATOM 968 O LEU A 67 -5.779 4.280 3.520 1.00 0.00 O ATOM 969 CB LEU A 67 -3.886 2.257 1.701 1.00 0.00 C ATOM 970 CG LEU A 67 -2.472 2.211 1.122 1.00 0.00 C ATOM 971 CD1 LEU A 67 -1.739 0.968 1.602 1.00 0.00 C ATOM 972 CD2 LEU A 67 -2.516 2.252 -0.398 1.00 0.00 C ATOM 0 H LEU A 67 -3.655 4.981 2.736 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.013 3.644 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.829 2.031 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.473 1.463 1.238 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.928 3.088 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.734 0.952 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.675 0.981 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.282 0.079 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.500 2.218 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.078 1.395 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.001 3.172 -0.723 1.00 0.00 H new ATOM 984 N GLU A 68 -6.900 2.924 2.117 1.00 0.00 N ATOM 985 CA GLU A 68 -8.103 2.886 2.941 1.00 0.00 C ATOM 986 C GLU A 68 -8.798 1.532 2.826 1.00 0.00 C ATOM 987 O GLU A 68 -8.973 1.005 1.729 1.00 0.00 O ATOM 988 CB GLU A 68 -9.065 4.002 2.530 1.00 0.00 C ATOM 989 CG GLU A 68 -10.357 4.018 3.330 1.00 0.00 C ATOM 990 CD GLU A 68 -11.307 5.112 2.883 1.00 0.00 C ATOM 991 OE1 GLU A 68 -11.075 6.284 3.247 1.00 0.00 O ATOM 992 OE2 GLU A 68 -12.281 4.796 2.169 1.00 0.00 O ATOM 0 H GLU A 68 -6.958 2.375 1.259 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.807 3.036 3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.564 4.963 2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.304 3.893 1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.851 3.051 3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.124 4.153 4.386 1.00 0.00 H new ATOM 999 N GLU A 69 -9.192 0.977 3.969 1.00 0.00 N ATOM 1000 CA GLU A 69 -9.866 -0.315 3.996 1.00 0.00 C ATOM 1001 C GLU A 69 -11.141 -0.281 3.158 1.00 0.00 C ATOM 1002 O GLU A 69 -12.069 0.474 3.448 1.00 0.00 O ATOM 1003 CB GLU A 69 -10.200 -0.711 5.436 1.00 0.00 C ATOM 1004 CG GLU A 69 -11.076 -1.948 5.540 1.00 0.00 C ATOM 1005 CD GLU A 69 -11.632 -2.154 6.936 1.00 0.00 C ATOM 1006 OE1 GLU A 69 -12.538 -1.391 7.331 1.00 0.00 O ATOM 1007 OE2 GLU A 69 -11.161 -3.077 7.633 1.00 0.00 O ATOM 0 H GLU A 69 -9.056 1.402 4.886 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.191 -1.057 3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.272 -0.887 5.980 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.704 0.123 5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.901 -1.865 4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.496 -2.825 5.251 1.00 0.00 H new