USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 774 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 8 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 13 THR OG1 : rot 69:sc= 1.21 USER MOD Single : A 19 CYS SG : rot 75:sc= 1.88 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -0.863 X(o=-0.86,f=-1.3) USER MOD Single : A 28 LYS NZ :NH3+ 155:sc= 0.447 (180deg=0.209) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 144:sc= -1.33 (180deg=-3.09!) USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= 2.48 (180deg=2.31) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.147) USER MOD Single : A 46 LYS NZ :NH3+ -176:sc= -0.343 (180deg=-0.371) USER MOD Single : A 53 GLN : amide:sc= -3.44! C(o=-3.4!,f=-9.5!) USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= -0.0105 (180deg=-0.129) USER MOD Single : A 56 SER OG : rot 127:sc= 1.19 USER MOD Single : A 65 LYS NZ :NH3+ 149:sc= -0.231 (180deg=-0.753) USER MOD Single : A 69 GLN : amide:sc=-0.00181 K(o=-0.0018,f=-0.85) USER MOD Single : A 70 ASN : amide:sc= 0.83 K(o=0.83,f=-0.41) USER MOD Single : A 72 SER OG : rot -150:sc= -0.638 USER MOD Single : A 79 SER OG : rot 9:sc= 0.614 USER MOD Single : A 83 THR OG1 : rot -113:sc= 0.338 USER MOD Single : A 84 LYS NZ :NH3+ -163:sc= -0.0734 (180deg=-0.458) USER MOD Single : A 88 LYS NZ :NH3+ 162:sc= -0.0271 (180deg=-0.269) USER MOD Single : A 92 SER OG : rot -73:sc= 1.17 USER MOD Single : A 97 LYS NZ :NH3+ -124:sc= 0.926 (180deg=-1.16) USER MOD Single : A 106 MET CE :methyl 133:sc= -1.65 (180deg=-5.12!) USER MOD Single : A 108 LYS NZ :NH3+ -164:sc= -0.0651 (180deg=-0.441) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -13.655 7.287 5.234 1.00 0.00 N ATOM 61 CA GLY A 5 -12.335 7.873 5.396 1.00 0.00 C ATOM 62 C GLY A 5 -11.258 6.846 5.681 1.00 0.00 C ATOM 63 O GLY A 5 -10.280 7.139 6.367 1.00 0.00 O ATOM 0 HA2 GLY A 5 -12.074 8.422 4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -12.363 8.597 6.211 1.00 0.00 H new ATOM 67 N ILE A 6 -11.444 5.640 5.164 1.00 0.00 N ATOM 68 CA ILE A 6 -10.406 4.624 5.197 1.00 0.00 C ATOM 69 C ILE A 6 -9.291 5.040 4.245 1.00 0.00 C ATOM 70 O ILE A 6 -8.117 4.740 4.454 1.00 0.00 O ATOM 71 CB ILE A 6 -10.965 3.240 4.786 1.00 0.00 C ATOM 72 CG1 ILE A 6 -12.056 2.795 5.763 1.00 0.00 C ATOM 73 CG2 ILE A 6 -9.859 2.194 4.726 1.00 0.00 C ATOM 74 CD1 ILE A 6 -11.539 2.514 7.156 1.00 0.00 C ATOM 0 H ILE A 6 -12.310 5.342 4.715 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.023 4.537 6.214 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.396 3.336 3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.822 3.569 5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -12.537 1.897 5.374 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -10.283 1.233 4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.111 2.497 3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.391 2.102 5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.366 2.204 7.795 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.794 1.719 7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.084 3.416 7.564 1.00 0.00 H new ATOM 86 N LEU A 7 -9.683 5.763 3.208 1.00 0.00 N ATOM 87 CA LEU A 7 -8.745 6.304 2.247 1.00 0.00 C ATOM 88 C LEU A 7 -9.252 7.645 1.735 1.00 0.00 C ATOM 89 O LEU A 7 -10.455 7.836 1.555 1.00 0.00 O ATOM 90 CB LEU A 7 -8.475 5.309 1.085 1.00 0.00 C ATOM 91 CG LEU A 7 -9.617 4.990 0.082 1.00 0.00 C ATOM 92 CD1 LEU A 7 -10.933 4.664 0.773 1.00 0.00 C ATOM 93 CD2 LEU A 7 -9.801 6.110 -0.936 1.00 0.00 C ATOM 0 H LEU A 7 -10.658 5.989 3.012 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.789 6.462 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.632 5.695 0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.154 4.366 1.528 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.307 4.092 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.694 4.450 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.801 3.793 1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.248 5.515 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.609 5.850 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.049 7.036 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.878 6.245 -1.499 1.00 0.00 H new ATOM 105 N ASN A 8 -8.344 8.589 1.566 1.00 0.00 N ATOM 106 CA ASN A 8 -8.674 9.862 0.941 1.00 0.00 C ATOM 107 C ASN A 8 -8.202 9.850 -0.499 1.00 0.00 C ATOM 108 O ASN A 8 -7.003 9.755 -0.765 1.00 0.00 O ATOM 109 CB ASN A 8 -8.022 11.034 1.683 1.00 0.00 C ATOM 110 CG ASN A 8 -8.771 11.449 2.937 1.00 0.00 C ATOM 111 OD1 ASN A 8 -9.391 10.498 3.613 1.00 0.00 O flip ATOM 112 ND2 ASN A 8 -8.785 12.624 3.299 1.00 0.00 N flip ATOM 0 H ASN A 8 -7.369 8.500 1.853 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.755 9.994 0.982 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.002 10.761 1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.956 11.888 1.009 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.295 13.332 2.752 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.287 12.891 4.146 1.00 0.00 H new ATOM 119 N ASP A 9 -9.158 9.939 -1.422 1.00 0.00 N ATOM 120 CA ASP A 9 -8.872 9.934 -2.858 1.00 0.00 C ATOM 121 C ASP A 9 -7.806 10.961 -3.202 1.00 0.00 C ATOM 122 O ASP A 9 -6.948 10.717 -4.043 1.00 0.00 O ATOM 123 CB ASP A 9 -10.147 10.224 -3.656 1.00 0.00 C ATOM 124 CG ASP A 9 -9.887 10.445 -5.138 1.00 0.00 C ATOM 125 OD1 ASP A 9 -9.728 9.454 -5.877 1.00 0.00 O ATOM 126 OD2 ASP A 9 -9.863 11.619 -5.578 1.00 0.00 O ATOM 0 H ASP A 9 -10.150 10.016 -1.198 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.500 8.944 -3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.841 9.392 -3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.634 11.108 -3.243 1.00 0.00 H new ATOM 131 N ALA A 10 -7.859 12.101 -2.530 1.00 0.00 N ATOM 132 CA ALA A 10 -6.894 13.169 -2.740 1.00 0.00 C ATOM 133 C ALA A 10 -5.476 12.722 -2.383 1.00 0.00 C ATOM 134 O ALA A 10 -4.549 12.895 -3.172 1.00 0.00 O ATOM 135 CB ALA A 10 -7.290 14.383 -1.914 1.00 0.00 C ATOM 0 H ALA A 10 -8.568 12.311 -1.828 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.898 13.431 -3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.566 15.183 -2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.279 14.724 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.309 14.114 -0.858 1.00 0.00 H new ATOM 141 N ASP A 11 -5.318 12.133 -1.200 1.00 0.00 N ATOM 142 CA ASP A 11 -4.004 11.693 -0.726 1.00 0.00 C ATOM 143 C ASP A 11 -3.444 10.597 -1.610 1.00 0.00 C ATOM 144 O ASP A 11 -2.289 10.651 -2.042 1.00 0.00 O ATOM 145 CB ASP A 11 -4.081 11.195 0.722 1.00 0.00 C ATOM 146 CG ASP A 11 -4.263 12.317 1.720 1.00 0.00 C ATOM 147 OD1 ASP A 11 -5.376 12.872 1.800 1.00 0.00 O ATOM 148 OD2 ASP A 11 -3.292 12.650 2.433 1.00 0.00 O ATOM 0 H ASP A 11 -6.082 11.948 -0.550 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.338 12.555 -0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.910 10.493 0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.170 10.646 0.961 1.00 0.00 H new ATOM 153 N ILE A 12 -4.272 9.608 -1.876 1.00 0.00 N ATOM 154 CA ILE A 12 -3.898 8.493 -2.725 1.00 0.00 C ATOM 155 C ILE A 12 -3.496 8.992 -4.114 1.00 0.00 C ATOM 156 O ILE A 12 -2.435 8.635 -4.632 1.00 0.00 O ATOM 157 CB ILE A 12 -5.067 7.483 -2.816 1.00 0.00 C ATOM 158 CG1 ILE A 12 -5.077 6.539 -1.604 1.00 0.00 C ATOM 159 CG2 ILE A 12 -5.009 6.676 -4.104 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.357 7.211 -0.276 1.00 0.00 C ATOM 0 H ILE A 12 -5.223 9.553 -1.511 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.038 7.986 -2.288 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.991 8.061 -2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.828 5.767 -1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.111 6.037 -1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.845 5.977 -4.134 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.069 7.350 -4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.071 6.122 -4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.344 6.465 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.593 7.963 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.336 7.689 -0.309 1.00 0.00 H new ATOM 172 N THR A 13 -4.332 9.849 -4.688 1.00 0.00 N ATOM 173 CA THR A 13 -4.066 10.437 -5.994 1.00 0.00 C ATOM 174 C THR A 13 -2.770 11.249 -5.985 1.00 0.00 C ATOM 175 O THR A 13 -2.015 11.229 -6.954 1.00 0.00 O ATOM 176 CB THR A 13 -5.240 11.338 -6.427 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.423 10.547 -6.582 1.00 0.00 O ATOM 178 CG2 THR A 13 -4.949 12.069 -7.727 1.00 0.00 C ATOM 0 H THR A 13 -5.208 10.154 -4.264 1.00 0.00 H new ATOM 0 HA THR A 13 -3.955 9.620 -6.707 1.00 0.00 H new ATOM 0 HB THR A 13 -5.384 12.086 -5.648 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.727 10.237 -5.703 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.803 12.692 -7.993 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.067 12.697 -7.602 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.768 11.343 -8.520 1.00 0.00 H new ATOM 186 N ALA A 14 -2.513 11.941 -4.880 1.00 0.00 N ATOM 187 CA ALA A 14 -1.341 12.802 -4.763 1.00 0.00 C ATOM 188 C ALA A 14 -0.046 12.031 -5.005 1.00 0.00 C ATOM 189 O ALA A 14 0.746 12.403 -5.874 1.00 0.00 O ATOM 190 CB ALA A 14 -1.313 13.472 -3.400 1.00 0.00 C ATOM 0 H ALA A 14 -3.104 11.922 -4.049 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.415 13.568 -5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.433 14.111 -3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.212 14.076 -3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.274 12.711 -2.621 1.00 0.00 H new ATOM 196 N ALA A 15 0.166 10.958 -4.246 1.00 0.00 N ATOM 197 CA ALA A 15 1.374 10.149 -4.396 1.00 0.00 C ATOM 198 C ALA A 15 1.431 9.467 -5.764 1.00 0.00 C ATOM 199 O ALA A 15 2.504 9.337 -6.356 1.00 0.00 O ATOM 200 CB ALA A 15 1.465 9.119 -3.283 1.00 0.00 C ATOM 0 H ALA A 15 -0.478 10.630 -3.526 1.00 0.00 H new ATOM 0 HA ALA A 15 2.231 10.819 -4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.370 8.525 -3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.496 9.627 -2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.594 8.465 -3.320 1.00 0.00 H new ATOM 206 N LEU A 16 0.276 9.045 -6.267 1.00 0.00 N ATOM 207 CA LEU A 16 0.199 8.396 -7.575 1.00 0.00 C ATOM 208 C LEU A 16 0.578 9.365 -8.694 1.00 0.00 C ATOM 209 O LEU A 16 1.293 9.003 -9.627 1.00 0.00 O ATOM 210 CB LEU A 16 -1.209 7.845 -7.808 1.00 0.00 C ATOM 211 CG LEU A 16 -1.591 6.650 -6.934 1.00 0.00 C ATOM 212 CD1 LEU A 16 -3.079 6.374 -7.036 1.00 0.00 C ATOM 213 CD2 LEU A 16 -0.799 5.416 -7.338 1.00 0.00 C ATOM 0 H LEU A 16 -0.621 9.140 -5.790 1.00 0.00 H new ATOM 0 HA LEU A 16 0.911 7.571 -7.586 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.929 8.646 -7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.300 7.554 -8.854 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.350 6.892 -5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.335 5.521 -6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.635 7.250 -6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.338 6.153 -8.071 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.085 4.576 -6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.010 5.173 -8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.267 5.613 -7.220 1.00 0.00 H new ATOM 225 N ALA A 17 0.105 10.600 -8.586 1.00 0.00 N ATOM 226 CA ALA A 17 0.386 11.625 -9.585 1.00 0.00 C ATOM 227 C ALA A 17 1.808 12.151 -9.443 1.00 0.00 C ATOM 228 O ALA A 17 2.375 12.706 -10.386 1.00 0.00 O ATOM 229 CB ALA A 17 -0.612 12.766 -9.468 1.00 0.00 C ATOM 0 H ALA A 17 -0.478 10.918 -7.812 1.00 0.00 H new ATOM 0 HA ALA A 17 0.288 11.171 -10.571 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.389 13.523 -10.220 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.621 12.384 -9.625 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.542 13.210 -8.475 1.00 0.00 H new ATOM 235 N ALA A 18 2.380 11.973 -8.258 1.00 0.00 N ATOM 236 CA ALA A 18 3.751 12.388 -7.997 1.00 0.00 C ATOM 237 C ALA A 18 4.713 11.501 -8.762 1.00 0.00 C ATOM 238 O ALA A 18 5.802 11.922 -9.157 1.00 0.00 O ATOM 239 CB ALA A 18 4.057 12.318 -6.509 1.00 0.00 C ATOM 0 H ALA A 18 1.912 11.542 -7.460 1.00 0.00 H new ATOM 0 HA ALA A 18 3.870 13.420 -8.329 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.086 12.632 -6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.379 12.977 -5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.925 11.294 -6.158 1.00 0.00 H new ATOM 245 N CYS A 19 4.292 10.273 -8.979 1.00 0.00 N ATOM 246 CA CYS A 19 5.128 9.284 -9.621 1.00 0.00 C ATOM 247 C CYS A 19 4.685 9.056 -11.061 1.00 0.00 C ATOM 248 O CYS A 19 4.479 7.922 -11.487 1.00 0.00 O ATOM 249 CB CYS A 19 5.066 7.979 -8.839 1.00 0.00 C ATOM 250 SG CYS A 19 5.292 8.175 -7.057 1.00 0.00 S ATOM 0 H CYS A 19 3.366 9.935 -8.717 1.00 0.00 H new ATOM 0 HA CYS A 19 6.155 9.648 -9.635 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.102 7.504 -9.022 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.832 7.303 -9.219 1.00 0.00 H new ATOM 0 HG CYS A 19 4.209 8.668 -6.534 1.00 0.00 H new ATOM 256 N LYS A 20 4.542 10.142 -11.808 1.00 0.00 N ATOM 257 CA LYS A 20 4.141 10.076 -13.199 1.00 0.00 C ATOM 258 C LYS A 20 5.310 9.645 -14.091 1.00 0.00 C ATOM 259 O LYS A 20 5.663 10.329 -15.052 1.00 0.00 O ATOM 260 CB LYS A 20 3.613 11.442 -13.633 1.00 0.00 C ATOM 261 CG LYS A 20 4.573 12.591 -13.357 1.00 0.00 C ATOM 262 CD LYS A 20 4.067 13.893 -13.949 1.00 0.00 C ATOM 263 CE LYS A 20 5.062 15.023 -13.742 1.00 0.00 C ATOM 264 NZ LYS A 20 4.634 16.273 -14.421 1.00 0.00 N ATOM 0 H LYS A 20 4.701 11.089 -11.464 1.00 0.00 H new ATOM 0 HA LYS A 20 3.354 9.329 -13.305 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.394 11.413 -14.700 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.672 11.637 -13.119 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.704 12.706 -12.281 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.552 12.357 -13.774 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.881 13.761 -15.015 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.114 14.157 -13.490 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.179 15.212 -12.675 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.038 14.720 -14.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.340 17.018 -14.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.547 16.101 -15.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.715 16.577 -14.042 1.00 0.00 H new ATOM 278 N ALA A 21 5.905 8.508 -13.763 1.00 0.00 N ATOM 279 CA ALA A 21 7.052 8.000 -14.497 1.00 0.00 C ATOM 280 C ALA A 21 7.122 6.485 -14.388 1.00 0.00 C ATOM 281 O ALA A 21 6.930 5.920 -13.308 1.00 0.00 O ATOM 282 CB ALA A 21 8.329 8.633 -13.967 1.00 0.00 C ATOM 0 H ALA A 21 5.609 7.916 -12.987 1.00 0.00 H new ATOM 0 HA ALA A 21 6.942 8.262 -15.549 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.184 8.247 -14.522 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.276 9.715 -14.088 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.444 8.391 -12.910 1.00 0.00 H new ATOM 288 N GLU A 22 7.393 5.833 -15.511 1.00 0.00 N ATOM 289 CA GLU A 22 7.464 4.377 -15.561 1.00 0.00 C ATOM 290 C GLU A 22 8.589 3.849 -14.683 1.00 0.00 C ATOM 291 O GLU A 22 9.703 4.376 -14.694 1.00 0.00 O ATOM 292 CB GLU A 22 7.674 3.892 -16.990 1.00 0.00 C ATOM 293 CG GLU A 22 6.481 4.115 -17.901 1.00 0.00 C ATOM 294 CD GLU A 22 6.686 3.486 -19.261 1.00 0.00 C ATOM 295 OE1 GLU A 22 6.322 2.304 -19.436 1.00 0.00 O ATOM 296 OE2 GLU A 22 7.225 4.165 -20.159 1.00 0.00 O ATOM 0 H GLU A 22 7.568 6.292 -16.405 1.00 0.00 H new ATOM 0 HA GLU A 22 6.514 3.995 -15.187 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.540 4.402 -17.412 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.909 2.828 -16.970 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.587 3.696 -17.438 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.308 5.185 -18.018 1.00 0.00 H new ATOM 303 N GLY A 23 8.286 2.804 -13.921 1.00 0.00 N ATOM 304 CA GLY A 23 9.271 2.180 -13.058 1.00 0.00 C ATOM 305 C GLY A 23 9.670 3.044 -11.877 1.00 0.00 C ATOM 306 O GLY A 23 10.489 2.634 -11.054 1.00 0.00 O ATOM 0 H GLY A 23 7.362 2.373 -13.886 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.873 1.235 -12.689 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.160 1.945 -13.644 1.00 0.00 H new ATOM 310 N SER A 24 9.084 4.226 -11.780 1.00 0.00 N ATOM 311 CA SER A 24 9.458 5.175 -10.748 1.00 0.00 C ATOM 312 C SER A 24 8.273 5.502 -9.848 1.00 0.00 C ATOM 313 O SER A 24 8.002 6.665 -9.553 1.00 0.00 O ATOM 314 CB SER A 24 10.009 6.443 -11.395 1.00 0.00 C ATOM 315 OG SER A 24 11.108 6.140 -12.241 1.00 0.00 O ATOM 0 H SER A 24 8.346 4.550 -12.405 1.00 0.00 H new ATOM 0 HA SER A 24 10.231 4.727 -10.124 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.224 6.933 -11.972 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.322 7.145 -10.622 1.00 0.00 H new ATOM 0 HG SER A 24 11.445 6.966 -12.647 1.00 0.00 H new ATOM 321 N PHE A 25 7.567 4.470 -9.421 1.00 0.00 N ATOM 322 CA PHE A 25 6.462 4.643 -8.494 1.00 0.00 C ATOM 323 C PHE A 25 6.926 4.402 -7.069 1.00 0.00 C ATOM 324 O PHE A 25 7.308 3.286 -6.714 1.00 0.00 O ATOM 325 CB PHE A 25 5.301 3.710 -8.839 1.00 0.00 C ATOM 326 CG PHE A 25 4.410 4.239 -9.929 1.00 0.00 C ATOM 327 CD1 PHE A 25 4.807 4.192 -11.255 1.00 0.00 C ATOM 328 CD2 PHE A 25 3.170 4.781 -9.623 1.00 0.00 C ATOM 329 CE1 PHE A 25 3.987 4.675 -12.256 1.00 0.00 C ATOM 330 CE2 PHE A 25 2.345 5.266 -10.621 1.00 0.00 C ATOM 331 CZ PHE A 25 2.754 5.212 -11.939 1.00 0.00 C ATOM 0 H PHE A 25 7.739 3.504 -9.701 1.00 0.00 H new ATOM 0 HA PHE A 25 6.107 5.670 -8.581 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.701 2.743 -9.145 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.704 3.539 -7.943 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.769 3.773 -11.509 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.846 4.825 -8.594 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.309 4.633 -13.286 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.382 5.686 -10.370 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.111 5.589 -12.721 1.00 0.00 H new ATOM 341 N ASP A 26 6.909 5.456 -6.267 1.00 0.00 N ATOM 342 CA ASP A 26 7.308 5.359 -4.871 1.00 0.00 C ATOM 343 C ASP A 26 6.227 4.667 -4.055 1.00 0.00 C ATOM 344 O ASP A 26 5.368 5.321 -3.460 1.00 0.00 O ATOM 345 CB ASP A 26 7.596 6.743 -4.286 1.00 0.00 C ATOM 346 CG ASP A 26 8.929 7.306 -4.727 1.00 0.00 C ATOM 347 OD1 ASP A 26 8.984 7.976 -5.778 1.00 0.00 O ATOM 348 OD2 ASP A 26 9.933 7.090 -4.016 1.00 0.00 O ATOM 0 H ASP A 26 6.623 6.390 -6.560 1.00 0.00 H new ATOM 0 HA ASP A 26 8.222 4.767 -4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.802 7.429 -4.582 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.575 6.683 -3.198 1.00 0.00 H new ATOM 353 N HIS A 27 6.274 3.339 -4.037 1.00 0.00 N ATOM 354 CA HIS A 27 5.312 2.539 -3.282 1.00 0.00 C ATOM 355 C HIS A 27 5.388 2.891 -1.805 1.00 0.00 C ATOM 356 O HIS A 27 4.406 2.799 -1.068 1.00 0.00 O ATOM 357 CB HIS A 27 5.577 1.031 -3.496 1.00 0.00 C ATOM 358 CG HIS A 27 6.477 0.399 -2.469 1.00 0.00 C ATOM 359 ND1 HIS A 27 6.002 -0.211 -1.327 1.00 0.00 N ATOM 360 CD2 HIS A 27 7.827 0.312 -2.402 1.00 0.00 C ATOM 361 CE1 HIS A 27 7.019 -0.637 -0.603 1.00 0.00 C ATOM 362 NE2 HIS A 27 8.136 -0.334 -1.232 1.00 0.00 N ATOM 0 H HIS A 27 6.972 2.790 -4.539 1.00 0.00 H new ATOM 0 HA HIS A 27 4.308 2.763 -3.643 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.623 0.505 -3.496 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.019 0.890 -4.482 1.00 0.00 H new ATOM 0 HD1 HIS A 27 5.018 -0.316 -1.081 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.530 0.682 -3.134 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.948 -1.148 0.346 1.00 0.00 H new ATOM 371 N LYS A 28 6.572 3.295 -1.396 1.00 0.00 N ATOM 372 CA LYS A 28 6.844 3.629 -0.021 1.00 0.00 C ATOM 373 C LYS A 28 6.219 4.972 0.319 1.00 0.00 C ATOM 374 O LYS A 28 5.463 5.088 1.283 1.00 0.00 O ATOM 375 CB LYS A 28 8.347 3.690 0.163 1.00 0.00 C ATOM 376 CG LYS A 28 8.813 3.685 1.608 1.00 0.00 C ATOM 377 CD LYS A 28 10.323 3.829 1.704 1.00 0.00 C ATOM 378 CE LYS A 28 10.826 3.555 3.112 1.00 0.00 C ATOM 379 NZ LYS A 28 10.708 2.118 3.481 1.00 0.00 N ATOM 0 H LYS A 28 7.376 3.400 -2.015 1.00 0.00 H new ATOM 0 HA LYS A 28 6.418 2.876 0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.797 2.841 -0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.722 4.591 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.333 4.500 2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.503 2.757 2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.799 3.140 1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.612 4.836 1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.868 3.864 3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.260 4.158 3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.407 1.890 4.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.751 1.930 3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.884 1.529 2.642 1.00 0.00 H new ATOM 393 N ALA A 29 6.530 5.976 -0.497 1.00 0.00 N ATOM 394 CA ALA A 29 5.969 7.309 -0.327 1.00 0.00 C ATOM 395 C ALA A 29 4.451 7.253 -0.311 1.00 0.00 C ATOM 396 O ALA A 29 3.803 8.001 0.410 1.00 0.00 O ATOM 397 CB ALA A 29 6.446 8.236 -1.430 1.00 0.00 C ATOM 0 H ALA A 29 7.171 5.888 -1.286 1.00 0.00 H new ATOM 0 HA ALA A 29 6.313 7.701 0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.015 9.227 -1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.533 8.305 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.132 7.843 -2.397 1.00 0.00 H new ATOM 403 N PHE A 30 3.895 6.344 -1.097 1.00 0.00 N ATOM 404 CA PHE A 30 2.455 6.167 -1.167 1.00 0.00 C ATOM 405 C PHE A 30 1.887 5.741 0.187 1.00 0.00 C ATOM 406 O PHE A 30 1.028 6.426 0.742 1.00 0.00 O ATOM 407 CB PHE A 30 2.111 5.130 -2.241 1.00 0.00 C ATOM 408 CG PHE A 30 0.639 4.896 -2.424 1.00 0.00 C ATOM 409 CD1 PHE A 30 -0.116 5.749 -3.209 1.00 0.00 C ATOM 410 CD2 PHE A 30 0.013 3.818 -1.817 1.00 0.00 C ATOM 411 CE1 PHE A 30 -1.467 5.534 -3.387 1.00 0.00 C ATOM 412 CE2 PHE A 30 -1.340 3.599 -1.990 1.00 0.00 C ATOM 413 CZ PHE A 30 -2.080 4.458 -2.777 1.00 0.00 C ATOM 0 H PHE A 30 4.425 5.714 -1.699 1.00 0.00 H new ATOM 0 HA PHE A 30 2.002 7.122 -1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.537 5.453 -3.191 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.588 4.185 -1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.358 6.593 -3.688 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.589 3.142 -1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.045 6.207 -4.003 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.818 2.757 -1.510 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.138 4.289 -2.915 1.00 0.00 H new ATOM 423 N PHE A 31 2.386 4.627 0.731 1.00 0.00 N ATOM 424 CA PHE A 31 1.848 4.084 1.980 1.00 0.00 C ATOM 425 C PHE A 31 1.998 5.079 3.109 1.00 0.00 C ATOM 426 O PHE A 31 1.131 5.211 3.970 1.00 0.00 O ATOM 427 CB PHE A 31 2.503 2.725 2.337 1.00 0.00 C ATOM 428 CG PHE A 31 3.897 2.728 2.928 1.00 0.00 C ATOM 429 CD1 PHE A 31 4.183 3.335 4.139 1.00 0.00 C ATOM 430 CD2 PHE A 31 4.916 2.057 2.274 1.00 0.00 C ATOM 431 CE1 PHE A 31 5.452 3.287 4.677 1.00 0.00 C ATOM 432 CE2 PHE A 31 6.188 2.007 2.805 1.00 0.00 C ATOM 433 CZ PHE A 31 6.457 2.622 4.009 1.00 0.00 C ATOM 0 H PHE A 31 3.154 4.089 0.330 1.00 0.00 H new ATOM 0 HA PHE A 31 0.784 3.902 1.832 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.846 2.215 3.041 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.529 2.121 1.430 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.400 3.854 4.671 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.712 1.565 1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.658 3.770 5.621 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.973 1.486 2.277 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.452 2.583 4.427 1.00 0.00 H new ATOM 443 N THR A 32 3.090 5.794 3.073 1.00 0.00 N ATOM 444 CA THR A 32 3.476 6.639 4.166 1.00 0.00 C ATOM 445 C THR A 32 2.829 8.020 4.064 1.00 0.00 C ATOM 446 O THR A 32 2.694 8.724 5.064 1.00 0.00 O ATOM 447 CB THR A 32 5.011 6.702 4.217 1.00 0.00 C ATOM 448 OG1 THR A 32 5.461 7.188 5.490 1.00 0.00 O ATOM 449 CG2 THR A 32 5.573 7.575 3.105 1.00 0.00 C ATOM 0 H THR A 32 3.736 5.806 2.284 1.00 0.00 H new ATOM 0 HA THR A 32 3.115 6.220 5.105 1.00 0.00 H new ATOM 0 HB THR A 32 5.379 5.686 4.074 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.440 7.218 5.501 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.661 7.596 3.173 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.278 7.168 2.138 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.184 8.588 3.206 1.00 0.00 H new ATOM 457 N LYS A 33 2.406 8.398 2.860 1.00 0.00 N ATOM 458 CA LYS A 33 1.775 9.693 2.653 1.00 0.00 C ATOM 459 C LYS A 33 0.268 9.620 2.913 1.00 0.00 C ATOM 460 O LYS A 33 -0.338 10.601 3.336 1.00 0.00 O ATOM 461 CB LYS A 33 2.046 10.209 1.232 1.00 0.00 C ATOM 462 CG LYS A 33 1.021 9.780 0.206 1.00 0.00 C ATOM 463 CD LYS A 33 0.515 10.961 -0.616 1.00 0.00 C ATOM 464 CE LYS A 33 -0.301 11.944 0.219 1.00 0.00 C ATOM 465 NZ LYS A 33 0.536 12.985 0.879 1.00 0.00 N ATOM 0 H LYS A 33 2.489 7.827 2.019 1.00 0.00 H new ATOM 0 HA LYS A 33 2.210 10.393 3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.085 11.298 1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.029 9.861 0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.461 9.036 -0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.181 9.301 0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.364 11.482 -1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.097 10.592 -1.439 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.038 12.430 -0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.853 11.394 0.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.019 13.888 0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.750 12.692 1.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.424 13.103 0.350 1.00 0.00 H new ATOM 479 N VAL A 34 -0.338 8.463 2.646 1.00 0.00 N ATOM 480 CA VAL A 34 -1.772 8.307 2.774 1.00 0.00 C ATOM 481 C VAL A 34 -2.172 7.813 4.162 1.00 0.00 C ATOM 482 O VAL A 34 -3.358 7.761 4.496 1.00 0.00 O ATOM 483 CB VAL A 34 -2.300 7.322 1.721 1.00 0.00 C ATOM 484 CG1 VAL A 34 -1.879 7.741 0.324 1.00 0.00 C ATOM 485 CG2 VAL A 34 -1.839 5.903 2.014 1.00 0.00 C ATOM 0 H VAL A 34 0.151 7.622 2.339 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.213 9.291 2.619 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.389 7.341 1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.266 7.026 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.277 8.732 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.791 7.766 0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.229 5.229 1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.750 5.866 2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.208 5.595 2.993 1.00 0.00 H new ATOM 495 N GLY A 35 -1.181 7.444 4.961 1.00 0.00 N ATOM 496 CA GLY A 35 -1.454 6.934 6.290 1.00 0.00 C ATOM 497 C GLY A 35 -1.745 5.446 6.281 1.00 0.00 C ATOM 498 O GLY A 35 -2.456 4.938 7.149 1.00 0.00 O ATOM 0 H GLY A 35 -0.193 7.489 4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.599 7.132 6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.305 7.467 6.715 1.00 0.00 H new ATOM 502 N LEU A 36 -1.186 4.740 5.304 1.00 0.00 N ATOM 503 CA LEU A 36 -1.461 3.320 5.134 1.00 0.00 C ATOM 504 C LEU A 36 -0.576 2.479 6.052 1.00 0.00 C ATOM 505 O LEU A 36 -0.857 1.309 6.302 1.00 0.00 O ATOM 506 CB LEU A 36 -1.236 2.906 3.676 1.00 0.00 C ATOM 507 CG LEU A 36 -1.886 1.586 3.259 1.00 0.00 C ATOM 508 CD1 LEU A 36 -3.401 1.716 3.254 1.00 0.00 C ATOM 509 CD2 LEU A 36 -1.386 1.158 1.888 1.00 0.00 C ATOM 0 H LEU A 36 -0.539 5.129 4.618 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.503 3.144 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.614 3.698 3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.163 2.835 3.498 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.608 0.821 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.847 0.767 2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.747 1.980 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.697 2.494 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.858 0.217 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.636 1.924 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.304 1.026 1.920 1.00 0.00 H new ATOM 521 N ALA A 37 0.489 3.084 6.563 1.00 0.00 N ATOM 522 CA ALA A 37 1.431 2.376 7.425 1.00 0.00 C ATOM 523 C ALA A 37 0.923 2.317 8.861 1.00 0.00 C ATOM 524 O ALA A 37 1.529 1.681 9.724 1.00 0.00 O ATOM 525 CB ALA A 37 2.797 3.037 7.362 1.00 0.00 C ATOM 0 H ALA A 37 0.723 4.063 6.396 1.00 0.00 H new ATOM 0 HA ALA A 37 1.523 1.351 7.064 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.491 2.500 8.009 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.165 3.014 6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.716 4.072 7.696 1.00 0.00 H new ATOM 531 N ALA A 38 -0.191 2.986 9.109 1.00 0.00 N ATOM 532 CA ALA A 38 -0.807 2.991 10.426 1.00 0.00 C ATOM 533 C ALA A 38 -2.176 2.325 10.368 1.00 0.00 C ATOM 534 O ALA A 38 -3.122 2.758 11.029 1.00 0.00 O ATOM 535 CB ALA A 38 -0.921 4.417 10.944 1.00 0.00 C ATOM 0 H ALA A 38 -0.690 3.536 8.410 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.180 2.424 11.114 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.384 4.410 11.931 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.073 4.860 11.012 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.534 5.005 10.260 1.00 0.00 H new ATOM 541 N LYS A 39 -2.275 1.268 9.574 1.00 0.00 N ATOM 542 CA LYS A 39 -3.549 0.603 9.347 1.00 0.00 C ATOM 543 C LYS A 39 -3.732 -0.617 10.238 1.00 0.00 C ATOM 544 O LYS A 39 -2.793 -1.375 10.497 1.00 0.00 O ATOM 545 CB LYS A 39 -3.682 0.188 7.883 1.00 0.00 C ATOM 546 CG LYS A 39 -3.841 1.360 6.934 1.00 0.00 C ATOM 547 CD LYS A 39 -5.002 2.240 7.351 1.00 0.00 C ATOM 548 CE LYS A 39 -5.416 3.199 6.253 1.00 0.00 C ATOM 549 NZ LYS A 39 -6.733 3.812 6.552 1.00 0.00 N ATOM 0 H LYS A 39 -1.487 0.853 9.076 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.328 1.322 9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.801 -0.386 7.595 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.542 -0.474 7.778 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.923 1.947 6.917 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.003 0.993 5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.851 1.613 7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.726 2.806 8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.663 3.980 6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.465 2.669 5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.120 4.243 5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.387 3.080 6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.618 4.544 7.282 1.00 0.00 H new ATOM 563 N SER A 40 -4.960 -0.789 10.700 1.00 0.00 N ATOM 564 CA SER A 40 -5.342 -1.950 11.478 1.00 0.00 C ATOM 565 C SER A 40 -5.640 -3.124 10.541 1.00 0.00 C ATOM 566 O SER A 40 -5.928 -2.905 9.363 1.00 0.00 O ATOM 567 CB SER A 40 -6.573 -1.608 12.322 1.00 0.00 C ATOM 568 OG SER A 40 -6.381 -0.395 13.034 1.00 0.00 O ATOM 0 H SER A 40 -5.719 -0.125 10.544 1.00 0.00 H new ATOM 0 HA SER A 40 -4.526 -2.236 12.142 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.448 -1.521 11.677 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.774 -2.418 13.024 1.00 0.00 H new ATOM 0 HG SER A 40 -7.181 -0.197 13.564 1.00 0.00 H new ATOM 574 N PRO A 41 -5.555 -4.375 11.032 1.00 0.00 N ATOM 575 CA PRO A 41 -5.762 -5.580 10.208 1.00 0.00 C ATOM 576 C PRO A 41 -6.981 -5.497 9.284 1.00 0.00 C ATOM 577 O PRO A 41 -6.885 -5.804 8.097 1.00 0.00 O ATOM 578 CB PRO A 41 -5.957 -6.675 11.253 1.00 0.00 C ATOM 579 CG PRO A 41 -5.137 -6.227 12.412 1.00 0.00 C ATOM 580 CD PRO A 41 -5.223 -4.724 12.429 1.00 0.00 C ATOM 0 HA PRO A 41 -4.928 -5.744 9.526 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.007 -6.782 11.526 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.624 -7.644 10.881 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.515 -6.649 13.343 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.103 -6.557 12.309 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.989 -4.375 13.122 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.281 -4.273 12.741 1.00 0.00 H new ATOM 588 N ALA A 42 -8.115 -5.060 9.826 1.00 0.00 N ATOM 589 CA ALA A 42 -9.359 -4.990 9.059 1.00 0.00 C ATOM 590 C ALA A 42 -9.259 -3.991 7.907 1.00 0.00 C ATOM 591 O ALA A 42 -9.899 -4.160 6.864 1.00 0.00 O ATOM 592 CB ALA A 42 -10.518 -4.629 9.971 1.00 0.00 C ATOM 0 H ALA A 42 -8.200 -4.749 10.794 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.537 -5.974 8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.438 -4.580 9.388 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.620 -5.387 10.747 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.329 -3.660 10.433 1.00 0.00 H new ATOM 598 N ASP A 43 -8.444 -2.964 8.093 1.00 0.00 N ATOM 599 CA ASP A 43 -8.257 -1.943 7.072 1.00 0.00 C ATOM 600 C ASP A 43 -7.367 -2.497 5.970 1.00 0.00 C ATOM 601 O ASP A 43 -7.691 -2.416 4.792 1.00 0.00 O ATOM 602 CB ASP A 43 -7.636 -0.691 7.689 1.00 0.00 C ATOM 603 CG ASP A 43 -7.697 0.526 6.794 1.00 0.00 C ATOM 604 OD1 ASP A 43 -7.256 0.454 5.633 1.00 0.00 O ATOM 605 OD2 ASP A 43 -8.163 1.584 7.278 1.00 0.00 O ATOM 0 H ASP A 43 -7.900 -2.815 8.943 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.222 -1.668 6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.147 -0.467 8.626 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.594 -0.897 7.935 1.00 0.00 H new ATOM 610 N ILE A 44 -6.261 -3.110 6.368 1.00 0.00 N ATOM 611 CA ILE A 44 -5.375 -3.772 5.418 1.00 0.00 C ATOM 612 C ILE A 44 -6.108 -4.927 4.724 1.00 0.00 C ATOM 613 O ILE A 44 -5.759 -5.328 3.615 1.00 0.00 O ATOM 614 CB ILE A 44 -4.077 -4.265 6.111 1.00 0.00 C ATOM 615 CG1 ILE A 44 -3.172 -3.076 6.452 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.320 -5.276 5.256 1.00 0.00 C ATOM 617 CD1 ILE A 44 -2.885 -2.159 5.281 1.00 0.00 C ATOM 0 H ILE A 44 -5.955 -3.163 7.340 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.082 -3.047 4.659 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.371 -4.770 7.031 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.638 -2.495 7.248 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.227 -3.453 6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.419 -5.593 5.780 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.955 -6.142 5.069 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.045 -4.816 4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.238 -1.344 5.607 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.389 -2.722 4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.821 -1.750 4.901 1.00 0.00 H new ATOM 629 N LYS A 45 -7.153 -5.434 5.369 1.00 0.00 N ATOM 630 CA LYS A 45 -7.991 -6.466 4.776 1.00 0.00 C ATOM 631 C LYS A 45 -8.789 -5.902 3.599 1.00 0.00 C ATOM 632 O LYS A 45 -8.909 -6.539 2.550 1.00 0.00 O ATOM 633 CB LYS A 45 -8.938 -7.055 5.820 1.00 0.00 C ATOM 634 CG LYS A 45 -9.643 -8.312 5.346 1.00 0.00 C ATOM 635 CD LYS A 45 -8.666 -9.463 5.170 1.00 0.00 C ATOM 636 CE LYS A 45 -9.344 -10.683 4.575 1.00 0.00 C ATOM 637 NZ LYS A 45 -10.482 -11.155 5.412 1.00 0.00 N ATOM 0 H LYS A 45 -7.439 -5.145 6.305 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.342 -7.260 4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.375 -7.282 6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.684 -6.307 6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.412 -8.593 6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.148 -8.113 4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.846 -9.150 4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.230 -9.722 6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.705 -10.445 3.574 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.615 -11.486 4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.808 -12.080 5.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.172 -11.245 6.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.262 -10.470 5.355 1.00 0.00 H new ATOM 651 N LYS A 46 -9.334 -4.701 3.746 1.00 0.00 N ATOM 652 CA LYS A 46 -10.013 -4.082 2.618 1.00 0.00 C ATOM 653 C LYS A 46 -8.978 -3.658 1.583 1.00 0.00 C ATOM 654 O LYS A 46 -9.264 -3.602 0.390 1.00 0.00 O ATOM 655 CB LYS A 46 -10.938 -2.919 3.050 1.00 0.00 C ATOM 656 CG LYS A 46 -10.255 -1.704 3.675 1.00 0.00 C ATOM 657 CD LYS A 46 -9.612 -0.783 2.640 1.00 0.00 C ATOM 658 CE LYS A 46 -10.619 -0.266 1.621 1.00 0.00 C ATOM 659 NZ LYS A 46 -11.786 0.397 2.263 1.00 0.00 N ATOM 0 H LYS A 46 -9.321 -4.152 4.606 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.678 -4.815 2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.497 -2.585 2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.664 -3.307 3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.988 -1.139 4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.492 -2.043 4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.146 0.062 3.148 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.818 -1.321 2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.126 0.440 0.953 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.969 -1.096 1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.474 0.671 1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.234 -0.261 2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.466 1.245 2.773 1.00 0.00 H new ATOM 673 N VAL A 47 -7.760 -3.398 2.048 1.00 0.00 N ATOM 674 CA VAL A 47 -6.642 -3.138 1.155 1.00 0.00 C ATOM 675 C VAL A 47 -6.318 -4.393 0.344 1.00 0.00 C ATOM 676 O VAL A 47 -5.925 -4.303 -0.813 1.00 0.00 O ATOM 677 CB VAL A 47 -5.390 -2.658 1.922 1.00 0.00 C ATOM 678 CG1 VAL A 47 -4.219 -2.447 0.978 1.00 0.00 C ATOM 679 CG2 VAL A 47 -5.691 -1.374 2.680 1.00 0.00 C ATOM 0 H VAL A 47 -7.524 -3.362 3.040 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.937 -2.335 0.479 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.116 -3.434 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.351 -2.109 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.982 -3.385 0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.482 -1.695 0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.798 -1.050 3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.994 -0.599 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.496 -1.552 3.393 1.00 0.00 H new ATOM 689 N PHE A 48 -6.495 -5.564 0.958 1.00 0.00 N ATOM 690 CA PHE A 48 -6.448 -6.832 0.225 1.00 0.00 C ATOM 691 C PHE A 48 -7.359 -6.756 -0.990 1.00 0.00 C ATOM 692 O PHE A 48 -6.959 -7.100 -2.103 1.00 0.00 O ATOM 693 CB PHE A 48 -6.854 -8.001 1.144 1.00 0.00 C ATOM 694 CG PHE A 48 -7.762 -9.038 0.519 1.00 0.00 C ATOM 695 CD1 PHE A 48 -7.305 -9.892 -0.475 1.00 0.00 C ATOM 696 CD2 PHE A 48 -9.076 -9.163 0.942 1.00 0.00 C ATOM 697 CE1 PHE A 48 -8.137 -10.841 -1.030 1.00 0.00 C ATOM 698 CE2 PHE A 48 -9.914 -10.112 0.386 1.00 0.00 C ATOM 699 CZ PHE A 48 -9.444 -10.952 -0.601 1.00 0.00 C ATOM 0 H PHE A 48 -6.672 -5.662 1.958 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.428 -7.011 -0.114 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.948 -8.499 1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.350 -7.592 2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.284 -9.812 -0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -9.451 -8.510 1.717 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.765 -11.499 -1.802 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -10.936 -10.195 0.725 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.096 -11.694 -1.037 1.00 0.00 H new ATOM 709 N GLU A 49 -8.575 -6.273 -0.768 1.00 0.00 N ATOM 710 CA GLU A 49 -9.539 -6.103 -1.847 1.00 0.00 C ATOM 711 C GLU A 49 -9.032 -5.108 -2.892 1.00 0.00 C ATOM 712 O GLU A 49 -9.486 -5.121 -4.032 1.00 0.00 O ATOM 713 CB GLU A 49 -10.884 -5.632 -1.294 1.00 0.00 C ATOM 714 CG GLU A 49 -11.460 -6.538 -0.219 1.00 0.00 C ATOM 715 CD GLU A 49 -12.800 -6.051 0.290 1.00 0.00 C ATOM 716 OE1 GLU A 49 -12.829 -5.086 1.082 1.00 0.00 O ATOM 717 OE2 GLU A 49 -13.834 -6.627 -0.104 1.00 0.00 O ATOM 0 H GLU A 49 -8.917 -5.992 0.151 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.669 -7.072 -2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.766 -4.629 -0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.598 -5.559 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.571 -7.546 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.759 -6.600 0.613 1.00 0.00 H new ATOM 724 N ILE A 50 -8.115 -4.229 -2.485 1.00 0.00 N ATOM 725 CA ILE A 50 -7.493 -3.266 -3.397 1.00 0.00 C ATOM 726 C ILE A 50 -6.640 -3.964 -4.466 1.00 0.00 C ATOM 727 O ILE A 50 -6.908 -3.818 -5.659 1.00 0.00 O ATOM 728 CB ILE A 50 -6.623 -2.238 -2.619 1.00 0.00 C ATOM 729 CG1 ILE A 50 -7.469 -1.188 -1.888 1.00 0.00 C ATOM 730 CG2 ILE A 50 -5.638 -1.537 -3.538 1.00 0.00 C ATOM 731 CD1 ILE A 50 -8.910 -1.563 -1.662 1.00 0.00 C ATOM 0 H ILE A 50 -7.784 -4.164 -1.522 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.303 -2.736 -3.898 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.075 -2.813 -1.873 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.008 -0.984 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.438 -0.260 -2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.046 -0.826 -2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.977 -2.274 -3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.183 -1.007 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.419 -0.754 -1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.396 -1.736 -2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.960 -2.471 -1.061 1.00 0.00 H new ATOM 743 N ILE A 51 -5.626 -4.728 -4.042 1.00 0.00 N ATOM 744 CA ILE A 51 -4.735 -5.401 -4.995 1.00 0.00 C ATOM 745 C ILE A 51 -5.473 -6.540 -5.670 1.00 0.00 C ATOM 746 O ILE A 51 -5.225 -6.854 -6.836 1.00 0.00 O ATOM 747 CB ILE A 51 -3.403 -5.936 -4.369 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.642 -6.574 -2.979 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.381 -4.811 -4.293 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.527 -5.608 -1.810 1.00 0.00 C ATOM 0 H ILE A 51 -5.404 -4.894 -3.060 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.443 -4.640 -5.719 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.011 -6.723 -5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.635 -7.023 -2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.925 -7.383 -2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.456 -5.188 -3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.181 -4.432 -5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.772 -4.005 -3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.710 -6.142 -0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.526 -5.177 -1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.263 -4.812 -1.922 1.00 0.00 H new ATOM 762 N ASP A 52 -6.401 -7.143 -4.943 1.00 0.00 N ATOM 763 CA ASP A 52 -7.209 -8.212 -5.494 1.00 0.00 C ATOM 764 C ASP A 52 -8.363 -7.610 -6.301 1.00 0.00 C ATOM 765 O ASP A 52 -9.500 -7.581 -5.834 1.00 0.00 O ATOM 766 CB ASP A 52 -7.771 -9.107 -4.380 1.00 0.00 C ATOM 767 CG ASP A 52 -7.954 -10.553 -4.821 1.00 0.00 C ATOM 768 OD1 ASP A 52 -7.805 -10.849 -6.024 1.00 0.00 O ATOM 769 OD2 ASP A 52 -8.255 -11.410 -3.976 1.00 0.00 O ATOM 0 H ASP A 52 -6.611 -6.909 -3.973 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.581 -8.825 -6.141 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.100 -9.076 -3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.730 -8.709 -4.049 1.00 0.00 H new ATOM 774 N GLN A 53 -8.051 -7.099 -7.492 1.00 0.00 N ATOM 775 CA GLN A 53 -9.054 -6.518 -8.398 1.00 0.00 C ATOM 776 C GLN A 53 -10.232 -7.468 -8.580 1.00 0.00 C ATOM 777 O GLN A 53 -11.398 -7.084 -8.489 1.00 0.00 O ATOM 778 CB GLN A 53 -8.404 -6.242 -9.762 1.00 0.00 C ATOM 779 CG GLN A 53 -9.378 -5.802 -10.849 1.00 0.00 C ATOM 780 CD GLN A 53 -9.924 -4.410 -10.620 1.00 0.00 C ATOM 781 OE1 GLN A 53 -9.258 -3.564 -10.036 1.00 0.00 O ATOM 782 NE2 GLN A 53 -11.137 -4.161 -11.084 1.00 0.00 N ATOM 0 H GLN A 53 -7.100 -7.074 -7.859 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.422 -5.588 -7.964 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.644 -5.470 -9.639 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.891 -7.144 -10.095 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.875 -5.835 -11.816 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.206 -6.509 -10.896 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.659 -4.893 -11.565 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.550 -3.237 -10.961 1.00 0.00 H new ATOM 791 N ASP A 54 -9.888 -8.712 -8.828 1.00 0.00 N ATOM 792 CA ASP A 54 -10.859 -9.786 -9.043 1.00 0.00 C ATOM 793 C ASP A 54 -11.320 -10.386 -7.706 1.00 0.00 C ATOM 794 O ASP A 54 -12.272 -11.165 -7.657 1.00 0.00 O ATOM 795 CB ASP A 54 -10.220 -10.849 -9.950 1.00 0.00 C ATOM 796 CG ASP A 54 -11.032 -12.117 -10.086 1.00 0.00 C ATOM 797 OD1 ASP A 54 -12.154 -12.061 -10.629 1.00 0.00 O ATOM 798 OD2 ASP A 54 -10.535 -13.185 -9.665 1.00 0.00 O ATOM 0 H ASP A 54 -8.918 -9.020 -8.889 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.749 -9.388 -9.531 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.067 -10.421 -10.941 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.235 -11.102 -9.557 1.00 0.00 H new ATOM 803 N LYS A 55 -10.646 -9.973 -6.629 1.00 0.00 N ATOM 804 CA LYS A 55 -11.002 -10.322 -5.238 1.00 0.00 C ATOM 805 C LYS A 55 -11.431 -11.776 -5.052 1.00 0.00 C ATOM 806 O LYS A 55 -12.579 -12.068 -4.716 1.00 0.00 O ATOM 807 CB LYS A 55 -12.029 -9.344 -4.652 1.00 0.00 C ATOM 808 CG LYS A 55 -13.287 -9.150 -5.480 1.00 0.00 C ATOM 809 CD LYS A 55 -14.030 -7.902 -5.043 1.00 0.00 C ATOM 810 CE LYS A 55 -14.512 -7.999 -3.602 1.00 0.00 C ATOM 811 NZ LYS A 55 -15.480 -9.111 -3.403 1.00 0.00 N ATOM 0 H LYS A 55 -9.822 -9.376 -6.693 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.078 -10.220 -4.668 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.317 -9.696 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.548 -8.375 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.025 -9.073 -6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.935 -10.020 -5.375 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.377 -7.036 -5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.884 -7.740 -5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.655 -8.144 -2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.980 -7.058 -3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.919 -9.025 -2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -16.217 -9.065 -4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.982 -10.021 -3.470 1.00 0.00 H new ATOM 825 N SER A 56 -10.487 -12.678 -5.269 1.00 0.00 N ATOM 826 CA SER A 56 -10.733 -14.104 -5.127 1.00 0.00 C ATOM 827 C SER A 56 -9.744 -14.719 -4.140 1.00 0.00 C ATOM 828 O SER A 56 -9.357 -15.882 -4.276 1.00 0.00 O ATOM 829 CB SER A 56 -10.621 -14.780 -6.489 1.00 0.00 C ATOM 830 OG SER A 56 -11.416 -14.099 -7.440 1.00 0.00 O ATOM 0 H SER A 56 -9.534 -12.444 -5.547 1.00 0.00 H new ATOM 0 HA SER A 56 -11.740 -14.256 -4.738 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.581 -14.789 -6.814 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.941 -15.819 -6.414 1.00 0.00 H new ATOM 0 HG SER A 56 -10.869 -13.872 -8.221 1.00 0.00 H new ATOM 836 N ASP A 57 -9.318 -13.901 -3.171 1.00 0.00 N ATOM 837 CA ASP A 57 -8.386 -14.314 -2.112 1.00 0.00 C ATOM 838 C ASP A 57 -6.989 -14.562 -2.672 1.00 0.00 C ATOM 839 O ASP A 57 -6.104 -15.056 -1.973 1.00 0.00 O ATOM 840 CB ASP A 57 -8.887 -15.558 -1.363 1.00 0.00 C ATOM 841 CG ASP A 57 -10.145 -15.292 -0.559 1.00 0.00 C ATOM 842 OD1 ASP A 57 -10.058 -14.627 0.497 1.00 0.00 O ATOM 843 OD2 ASP A 57 -11.232 -15.759 -0.974 1.00 0.00 O ATOM 0 H ASP A 57 -9.611 -12.927 -3.098 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.333 -13.492 -1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.082 -16.355 -2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.103 -15.915 -0.695 1.00 0.00 H new ATOM 848 N PHE A 58 -6.800 -14.198 -3.932 1.00 0.00 N ATOM 849 CA PHE A 58 -5.522 -14.357 -4.612 1.00 0.00 C ATOM 850 C PHE A 58 -5.300 -13.183 -5.553 1.00 0.00 C ATOM 851 O PHE A 58 -6.163 -12.864 -6.380 1.00 0.00 O ATOM 852 CB PHE A 58 -5.470 -15.679 -5.387 1.00 0.00 C ATOM 853 CG PHE A 58 -5.388 -16.896 -4.506 1.00 0.00 C ATOM 854 CD1 PHE A 58 -4.164 -17.347 -4.042 1.00 0.00 C ATOM 855 CD2 PHE A 58 -6.535 -17.582 -4.138 1.00 0.00 C ATOM 856 CE1 PHE A 58 -4.085 -18.463 -3.230 1.00 0.00 C ATOM 857 CE2 PHE A 58 -6.461 -18.696 -3.326 1.00 0.00 C ATOM 858 CZ PHE A 58 -5.235 -19.137 -2.870 1.00 0.00 C ATOM 0 H PHE A 58 -7.529 -13.784 -4.513 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.729 -14.379 -3.865 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.357 -15.756 -6.016 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.607 -15.665 -6.053 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.262 -16.821 -4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.497 -17.241 -4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.124 -18.808 -2.877 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.362 -19.222 -3.048 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.175 -20.007 -2.233 1.00 0.00 H new ATOM 868 N VAL A 59 -4.155 -12.536 -5.413 1.00 0.00 N ATOM 869 CA VAL A 59 -3.871 -11.297 -6.120 1.00 0.00 C ATOM 870 C VAL A 59 -2.766 -11.483 -7.161 1.00 0.00 C ATOM 871 O VAL A 59 -1.587 -11.510 -6.822 1.00 0.00 O ATOM 872 CB VAL A 59 -3.439 -10.221 -5.118 1.00 0.00 C ATOM 873 CG1 VAL A 59 -3.151 -8.922 -5.814 1.00 0.00 C ATOM 874 CG2 VAL A 59 -4.486 -10.037 -4.034 1.00 0.00 C ATOM 0 H VAL A 59 -3.398 -12.853 -4.808 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.781 -10.992 -6.637 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.518 -10.557 -4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.847 -8.176 -5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.349 -9.067 -6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.048 -8.579 -6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.155 -9.268 -3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.430 -9.734 -4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.625 -10.977 -3.500 1.00 0.00 H new ATOM 884 N GLU A 60 -3.152 -11.616 -8.423 1.00 0.00 N ATOM 885 CA GLU A 60 -2.192 -11.810 -9.507 1.00 0.00 C ATOM 886 C GLU A 60 -1.799 -10.479 -10.158 1.00 0.00 C ATOM 887 O GLU A 60 -2.378 -9.439 -9.846 1.00 0.00 O ATOM 888 CB GLU A 60 -2.767 -12.758 -10.558 1.00 0.00 C ATOM 889 CG GLU A 60 -3.165 -14.110 -9.993 1.00 0.00 C ATOM 890 CD GLU A 60 -3.712 -15.043 -11.049 1.00 0.00 C ATOM 891 OE1 GLU A 60 -4.925 -14.973 -11.339 1.00 0.00 O ATOM 892 OE2 GLU A 60 -2.936 -15.854 -11.590 1.00 0.00 O ATOM 0 H GLU A 60 -4.126 -11.593 -8.724 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.292 -12.251 -9.078 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.639 -12.293 -11.018 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.030 -12.904 -11.347 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.298 -14.571 -9.520 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.915 -13.968 -9.215 1.00 0.00 H new ATOM 899 N GLU A 61 -0.838 -10.521 -11.078 1.00 0.00 N ATOM 900 CA GLU A 61 -0.380 -9.318 -11.778 1.00 0.00 C ATOM 901 C GLU A 61 -1.496 -8.718 -12.629 1.00 0.00 C ATOM 902 O GLU A 61 -1.621 -7.492 -12.730 1.00 0.00 O ATOM 903 CB GLU A 61 0.825 -9.644 -12.657 1.00 0.00 C ATOM 904 CG GLU A 61 1.202 -8.538 -13.631 1.00 0.00 C ATOM 905 CD GLU A 61 2.335 -8.944 -14.546 1.00 0.00 C ATOM 906 OE1 GLU A 61 2.119 -9.818 -15.411 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.445 -8.393 -14.408 1.00 0.00 O ATOM 0 H GLU A 61 -0.359 -11.377 -11.358 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.089 -8.583 -11.027 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.681 -9.857 -12.017 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.615 -10.553 -13.220 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.331 -8.271 -14.230 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.490 -7.647 -13.073 1.00 0.00 H new ATOM 914 N ASP A 62 -2.309 -9.590 -13.228 1.00 0.00 N ATOM 915 CA ASP A 62 -3.466 -9.162 -14.020 1.00 0.00 C ATOM 916 C ASP A 62 -4.316 -8.183 -13.229 1.00 0.00 C ATOM 917 O ASP A 62 -4.961 -7.295 -13.788 1.00 0.00 O ATOM 918 CB ASP A 62 -4.343 -10.357 -14.411 1.00 0.00 C ATOM 919 CG ASP A 62 -3.707 -11.267 -15.438 1.00 0.00 C ATOM 920 OD1 ASP A 62 -3.805 -10.969 -16.647 1.00 0.00 O ATOM 921 OD2 ASP A 62 -3.130 -12.305 -15.048 1.00 0.00 O ATOM 0 H ASP A 62 -2.187 -10.602 -13.180 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.083 -8.684 -14.922 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.572 -10.937 -13.517 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.291 -9.988 -14.803 1.00 0.00 H new ATOM 926 N GLU A 63 -4.294 -8.356 -11.919 1.00 0.00 N ATOM 927 CA GLU A 63 -5.083 -7.552 -11.016 1.00 0.00 C ATOM 928 C GLU A 63 -4.352 -6.275 -10.644 1.00 0.00 C ATOM 929 O GLU A 63 -4.956 -5.214 -10.602 1.00 0.00 O ATOM 930 CB GLU A 63 -5.416 -8.375 -9.783 1.00 0.00 C ATOM 931 CG GLU A 63 -6.196 -9.621 -10.140 1.00 0.00 C ATOM 932 CD GLU A 63 -6.609 -10.424 -8.943 1.00 0.00 C ATOM 933 OE1 GLU A 63 -5.853 -11.280 -8.472 1.00 0.00 O ATOM 934 OE2 GLU A 63 -7.721 -10.243 -8.449 1.00 0.00 O ATOM 0 H GLU A 63 -3.724 -9.063 -11.454 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.009 -7.258 -11.510 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.495 -8.655 -9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.995 -7.769 -9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.085 -9.336 -10.702 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.590 -10.245 -10.796 1.00 0.00 H new ATOM 941 N LEU A 64 -3.046 -6.381 -10.416 1.00 0.00 N ATOM 942 CA LEU A 64 -2.210 -5.219 -10.119 1.00 0.00 C ATOM 943 C LEU A 64 -2.276 -4.196 -11.243 1.00 0.00 C ATOM 944 O LEU A 64 -1.892 -3.043 -11.069 1.00 0.00 O ATOM 945 CB LEU A 64 -0.751 -5.627 -9.889 1.00 0.00 C ATOM 946 CG LEU A 64 -0.374 -5.993 -8.450 1.00 0.00 C ATOM 947 CD1 LEU A 64 -0.555 -4.806 -7.517 1.00 0.00 C ATOM 948 CD2 LEU A 64 -1.184 -7.180 -7.961 1.00 0.00 C ATOM 0 H LEU A 64 -2.540 -7.266 -10.431 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.599 -4.770 -9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.528 -6.480 -10.530 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.110 -4.808 -10.214 1.00 0.00 H new ATOM 0 HG LEU A 64 0.680 -6.272 -8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.280 -5.095 -6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.082 -3.985 -7.845 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.597 -4.486 -7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.897 -7.419 -6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.245 -6.934 -7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.992 -8.040 -8.602 1.00 0.00 H new ATOM 960 N LYS A 65 -2.722 -4.629 -12.407 1.00 0.00 N ATOM 961 CA LYS A 65 -2.875 -3.724 -13.524 1.00 0.00 C ATOM 962 C LYS A 65 -3.976 -2.700 -13.277 1.00 0.00 C ATOM 963 O LYS A 65 -3.729 -1.497 -13.313 1.00 0.00 O ATOM 964 CB LYS A 65 -3.151 -4.492 -14.817 1.00 0.00 C ATOM 965 CG LYS A 65 -1.937 -5.218 -15.362 1.00 0.00 C ATOM 966 CD LYS A 65 -0.735 -4.292 -15.411 1.00 0.00 C ATOM 967 CE LYS A 65 0.395 -4.848 -16.255 1.00 0.00 C ATOM 968 NZ LYS A 65 -0.067 -5.334 -17.582 1.00 0.00 N ATOM 0 H LYS A 65 -2.983 -5.596 -12.601 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.933 -3.185 -13.629 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.946 -5.215 -14.637 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.517 -3.796 -15.572 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.712 -6.081 -14.736 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.152 -5.596 -16.361 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.041 -3.326 -15.812 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.374 -4.117 -14.397 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.150 -4.075 -16.398 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.874 -5.667 -15.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.692 -5.208 -18.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.313 -6.342 -17.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.904 -4.792 -17.878 1.00 0.00 H new ATOM 982 N LEU A 66 -5.193 -3.168 -13.045 1.00 0.00 N ATOM 983 CA LEU A 66 -6.320 -2.261 -12.869 1.00 0.00 C ATOM 984 C LEU A 66 -6.701 -2.101 -11.406 1.00 0.00 C ATOM 985 O LEU A 66 -7.677 -1.412 -11.090 1.00 0.00 O ATOM 986 CB LEU A 66 -7.525 -2.707 -13.703 1.00 0.00 C ATOM 987 CG LEU A 66 -7.288 -2.724 -15.218 1.00 0.00 C ATOM 988 CD1 LEU A 66 -6.373 -1.576 -15.635 1.00 0.00 C ATOM 989 CD2 LEU A 66 -6.716 -4.062 -15.661 1.00 0.00 C ATOM 0 H LEU A 66 -5.426 -4.159 -12.975 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.001 -1.283 -13.229 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.819 -3.707 -13.384 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.363 -2.044 -13.488 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.249 -2.588 -15.714 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.218 -1.607 -16.714 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.833 -0.626 -15.362 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.413 -1.673 -15.128 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.556 -4.050 -16.739 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.766 -4.237 -15.155 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.415 -4.859 -15.406 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.920 -2.710 -10.513 1.00 0.00 N ATOM 1002 CA PHE A 67 -6.184 -2.610 -9.076 1.00 0.00 C ATOM 1003 C PHE A 67 -6.182 -1.133 -8.672 1.00 0.00 C ATOM 1004 O PHE A 67 -6.794 -0.733 -7.682 1.00 0.00 O ATOM 1005 CB PHE A 67 -5.146 -3.402 -8.255 1.00 0.00 C ATOM 1006 CG PHE A 67 -4.011 -2.591 -7.685 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -2.866 -2.355 -8.419 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -4.088 -2.082 -6.402 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -1.819 -1.626 -7.887 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -3.048 -1.349 -5.864 1.00 0.00 C ATOM 1011 CZ PHE A 67 -1.911 -1.122 -6.607 1.00 0.00 C ATOM 0 H PHE A 67 -5.105 -3.274 -10.756 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.160 -3.047 -8.865 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.662 -3.899 -7.434 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.728 -4.184 -8.889 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.787 -2.745 -9.423 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.975 -2.260 -5.811 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.929 -1.451 -8.474 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.127 -0.954 -4.862 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.095 -0.552 -6.189 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.471 -0.333 -9.468 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.413 1.109 -9.284 1.00 0.00 C ATOM 1023 C LEU A 68 -6.801 1.708 -9.383 1.00 0.00 C ATOM 1024 O LEU A 68 -7.264 2.370 -8.458 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.515 1.773 -10.343 1.00 0.00 C ATOM 1026 CG LEU A 68 -3.029 1.404 -10.335 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.426 1.574 -8.948 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -2.817 -0.005 -10.860 1.00 0.00 C ATOM 0 H LEU A 68 -4.921 -0.671 -10.257 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.994 1.294 -8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.917 1.530 -11.327 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.595 2.853 -10.223 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.510 2.091 -11.004 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.370 1.304 -8.975 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.527 2.612 -8.632 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.948 0.927 -8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.753 -0.243 -10.844 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.357 -0.713 -10.231 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.189 -0.072 -11.883 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.462 1.442 -10.506 1.00 0.00 N ATOM 1041 CA GLN A 69 -8.803 1.957 -10.766 1.00 0.00 C ATOM 1042 C GLN A 69 -9.772 1.445 -9.714 1.00 0.00 C ATOM 1043 O GLN A 69 -10.831 2.030 -9.481 1.00 0.00 O ATOM 1044 CB GLN A 69 -9.278 1.515 -12.150 1.00 0.00 C ATOM 1045 CG GLN A 69 -8.329 1.877 -13.279 1.00 0.00 C ATOM 1046 CD GLN A 69 -8.811 1.358 -14.619 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -9.465 0.320 -14.693 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -8.498 2.075 -15.685 1.00 0.00 N ATOM 0 H GLN A 69 -7.085 0.866 -11.259 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.770 3.046 -10.727 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.423 0.435 -12.144 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.250 1.966 -12.349 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.222 2.961 -13.328 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.341 1.468 -13.067 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.953 2.931 -15.582 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.801 1.772 -16.611 1.00 0.00 H new ATOM 1057 N ASN A 70 -9.388 0.350 -9.080 1.00 0.00 N ATOM 1058 CA ASN A 70 -10.211 -0.275 -8.055 1.00 0.00 C ATOM 1059 C ASN A 70 -10.156 0.537 -6.771 1.00 0.00 C ATOM 1060 O ASN A 70 -11.161 0.709 -6.081 1.00 0.00 O ATOM 1061 CB ASN A 70 -9.726 -1.699 -7.803 1.00 0.00 C ATOM 1062 CG ASN A 70 -10.489 -2.415 -6.709 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -11.679 -2.175 -6.491 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -9.803 -3.301 -6.013 1.00 0.00 N ATOM 0 H ASN A 70 -8.505 -0.128 -9.258 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.245 -0.309 -8.399 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.810 -2.271 -8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.669 -1.672 -7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.256 -3.819 -5.260 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.820 -3.468 -6.228 1.00 0.00 H new ATOM 1071 N PHE A 71 -8.975 1.047 -6.466 1.00 0.00 N ATOM 1072 CA PHE A 71 -8.766 1.822 -5.257 1.00 0.00 C ATOM 1073 C PHE A 71 -9.149 3.281 -5.491 1.00 0.00 C ATOM 1074 O PHE A 71 -9.782 3.913 -4.643 1.00 0.00 O ATOM 1075 CB PHE A 71 -7.302 1.706 -4.822 1.00 0.00 C ATOM 1076 CG PHE A 71 -7.013 2.196 -3.428 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -7.932 2.023 -2.403 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -5.803 2.803 -3.138 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -7.649 2.449 -1.121 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -5.517 3.234 -1.857 1.00 0.00 C ATOM 1081 CZ PHE A 71 -6.440 3.057 -0.847 1.00 0.00 C ATOM 0 H PHE A 71 -8.142 0.937 -7.044 1.00 0.00 H new ATOM 0 HA PHE A 71 -9.401 1.430 -4.462 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.999 0.662 -4.894 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.684 2.267 -5.524 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.880 1.549 -2.611 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.074 2.941 -3.923 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -8.373 2.307 -0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.571 3.710 -1.646 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.218 3.393 0.155 1.00 0.00 H new ATOM 1091 N SER A 72 -8.766 3.806 -6.649 1.00 0.00 N ATOM 1092 CA SER A 72 -9.078 5.178 -7.025 1.00 0.00 C ATOM 1093 C SER A 72 -9.146 5.305 -8.547 1.00 0.00 C ATOM 1094 O SER A 72 -8.293 4.785 -9.266 1.00 0.00 O ATOM 1095 CB SER A 72 -8.027 6.131 -6.451 1.00 0.00 C ATOM 1096 OG SER A 72 -7.975 6.034 -5.037 1.00 0.00 O ATOM 0 H SER A 72 -8.232 3.294 -7.351 1.00 0.00 H new ATOM 0 HA SER A 72 -10.051 5.446 -6.613 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.049 5.897 -6.872 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.262 7.155 -6.741 1.00 0.00 H new ATOM 0 HG SER A 72 -7.704 6.897 -4.660 1.00 0.00 H new ATOM 1102 N ALA A 73 -10.166 6.004 -9.032 1.00 0.00 N ATOM 1103 CA ALA A 73 -10.439 6.079 -10.465 1.00 0.00 C ATOM 1104 C ALA A 73 -9.394 6.905 -11.210 1.00 0.00 C ATOM 1105 O ALA A 73 -9.214 6.744 -12.418 1.00 0.00 O ATOM 1106 CB ALA A 73 -11.829 6.649 -10.704 1.00 0.00 C ATOM 0 H ALA A 73 -10.821 6.529 -8.452 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.390 5.064 -10.859 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.022 6.700 -11.776 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.572 6.006 -10.232 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.891 7.650 -10.276 1.00 0.00 H new ATOM 1112 N GLY A 74 -8.703 7.780 -10.494 1.00 0.00 N ATOM 1113 CA GLY A 74 -7.693 8.615 -11.115 1.00 0.00 C ATOM 1114 C GLY A 74 -6.292 8.094 -10.878 1.00 0.00 C ATOM 1115 O GLY A 74 -5.324 8.857 -10.885 1.00 0.00 O ATOM 0 H GLY A 74 -8.823 7.927 -9.492 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.881 8.672 -12.187 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.772 9.629 -10.723 1.00 0.00 H new ATOM 1119 N ALA A 75 -6.181 6.793 -10.665 1.00 0.00 N ATOM 1120 CA ALA A 75 -4.895 6.164 -10.419 1.00 0.00 C ATOM 1121 C ALA A 75 -4.271 5.671 -11.722 1.00 0.00 C ATOM 1122 O ALA A 75 -4.974 5.392 -12.694 1.00 0.00 O ATOM 1123 CB ALA A 75 -5.060 5.022 -9.434 1.00 0.00 C ATOM 0 H ALA A 75 -6.972 6.149 -10.658 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.221 6.904 -9.989 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.092 4.554 -9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.458 5.406 -8.495 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.749 4.284 -9.845 1.00 0.00 H new ATOM 1129 N ARG A 76 -2.947 5.570 -11.733 1.00 0.00 N ATOM 1130 CA ARG A 76 -2.207 5.202 -12.931 1.00 0.00 C ATOM 1131 C ARG A 76 -1.920 3.707 -12.949 1.00 0.00 C ATOM 1132 O ARG A 76 -1.371 3.176 -11.987 1.00 0.00 O ATOM 1133 CB ARG A 76 -0.883 5.972 -12.984 1.00 0.00 C ATOM 1134 CG ARG A 76 -1.032 7.472 -12.794 1.00 0.00 C ATOM 1135 CD ARG A 76 -1.801 8.108 -13.935 1.00 0.00 C ATOM 1136 NE ARG A 76 -1.059 8.049 -15.195 1.00 0.00 N ATOM 1137 CZ ARG A 76 -1.618 8.114 -16.403 1.00 0.00 C ATOM 1138 NH1 ARG A 76 -2.938 8.201 -16.526 1.00 0.00 N ATOM 1139 NH2 ARG A 76 -0.854 8.077 -17.488 1.00 0.00 N ATOM 0 H ARG A 76 -2.360 5.740 -10.916 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.815 5.455 -13.799 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.217 5.583 -12.214 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.403 5.784 -13.944 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.546 7.670 -11.854 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.045 7.929 -12.721 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.759 7.601 -14.054 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.019 9.148 -13.691 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.045 7.951 -15.145 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.528 8.218 -15.694 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.362 8.251 -17.453 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.159 7.999 -17.396 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.280 8.127 -18.414 1.00 0.00 H new ATOM 1153 N ALA A 77 -2.283 3.035 -14.042 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.026 1.604 -14.177 1.00 0.00 C ATOM 1155 C ALA A 77 -0.532 1.330 -14.184 1.00 0.00 C ATOM 1156 O ALA A 77 0.231 1.979 -14.907 1.00 0.00 O ATOM 1157 CB ALA A 77 -2.661 1.038 -15.443 1.00 0.00 C ATOM 0 H ALA A 77 -2.754 3.458 -14.842 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.479 1.108 -13.318 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.449 -0.029 -15.511 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.739 1.192 -15.409 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.249 1.546 -16.315 1.00 0.00 H new ATOM 1163 N LEU A 78 -0.123 0.373 -13.371 1.00 0.00 N ATOM 1164 CA LEU A 78 1.273 0.003 -13.275 1.00 0.00 C ATOM 1165 C LEU A 78 1.634 -0.947 -14.405 1.00 0.00 C ATOM 1166 O LEU A 78 1.093 -2.046 -14.495 1.00 0.00 O ATOM 1167 CB LEU A 78 1.551 -0.655 -11.922 1.00 0.00 C ATOM 1168 CG LEU A 78 1.123 0.163 -10.700 1.00 0.00 C ATOM 1169 CD1 LEU A 78 1.499 -0.562 -9.421 1.00 0.00 C ATOM 1170 CD2 LEU A 78 1.740 1.555 -10.728 1.00 0.00 C ATOM 0 H LEU A 78 -0.744 -0.164 -12.765 1.00 0.00 H new ATOM 0 HA LEU A 78 1.885 0.901 -13.359 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.040 -1.618 -11.892 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.619 -0.858 -11.847 1.00 0.00 H new ATOM 0 HG LEU A 78 0.039 0.277 -10.731 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.188 0.032 -8.561 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.000 -1.531 -9.392 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.579 -0.708 -9.390 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.419 2.113 -9.849 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.827 1.471 -10.728 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.417 2.078 -11.628 1.00 0.00 H new ATOM 1182 N SER A 79 2.551 -0.531 -15.259 1.00 0.00 N ATOM 1183 CA SER A 79 2.898 -1.312 -16.433 1.00 0.00 C ATOM 1184 C SER A 79 4.387 -1.638 -16.495 1.00 0.00 C ATOM 1185 O SER A 79 5.229 -0.761 -16.337 1.00 0.00 O ATOM 1186 CB SER A 79 2.468 -0.547 -17.682 1.00 0.00 C ATOM 1187 OG SER A 79 2.810 0.828 -17.579 1.00 0.00 O ATOM 0 H SER A 79 3.069 0.342 -15.162 1.00 0.00 H new ATOM 0 HA SER A 79 2.372 -2.265 -16.375 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.946 -0.980 -18.561 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.392 -0.648 -17.823 1.00 0.00 H new ATOM 0 HG SER A 79 3.371 0.967 -16.788 1.00 0.00 H new ATOM 1193 N ASP A 80 4.692 -2.915 -16.719 1.00 0.00 N ATOM 1194 CA ASP A 80 6.069 -3.379 -16.904 1.00 0.00 C ATOM 1195 C ASP A 80 6.927 -3.166 -15.673 1.00 0.00 C ATOM 1196 O ASP A 80 6.951 -4.007 -14.775 1.00 0.00 O ATOM 1197 CB ASP A 80 6.721 -2.716 -18.122 1.00 0.00 C ATOM 1198 CG ASP A 80 6.419 -3.437 -19.417 1.00 0.00 C ATOM 1199 OD1 ASP A 80 5.284 -3.319 -19.928 1.00 0.00 O ATOM 1200 OD2 ASP A 80 7.324 -4.118 -19.941 1.00 0.00 O ATOM 0 H ASP A 80 3.994 -3.657 -16.778 1.00 0.00 H new ATOM 0 HA ASP A 80 6.007 -4.453 -17.077 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.375 -1.685 -18.197 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.800 -2.680 -17.975 1.00 0.00 H new ATOM 1205 N ALA A 81 7.614 -2.041 -15.618 1.00 0.00 N ATOM 1206 CA ALA A 81 8.633 -1.845 -14.613 1.00 0.00 C ATOM 1207 C ALA A 81 8.037 -1.523 -13.249 1.00 0.00 C ATOM 1208 O ALA A 81 8.452 -2.094 -12.242 1.00 0.00 O ATOM 1209 CB ALA A 81 9.609 -0.761 -15.045 1.00 0.00 C ATOM 0 H ALA A 81 7.484 -1.255 -16.255 1.00 0.00 H new ATOM 0 HA ALA A 81 9.176 -2.785 -14.513 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.369 -0.628 -14.275 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.087 -1.053 -15.980 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.071 0.176 -15.190 1.00 0.00 H new ATOM 1215 N GLU A 82 7.058 -0.627 -13.205 1.00 0.00 N ATOM 1216 CA GLU A 82 6.469 -0.240 -11.940 1.00 0.00 C ATOM 1217 C GLU A 82 5.663 -1.378 -11.347 1.00 0.00 C ATOM 1218 O GLU A 82 5.602 -1.506 -10.138 1.00 0.00 O ATOM 1219 CB GLU A 82 5.624 1.030 -12.071 1.00 0.00 C ATOM 1220 CG GLU A 82 4.508 0.955 -13.097 1.00 0.00 C ATOM 1221 CD GLU A 82 4.928 1.424 -14.473 1.00 0.00 C ATOM 1222 OE1 GLU A 82 6.142 1.441 -14.754 1.00 0.00 O ATOM 1223 OE2 GLU A 82 4.035 1.755 -15.284 1.00 0.00 O ATOM 0 H GLU A 82 6.663 -0.163 -14.023 1.00 0.00 H new ATOM 0 HA GLU A 82 7.286 -0.012 -11.255 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.188 1.260 -11.099 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.281 1.860 -12.331 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.154 -0.074 -13.164 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.668 1.560 -12.755 1.00 0.00 H new ATOM 1230 N THR A 83 5.070 -2.218 -12.183 1.00 0.00 N ATOM 1231 CA THR A 83 4.400 -3.406 -11.681 1.00 0.00 C ATOM 1232 C THR A 83 5.429 -4.361 -11.088 1.00 0.00 C ATOM 1233 O THR A 83 5.226 -4.918 -10.016 1.00 0.00 O ATOM 1234 CB THR A 83 3.630 -4.140 -12.787 1.00 0.00 C ATOM 1235 OG1 THR A 83 3.447 -3.270 -13.908 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.272 -4.611 -12.284 1.00 0.00 C ATOM 0 H THR A 83 5.039 -2.101 -13.196 1.00 0.00 H new ATOM 0 HA THR A 83 3.688 -3.083 -10.921 1.00 0.00 H new ATOM 0 HB THR A 83 4.211 -5.012 -13.087 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.495 -3.061 -14.008 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.746 -5.128 -13.087 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.411 -5.291 -11.444 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.685 -3.751 -11.961 1.00 0.00 H new ATOM 1244 N LYS A 84 6.548 -4.511 -11.790 1.00 0.00 N ATOM 1245 CA LYS A 84 7.607 -5.426 -11.385 1.00 0.00 C ATOM 1246 C LYS A 84 8.163 -5.051 -10.011 1.00 0.00 C ATOM 1247 O LYS A 84 8.198 -5.881 -9.099 1.00 0.00 O ATOM 1248 CB LYS A 84 8.725 -5.412 -12.433 1.00 0.00 C ATOM 1249 CG LYS A 84 9.788 -6.479 -12.228 1.00 0.00 C ATOM 1250 CD LYS A 84 9.213 -7.879 -12.386 1.00 0.00 C ATOM 1251 CE LYS A 84 10.307 -8.934 -12.411 1.00 0.00 C ATOM 1252 NZ LYS A 84 11.234 -8.755 -13.561 1.00 0.00 N ATOM 0 H LYS A 84 6.745 -4.003 -12.652 1.00 0.00 H new ATOM 0 HA LYS A 84 7.190 -6.430 -11.313 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.283 -5.541 -13.421 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.203 -4.433 -12.424 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.595 -6.333 -12.947 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.223 -6.374 -11.234 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.526 -8.086 -11.565 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.634 -7.933 -13.308 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.873 -8.891 -11.480 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.854 -9.924 -12.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.774 -9.631 -13.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.686 -8.535 -14.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.890 -7.974 -13.359 1.00 0.00 H new ATOM 1266 N VAL A 85 8.585 -3.801 -9.867 1.00 0.00 N ATOM 1267 CA VAL A 85 9.153 -3.325 -8.612 1.00 0.00 C ATOM 1268 C VAL A 85 8.094 -3.296 -7.512 1.00 0.00 C ATOM 1269 O VAL A 85 8.345 -3.722 -6.383 1.00 0.00 O ATOM 1270 CB VAL A 85 9.764 -1.915 -8.763 1.00 0.00 C ATOM 1271 CG1 VAL A 85 10.408 -1.463 -7.461 1.00 0.00 C ATOM 1272 CG2 VAL A 85 10.778 -1.886 -9.896 1.00 0.00 C ATOM 0 H VAL A 85 8.545 -3.098 -10.605 1.00 0.00 H new ATOM 0 HA VAL A 85 9.945 -4.022 -8.337 1.00 0.00 H new ATOM 0 HB VAL A 85 8.958 -1.222 -9.005 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.832 -0.467 -7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.656 -1.437 -6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.199 -2.161 -7.185 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.196 -0.883 -9.985 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.578 -2.595 -9.686 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.287 -2.159 -10.830 1.00 0.00 H new ATOM 1282 N PHE A 86 6.910 -2.805 -7.857 1.00 0.00 N ATOM 1283 CA PHE A 86 5.809 -2.700 -6.911 1.00 0.00 C ATOM 1284 C PHE A 86 5.412 -4.075 -6.378 1.00 0.00 C ATOM 1285 O PHE A 86 5.144 -4.230 -5.188 1.00 0.00 O ATOM 1286 CB PHE A 86 4.615 -2.016 -7.578 1.00 0.00 C ATOM 1287 CG PHE A 86 3.465 -1.742 -6.648 1.00 0.00 C ATOM 1288 CD1 PHE A 86 3.416 -0.562 -5.923 1.00 0.00 C ATOM 1289 CD2 PHE A 86 2.437 -2.658 -6.498 1.00 0.00 C ATOM 1290 CE1 PHE A 86 2.364 -0.300 -5.066 1.00 0.00 C ATOM 1291 CE2 PHE A 86 1.383 -2.402 -5.641 1.00 0.00 C ATOM 1292 CZ PHE A 86 1.346 -1.222 -4.924 1.00 0.00 C ATOM 0 H PHE A 86 6.688 -2.471 -8.795 1.00 0.00 H new ATOM 0 HA PHE A 86 6.136 -2.097 -6.064 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.947 -1.074 -8.015 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.263 -2.642 -8.398 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.210 0.162 -6.029 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.459 -3.582 -7.057 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.338 0.624 -4.508 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.588 -3.125 -5.532 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.523 -1.021 -4.254 1.00 0.00 H new ATOM 1302 N LEU A 87 5.376 -5.071 -7.258 1.00 0.00 N ATOM 1303 CA LEU A 87 5.086 -6.437 -6.845 1.00 0.00 C ATOM 1304 C LEU A 87 6.156 -6.937 -5.887 1.00 0.00 C ATOM 1305 O LEU A 87 5.849 -7.354 -4.776 1.00 0.00 O ATOM 1306 CB LEU A 87 4.995 -7.379 -8.052 1.00 0.00 C ATOM 1307 CG LEU A 87 3.729 -7.252 -8.903 1.00 0.00 C ATOM 1308 CD1 LEU A 87 3.836 -8.118 -10.148 1.00 0.00 C ATOM 1309 CD2 LEU A 87 2.496 -7.638 -8.098 1.00 0.00 C ATOM 0 H LEU A 87 5.544 -4.957 -8.258 1.00 0.00 H new ATOM 0 HA LEU A 87 4.120 -6.431 -6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.859 -7.203 -8.692 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.068 -8.406 -7.694 1.00 0.00 H new ATOM 0 HG LEU A 87 3.628 -6.211 -9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.927 -8.016 -10.742 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.694 -7.800 -10.740 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.963 -9.160 -9.856 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.608 -7.540 -8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.590 -8.670 -7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.405 -6.980 -7.233 1.00 0.00 H new ATOM 1321 N LYS A 88 7.414 -6.850 -6.312 1.00 0.00 N ATOM 1322 CA LYS A 88 8.537 -7.359 -5.525 1.00 0.00 C ATOM 1323 C LYS A 88 8.693 -6.621 -4.197 1.00 0.00 C ATOM 1324 O LYS A 88 9.382 -7.101 -3.294 1.00 0.00 O ATOM 1325 CB LYS A 88 9.840 -7.270 -6.323 1.00 0.00 C ATOM 1326 CG LYS A 88 9.918 -8.237 -7.492 1.00 0.00 C ATOM 1327 CD LYS A 88 9.890 -9.676 -7.010 1.00 0.00 C ATOM 1328 CE LYS A 88 10.263 -10.653 -8.116 1.00 0.00 C ATOM 1329 NZ LYS A 88 11.684 -10.512 -8.532 1.00 0.00 N ATOM 0 H LYS A 88 7.683 -6.430 -7.202 1.00 0.00 H new ATOM 0 HA LYS A 88 8.319 -8.403 -5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.955 -6.253 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.678 -7.459 -5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.084 -8.061 -8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.832 -8.057 -8.057 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.581 -9.792 -6.175 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.894 -9.914 -6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.086 -11.672 -7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.616 -10.489 -8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.982 -11.366 -9.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.784 -9.682 -9.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 12.282 -10.389 -7.690 1.00 0.00 H new ATOM 1343 N ALA A 89 8.080 -5.448 -4.085 1.00 0.00 N ATOM 1344 CA ALA A 89 8.074 -4.708 -2.829 1.00 0.00 C ATOM 1345 C ALA A 89 7.430 -5.545 -1.731 1.00 0.00 C ATOM 1346 O ALA A 89 7.836 -5.489 -0.571 1.00 0.00 O ATOM 1347 CB ALA A 89 7.333 -3.389 -2.986 1.00 0.00 C ATOM 0 H ALA A 89 7.581 -4.990 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 89 9.106 -4.492 -2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.340 -2.852 -2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.824 -2.784 -3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.303 -3.584 -3.285 1.00 0.00 H new ATOM 1353 N GLY A 90 6.434 -6.330 -2.114 1.00 0.00 N ATOM 1354 CA GLY A 90 5.750 -7.184 -1.166 1.00 0.00 C ATOM 1355 C GLY A 90 5.967 -8.648 -1.471 1.00 0.00 C ATOM 1356 O GLY A 90 6.316 -9.426 -0.584 1.00 0.00 O ATOM 0 H GLY A 90 6.086 -6.391 -3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 90 6.105 -6.966 -0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.683 -6.964 -1.183 1.00 0.00 H new ATOM 1360 N ASP A 91 5.765 -9.013 -2.734 1.00 0.00 N ATOM 1361 CA ASP A 91 5.964 -10.381 -3.200 1.00 0.00 C ATOM 1362 C ASP A 91 7.416 -10.794 -2.991 1.00 0.00 C ATOM 1363 O ASP A 91 8.295 -10.405 -3.761 1.00 0.00 O ATOM 1364 CB ASP A 91 5.629 -10.486 -4.683 1.00 0.00 C ATOM 1365 CG ASP A 91 5.677 -11.914 -5.166 1.00 0.00 C ATOM 1366 OD1 ASP A 91 5.134 -12.794 -4.465 1.00 0.00 O ATOM 1367 OD2 ASP A 91 6.237 -12.168 -6.246 1.00 0.00 O ATOM 0 H ASP A 91 5.459 -8.368 -3.463 1.00 0.00 H new ATOM 0 HA ASP A 91 5.307 -11.039 -2.631 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.636 -10.075 -4.862 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.332 -9.883 -5.258 1.00 0.00 H new ATOM 1372 N SER A 92 7.673 -11.574 -1.956 1.00 0.00 N ATOM 1373 CA SER A 92 9.037 -11.924 -1.607 1.00 0.00 C ATOM 1374 C SER A 92 9.409 -13.277 -2.191 1.00 0.00 C ATOM 1375 O SER A 92 10.588 -13.582 -2.380 1.00 0.00 O ATOM 1376 CB SER A 92 9.213 -11.922 -0.087 1.00 0.00 C ATOM 1377 OG SER A 92 8.278 -12.783 0.547 1.00 0.00 O ATOM 0 H SER A 92 6.960 -11.974 -1.346 1.00 0.00 H new ATOM 0 HA SER A 92 9.707 -11.177 -2.032 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.226 -12.236 0.163 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.091 -10.908 0.293 1.00 0.00 H new ATOM 0 HG SER A 92 7.387 -12.376 0.519 1.00 0.00 H new ATOM 1383 N ASP A 93 8.398 -14.080 -2.497 1.00 0.00 N ATOM 1384 CA ASP A 93 8.630 -15.412 -3.048 1.00 0.00 C ATOM 1385 C ASP A 93 8.832 -15.345 -4.559 1.00 0.00 C ATOM 1386 O ASP A 93 9.165 -16.339 -5.206 1.00 0.00 O ATOM 1387 CB ASP A 93 7.488 -16.372 -2.691 1.00 0.00 C ATOM 1388 CG ASP A 93 6.187 -16.050 -3.396 1.00 0.00 C ATOM 1389 OD1 ASP A 93 5.626 -14.957 -3.164 1.00 0.00 O ATOM 1390 OD2 ASP A 93 5.696 -16.893 -4.165 1.00 0.00 O ATOM 0 H ASP A 93 7.415 -13.836 -2.375 1.00 0.00 H new ATOM 0 HA ASP A 93 9.543 -15.803 -2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.787 -17.389 -2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.325 -16.345 -1.614 1.00 0.00 H new ATOM 1395 N GLY A 94 8.628 -14.149 -5.107 1.00 0.00 N ATOM 1396 CA GLY A 94 8.950 -13.880 -6.495 1.00 0.00 C ATOM 1397 C GLY A 94 8.074 -14.630 -7.475 1.00 0.00 C ATOM 1398 O GLY A 94 8.575 -15.235 -8.422 1.00 0.00 O ATOM 0 H GLY A 94 8.239 -13.352 -4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.856 -12.810 -6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.992 -14.144 -6.676 1.00 0.00 H new ATOM 1402 N ASP A 95 6.770 -14.580 -7.270 1.00 0.00 N ATOM 1403 CA ASP A 95 5.845 -15.270 -8.154 1.00 0.00 C ATOM 1404 C ASP A 95 5.065 -14.267 -8.998 1.00 0.00 C ATOM 1405 O ASP A 95 4.361 -14.644 -9.936 1.00 0.00 O ATOM 1406 CB ASP A 95 4.892 -16.174 -7.362 1.00 0.00 C ATOM 1407 CG ASP A 95 3.753 -15.425 -6.701 1.00 0.00 C ATOM 1408 OD1 ASP A 95 3.989 -14.741 -5.674 1.00 0.00 O ATOM 1409 OD2 ASP A 95 2.613 -15.532 -7.194 1.00 0.00 O ATOM 0 H ASP A 95 6.328 -14.072 -6.504 1.00 0.00 H new ATOM 0 HA ASP A 95 6.426 -15.905 -8.823 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.479 -16.928 -8.032 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.459 -16.704 -6.597 1.00 0.00 H new ATOM 1414 N GLY A 96 5.205 -12.985 -8.671 1.00 0.00 N ATOM 1415 CA GLY A 96 4.564 -11.946 -9.460 1.00 0.00 C ATOM 1416 C GLY A 96 3.174 -11.621 -8.957 1.00 0.00 C ATOM 1417 O GLY A 96 2.302 -11.212 -9.724 1.00 0.00 O ATOM 0 H GLY A 96 5.749 -12.648 -7.877 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.177 -11.045 -9.437 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.506 -12.266 -10.500 1.00 0.00 H new ATOM 1421 N LYS A 97 2.971 -11.811 -7.668 1.00 0.00 N ATOM 1422 CA LYS A 97 1.667 -11.637 -7.052 1.00 0.00 C ATOM 1423 C LYS A 97 1.807 -10.938 -5.723 1.00 0.00 C ATOM 1424 O LYS A 97 2.782 -11.130 -5.005 1.00 0.00 O ATOM 1425 CB LYS A 97 1.019 -13.007 -6.847 1.00 0.00 C ATOM 1426 CG LYS A 97 0.623 -13.293 -5.402 1.00 0.00 C ATOM 1427 CD LYS A 97 0.124 -14.721 -5.208 1.00 0.00 C ATOM 1428 CE LYS A 97 -0.880 -15.137 -6.279 1.00 0.00 C ATOM 1429 NZ LYS A 97 -0.215 -15.767 -7.452 1.00 0.00 N ATOM 0 H LYS A 97 3.705 -12.090 -7.017 1.00 0.00 H new ATOM 0 HA LYS A 97 1.042 -11.028 -7.704 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.132 -13.077 -7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.711 -13.779 -7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.480 -13.119 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.156 -12.594 -5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.973 -15.405 -5.224 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.339 -14.811 -4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.598 -15.836 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.443 -14.263 -6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.476 -15.252 -8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.817 -15.732 -7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.521 -16.758 -7.534 1.00 0.00 H new ATOM 1443 N ILE A 98 0.820 -10.149 -5.389 1.00 0.00 N ATOM 1444 CA ILE A 98 0.804 -9.514 -4.104 1.00 0.00 C ATOM 1445 C ILE A 98 0.029 -10.363 -3.122 1.00 0.00 C ATOM 1446 O ILE A 98 -1.202 -10.364 -3.112 1.00 0.00 O ATOM 1447 CB ILE A 98 0.197 -8.100 -4.161 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.131 -7.145 -4.905 1.00 0.00 C ATOM 1449 CG2 ILE A 98 -0.083 -7.580 -2.763 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.487 -6.982 -4.249 1.00 0.00 C ATOM 0 H ILE A 98 0.022 -9.933 -5.987 1.00 0.00 H new ATOM 0 HA ILE A 98 1.839 -9.414 -3.776 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.747 -8.156 -4.703 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.271 -7.508 -5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.653 -6.168 -4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.511 -6.580 -2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.786 -8.245 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.847 -7.541 -2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.093 -6.290 -4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.358 -6.589 -3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.986 -7.950 -4.200 1.00 0.00 H new ATOM 1462 N GLY A 99 0.751 -11.131 -2.333 1.00 0.00 N ATOM 1463 CA GLY A 99 0.141 -11.717 -1.174 1.00 0.00 C ATOM 1464 C GLY A 99 -0.275 -10.605 -0.252 1.00 0.00 C ATOM 1465 O GLY A 99 0.439 -9.618 -0.125 1.00 0.00 O ATOM 0 H GLY A 99 1.736 -11.356 -2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.723 -12.317 -1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.841 -12.385 -0.672 1.00 0.00 H new ATOM 1469 N VAL A 100 -1.424 -10.720 0.359 1.00 0.00 N ATOM 1470 CA VAL A 100 -1.929 -9.647 1.192 1.00 0.00 C ATOM 1471 C VAL A 100 -1.009 -9.405 2.380 1.00 0.00 C ATOM 1472 O VAL A 100 -0.734 -8.263 2.756 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.345 -9.964 1.660 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -3.853 -8.905 2.623 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -4.249 -10.098 0.447 1.00 0.00 C ATOM 0 H VAL A 100 -2.029 -11.539 0.300 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.957 -8.733 0.598 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.344 -10.908 2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.865 -9.157 2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.200 -8.862 3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.859 -7.935 2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.264 -10.325 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.248 -9.163 -0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.885 -10.903 -0.191 1.00 0.00 H new ATOM 1485 N ASP A 101 -0.515 -10.488 2.950 1.00 0.00 N ATOM 1486 CA ASP A 101 0.487 -10.403 4.000 1.00 0.00 C ATOM 1487 C ASP A 101 1.809 -9.885 3.427 1.00 0.00 C ATOM 1488 O ASP A 101 2.547 -9.164 4.100 1.00 0.00 O ATOM 1489 CB ASP A 101 0.674 -11.768 4.660 1.00 0.00 C ATOM 1490 CG ASP A 101 1.726 -11.746 5.748 1.00 0.00 C ATOM 1491 OD1 ASP A 101 1.435 -11.250 6.857 1.00 0.00 O ATOM 1492 OD2 ASP A 101 2.850 -12.224 5.498 1.00 0.00 O ATOM 0 H ASP A 101 -0.791 -11.439 2.704 1.00 0.00 H new ATOM 0 HA ASP A 101 0.147 -9.700 4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.275 -12.096 5.083 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.955 -12.499 3.902 1.00 0.00 H new ATOM 1497 N GLU A 102 2.086 -10.241 2.169 1.00 0.00 N ATOM 1498 CA GLU A 102 3.243 -9.700 1.449 1.00 0.00 C ATOM 1499 C GLU A 102 3.110 -8.179 1.329 1.00 0.00 C ATOM 1500 O GLU A 102 4.064 -7.434 1.547 1.00 0.00 O ATOM 1501 CB GLU A 102 3.355 -10.307 0.036 1.00 0.00 C ATOM 1502 CG GLU A 102 3.515 -11.824 -0.013 1.00 0.00 C ATOM 1503 CD GLU A 102 4.833 -12.304 0.560 1.00 0.00 C ATOM 1504 OE1 GLU A 102 4.905 -12.541 1.784 1.00 0.00 O ATOM 1505 OE2 GLU A 102 5.795 -12.466 -0.215 1.00 0.00 O ATOM 0 H GLU A 102 1.526 -10.900 1.629 1.00 0.00 H new ATOM 0 HA GLU A 102 4.140 -9.957 2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.464 -10.034 -0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.206 -9.852 -0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.696 -12.287 0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.433 -12.158 -1.047 1.00 0.00 H new ATOM 1512 N PHE A 103 1.903 -7.734 0.987 1.00 0.00 N ATOM 1513 CA PHE A 103 1.608 -6.316 0.818 1.00 0.00 C ATOM 1514 C PHE A 103 1.753 -5.584 2.143 1.00 0.00 C ATOM 1515 O PHE A 103 2.352 -4.513 2.205 1.00 0.00 O ATOM 1516 CB PHE A 103 0.186 -6.133 0.274 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.070 -4.779 -0.331 1.00 0.00 C ATOM 1518 CD1 PHE A 103 0.420 -4.466 -1.587 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -0.802 -3.823 0.350 1.00 0.00 C ATOM 1520 CE1 PHE A 103 0.187 -3.228 -2.153 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -1.037 -2.581 -0.211 1.00 0.00 C ATOM 1522 CZ PHE A 103 -0.541 -2.284 -1.463 1.00 0.00 C ATOM 0 H PHE A 103 1.104 -8.346 0.820 1.00 0.00 H new ATOM 0 HA PHE A 103 2.318 -5.897 0.105 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.005 -6.898 -0.479 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.525 -6.298 1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.993 -5.201 -2.133 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.194 -4.049 1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.575 -3.000 -3.135 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.609 -1.843 0.332 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.723 -1.314 -1.901 1.00 0.00 H new ATOM 1532 N GLY A 104 1.216 -6.182 3.201 1.00 0.00 N ATOM 1533 CA GLY A 104 1.325 -5.599 4.525 1.00 0.00 C ATOM 1534 C GLY A 104 2.767 -5.380 4.937 1.00 0.00 C ATOM 1535 O GLY A 104 3.081 -4.433 5.661 1.00 0.00 O ATOM 0 H GLY A 104 0.705 -7.064 3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.794 -4.647 4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.837 -6.252 5.249 1.00 0.00 H new ATOM 1539 N ALA A 105 3.645 -6.254 4.460 1.00 0.00 N ATOM 1540 CA ALA A 105 5.069 -6.140 4.734 1.00 0.00 C ATOM 1541 C ALA A 105 5.664 -4.923 4.035 1.00 0.00 C ATOM 1542 O ALA A 105 6.455 -4.194 4.625 1.00 0.00 O ATOM 1543 CB ALA A 105 5.797 -7.406 4.308 1.00 0.00 C ATOM 0 H ALA A 105 3.392 -7.053 3.879 1.00 0.00 H new ATOM 0 HA ALA A 105 5.197 -6.010 5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.861 -7.303 4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.398 -8.258 4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.654 -7.566 3.239 1.00 0.00 H new ATOM 1549 N MET A 106 5.258 -4.686 2.787 1.00 0.00 N ATOM 1550 CA MET A 106 5.797 -3.561 2.020 1.00 0.00 C ATOM 1551 C MET A 106 5.264 -2.238 2.562 1.00 0.00 C ATOM 1552 O MET A 106 5.831 -1.177 2.309 1.00 0.00 O ATOM 1553 CB MET A 106 5.457 -3.677 0.523 1.00 0.00 C ATOM 1554 CG MET A 106 4.139 -3.018 0.131 1.00 0.00 C ATOM 1555 SD MET A 106 3.981 -2.715 -1.643 1.00 0.00 S ATOM 1556 CE MET A 106 3.735 -4.372 -2.279 1.00 0.00 C ATOM 0 H MET A 106 4.567 -5.249 2.291 1.00 0.00 H new ATOM 0 HA MET A 106 6.881 -3.588 2.128 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.263 -3.227 -0.057 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.419 -4.732 0.251 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.314 -3.652 0.458 1.00 0.00 H new ATOM 0 HG3 MET A 106 4.044 -2.071 0.663 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.900 -4.373 -2.979 1.00 0.00 H new ATOM 0 HE2 MET A 106 4.638 -4.703 -2.791 1.00 0.00 H new ATOM 0 HE3 MET A 106 3.517 -5.050 -1.454 1.00 0.00 H new ATOM 1566 N ILE A 107 4.166 -2.314 3.300 1.00 0.00 N ATOM 1567 CA ILE A 107 3.556 -1.136 3.893 1.00 0.00 C ATOM 1568 C ILE A 107 4.267 -0.781 5.188 1.00 0.00 C ATOM 1569 O ILE A 107 4.411 0.387 5.548 1.00 0.00 O ATOM 1570 CB ILE A 107 2.058 -1.372 4.184 1.00 0.00 C ATOM 1571 CG1 ILE A 107 1.300 -1.658 2.890 1.00 0.00 C ATOM 1572 CG2 ILE A 107 1.455 -0.175 4.894 1.00 0.00 C ATOM 1573 CD1 ILE A 107 -0.154 -2.004 3.114 1.00 0.00 C ATOM 0 H ILE A 107 3.678 -3.186 3.503 1.00 0.00 H new ATOM 0 HA ILE A 107 3.649 -0.315 3.182 1.00 0.00 H new ATOM 0 HB ILE A 107 1.971 -2.240 4.837 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.363 -0.786 2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.786 -2.481 2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.399 -0.362 5.090 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.976 -0.011 5.838 1.00 0.00 H new ATOM 0 HG23 ILE A 107 1.556 0.710 4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.634 -2.196 2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.224 -2.894 3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.654 -1.172 3.610 1.00 0.00 H new ATOM 1585 N LYS A 108 4.725 -1.807 5.876 1.00 0.00 N ATOM 1586 CA LYS A 108 5.366 -1.635 7.160 1.00 0.00 C ATOM 1587 C LYS A 108 6.876 -1.450 6.989 1.00 0.00 C ATOM 1588 O LYS A 108 7.545 -0.879 7.855 1.00 0.00 O ATOM 1589 CB LYS A 108 5.019 -2.839 8.045 1.00 0.00 C ATOM 1590 CG LYS A 108 5.640 -2.819 9.435 1.00 0.00 C ATOM 1591 CD LYS A 108 6.991 -3.522 9.468 1.00 0.00 C ATOM 1592 CE LYS A 108 6.852 -5.024 9.265 1.00 0.00 C ATOM 1593 NZ LYS A 108 5.980 -5.652 10.293 1.00 0.00 N ATOM 0 H LYS A 108 4.663 -2.776 5.562 1.00 0.00 H new ATOM 0 HA LYS A 108 5.001 -0.732 7.648 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.935 -2.894 8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 108 5.337 -3.749 7.535 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.761 -1.787 9.763 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.964 -3.301 10.141 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.635 -3.108 8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 108 7.478 -3.328 10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 108 6.441 -5.218 8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 108 7.839 -5.486 9.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.125 -6.682 10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 6.220 -5.272 11.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.984 -5.442 10.079 1.00 0.00 H new ATOM 1607 N ALA A 109 7.405 -1.902 5.860 1.00 0.00 N ATOM 1608 CA ALA A 109 8.825 -1.772 5.585 1.00 0.00 C ATOM 1609 C ALA A 109 9.054 -1.082 4.244 1.00 0.00 C ATOM 1610 O ALA A 109 9.333 -1.782 3.249 1.00 0.00 O ATOM 1611 CB ALA A 109 9.497 -3.138 5.615 1.00 0.00 C ATOM 1612 OXT ALA A 109 8.954 0.162 4.190 1.00 0.00 O ATOM 0 H ALA A 109 6.871 -2.361 5.122 1.00 0.00 H new ATOM 0 HA ALA A 109 9.273 -1.152 6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.561 -3.025 5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.365 -3.587 6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.046 -3.782 4.860 1.00 0.00 H new