USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 365 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 Set 1.1: A 4 CYS SG : rot -40:sc= 0.555 USER MOD Set 1.2: A 9 CYS SG : rot 124:sc= 0.0657! USER MOD Set 1.3: A 31 HIS : no HE2:sc= -3.19! C(o=-4!,f=-7.4!) USER MOD Set 1.4: A 34 CYS SG : rot 168:sc= -1.46 USER MOD Set 2.1: A 22 CYS SG : rot 154:sc= 1.4 USER MOD Set 2.2: A 26 CYS SG : rot -71:sc= -4.68! USER MOD Set 2.3: A 28 GLN :FLIP amide:sc= 0.22 F(o=-4.1,f=-3.4) USER MOD Set 2.4: A 49 CYS SG : rot -38:sc= 0.737 USER MOD Set 2.5: A 52 CYS SG : rot 150:sc= -1.1 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0177 F(o=-0.81,f=-0.018) USER MOD Single : A 21 GLN : amide:sc= 0.147 X(o=0.15,f=-0.18) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.119 K(o=-0.12,f=-3.1!) USER MOD Single : A 32 GLN : amide:sc= -1.14 K(o=-1.1,f=-3!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 48 N CYS A 4 7.213 -1.010 -5.203 1.00 0.00 N ATOM 49 CA CYS A 4 7.954 -1.288 -6.444 1.00 0.00 C ATOM 50 C CYS A 4 8.742 -0.036 -6.927 1.00 0.00 C ATOM 51 O CYS A 4 8.466 0.479 -8.009 1.00 0.00 O ATOM 52 CB CYS A 4 6.923 -1.768 -7.518 1.00 0.00 C ATOM 53 SG CYS A 4 7.506 -1.728 -9.237 1.00 0.00 S ATOM 0 HA CYS A 4 8.697 -2.066 -6.270 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.624 -2.788 -7.278 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.030 -1.148 -7.441 1.00 0.00 H new ATOM 0 HG CYS A 4 8.206 -0.650 -9.433 1.00 0.00 H new ATOM 58 N PRO A 5 9.769 0.463 -6.156 1.00 0.00 N ATOM 59 CA PRO A 5 10.481 1.742 -6.487 1.00 0.00 C ATOM 60 C PRO A 5 11.287 1.669 -7.816 1.00 0.00 C ATOM 61 O PRO A 5 11.437 2.681 -8.513 1.00 0.00 O ATOM 62 CB PRO A 5 11.409 1.962 -5.257 1.00 0.00 C ATOM 63 CG PRO A 5 11.645 0.585 -4.714 1.00 0.00 C ATOM 64 CD PRO A 5 10.346 -0.175 -4.934 1.00 0.00 C ATOM 0 HA PRO A 5 9.786 2.565 -6.657 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.345 2.440 -5.546 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.938 2.606 -4.515 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.474 0.099 -5.228 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.903 0.621 -3.656 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.525 -1.240 -5.084 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.677 -0.081 -4.079 1.00 0.00 H new ATOM 72 N ALA A 6 11.732 0.448 -8.159 1.00 0.00 N ATOM 73 CA ALA A 6 12.569 0.143 -9.346 1.00 0.00 C ATOM 74 C ALA A 6 13.813 1.071 -9.457 1.00 0.00 C ATOM 75 O ALA A 6 14.844 0.822 -8.823 1.00 0.00 O ATOM 76 CB ALA A 6 11.714 0.130 -10.637 1.00 0.00 C ATOM 0 H ALA A 6 11.517 -0.382 -7.606 1.00 0.00 H new ATOM 0 HA ALA A 6 12.970 -0.862 -9.213 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.350 -0.096 -11.493 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.938 -0.630 -10.552 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.251 1.107 -10.777 1.00 0.00 H new ATOM 82 N VAL A 7 13.687 2.137 -10.274 1.00 0.00 N ATOM 83 CA VAL A 7 14.679 3.219 -10.423 1.00 0.00 C ATOM 84 C VAL A 7 13.890 4.537 -10.286 1.00 0.00 C ATOM 85 O VAL A 7 14.157 5.374 -9.412 1.00 0.00 O ATOM 86 CB VAL A 7 15.423 3.154 -11.816 1.00 0.00 C ATOM 87 CG1 VAL A 7 16.435 4.312 -11.963 1.00 0.00 C ATOM 88 CG2 VAL A 7 16.114 1.780 -12.035 1.00 0.00 C ATOM 0 H VAL A 7 12.867 2.272 -10.866 1.00 0.00 H new ATOM 0 HA VAL A 7 15.459 3.131 -9.667 1.00 0.00 H new ATOM 0 HB VAL A 7 14.666 3.267 -12.592 1.00 0.00 H new ATOM 0 HG11 VAL A 7 16.931 4.241 -12.931 1.00 0.00 H new ATOM 0 HG12 VAL A 7 15.910 5.265 -11.893 1.00 0.00 H new ATOM 0 HG13 VAL A 7 17.179 4.248 -11.169 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.614 1.775 -13.003 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.848 1.612 -11.247 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.365 0.988 -12.009 1.00 0.00 H new ATOM 98 N SER A 8 12.891 4.675 -11.175 1.00 0.00 N ATOM 99 CA SER A 8 11.807 5.650 -11.052 1.00 0.00 C ATOM 100 C SER A 8 10.498 4.914 -11.383 1.00 0.00 C ATOM 101 O SER A 8 10.256 4.544 -12.542 1.00 0.00 O ATOM 102 CB SER A 8 12.027 6.861 -11.988 1.00 0.00 C ATOM 103 OG SER A 8 11.019 7.846 -11.801 1.00 0.00 O ATOM 0 H SER A 8 12.818 4.098 -12.013 1.00 0.00 H new ATOM 0 HA SER A 8 11.771 6.055 -10.040 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.007 7.299 -11.796 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.025 6.527 -13.026 1.00 0.00 H new ATOM 0 HG SER A 8 11.183 8.601 -12.404 1.00 0.00 H new ATOM 109 N CYS A 9 9.685 4.650 -10.352 1.00 0.00 N ATOM 110 CA CYS A 9 8.461 3.851 -10.481 1.00 0.00 C ATOM 111 C CYS A 9 7.318 4.682 -11.080 1.00 0.00 C ATOM 112 O CYS A 9 6.552 5.339 -10.355 1.00 0.00 O ATOM 113 CB CYS A 9 8.064 3.247 -9.118 1.00 0.00 C ATOM 114 SG CYS A 9 6.615 2.135 -9.183 1.00 0.00 S ATOM 0 H CYS A 9 9.858 4.985 -9.404 1.00 0.00 H new ATOM 0 HA CYS A 9 8.660 3.029 -11.169 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.914 2.695 -8.717 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.854 4.058 -8.421 1.00 0.00 H new ATOM 0 HG CYS A 9 6.937 0.974 -8.695 1.00 0.00 H new ATOM 119 N LEU A 10 7.258 4.697 -12.429 1.00 0.00 N ATOM 120 CA LEU A 10 6.120 5.253 -13.169 1.00 0.00 C ATOM 121 C LEU A 10 4.923 4.307 -12.988 1.00 0.00 C ATOM 122 O LEU A 10 4.959 3.170 -13.480 1.00 0.00 O ATOM 123 CB LEU A 10 6.466 5.417 -14.683 1.00 0.00 C ATOM 124 CG LEU A 10 7.741 6.256 -15.019 1.00 0.00 C ATOM 125 CD1 LEU A 10 7.924 6.421 -16.545 1.00 0.00 C ATOM 126 CD2 LEU A 10 7.726 7.629 -14.306 1.00 0.00 C ATOM 0 H LEU A 10 7.996 4.325 -13.027 1.00 0.00 H new ATOM 0 HA LEU A 10 5.877 6.243 -12.783 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.587 4.424 -15.115 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.613 5.879 -15.180 1.00 0.00 H new ATOM 0 HG LEU A 10 8.599 5.701 -14.641 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.820 7.009 -16.742 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.025 5.439 -17.008 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.056 6.931 -16.963 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.629 8.183 -14.564 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.850 8.194 -14.624 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.689 7.478 -13.227 1.00 0.00 H new ATOM 138 N GLN A 11 3.903 4.753 -12.229 1.00 0.00 N ATOM 139 CA GLN A 11 2.684 3.969 -11.955 1.00 0.00 C ATOM 140 C GLN A 11 1.498 4.558 -12.766 1.00 0.00 C ATOM 141 O GLN A 11 0.926 5.589 -12.393 1.00 0.00 O ATOM 142 CB GLN A 11 2.373 3.904 -10.419 1.00 0.00 C ATOM 143 CG GLN A 11 2.330 5.265 -9.678 1.00 0.00 C ATOM 144 CD GLN A 11 1.771 5.188 -8.249 1.00 0.00 C ATOM 145 OE1 GLN A 11 0.766 4.341 -8.027 1.00 0.00 O flip ATOM 146 NE2 GLN A 11 2.203 5.928 -7.364 1.00 0.00 N flip ATOM 0 H GLN A 11 3.902 5.672 -11.787 1.00 0.00 H new ATOM 0 HA GLN A 11 2.845 2.940 -12.276 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.412 3.408 -10.283 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.126 3.276 -9.942 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.338 5.677 -9.640 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.723 5.962 -10.256 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.973 6.566 -7.564 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.790 5.903 -6.432 1.00 0.00 H new ATOM 155 N PRO A 12 1.157 3.938 -13.937 1.00 0.00 N ATOM 156 CA PRO A 12 -0.031 4.321 -14.743 1.00 0.00 C ATOM 157 C PRO A 12 -1.346 3.792 -14.126 1.00 0.00 C ATOM 158 O PRO A 12 -1.369 3.307 -12.983 1.00 0.00 O ATOM 159 CB PRO A 12 0.271 3.660 -16.113 1.00 0.00 C ATOM 160 CG PRO A 12 1.042 2.432 -15.752 1.00 0.00 C ATOM 161 CD PRO A 12 1.913 2.837 -14.583 1.00 0.00 C ATOM 0 HA PRO A 12 -0.182 5.399 -14.804 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.645 3.414 -16.650 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.850 4.321 -16.758 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.375 1.614 -15.480 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.646 2.086 -16.591 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.072 2.005 -13.897 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.897 3.169 -14.914 1.00 0.00 H new ATOM 169 N GLU A 13 -2.442 3.923 -14.888 1.00 0.00 N ATOM 170 CA GLU A 13 -3.742 3.356 -14.515 1.00 0.00 C ATOM 171 C GLU A 13 -3.704 1.842 -14.748 1.00 0.00 C ATOM 172 O GLU A 13 -3.672 1.374 -15.895 1.00 0.00 O ATOM 173 CB GLU A 13 -4.880 4.026 -15.324 1.00 0.00 C ATOM 174 CG GLU A 13 -4.920 5.560 -15.206 1.00 0.00 C ATOM 175 CD GLU A 13 -5.061 6.074 -13.758 1.00 0.00 C ATOM 176 OE1 GLU A 13 -6.160 5.954 -13.174 1.00 0.00 O ATOM 177 OE2 GLU A 13 -4.077 6.614 -13.196 1.00 0.00 O ATOM 0 H GLU A 13 -2.450 4.424 -15.777 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.942 3.548 -13.461 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.771 3.756 -16.375 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.835 3.622 -14.989 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.009 5.971 -15.640 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.754 5.938 -15.798 1.00 0.00 H new ATOM 184 N GLY A 14 -3.657 1.100 -13.640 1.00 0.00 N ATOM 185 CA GLY A 14 -3.435 -0.350 -13.650 1.00 0.00 C ATOM 186 C GLY A 14 -4.684 -1.151 -13.970 1.00 0.00 C ATOM 187 O GLY A 14 -5.247 -1.820 -13.095 1.00 0.00 O ATOM 0 H GLY A 14 -3.772 1.489 -12.704 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.664 -0.587 -14.383 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.055 -0.658 -12.676 1.00 0.00 H new ATOM 191 N ASP A 15 -5.126 -1.061 -15.229 1.00 0.00 N ATOM 192 CA ASP A 15 -6.263 -1.834 -15.753 1.00 0.00 C ATOM 193 C ASP A 15 -5.744 -3.135 -16.384 1.00 0.00 C ATOM 194 O ASP A 15 -6.183 -4.235 -16.030 1.00 0.00 O ATOM 195 CB ASP A 15 -7.037 -1.011 -16.813 1.00 0.00 C ATOM 196 CG ASP A 15 -7.571 0.323 -16.270 1.00 0.00 C ATOM 197 OD1 ASP A 15 -8.707 0.356 -15.738 1.00 0.00 O ATOM 198 OD2 ASP A 15 -6.861 1.350 -16.374 1.00 0.00 O ATOM 0 H ASP A 15 -4.702 -0.444 -15.922 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.942 -2.067 -14.932 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.381 -0.814 -17.661 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.872 -1.604 -17.186 1.00 0.00 H new ATOM 203 N GLU A 16 -4.782 -2.968 -17.313 1.00 0.00 N ATOM 204 CA GLU A 16 -4.232 -4.049 -18.153 1.00 0.00 C ATOM 205 C GLU A 16 -2.767 -3.736 -18.557 1.00 0.00 C ATOM 206 O GLU A 16 -2.310 -4.122 -19.642 1.00 0.00 O ATOM 207 CB GLU A 16 -5.154 -4.254 -19.413 1.00 0.00 C ATOM 208 CG GLU A 16 -5.841 -2.971 -19.993 1.00 0.00 C ATOM 209 CD GLU A 16 -4.888 -1.812 -20.351 1.00 0.00 C ATOM 210 OE1 GLU A 16 -4.597 -0.960 -19.473 1.00 0.00 O ATOM 211 OE2 GLU A 16 -4.421 -1.745 -21.503 1.00 0.00 O ATOM 0 H GLU A 16 -4.358 -2.060 -17.504 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.216 -4.979 -17.585 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.556 -4.707 -20.203 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.933 -4.970 -19.153 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.397 -3.251 -20.888 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.568 -2.609 -19.266 1.00 0.00 H new ATOM 218 N VAL A 17 -2.037 -3.052 -17.655 1.00 0.00 N ATOM 219 CA VAL A 17 -0.631 -2.676 -17.888 1.00 0.00 C ATOM 220 C VAL A 17 0.257 -3.929 -17.886 1.00 0.00 C ATOM 221 O VAL A 17 0.223 -4.719 -16.935 1.00 0.00 O ATOM 222 CB VAL A 17 -0.107 -1.661 -16.810 1.00 0.00 C ATOM 223 CG1 VAL A 17 1.345 -1.191 -17.121 1.00 0.00 C ATOM 224 CG2 VAL A 17 -1.069 -0.458 -16.677 1.00 0.00 C ATOM 0 H VAL A 17 -2.402 -2.747 -16.753 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.583 -2.187 -18.861 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.079 -2.180 -15.852 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.673 -0.490 -16.353 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.012 -2.053 -17.133 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.368 -0.701 -18.094 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.687 0.232 -15.925 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.145 0.055 -17.636 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.055 -0.812 -16.376 1.00 0.00 H new ATOM 234 N ASP A 18 1.029 -4.099 -18.963 1.00 0.00 N ATOM 235 CA ASP A 18 1.883 -5.284 -19.164 1.00 0.00 C ATOM 236 C ASP A 18 3.144 -5.175 -18.292 1.00 0.00 C ATOM 237 O ASP A 18 3.775 -4.106 -18.216 1.00 0.00 O ATOM 238 CB ASP A 18 2.268 -5.450 -20.658 1.00 0.00 C ATOM 239 CG ASP A 18 3.027 -6.772 -20.946 1.00 0.00 C ATOM 240 OD1 ASP A 18 4.261 -6.828 -20.762 1.00 0.00 O ATOM 241 OD2 ASP A 18 2.387 -7.762 -21.354 1.00 0.00 O ATOM 0 H ASP A 18 1.083 -3.421 -19.723 1.00 0.00 H new ATOM 0 HA ASP A 18 1.319 -6.168 -18.866 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.364 -5.417 -21.266 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.889 -4.607 -20.963 1.00 0.00 H new ATOM 246 N TRP A 19 3.492 -6.290 -17.632 1.00 0.00 N ATOM 247 CA TRP A 19 4.614 -6.370 -16.681 1.00 0.00 C ATOM 248 C TRP A 19 5.738 -7.294 -17.219 1.00 0.00 C ATOM 249 O TRP A 19 5.578 -7.972 -18.233 1.00 0.00 O ATOM 250 CB TRP A 19 4.102 -6.862 -15.287 1.00 0.00 C ATOM 251 CG TRP A 19 3.319 -5.847 -14.462 1.00 0.00 C ATOM 252 CD1 TRP A 19 2.754 -4.667 -14.865 1.00 0.00 C ATOM 253 CD2 TRP A 19 3.016 -5.961 -13.069 1.00 0.00 C ATOM 254 NE1 TRP A 19 2.150 -4.042 -13.803 1.00 0.00 N ATOM 255 CE2 TRP A 19 2.293 -4.820 -12.690 1.00 0.00 C ATOM 256 CE3 TRP A 19 3.295 -6.923 -12.111 1.00 0.00 C ATOM 257 CZ2 TRP A 19 1.848 -4.616 -11.385 1.00 0.00 C ATOM 258 CZ3 TRP A 19 2.862 -6.730 -10.820 1.00 0.00 C ATOM 259 CH2 TRP A 19 2.143 -5.583 -10.461 1.00 0.00 C ATOM 0 H TRP A 19 2.996 -7.174 -17.745 1.00 0.00 H new ATOM 0 HA TRP A 19 5.039 -5.373 -16.563 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.471 -7.737 -15.443 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.962 -7.189 -14.702 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.780 -4.283 -15.874 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.672 -3.142 -13.839 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.846 -7.814 -12.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 1.293 -3.731 -11.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 3.080 -7.476 -10.070 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.816 -5.459 -9.439 1.00 0.00 H new ATOM 270 N VAL A 20 6.876 -7.290 -16.507 1.00 0.00 N ATOM 271 CA VAL A 20 8.065 -8.097 -16.812 1.00 0.00 C ATOM 272 C VAL A 20 8.772 -8.436 -15.481 1.00 0.00 C ATOM 273 O VAL A 20 9.160 -7.533 -14.726 1.00 0.00 O ATOM 274 CB VAL A 20 9.045 -7.366 -17.831 1.00 0.00 C ATOM 275 CG1 VAL A 20 9.422 -5.925 -17.376 1.00 0.00 C ATOM 276 CG2 VAL A 20 10.315 -8.222 -18.107 1.00 0.00 C ATOM 0 H VAL A 20 6.996 -6.707 -15.679 1.00 0.00 H new ATOM 0 HA VAL A 20 7.758 -9.016 -17.311 1.00 0.00 H new ATOM 0 HB VAL A 20 8.496 -7.262 -18.767 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.092 -5.476 -18.109 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.518 -5.322 -17.292 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.920 -5.968 -16.408 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.964 -7.695 -18.807 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.850 -8.391 -17.173 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.022 -9.180 -18.536 1.00 0.00 H new ATOM 286 N GLN A 21 8.878 -9.738 -15.170 1.00 0.00 N ATOM 287 CA GLN A 21 9.518 -10.217 -13.933 1.00 0.00 C ATOM 288 C GLN A 21 11.049 -10.135 -14.055 1.00 0.00 C ATOM 289 O GLN A 21 11.606 -10.326 -15.148 1.00 0.00 O ATOM 290 CB GLN A 21 9.072 -11.672 -13.618 1.00 0.00 C ATOM 291 CG GLN A 21 9.545 -12.205 -12.242 1.00 0.00 C ATOM 292 CD GLN A 21 9.009 -13.597 -11.880 1.00 0.00 C ATOM 293 OE1 GLN A 21 8.775 -14.439 -12.745 1.00 0.00 O ATOM 294 NE2 GLN A 21 8.796 -13.844 -10.593 1.00 0.00 N ATOM 0 H GLN A 21 8.524 -10.486 -15.766 1.00 0.00 H new ATOM 0 HA GLN A 21 9.203 -9.576 -13.110 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.984 -11.722 -13.658 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.450 -12.332 -14.399 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.635 -12.236 -12.233 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.240 -11.500 -11.469 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.999 -13.128 -9.896 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.430 -14.750 -10.301 1.00 0.00 H new ATOM 303 N CYS A 22 11.721 -9.842 -12.933 1.00 0.00 N ATOM 304 CA CYS A 22 13.188 -9.755 -12.890 1.00 0.00 C ATOM 305 C CYS A 22 13.834 -11.134 -12.904 1.00 0.00 C ATOM 306 O CYS A 22 13.510 -11.999 -12.079 1.00 0.00 O ATOM 307 CB CYS A 22 13.675 -8.997 -11.654 1.00 0.00 C ATOM 308 SG CYS A 22 15.489 -8.912 -11.520 1.00 0.00 S ATOM 0 H CYS A 22 11.268 -9.660 -12.037 1.00 0.00 H new ATOM 0 HA CYS A 22 13.485 -9.209 -13.786 1.00 0.00 H new ATOM 0 HB2 CYS A 22 13.273 -7.984 -11.677 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.275 -9.479 -10.762 1.00 0.00 H new ATOM 0 HG CYS A 22 15.825 -7.856 -10.840 1.00 0.00 H new ATOM 313 N ASP A 23 14.787 -11.311 -13.833 1.00 0.00 N ATOM 314 CA ASP A 23 15.648 -12.492 -13.888 1.00 0.00 C ATOM 315 C ASP A 23 16.857 -12.238 -12.982 1.00 0.00 C ATOM 316 O ASP A 23 17.916 -11.777 -13.424 1.00 0.00 O ATOM 317 CB ASP A 23 16.072 -12.796 -15.343 1.00 0.00 C ATOM 318 CG ASP A 23 16.640 -14.212 -15.537 1.00 0.00 C ATOM 319 OD1 ASP A 23 15.845 -15.152 -15.768 1.00 0.00 O ATOM 320 OD2 ASP A 23 17.870 -14.400 -15.458 1.00 0.00 O ATOM 0 H ASP A 23 14.979 -10.632 -14.569 1.00 0.00 H new ATOM 0 HA ASP A 23 15.110 -13.372 -13.534 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.210 -12.667 -15.998 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.821 -12.068 -15.654 1.00 0.00 H new ATOM 325 N GLY A 24 16.620 -12.414 -11.684 1.00 0.00 N ATOM 326 CA GLY A 24 17.662 -12.295 -10.673 1.00 0.00 C ATOM 327 C GLY A 24 17.161 -12.680 -9.302 1.00 0.00 C ATOM 328 O GLY A 24 15.975 -13.003 -9.149 1.00 0.00 O ATOM 0 H GLY A 24 15.701 -12.643 -11.306 1.00 0.00 H new ATOM 0 HA2 GLY A 24 18.505 -12.931 -10.944 1.00 0.00 H new ATOM 0 HA3 GLY A 24 18.031 -11.270 -10.650 1.00 0.00 H new ATOM 332 N SER A 25 18.044 -12.593 -8.293 1.00 0.00 N ATOM 333 CA SER A 25 17.745 -13.006 -6.914 1.00 0.00 C ATOM 334 C SER A 25 16.936 -11.905 -6.205 1.00 0.00 C ATOM 335 O SER A 25 17.464 -11.140 -5.385 1.00 0.00 O ATOM 336 CB SER A 25 19.053 -13.344 -6.162 1.00 0.00 C ATOM 337 OG SER A 25 18.803 -13.814 -4.844 1.00 0.00 O ATOM 0 H SER A 25 18.990 -12.232 -8.413 1.00 0.00 H new ATOM 0 HA SER A 25 17.136 -13.910 -6.925 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.606 -14.101 -6.718 1.00 0.00 H new ATOM 0 HB3 SER A 25 19.685 -12.457 -6.117 1.00 0.00 H new ATOM 0 HG SER A 25 19.654 -14.018 -4.403 1.00 0.00 H new ATOM 343 N CYS A 26 15.656 -11.815 -6.599 1.00 0.00 N ATOM 344 CA CYS A 26 14.668 -10.881 -6.030 1.00 0.00 C ATOM 345 C CYS A 26 13.277 -11.192 -6.615 1.00 0.00 C ATOM 346 O CYS A 26 12.260 -11.078 -5.914 1.00 0.00 O ATOM 347 CB CYS A 26 15.046 -9.401 -6.291 1.00 0.00 C ATOM 348 SG CYS A 26 14.574 -8.759 -7.922 1.00 0.00 S ATOM 0 H CYS A 26 15.269 -12.402 -7.338 1.00 0.00 H new ATOM 0 HA CYS A 26 14.655 -11.019 -4.949 1.00 0.00 H new ATOM 0 HB2 CYS A 26 14.578 -8.783 -5.525 1.00 0.00 H new ATOM 0 HB3 CYS A 26 16.124 -9.292 -6.173 1.00 0.00 H new ATOM 0 HG CYS A 26 15.327 -9.297 -8.835 1.00 0.00 H new ATOM 353 N ASN A 27 13.256 -11.556 -7.932 1.00 0.00 N ATOM 354 CA ASN A 27 12.048 -12.023 -8.672 1.00 0.00 C ATOM 355 C ASN A 27 10.922 -10.956 -8.741 1.00 0.00 C ATOM 356 O ASN A 27 9.773 -11.282 -9.061 1.00 0.00 O ATOM 357 CB ASN A 27 11.498 -13.361 -8.069 1.00 0.00 C ATOM 358 CG ASN A 27 12.482 -14.531 -8.116 1.00 0.00 C ATOM 359 OD1 ASN A 27 13.697 -14.349 -8.062 1.00 0.00 O ATOM 360 ND2 ASN A 27 11.964 -15.752 -8.191 1.00 0.00 N ATOM 0 H ASN A 27 14.092 -11.532 -8.516 1.00 0.00 H new ATOM 0 HA ASN A 27 12.374 -12.202 -9.696 1.00 0.00 H new ATOM 0 HB2 ASN A 27 11.211 -13.186 -7.032 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.593 -13.642 -8.608 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.578 -16.566 -8.205 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.952 -15.875 -8.235 1.00 0.00 H new ATOM 367 N GLN A 28 11.272 -9.688 -8.474 1.00 0.00 N ATOM 368 CA GLN A 28 10.308 -8.570 -8.446 1.00 0.00 C ATOM 369 C GLN A 28 9.855 -8.193 -9.872 1.00 0.00 C ATOM 370 O GLN A 28 10.676 -8.115 -10.798 1.00 0.00 O ATOM 371 CB GLN A 28 10.925 -7.354 -7.709 1.00 0.00 C ATOM 372 CG GLN A 28 12.173 -6.748 -8.393 1.00 0.00 C ATOM 373 CD GLN A 28 12.981 -5.764 -7.537 1.00 0.00 C ATOM 374 OE1 GLN A 28 12.324 -5.069 -6.628 1.00 0.00 O flip ATOM 375 NE2 GLN A 28 14.199 -5.638 -7.705 1.00 0.00 N flip ATOM 0 H GLN A 28 12.231 -9.406 -8.271 1.00 0.00 H new ATOM 0 HA GLN A 28 9.421 -8.888 -7.898 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.165 -6.578 -7.618 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.194 -7.658 -6.697 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.830 -7.562 -8.698 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.856 -6.237 -9.302 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.676 -6.191 -8.417 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.728 -4.981 -7.131 1.00 0.00 H new ATOM 384 N TRP A 29 8.540 -8.013 -10.031 1.00 0.00 N ATOM 385 CA TRP A 29 7.911 -7.631 -11.301 1.00 0.00 C ATOM 386 C TRP A 29 8.015 -6.112 -11.530 1.00 0.00 C ATOM 387 O TRP A 29 8.145 -5.331 -10.575 1.00 0.00 O ATOM 388 CB TRP A 29 6.429 -8.080 -11.298 1.00 0.00 C ATOM 389 CG TRP A 29 6.240 -9.580 -11.327 1.00 0.00 C ATOM 390 CD1 TRP A 29 6.507 -10.473 -10.328 1.00 0.00 C ATOM 391 CD2 TRP A 29 5.741 -10.350 -12.422 1.00 0.00 C ATOM 392 NE1 TRP A 29 6.218 -11.746 -10.744 1.00 0.00 N ATOM 393 CE2 TRP A 29 5.742 -11.696 -12.027 1.00 0.00 C ATOM 394 CE3 TRP A 29 5.296 -10.019 -13.700 1.00 0.00 C ATOM 395 CZ2 TRP A 29 5.317 -12.722 -12.871 1.00 0.00 C ATOM 396 CZ3 TRP A 29 4.873 -11.032 -14.541 1.00 0.00 C ATOM 397 CH2 TRP A 29 4.879 -12.371 -14.121 1.00 0.00 C ATOM 0 H TRP A 29 7.872 -8.130 -9.270 1.00 0.00 H new ATOM 0 HA TRP A 29 8.435 -8.127 -12.118 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.941 -7.680 -10.409 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.926 -7.644 -12.161 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.890 -10.213 -9.352 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.338 -12.593 -10.189 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.282 -8.990 -14.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.333 -13.754 -12.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 4.533 -10.789 -15.537 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.532 -13.139 -14.796 1.00 0.00 H new ATOM 408 N PHE A 30 7.963 -5.710 -12.803 1.00 0.00 N ATOM 409 CA PHE A 30 8.030 -4.296 -13.221 1.00 0.00 C ATOM 410 C PHE A 30 7.021 -4.049 -14.343 1.00 0.00 C ATOM 411 O PHE A 30 6.965 -4.827 -15.277 1.00 0.00 O ATOM 412 CB PHE A 30 9.442 -3.948 -13.767 1.00 0.00 C ATOM 413 CG PHE A 30 10.580 -4.155 -12.783 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.792 -3.255 -11.748 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.450 -5.235 -12.911 1.00 0.00 C ATOM 416 CE1 PHE A 30 11.835 -3.429 -10.867 1.00 0.00 C ATOM 417 CE2 PHE A 30 12.490 -5.406 -12.024 1.00 0.00 C ATOM 418 CZ PHE A 30 12.685 -4.498 -11.009 1.00 0.00 C ATOM 0 H PHE A 30 7.872 -6.359 -13.585 1.00 0.00 H new ATOM 0 HA PHE A 30 7.809 -3.676 -12.352 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.632 -4.555 -14.652 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.444 -2.906 -14.088 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.131 -2.409 -11.633 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.308 -5.945 -13.713 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.985 -2.724 -10.063 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.152 -6.253 -12.125 1.00 0.00 H new ATOM 0 HZ PHE A 30 13.509 -4.626 -10.322 1.00 0.00 H new ATOM 428 N HIS A 31 6.254 -2.957 -14.251 1.00 0.00 N ATOM 429 CA HIS A 31 5.481 -2.415 -15.409 1.00 0.00 C ATOM 430 C HIS A 31 6.497 -2.004 -16.492 1.00 0.00 C ATOM 431 O HIS A 31 7.619 -1.586 -16.151 1.00 0.00 O ATOM 432 CB HIS A 31 4.548 -1.201 -14.998 1.00 0.00 C ATOM 433 CG HIS A 31 4.514 -0.912 -13.518 1.00 0.00 C ATOM 434 ND1 HIS A 31 4.178 -1.850 -12.584 1.00 0.00 N ATOM 435 CD2 HIS A 31 5.074 0.096 -12.839 1.00 0.00 C ATOM 436 CE1 HIS A 31 4.586 -1.395 -11.396 1.00 0.00 C ATOM 437 NE2 HIS A 31 5.165 -0.209 -11.496 1.00 0.00 N ATOM 0 H HIS A 31 6.142 -2.420 -13.391 1.00 0.00 H new ATOM 0 HA HIS A 31 4.807 -3.183 -15.789 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.885 -0.307 -15.522 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.533 -1.407 -15.339 1.00 0.00 H new ATOM 0 HD1 HIS A 31 3.703 -2.735 -12.761 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.409 1.022 -13.282 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.459 -1.930 -10.467 1.00 0.00 H new ATOM 445 N GLN A 32 6.134 -2.159 -17.781 1.00 0.00 N ATOM 446 CA GLN A 32 7.013 -1.767 -18.906 1.00 0.00 C ATOM 447 C GLN A 32 7.544 -0.336 -18.724 1.00 0.00 C ATOM 448 O GLN A 32 8.749 -0.095 -18.789 1.00 0.00 O ATOM 449 CB GLN A 32 6.258 -1.859 -20.250 1.00 0.00 C ATOM 450 CG GLN A 32 6.098 -3.285 -20.808 1.00 0.00 C ATOM 451 CD GLN A 32 5.365 -3.306 -22.145 1.00 0.00 C ATOM 452 OE1 GLN A 32 5.360 -2.319 -22.881 1.00 0.00 O ATOM 453 NE2 GLN A 32 4.795 -4.436 -22.506 1.00 0.00 N ATOM 0 H GLN A 32 5.239 -2.553 -18.071 1.00 0.00 H new ATOM 0 HA GLN A 32 7.855 -2.460 -18.915 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.268 -1.421 -20.125 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.784 -1.253 -20.988 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.082 -3.738 -20.929 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.553 -3.895 -20.088 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.813 -5.240 -21.878 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.335 -4.508 -23.414 1.00 0.00 H new ATOM 462 N VAL A 33 6.614 0.584 -18.434 1.00 0.00 N ATOM 463 CA VAL A 33 6.905 2.019 -18.276 1.00 0.00 C ATOM 464 C VAL A 33 7.779 2.311 -17.030 1.00 0.00 C ATOM 465 O VAL A 33 8.497 3.311 -16.992 1.00 0.00 O ATOM 466 CB VAL A 33 5.570 2.844 -18.211 1.00 0.00 C ATOM 467 CG1 VAL A 33 4.688 2.574 -19.458 1.00 0.00 C ATOM 468 CG2 VAL A 33 4.780 2.558 -16.900 1.00 0.00 C ATOM 0 H VAL A 33 5.629 0.353 -18.301 1.00 0.00 H new ATOM 0 HA VAL A 33 7.478 2.328 -19.150 1.00 0.00 H new ATOM 0 HB VAL A 33 5.840 3.900 -18.207 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.770 3.157 -19.388 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.232 2.861 -20.358 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.441 1.513 -19.506 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.863 3.147 -16.892 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.531 1.498 -16.849 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.392 2.828 -16.040 1.00 0.00 H new ATOM 478 N CYS A 34 7.711 1.417 -16.016 1.00 0.00 N ATOM 479 CA CYS A 34 8.507 1.541 -14.759 1.00 0.00 C ATOM 480 C CYS A 34 10.018 1.538 -15.040 1.00 0.00 C ATOM 481 O CYS A 34 10.794 2.198 -14.350 1.00 0.00 O ATOM 482 CB CYS A 34 8.186 0.371 -13.814 1.00 0.00 C ATOM 483 SG CYS A 34 8.641 0.618 -12.069 1.00 0.00 S ATOM 0 H CYS A 34 7.110 0.593 -16.039 1.00 0.00 H new ATOM 0 HA CYS A 34 8.236 2.491 -14.298 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.116 0.169 -13.866 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.697 -0.519 -14.181 1.00 0.00 H new ATOM 0 HG CYS A 34 8.097 -0.313 -11.343 1.00 0.00 H new ATOM 488 N VAL A 35 10.408 0.753 -16.051 1.00 0.00 N ATOM 489 CA VAL A 35 11.814 0.535 -16.441 1.00 0.00 C ATOM 490 C VAL A 35 12.080 0.999 -17.889 1.00 0.00 C ATOM 491 O VAL A 35 13.224 0.960 -18.355 1.00 0.00 O ATOM 492 CB VAL A 35 12.188 -0.985 -16.245 1.00 0.00 C ATOM 493 CG1 VAL A 35 12.258 -1.339 -14.734 1.00 0.00 C ATOM 494 CG2 VAL A 35 11.180 -1.917 -16.980 1.00 0.00 C ATOM 0 H VAL A 35 9.747 0.240 -16.634 1.00 0.00 H new ATOM 0 HA VAL A 35 12.452 1.140 -15.796 1.00 0.00 H new ATOM 0 HB VAL A 35 13.172 -1.146 -16.686 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.517 -2.391 -14.618 1.00 0.00 H new ATOM 0 HG12 VAL A 35 13.017 -0.723 -14.251 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.289 -1.151 -14.271 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.466 -2.957 -16.825 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.178 -1.754 -16.584 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.189 -1.693 -18.047 1.00 0.00 H new ATOM 504 N GLY A 36 11.007 1.443 -18.584 1.00 0.00 N ATOM 505 CA GLY A 36 11.087 1.974 -19.954 1.00 0.00 C ATOM 506 C GLY A 36 11.544 0.954 -20.996 1.00 0.00 C ATOM 507 O GLY A 36 12.332 1.286 -21.890 1.00 0.00 O ATOM 0 H GLY A 36 10.060 1.441 -18.204 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.107 2.356 -20.241 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.774 2.820 -19.964 1.00 0.00 H new ATOM 511 N VAL A 37 11.068 -0.297 -20.871 1.00 0.00 N ATOM 512 CA VAL A 37 11.443 -1.403 -21.774 1.00 0.00 C ATOM 513 C VAL A 37 10.236 -1.771 -22.663 1.00 0.00 C ATOM 514 O VAL A 37 9.119 -1.943 -22.166 1.00 0.00 O ATOM 515 CB VAL A 37 11.947 -2.663 -20.969 1.00 0.00 C ATOM 516 CG1 VAL A 37 12.365 -3.818 -21.912 1.00 0.00 C ATOM 517 CG2 VAL A 37 13.115 -2.298 -20.022 1.00 0.00 C ATOM 0 H VAL A 37 10.411 -0.572 -20.140 1.00 0.00 H new ATOM 0 HA VAL A 37 12.269 -1.071 -22.403 1.00 0.00 H new ATOM 0 HB VAL A 37 11.107 -3.007 -20.365 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.706 -4.667 -21.319 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.511 -4.119 -22.519 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.173 -3.482 -22.563 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.438 -3.188 -19.483 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.948 -1.905 -20.606 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.783 -1.543 -19.309 1.00 0.00 H new ATOM 527 N SER A 38 10.489 -1.883 -23.979 1.00 0.00 N ATOM 528 CA SER A 38 9.469 -2.192 -25.001 1.00 0.00 C ATOM 529 C SER A 38 8.951 -3.645 -24.846 1.00 0.00 C ATOM 530 O SER A 38 9.725 -4.500 -24.407 1.00 0.00 O ATOM 531 CB SER A 38 10.100 -1.979 -26.396 1.00 0.00 C ATOM 532 OG SER A 38 10.696 -0.693 -26.501 1.00 0.00 O ATOM 0 H SER A 38 11.423 -1.760 -24.370 1.00 0.00 H new ATOM 0 HA SER A 38 8.612 -1.530 -24.877 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.852 -2.747 -26.579 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.335 -2.092 -27.165 1.00 0.00 H new ATOM 0 HG SER A 38 11.089 -0.586 -27.393 1.00 0.00 H new ATOM 538 N PRO A 39 7.640 -3.943 -25.209 1.00 0.00 N ATOM 539 CA PRO A 39 7.020 -5.292 -25.057 1.00 0.00 C ATOM 540 C PRO A 39 7.904 -6.453 -25.557 1.00 0.00 C ATOM 541 O PRO A 39 8.182 -7.399 -24.813 1.00 0.00 O ATOM 542 CB PRO A 39 5.728 -5.186 -25.913 1.00 0.00 C ATOM 543 CG PRO A 39 5.343 -3.747 -25.836 1.00 0.00 C ATOM 544 CD PRO A 39 6.651 -2.972 -25.775 1.00 0.00 C ATOM 0 HA PRO A 39 6.851 -5.528 -24.006 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.909 -5.494 -26.943 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.939 -5.829 -25.522 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.754 -3.453 -26.705 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.731 -3.552 -24.955 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.954 -2.628 -26.764 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.559 -2.088 -25.145 1.00 0.00 H new ATOM 552 N GLU A 40 8.373 -6.336 -26.811 1.00 0.00 N ATOM 553 CA GLU A 40 9.162 -7.387 -27.482 1.00 0.00 C ATOM 554 C GLU A 40 10.552 -7.554 -26.838 1.00 0.00 C ATOM 555 O GLU A 40 11.045 -8.675 -26.713 1.00 0.00 O ATOM 556 CB GLU A 40 9.293 -7.055 -28.987 1.00 0.00 C ATOM 557 CG GLU A 40 7.943 -6.962 -29.733 1.00 0.00 C ATOM 558 CD GLU A 40 8.084 -6.437 -31.174 1.00 0.00 C ATOM 559 OE1 GLU A 40 8.569 -7.188 -32.047 1.00 0.00 O ATOM 560 OE2 GLU A 40 7.714 -5.272 -31.440 1.00 0.00 O ATOM 0 H GLU A 40 8.217 -5.510 -27.389 1.00 0.00 H new ATOM 0 HA GLU A 40 8.638 -8.336 -27.366 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.821 -6.108 -29.094 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.908 -7.818 -29.464 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.479 -7.948 -29.756 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.272 -6.306 -29.178 1.00 0.00 H new ATOM 567 N MET A 41 11.164 -6.428 -26.403 1.00 0.00 N ATOM 568 CA MET A 41 12.501 -6.441 -25.749 1.00 0.00 C ATOM 569 C MET A 41 12.410 -7.017 -24.329 1.00 0.00 C ATOM 570 O MET A 41 13.350 -7.640 -23.846 1.00 0.00 O ATOM 571 CB MET A 41 13.123 -5.014 -25.702 1.00 0.00 C ATOM 572 CG MET A 41 13.352 -4.378 -27.076 1.00 0.00 C ATOM 573 SD MET A 41 14.239 -2.803 -26.984 1.00 0.00 S ATOM 574 CE MET A 41 14.191 -2.250 -28.692 1.00 0.00 C ATOM 0 H MET A 41 10.756 -5.497 -26.491 1.00 0.00 H new ATOM 0 HA MET A 41 13.150 -7.080 -26.348 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.469 -4.365 -25.119 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.076 -5.063 -25.175 1.00 0.00 H new ATOM 0 HG2 MET A 41 13.915 -5.070 -27.702 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.389 -4.219 -27.562 1.00 0.00 H new ATOM 0 HE1 MET A 41 14.702 -1.291 -28.778 1.00 0.00 H new ATOM 0 HE2 MET A 41 14.688 -2.984 -29.326 1.00 0.00 H new ATOM 0 HE3 MET A 41 13.154 -2.139 -29.009 1.00 0.00 H new ATOM 584 N ALA A 42 11.258 -6.800 -23.679 1.00 0.00 N ATOM 585 CA ALA A 42 10.998 -7.269 -22.306 1.00 0.00 C ATOM 586 C ALA A 42 10.658 -8.770 -22.296 1.00 0.00 C ATOM 587 O ALA A 42 11.005 -9.492 -21.355 1.00 0.00 O ATOM 588 CB ALA A 42 9.860 -6.440 -21.681 1.00 0.00 C ATOM 0 H ALA A 42 10.475 -6.292 -24.091 1.00 0.00 H new ATOM 0 HA ALA A 42 11.899 -7.132 -21.709 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.670 -6.789 -20.666 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.147 -5.389 -21.655 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.956 -6.554 -22.279 1.00 0.00 H new ATOM 594 N GLU A 43 9.984 -9.222 -23.367 1.00 0.00 N ATOM 595 CA GLU A 43 9.566 -10.623 -23.528 1.00 0.00 C ATOM 596 C GLU A 43 10.772 -11.499 -23.928 1.00 0.00 C ATOM 597 O GLU A 43 10.943 -12.617 -23.423 1.00 0.00 O ATOM 598 CB GLU A 43 8.449 -10.716 -24.600 1.00 0.00 C ATOM 599 CG GLU A 43 7.773 -12.099 -24.692 1.00 0.00 C ATOM 600 CD GLU A 43 6.774 -12.212 -25.851 1.00 0.00 C ATOM 601 OE1 GLU A 43 5.615 -11.761 -25.713 1.00 0.00 O ATOM 602 OE2 GLU A 43 7.149 -12.753 -26.916 1.00 0.00 O ATOM 0 H GLU A 43 9.713 -8.623 -24.147 1.00 0.00 H new ATOM 0 HA GLU A 43 9.176 -10.990 -22.579 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.688 -9.966 -24.382 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.873 -10.466 -25.573 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.541 -12.864 -24.808 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.256 -12.306 -23.755 1.00 0.00 H new ATOM 609 N LYS A 44 11.596 -10.962 -24.848 1.00 0.00 N ATOM 610 CA LYS A 44 12.807 -11.636 -25.353 1.00 0.00 C ATOM 611 C LYS A 44 13.899 -11.654 -24.276 1.00 0.00 C ATOM 612 O LYS A 44 14.349 -12.717 -23.845 1.00 0.00 O ATOM 613 CB LYS A 44 13.331 -10.892 -26.605 1.00 0.00 C ATOM 614 CG LYS A 44 14.615 -11.492 -27.213 1.00 0.00 C ATOM 615 CD LYS A 44 15.201 -10.605 -28.328 1.00 0.00 C ATOM 616 CE LYS A 44 16.474 -11.206 -28.936 1.00 0.00 C ATOM 617 NZ LYS A 44 17.046 -10.346 -30.009 1.00 0.00 N ATOM 0 H LYS A 44 11.439 -10.044 -25.264 1.00 0.00 H new ATOM 0 HA LYS A 44 12.552 -12.663 -25.614 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.550 -10.891 -27.365 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.520 -9.851 -26.341 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.359 -11.624 -26.428 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.397 -12.481 -27.615 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.455 -10.469 -29.111 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.424 -9.617 -27.925 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.217 -11.348 -28.151 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.249 -12.192 -29.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.905 -10.792 -30.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.348 -10.231 -30.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.286 -9.414 -29.616 1.00 0.00 H new ATOM 631 N GLU A 45 14.278 -10.451 -23.823 1.00 0.00 N ATOM 632 CA GLU A 45 15.351 -10.264 -22.844 1.00 0.00 C ATOM 633 C GLU A 45 14.724 -10.016 -21.473 1.00 0.00 C ATOM 634 O GLU A 45 14.120 -8.960 -21.237 1.00 0.00 O ATOM 635 CB GLU A 45 16.275 -9.088 -23.262 1.00 0.00 C ATOM 636 CG GLU A 45 16.888 -9.242 -24.670 1.00 0.00 C ATOM 637 CD GLU A 45 17.886 -8.125 -25.023 1.00 0.00 C ATOM 638 OE1 GLU A 45 17.467 -7.070 -25.556 1.00 0.00 O ATOM 639 OE2 GLU A 45 19.105 -8.295 -24.767 1.00 0.00 O ATOM 0 H GLU A 45 13.846 -9.579 -24.128 1.00 0.00 H new ATOM 0 HA GLU A 45 15.971 -11.160 -22.798 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.704 -8.160 -23.225 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.081 -8.996 -22.534 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.393 -10.206 -24.736 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.087 -9.251 -25.409 1.00 0.00 H new ATOM 646 N ASP A 46 14.807 -11.041 -20.615 1.00 0.00 N ATOM 647 CA ASP A 46 14.388 -10.965 -19.209 1.00 0.00 C ATOM 648 C ASP A 46 15.131 -9.821 -18.498 1.00 0.00 C ATOM 649 O ASP A 46 16.354 -9.909 -18.311 1.00 0.00 O ATOM 650 CB ASP A 46 14.701 -12.303 -18.499 1.00 0.00 C ATOM 651 CG ASP A 46 13.933 -13.510 -19.056 1.00 0.00 C ATOM 652 OD1 ASP A 46 14.317 -14.030 -20.127 1.00 0.00 O ATOM 653 OD2 ASP A 46 12.944 -13.948 -18.428 1.00 0.00 O ATOM 0 H ASP A 46 15.171 -11.956 -20.880 1.00 0.00 H new ATOM 0 HA ASP A 46 13.316 -10.774 -19.169 1.00 0.00 H new ATOM 0 HB2 ASP A 46 15.770 -12.500 -18.577 1.00 0.00 H new ATOM 0 HB3 ASP A 46 14.472 -12.200 -17.438 1.00 0.00 H new ATOM 658 N TYR A 47 14.401 -8.740 -18.146 1.00 0.00 N ATOM 659 CA TYR A 47 14.999 -7.561 -17.499 1.00 0.00 C ATOM 660 C TYR A 47 15.608 -7.937 -16.130 1.00 0.00 C ATOM 661 O TYR A 47 14.889 -8.291 -15.186 1.00 0.00 O ATOM 662 CB TYR A 47 13.964 -6.405 -17.347 1.00 0.00 C ATOM 663 CG TYR A 47 14.515 -5.181 -16.576 1.00 0.00 C ATOM 664 CD1 TYR A 47 15.400 -4.277 -17.181 1.00 0.00 C ATOM 665 CD2 TYR A 47 14.207 -4.971 -15.229 1.00 0.00 C ATOM 666 CE1 TYR A 47 15.933 -3.211 -16.470 1.00 0.00 C ATOM 667 CE2 TYR A 47 14.731 -3.906 -14.526 1.00 0.00 C ATOM 668 CZ TYR A 47 15.599 -3.038 -15.141 1.00 0.00 C ATOM 669 OH TYR A 47 16.135 -1.991 -14.418 1.00 0.00 O ATOM 0 H TYR A 47 13.396 -8.664 -18.301 1.00 0.00 H new ATOM 0 HA TYR A 47 15.801 -7.202 -18.144 1.00 0.00 H new ATOM 0 HB2 TYR A 47 13.640 -6.085 -18.337 1.00 0.00 H new ATOM 0 HB3 TYR A 47 13.082 -6.783 -16.830 1.00 0.00 H new ATOM 0 HD1 TYR A 47 15.671 -4.413 -18.218 1.00 0.00 H new ATOM 0 HD2 TYR A 47 13.543 -5.659 -14.727 1.00 0.00 H new ATOM 0 HE1 TYR A 47 16.606 -2.519 -16.954 1.00 0.00 H new ATOM 0 HE2 TYR A 47 14.458 -3.755 -13.492 1.00 0.00 H new ATOM 0 HH TYR A 47 15.793 -2.018 -13.500 1.00 0.00 H new ATOM 679 N ILE A 48 16.942 -7.891 -16.060 1.00 0.00 N ATOM 680 CA ILE A 48 17.690 -8.057 -14.815 1.00 0.00 C ATOM 681 C ILE A 48 17.845 -6.667 -14.167 1.00 0.00 C ATOM 682 O ILE A 48 18.431 -5.766 -14.779 1.00 0.00 O ATOM 683 CB ILE A 48 19.106 -8.704 -15.087 1.00 0.00 C ATOM 684 CG1 ILE A 48 18.961 -10.029 -15.926 1.00 0.00 C ATOM 685 CG2 ILE A 48 19.865 -8.962 -13.760 1.00 0.00 C ATOM 686 CD1 ILE A 48 20.271 -10.752 -16.254 1.00 0.00 C ATOM 0 H ILE A 48 17.536 -7.736 -16.875 1.00 0.00 H new ATOM 0 HA ILE A 48 17.152 -8.729 -14.146 1.00 0.00 H new ATOM 0 HB ILE A 48 19.695 -7.997 -15.672 1.00 0.00 H new ATOM 0 HG12 ILE A 48 18.315 -10.716 -15.378 1.00 0.00 H new ATOM 0 HG13 ILE A 48 18.454 -9.792 -16.861 1.00 0.00 H new ATOM 0 HG21 ILE A 48 20.836 -9.407 -13.977 1.00 0.00 H new ATOM 0 HG22 ILE A 48 20.008 -8.018 -13.233 1.00 0.00 H new ATOM 0 HG23 ILE A 48 19.285 -9.642 -13.136 1.00 0.00 H new ATOM 0 HD11 ILE A 48 20.056 -11.650 -16.833 1.00 0.00 H new ATOM 0 HD12 ILE A 48 20.916 -10.092 -16.834 1.00 0.00 H new ATOM 0 HD13 ILE A 48 20.775 -11.030 -15.328 1.00 0.00 H new ATOM 698 N CYS A 49 17.269 -6.480 -12.958 1.00 0.00 N ATOM 699 CA CYS A 49 17.321 -5.174 -12.261 1.00 0.00 C ATOM 700 C CYS A 49 18.730 -4.913 -11.705 1.00 0.00 C ATOM 701 O CYS A 49 19.467 -5.869 -11.416 1.00 0.00 O ATOM 702 CB CYS A 49 16.267 -5.078 -11.131 1.00 0.00 C ATOM 703 SG CYS A 49 16.687 -5.917 -9.572 1.00 0.00 S ATOM 0 H CYS A 49 16.768 -7.208 -12.449 1.00 0.00 H new ATOM 0 HA CYS A 49 17.083 -4.405 -12.996 1.00 0.00 H new ATOM 0 HB2 CYS A 49 16.089 -4.024 -10.916 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.329 -5.491 -11.501 1.00 0.00 H new ATOM 0 HG CYS A 49 17.300 -7.034 -9.832 1.00 0.00 H new ATOM 708 N VAL A 50 19.068 -3.616 -11.536 1.00 0.00 N ATOM 709 CA VAL A 50 20.430 -3.142 -11.184 1.00 0.00 C ATOM 710 C VAL A 50 20.999 -3.848 -9.936 1.00 0.00 C ATOM 711 O VAL A 50 22.149 -4.293 -9.944 1.00 0.00 O ATOM 712 CB VAL A 50 20.430 -1.579 -10.967 1.00 0.00 C ATOM 713 CG1 VAL A 50 21.834 -1.037 -10.588 1.00 0.00 C ATOM 714 CG2 VAL A 50 19.864 -0.843 -12.213 1.00 0.00 C ATOM 0 H VAL A 50 18.395 -2.856 -11.641 1.00 0.00 H new ATOM 0 HA VAL A 50 21.079 -3.394 -12.023 1.00 0.00 H new ATOM 0 HB VAL A 50 19.773 -1.375 -10.122 1.00 0.00 H new ATOM 0 HG11 VAL A 50 21.782 0.043 -10.449 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.167 -1.506 -9.662 1.00 0.00 H new ATOM 0 HG13 VAL A 50 22.540 -1.267 -11.386 1.00 0.00 H new ATOM 0 HG21 VAL A 50 19.875 0.233 -12.037 1.00 0.00 H new ATOM 0 HG22 VAL A 50 20.479 -1.075 -13.083 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.840 -1.170 -12.395 1.00 0.00 H new ATOM 724 N ARG A 51 20.162 -3.979 -8.889 1.00 0.00 N ATOM 725 CA ARG A 51 20.556 -4.620 -7.611 1.00 0.00 C ATOM 726 C ARG A 51 20.977 -6.096 -7.796 1.00 0.00 C ATOM 727 O ARG A 51 21.844 -6.580 -7.071 1.00 0.00 O ATOM 728 CB ARG A 51 19.403 -4.483 -6.566 1.00 0.00 C ATOM 729 CG ARG A 51 19.344 -3.107 -5.864 1.00 0.00 C ATOM 730 CD ARG A 51 20.574 -2.880 -4.968 1.00 0.00 C ATOM 731 NE ARG A 51 20.602 -1.544 -4.338 1.00 0.00 N ATOM 732 CZ ARG A 51 21.657 -1.019 -3.687 1.00 0.00 C ATOM 733 NH1 ARG A 51 22.813 -1.672 -3.634 1.00 0.00 N ATOM 734 NH2 ARG A 51 21.556 0.174 -3.112 1.00 0.00 N ATOM 0 H ARG A 51 19.198 -3.647 -8.901 1.00 0.00 H new ATOM 0 HA ARG A 51 21.436 -4.097 -7.235 1.00 0.00 H new ATOM 0 HB2 ARG A 51 18.451 -4.664 -7.066 1.00 0.00 H new ATOM 0 HB3 ARG A 51 19.519 -5.259 -5.810 1.00 0.00 H new ATOM 0 HG2 ARG A 51 19.287 -2.317 -6.613 1.00 0.00 H new ATOM 0 HG3 ARG A 51 18.437 -3.042 -5.263 1.00 0.00 H new ATOM 0 HD2 ARG A 51 20.592 -3.642 -4.188 1.00 0.00 H new ATOM 0 HD3 ARG A 51 21.477 -3.012 -5.563 1.00 0.00 H new ATOM 0 HE ARG A 51 19.757 -0.976 -4.401 1.00 0.00 H new ATOM 0 HH11 ARG A 51 22.907 -2.580 -4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 51 23.606 -1.265 -3.138 1.00 0.00 H new ATOM 0 HH21 ARG A 51 20.679 0.692 -3.164 1.00 0.00 H new ATOM 0 HH22 ARG A 51 22.355 0.572 -2.619 1.00 0.00 H new ATOM 748 N CYS A 52 20.373 -6.795 -8.776 1.00 0.00 N ATOM 749 CA CYS A 52 20.754 -8.191 -9.106 1.00 0.00 C ATOM 750 C CYS A 52 22.065 -8.233 -9.897 1.00 0.00 C ATOM 751 O CYS A 52 22.919 -9.070 -9.623 1.00 0.00 O ATOM 752 CB CYS A 52 19.648 -8.913 -9.898 1.00 0.00 C ATOM 753 SG CYS A 52 18.206 -9.365 -8.909 1.00 0.00 S ATOM 0 H CYS A 52 19.621 -6.421 -9.354 1.00 0.00 H new ATOM 0 HA CYS A 52 20.893 -8.712 -8.159 1.00 0.00 H new ATOM 0 HB2 CYS A 52 19.326 -8.271 -10.718 1.00 0.00 H new ATOM 0 HB3 CYS A 52 20.066 -9.815 -10.344 1.00 0.00 H new ATOM 0 HG CYS A 52 17.144 -9.354 -9.659 1.00 0.00 H new ATOM 758 N THR A 53 22.204 -7.312 -10.872 1.00 0.00 N ATOM 759 CA THR A 53 23.380 -7.236 -11.763 1.00 0.00 C ATOM 760 C THR A 53 24.672 -6.973 -10.945 1.00 0.00 C ATOM 761 O THR A 53 25.724 -7.583 -11.191 1.00 0.00 O ATOM 762 CB THR A 53 23.179 -6.105 -12.834 1.00 0.00 C ATOM 763 OG1 THR A 53 21.892 -6.258 -13.467 1.00 0.00 O ATOM 764 CG2 THR A 53 24.282 -6.115 -13.914 1.00 0.00 C ATOM 0 H THR A 53 21.502 -6.598 -11.064 1.00 0.00 H new ATOM 0 HA THR A 53 23.484 -8.193 -12.275 1.00 0.00 H new ATOM 0 HB THR A 53 23.236 -5.151 -12.311 1.00 0.00 H new ATOM 0 HG1 THR A 53 21.769 -5.550 -14.133 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.097 -5.314 -14.630 1.00 0.00 H new ATOM 0 HG22 THR A 53 25.253 -5.964 -13.443 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.275 -7.074 -14.432 1.00 0.00 H new ATOM 772 N VAL A 54 24.543 -6.085 -9.946 1.00 0.00 N ATOM 773 CA VAL A 54 25.631 -5.703 -9.028 1.00 0.00 C ATOM 774 C VAL A 54 25.950 -6.851 -8.048 1.00 0.00 C ATOM 775 O VAL A 54 27.111 -7.249 -7.903 1.00 0.00 O ATOM 776 CB VAL A 54 25.245 -4.386 -8.249 1.00 0.00 C ATOM 777 CG1 VAL A 54 26.242 -4.063 -7.106 1.00 0.00 C ATOM 778 CG2 VAL A 54 25.119 -3.186 -9.231 1.00 0.00 C ATOM 0 H VAL A 54 23.665 -5.604 -9.749 1.00 0.00 H new ATOM 0 HA VAL A 54 26.529 -5.508 -9.614 1.00 0.00 H new ATOM 0 HB VAL A 54 24.275 -4.560 -7.783 1.00 0.00 H new ATOM 0 HG11 VAL A 54 25.932 -3.148 -6.601 1.00 0.00 H new ATOM 0 HG12 VAL A 54 26.255 -4.886 -6.391 1.00 0.00 H new ATOM 0 HG13 VAL A 54 27.241 -3.928 -7.522 1.00 0.00 H new ATOM 0 HG21 VAL A 54 24.852 -2.287 -8.675 1.00 0.00 H new ATOM 0 HG22 VAL A 54 26.071 -3.030 -9.738 1.00 0.00 H new ATOM 0 HG23 VAL A 54 24.345 -3.399 -9.969 1.00 0.00 H new ATOM 788 N LYS A 55 24.902 -7.399 -7.402 1.00 0.00 N ATOM 789 CA LYS A 55 25.054 -8.444 -6.359 1.00 0.00 C ATOM 790 C LYS A 55 25.408 -9.821 -6.971 1.00 0.00 C ATOM 791 O LYS A 55 25.817 -10.743 -6.257 1.00 0.00 O ATOM 792 CB LYS A 55 23.771 -8.503 -5.477 1.00 0.00 C ATOM 793 CG LYS A 55 23.879 -9.408 -4.219 1.00 0.00 C ATOM 794 CD LYS A 55 22.817 -9.088 -3.136 1.00 0.00 C ATOM 795 CE LYS A 55 22.946 -7.645 -2.598 1.00 0.00 C ATOM 796 NZ LYS A 55 22.080 -7.392 -1.424 1.00 0.00 N ATOM 0 H LYS A 55 23.933 -7.136 -7.583 1.00 0.00 H new ATOM 0 HA LYS A 55 25.894 -8.175 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 55 23.521 -7.491 -5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 55 22.943 -8.857 -6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 55 23.776 -10.450 -4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 55 24.873 -9.298 -3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 55 21.820 -9.230 -3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 55 22.920 -9.792 -2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 55 23.984 -7.455 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 55 22.690 -6.942 -3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 22.206 -6.410 -1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 21.086 -7.546 -1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 22.339 -8.042 -0.655 1.00 0.00 H new ATOM 810 N ASP A 56 25.280 -9.930 -8.309 1.00 0.00 N ATOM 811 CA ASP A 56 25.743 -11.102 -9.083 1.00 0.00 C ATOM 812 C ASP A 56 27.277 -11.251 -8.964 1.00 0.00 C ATOM 813 O ASP A 56 27.820 -12.364 -8.983 1.00 0.00 O ATOM 814 CB ASP A 56 25.306 -10.957 -10.570 1.00 0.00 C ATOM 815 CG ASP A 56 25.744 -12.126 -11.477 1.00 0.00 C ATOM 816 OD1 ASP A 56 25.318 -13.273 -11.228 1.00 0.00 O ATOM 817 OD2 ASP A 56 26.504 -11.901 -12.449 1.00 0.00 O ATOM 0 H ASP A 56 24.851 -9.206 -8.886 1.00 0.00 H new ATOM 0 HA ASP A 56 25.287 -12.005 -8.677 1.00 0.00 H new ATOM 0 HB2 ASP A 56 24.220 -10.868 -10.611 1.00 0.00 H new ATOM 0 HB3 ASP A 56 25.717 -10.029 -10.969 1.00 0.00 H new