USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 379 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 8 THR OG1 : rot 65:sc= 0.122 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0464 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.77! C(o=-1.8!,f=-4.4!) USER MOD Single : A 18 ASN : amide:sc= 0.202 K(o=0.2,f=-2.4!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : B 1 PHE N :NH3+ -108:sc= 0.0934 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -2.42! C(o=-2.4!,f=-4.6!) USER MOD Single : B 4 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.079) USER MOD Single : B 5 HIS : no HD1:sc= -3.5 K(o=-3.5,f=-4.2) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0646 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 HIS :FLIP no HD1:sc= -1.15 F(o=-4.5,f=-1.1) USER MOD Single : B 26 TYR OH : rot -142:sc= -4.28! USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.497 5.738 9.402 1.00 0.00 N ATOM 2 CA GLY A 1 -2.460 5.753 7.912 1.00 0.00 C ATOM 3 C GLY A 1 -1.228 4.994 7.422 1.00 0.00 C ATOM 4 O GLY A 1 -0.119 5.232 7.859 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.336 6.255 9.734 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.541 4.755 9.738 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.640 6.194 9.775 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.365 5.296 7.511 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.435 6.781 7.549 1.00 0.00 H new ATOM 10 N ILE A 2 -1.420 4.084 6.513 1.00 0.00 N ATOM 11 CA ILE A 2 -0.280 3.296 5.974 1.00 0.00 C ATOM 12 C ILE A 2 0.628 4.213 5.144 1.00 0.00 C ATOM 13 O ILE A 2 1.827 4.038 5.096 1.00 0.00 O ATOM 14 CB ILE A 2 -0.856 2.162 5.117 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.044 0.930 5.184 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.004 2.605 3.656 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.831 -0.325 5.090 1.00 0.00 C ATOM 0 H ILE A 2 -2.329 3.849 6.115 1.00 0.00 H new ATOM 0 HA ILE A 2 0.321 2.872 6.779 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.840 1.911 5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.769 0.947 4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.611 0.926 6.115 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.414 1.785 3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.675 3.462 3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.028 2.884 3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.200 -1.213 5.137 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.538 -0.338 5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.378 -0.318 4.147 1.00 0.00 H new ATOM 29 N VAL A 3 0.056 5.192 4.492 1.00 0.00 N ATOM 30 CA VAL A 3 0.878 6.123 3.667 1.00 0.00 C ATOM 31 C VAL A 3 2.012 6.695 4.523 1.00 0.00 C ATOM 32 O VAL A 3 3.102 6.934 4.045 1.00 0.00 O ATOM 33 CB VAL A 3 -0.003 7.266 3.163 1.00 0.00 C ATOM 34 CG1 VAL A 3 0.860 8.285 2.418 1.00 0.00 C ATOM 35 CG2 VAL A 3 -1.067 6.708 2.215 1.00 0.00 C ATOM 0 H VAL A 3 -0.945 5.386 4.496 1.00 0.00 H new ATOM 0 HA VAL A 3 1.298 5.584 2.818 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.488 7.752 4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 3 0.232 9.100 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.619 8.682 3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.346 7.800 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.696 7.522 1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.581 6.223 1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.682 5.982 2.746 1.00 0.00 H new ATOM 45 N GLU A 4 1.758 6.919 5.783 1.00 0.00 N ATOM 46 CA GLU A 4 2.819 7.477 6.673 1.00 0.00 C ATOM 47 C GLU A 4 3.701 6.339 7.194 1.00 0.00 C ATOM 48 O GLU A 4 4.031 6.281 8.362 1.00 0.00 O ATOM 49 CB GLU A 4 2.167 8.201 7.851 1.00 0.00 C ATOM 50 CG GLU A 4 1.193 9.257 7.323 1.00 0.00 C ATOM 51 CD GLU A 4 1.977 10.478 6.839 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.925 10.291 6.094 1.00 0.00 O ATOM 53 OE2 GLU A 4 1.616 11.579 7.219 1.00 0.00 O ATOM 0 H GLU A 4 0.862 6.740 6.236 1.00 0.00 H new ATOM 0 HA GLU A 4 3.433 8.180 6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.639 7.487 8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.930 8.672 8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.601 8.845 6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.495 9.548 8.108 1.00 0.00 H new ATOM 60 N GLN A 5 4.089 5.437 6.335 1.00 0.00 N ATOM 61 CA GLN A 5 4.951 4.303 6.772 1.00 0.00 C ATOM 62 C GLN A 5 5.534 3.619 5.535 1.00 0.00 C ATOM 63 O GLN A 5 6.678 3.212 5.516 1.00 0.00 O ATOM 64 CB GLN A 5 4.115 3.297 7.568 1.00 0.00 C ATOM 65 CG GLN A 5 5.028 2.201 8.121 1.00 0.00 C ATOM 66 CD GLN A 5 4.826 2.079 9.632 1.00 0.00 C ATOM 67 OE1 GLN A 5 5.146 2.986 10.375 1.00 0.00 O ATOM 68 NE2 GLN A 5 4.302 0.990 10.122 1.00 0.00 N ATOM 0 H GLN A 5 3.845 5.437 5.345 1.00 0.00 H new ATOM 0 HA GLN A 5 5.757 4.675 7.404 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.599 3.802 8.385 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.348 2.859 6.929 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.806 1.250 7.636 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.069 2.436 7.901 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.033 0.228 9.499 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.161 0.900 11.128 1.00 0.00 H new ATOM 77 N CYS A 6 4.752 3.497 4.498 1.00 0.00 N ATOM 78 CA CYS A 6 5.253 2.851 3.254 1.00 0.00 C ATOM 79 C CYS A 6 5.886 3.911 2.354 1.00 0.00 C ATOM 80 O CYS A 6 6.981 3.746 1.857 1.00 0.00 O ATOM 81 CB CYS A 6 4.084 2.191 2.522 1.00 0.00 C ATOM 82 SG CYS A 6 3.220 1.068 3.647 1.00 0.00 S ATOM 0 H CYS A 6 3.785 3.818 4.459 1.00 0.00 H new ATOM 0 HA CYS A 6 5.998 2.096 3.506 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.397 2.952 2.153 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.449 1.643 1.653 1.00 0.00 H new ATOM 87 N CYS A 7 5.205 5.006 2.145 1.00 0.00 N ATOM 88 CA CYS A 7 5.766 6.080 1.280 1.00 0.00 C ATOM 89 C CYS A 7 7.026 6.652 1.934 1.00 0.00 C ATOM 90 O CYS A 7 7.998 6.957 1.272 1.00 0.00 O ATOM 91 CB CYS A 7 4.727 7.192 1.114 1.00 0.00 C ATOM 92 SG CYS A 7 5.491 8.624 0.314 1.00 0.00 S ATOM 0 H CYS A 7 4.284 5.202 2.537 1.00 0.00 H new ATOM 0 HA CYS A 7 6.018 5.669 0.303 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.889 6.834 0.517 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.326 7.477 2.087 1.00 0.00 H new ATOM 97 N THR A 8 7.014 6.798 3.231 1.00 0.00 N ATOM 98 CA THR A 8 8.211 7.350 3.927 1.00 0.00 C ATOM 99 C THR A 8 9.255 6.244 4.098 1.00 0.00 C ATOM 100 O THR A 8 10.412 6.412 3.763 1.00 0.00 O ATOM 101 CB THR A 8 7.804 7.886 5.301 1.00 0.00 C ATOM 102 OG1 THR A 8 6.515 7.388 5.641 1.00 0.00 O ATOM 103 CG2 THR A 8 7.770 9.414 5.268 1.00 0.00 C ATOM 0 H THR A 8 6.229 6.560 3.837 1.00 0.00 H new ATOM 0 HA THR A 8 8.634 8.161 3.334 1.00 0.00 H new ATOM 0 HB THR A 8 8.529 7.558 6.046 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.557 6.414 5.743 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.480 9.793 6.248 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.758 9.794 5.010 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.048 9.746 4.522 1.00 0.00 H new ATOM 111 N SER A 9 8.858 5.115 4.615 1.00 0.00 N ATOM 112 CA SER A 9 9.828 3.999 4.804 1.00 0.00 C ATOM 113 C SER A 9 9.304 2.745 4.104 1.00 0.00 C ATOM 114 O SER A 9 8.230 2.742 3.536 1.00 0.00 O ATOM 115 CB SER A 9 9.995 3.716 6.297 1.00 0.00 C ATOM 116 OG SER A 9 11.379 3.582 6.596 1.00 0.00 O ATOM 0 H SER A 9 7.904 4.916 4.915 1.00 0.00 H new ATOM 0 HA SER A 9 10.791 4.279 4.377 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.561 4.526 6.884 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.462 2.805 6.568 1.00 0.00 H new ATOM 0 HG SER A 9 11.491 3.402 7.553 1.00 0.00 H new ATOM 122 N ILE A 10 10.052 1.676 4.136 1.00 0.00 N ATOM 123 CA ILE A 10 9.592 0.428 3.467 1.00 0.00 C ATOM 124 C ILE A 10 8.764 -0.406 4.448 1.00 0.00 C ATOM 125 O ILE A 10 9.276 -1.263 5.140 1.00 0.00 O ATOM 126 CB ILE A 10 10.806 -0.376 3.000 1.00 0.00 C ATOM 127 CG1 ILE A 10 11.753 0.568 2.229 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.330 -1.532 2.108 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.353 -0.129 0.997 1.00 0.00 C ATOM 0 H ILE A 10 10.960 1.614 4.596 1.00 0.00 H new ATOM 0 HA ILE A 10 8.975 0.683 2.605 1.00 0.00 H new ATOM 0 HB ILE A 10 11.343 -0.798 3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.207 1.458 1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.555 0.901 2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.191 -2.110 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.659 -2.177 2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.802 -1.131 1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.015 0.561 0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.919 -1.005 1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.551 -0.438 0.327 1.00 0.00 H new ATOM 141 N CYS A 11 7.485 -0.157 4.510 1.00 0.00 N ATOM 142 CA CYS A 11 6.616 -0.929 5.443 1.00 0.00 C ATOM 143 C CYS A 11 6.536 -2.385 4.979 1.00 0.00 C ATOM 144 O CYS A 11 7.161 -2.775 4.012 1.00 0.00 O ATOM 145 CB CYS A 11 5.213 -0.320 5.452 1.00 0.00 C ATOM 146 SG CYS A 11 4.462 -0.517 3.817 1.00 0.00 S ATOM 0 H CYS A 11 7.003 0.549 3.954 1.00 0.00 H new ATOM 0 HA CYS A 11 7.037 -0.891 6.448 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.598 -0.808 6.208 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.265 0.736 5.716 1.00 0.00 H new ATOM 151 N SER A 12 5.772 -3.192 5.663 1.00 0.00 N ATOM 152 CA SER A 12 5.651 -4.624 5.263 1.00 0.00 C ATOM 153 C SER A 12 4.366 -4.822 4.457 1.00 0.00 C ATOM 154 O SER A 12 3.528 -3.948 4.382 1.00 0.00 O ATOM 155 CB SER A 12 5.605 -5.499 6.516 1.00 0.00 C ATOM 156 OG SER A 12 5.005 -4.771 7.577 1.00 0.00 O ATOM 0 H SER A 12 5.226 -2.922 6.481 1.00 0.00 H new ATOM 0 HA SER A 12 6.509 -4.905 4.653 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.038 -6.408 6.318 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.613 -5.807 6.795 1.00 0.00 H new ATOM 0 HG SER A 12 4.973 -5.331 8.381 1.00 0.00 H new ATOM 162 N LEU A 13 4.209 -5.966 3.850 1.00 0.00 N ATOM 163 CA LEU A 13 2.981 -6.220 3.046 1.00 0.00 C ATOM 164 C LEU A 13 1.801 -6.498 3.981 1.00 0.00 C ATOM 165 O LEU A 13 0.662 -6.235 3.651 1.00 0.00 O ATOM 166 CB LEU A 13 3.205 -7.431 2.139 1.00 0.00 C ATOM 167 CG LEU A 13 2.036 -7.554 1.162 1.00 0.00 C ATOM 168 CD1 LEU A 13 1.862 -6.237 0.406 1.00 0.00 C ATOM 169 CD2 LEU A 13 2.324 -8.680 0.165 1.00 0.00 C ATOM 0 H LEU A 13 4.878 -6.736 3.876 1.00 0.00 H new ATOM 0 HA LEU A 13 2.762 -5.343 2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.141 -7.322 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.290 -8.338 2.738 1.00 0.00 H new ATOM 0 HG LEU A 13 1.123 -7.779 1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.028 -6.325 -0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.659 -5.434 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.774 -6.011 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.492 -8.770 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.237 -8.453 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.449 -9.620 0.703 1.00 0.00 H new ATOM 181 N TYR A 14 2.062 -7.028 5.144 1.00 0.00 N ATOM 182 CA TYR A 14 0.950 -7.321 6.092 1.00 0.00 C ATOM 183 C TYR A 14 0.171 -6.033 6.372 1.00 0.00 C ATOM 184 O TYR A 14 -1.015 -6.057 6.631 1.00 0.00 O ATOM 185 CB TYR A 14 1.523 -7.869 7.401 1.00 0.00 C ATOM 186 CG TYR A 14 0.449 -7.858 8.465 1.00 0.00 C ATOM 187 CD1 TYR A 14 -0.878 -8.148 8.126 1.00 0.00 C ATOM 188 CD2 TYR A 14 0.782 -7.552 9.791 1.00 0.00 C ATOM 189 CE1 TYR A 14 -1.872 -8.131 9.111 1.00 0.00 C ATOM 190 CE2 TYR A 14 -0.213 -7.535 10.775 1.00 0.00 C ATOM 191 CZ TYR A 14 -1.538 -7.825 10.436 1.00 0.00 C ATOM 192 OH TYR A 14 -2.519 -7.809 11.407 1.00 0.00 O ATOM 0 H TYR A 14 2.995 -7.270 5.478 1.00 0.00 H new ATOM 0 HA TYR A 14 0.283 -8.063 5.653 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.892 -8.884 7.252 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.372 -7.265 7.720 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.135 -8.385 7.104 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.806 -7.329 10.054 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.896 -8.354 8.849 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.043 -7.298 11.797 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.119 -7.580 12.272 1.00 0.00 H new ATOM 202 N GLN A 15 0.831 -4.909 6.327 1.00 0.00 N ATOM 203 CA GLN A 15 0.126 -3.625 6.595 1.00 0.00 C ATOM 204 C GLN A 15 -0.900 -3.363 5.490 1.00 0.00 C ATOM 205 O GLN A 15 -2.055 -3.096 5.757 1.00 0.00 O ATOM 206 CB GLN A 15 1.144 -2.481 6.633 1.00 0.00 C ATOM 207 CG GLN A 15 2.089 -2.675 7.819 1.00 0.00 C ATOM 208 CD GLN A 15 1.305 -2.569 9.129 1.00 0.00 C ATOM 209 OE1 GLN A 15 0.487 -3.415 9.433 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.523 -1.559 9.927 1.00 0.00 N ATOM 0 H GLN A 15 1.826 -4.824 6.117 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.386 -3.686 7.555 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.712 -2.455 5.703 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.628 -1.524 6.718 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.575 -3.648 7.753 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.877 -1.923 7.794 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.209 -0.848 9.674 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.007 -1.481 10.804 1.00 0.00 H new ATOM 219 N LEU A 16 -0.493 -3.435 4.251 1.00 0.00 N ATOM 220 CA LEU A 16 -1.451 -3.190 3.136 1.00 0.00 C ATOM 221 C LEU A 16 -2.617 -4.172 3.239 1.00 0.00 C ATOM 222 O LEU A 16 -3.646 -3.991 2.617 1.00 0.00 O ATOM 223 CB LEU A 16 -0.745 -3.377 1.786 1.00 0.00 C ATOM 224 CG LEU A 16 0.545 -2.538 1.699 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.623 -1.905 0.314 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.562 -1.419 2.751 1.00 0.00 C ATOM 0 H LEU A 16 0.461 -3.653 3.964 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.825 -2.168 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.505 -4.431 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.420 -3.092 0.979 1.00 0.00 H new ATOM 0 HG LEU A 16 1.395 -3.195 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.532 -1.308 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.639 -2.688 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.246 -1.266 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.486 -0.848 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.290 -0.758 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.502 -1.856 3.748 1.00 0.00 H new ATOM 238 N GLU A 17 -2.475 -5.208 4.018 1.00 0.00 N ATOM 239 CA GLU A 17 -3.589 -6.185 4.154 1.00 0.00 C ATOM 240 C GLU A 17 -4.797 -5.470 4.762 1.00 0.00 C ATOM 241 O GLU A 17 -5.925 -5.689 4.367 1.00 0.00 O ATOM 242 CB GLU A 17 -3.154 -7.337 5.064 1.00 0.00 C ATOM 243 CG GLU A 17 -2.004 -8.100 4.404 1.00 0.00 C ATOM 244 CD GLU A 17 -1.850 -9.470 5.068 1.00 0.00 C ATOM 245 OE1 GLU A 17 -2.846 -9.991 5.543 1.00 0.00 O ATOM 246 OE2 GLU A 17 -0.741 -9.976 5.089 1.00 0.00 O ATOM 0 H GLU A 17 -1.640 -5.419 4.564 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.853 -6.588 3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.839 -6.950 6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.993 -8.008 5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.198 -8.221 3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.077 -7.533 4.497 1.00 0.00 H new ATOM 253 N ASN A 18 -4.566 -4.600 5.711 1.00 0.00 N ATOM 254 CA ASN A 18 -5.697 -3.856 6.330 1.00 0.00 C ATOM 255 C ASN A 18 -6.489 -3.159 5.223 1.00 0.00 C ATOM 256 O ASN A 18 -7.658 -2.866 5.366 1.00 0.00 O ATOM 257 CB ASN A 18 -5.151 -2.806 7.303 1.00 0.00 C ATOM 258 CG ASN A 18 -4.277 -3.492 8.355 1.00 0.00 C ATOM 259 OD1 ASN A 18 -3.229 -4.022 8.040 1.00 0.00 O ATOM 260 ND2 ASN A 18 -4.666 -3.507 9.600 1.00 0.00 N ATOM 0 H ASN A 18 -3.643 -4.375 6.082 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.341 -4.547 6.874 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.569 -2.060 6.761 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.974 -2.279 7.786 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.091 -3.963 10.308 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.545 -3.063 9.865 1.00 0.00 H new ATOM 267 N TYR A 19 -5.844 -2.889 4.122 1.00 0.00 N ATOM 268 CA TYR A 19 -6.528 -2.208 2.991 1.00 0.00 C ATOM 269 C TYR A 19 -7.316 -3.226 2.159 1.00 0.00 C ATOM 270 O TYR A 19 -7.285 -3.200 0.948 1.00 0.00 O ATOM 271 CB TYR A 19 -5.474 -1.544 2.107 1.00 0.00 C ATOM 272 CG TYR A 19 -5.265 -0.136 2.573 1.00 0.00 C ATOM 273 CD1 TYR A 19 -6.156 0.864 2.182 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.184 0.167 3.402 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.968 2.179 2.622 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.997 1.479 3.841 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.887 2.486 3.454 1.00 0.00 C ATOM 278 OH TYR A 19 -4.697 3.782 3.890 1.00 0.00 O ATOM 0 H TYR A 19 -4.863 -3.114 3.958 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.219 -1.461 3.383 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.538 -2.100 2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.796 -1.552 1.066 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.990 0.623 1.540 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.496 -0.609 3.702 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.656 2.955 2.320 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.161 1.717 4.482 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.901 3.822 4.460 1.00 0.00 H new ATOM 288 N CYS A 20 -8.026 -4.116 2.793 1.00 0.00 N ATOM 289 CA CYS A 20 -8.812 -5.118 2.022 1.00 0.00 C ATOM 290 C CYS A 20 -10.286 -5.013 2.416 1.00 0.00 C ATOM 291 O CYS A 20 -10.615 -4.694 3.542 1.00 0.00 O ATOM 292 CB CYS A 20 -8.300 -6.527 2.336 1.00 0.00 C ATOM 293 SG CYS A 20 -6.582 -6.686 1.789 1.00 0.00 S ATOM 0 H CYS A 20 -8.096 -4.193 3.808 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.702 -4.924 0.955 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.371 -6.720 3.406 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.921 -7.270 1.836 1.00 0.00 H new ATOM 298 N ASN A 21 -11.175 -5.278 1.501 1.00 0.00 N ATOM 299 CA ASN A 21 -12.625 -5.192 1.828 1.00 0.00 C ATOM 300 C ASN A 21 -13.243 -6.590 1.788 1.00 0.00 C ATOM 301 O ASN A 21 -14.279 -6.742 1.163 1.00 0.00 O ATOM 302 CB ASN A 21 -13.323 -4.293 0.805 1.00 0.00 C ATOM 303 CG ASN A 21 -14.462 -3.533 1.487 1.00 0.00 C ATOM 304 OD1 ASN A 21 -15.110 -4.053 2.372 1.00 0.00 O ATOM 305 ND2 ASN A 21 -14.731 -2.313 1.110 1.00 0.00 N ATOM 306 OXT ASN A 21 -12.669 -7.486 2.383 1.00 0.00 O ATOM 0 H ASN A 21 -10.961 -5.550 0.542 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.749 -4.772 2.826 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.609 -3.590 0.375 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.713 -4.894 -0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.486 -1.795 1.559 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.186 -1.877 0.366 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 9.012 -9.685 -2.932 1.00 0.00 N ATOM 315 CA PHE B 1 8.456 -8.368 -3.347 1.00 0.00 C ATOM 316 C PHE B 1 9.600 -7.369 -3.536 1.00 0.00 C ATOM 317 O PHE B 1 10.679 -7.542 -3.006 1.00 0.00 O ATOM 318 CB PHE B 1 7.498 -7.857 -2.265 1.00 0.00 C ATOM 319 CG PHE B 1 6.603 -6.787 -2.843 1.00 0.00 C ATOM 320 CD1 PHE B 1 6.014 -6.969 -4.100 1.00 0.00 C ATOM 321 CD2 PHE B 1 6.362 -5.611 -2.121 1.00 0.00 C ATOM 322 CE1 PHE B 1 5.184 -5.976 -4.636 1.00 0.00 C ATOM 323 CE2 PHE B 1 5.533 -4.619 -2.657 1.00 0.00 C ATOM 324 CZ PHE B 1 4.944 -4.801 -3.914 1.00 0.00 C ATOM 0 H1 PHE B 1 8.934 -10.359 -3.720 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.012 -9.573 -2.671 1.00 0.00 H new ATOM 0 H3 PHE B 1 8.479 -10.045 -2.115 1.00 0.00 H new ATOM 0 HA PHE B 1 7.915 -8.479 -4.287 1.00 0.00 H new ATOM 0 HB2 PHE B 1 6.896 -8.680 -1.881 1.00 0.00 H new ATOM 0 HB3 PHE B 1 8.064 -7.456 -1.424 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.200 -7.876 -4.657 1.00 0.00 H new ATOM 0 HD2 PHE B 1 6.816 -5.470 -1.151 1.00 0.00 H new ATOM 0 HE1 PHE B 1 4.730 -6.117 -5.606 1.00 0.00 H new ATOM 0 HE2 PHE B 1 5.347 -3.712 -2.100 1.00 0.00 H new ATOM 0 HZ PHE B 1 4.304 -4.035 -4.327 1.00 0.00 H new ATOM 336 N VAL B 2 9.375 -6.328 -4.291 1.00 0.00 N ATOM 337 CA VAL B 2 10.454 -5.323 -4.516 1.00 0.00 C ATOM 338 C VAL B 2 10.545 -4.389 -3.307 1.00 0.00 C ATOM 339 O VAL B 2 9.556 -3.845 -2.856 1.00 0.00 O ATOM 340 CB VAL B 2 10.136 -4.505 -5.769 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.212 -3.436 -5.970 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.106 -5.430 -6.988 1.00 0.00 C ATOM 0 H VAL B 2 8.492 -6.130 -4.761 1.00 0.00 H new ATOM 0 HA VAL B 2 11.406 -5.837 -4.649 1.00 0.00 H new ATOM 0 HB VAL B 2 9.165 -4.025 -5.650 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.984 -2.854 -6.863 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.236 -2.776 -5.103 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.184 -3.915 -6.088 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.879 -4.848 -7.881 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.078 -5.910 -7.105 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.339 -6.192 -6.848 1.00 0.00 H new ATOM 352 N ASN B 3 11.723 -4.202 -2.780 1.00 0.00 N ATOM 353 CA ASN B 3 11.877 -3.305 -1.601 1.00 0.00 C ATOM 354 C ASN B 3 11.887 -1.848 -2.064 1.00 0.00 C ATOM 355 O ASN B 3 12.929 -1.275 -2.318 1.00 0.00 O ATOM 356 CB ASN B 3 13.192 -3.625 -0.885 1.00 0.00 C ATOM 357 CG ASN B 3 14.332 -3.687 -1.905 1.00 0.00 C ATOM 358 OD1 ASN B 3 14.255 -3.087 -2.960 1.00 0.00 O ATOM 359 ND2 ASN B 3 15.395 -4.393 -1.632 1.00 0.00 N ATOM 0 H ASN B 3 12.586 -4.631 -3.115 1.00 0.00 H new ATOM 0 HA ASN B 3 11.044 -3.460 -0.916 1.00 0.00 H new ATOM 0 HB2 ASN B 3 13.403 -2.863 -0.134 1.00 0.00 H new ATOM 0 HB3 ASN B 3 13.109 -4.576 -0.359 1.00 0.00 H new ATOM 0 HD21 ASN B 3 16.161 -4.442 -2.303 1.00 0.00 H new ATOM 0 HD22 ASN B 3 15.460 -4.896 -0.747 1.00 0.00 H new ATOM 366 N GLN B 4 10.737 -1.244 -2.178 1.00 0.00 N ATOM 367 CA GLN B 4 10.682 0.175 -2.625 1.00 0.00 C ATOM 368 C GLN B 4 9.591 0.911 -1.841 1.00 0.00 C ATOM 369 O GLN B 4 8.647 0.316 -1.363 1.00 0.00 O ATOM 370 CB GLN B 4 10.362 0.228 -4.120 1.00 0.00 C ATOM 371 CG GLN B 4 10.592 1.646 -4.641 1.00 0.00 C ATOM 372 CD GLN B 4 12.088 1.871 -4.876 1.00 0.00 C ATOM 373 OE1 GLN B 4 12.662 2.805 -4.353 1.00 0.00 O ATOM 374 NE2 GLN B 4 12.747 1.048 -5.646 1.00 0.00 N ATOM 0 H GLN B 4 9.833 -1.672 -1.981 1.00 0.00 H new ATOM 0 HA GLN B 4 11.645 0.652 -2.445 1.00 0.00 H new ATOM 0 HB2 GLN B 4 10.992 -0.477 -4.663 1.00 0.00 H new ATOM 0 HB3 GLN B 4 9.328 -0.071 -4.292 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.041 1.797 -5.569 1.00 0.00 H new ATOM 0 HG3 GLN B 4 10.213 2.374 -3.924 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.265 0.264 -6.085 1.00 0.00 H new ATOM 0 HE22 GLN B 4 13.744 1.189 -5.808 1.00 0.00 H new ATOM 383 N HIS B 5 9.718 2.203 -1.703 1.00 0.00 N ATOM 384 CA HIS B 5 8.693 2.976 -0.948 1.00 0.00 C ATOM 385 C HIS B 5 7.374 2.979 -1.725 1.00 0.00 C ATOM 386 O HIS B 5 7.334 2.686 -2.904 1.00 0.00 O ATOM 387 CB HIS B 5 9.181 4.413 -0.760 1.00 0.00 C ATOM 388 CG HIS B 5 10.347 4.421 0.190 1.00 0.00 C ATOM 389 ND1 HIS B 5 10.340 3.700 1.372 1.00 0.00 N ATOM 390 CD2 HIS B 5 11.562 5.055 0.143 1.00 0.00 C ATOM 391 CE1 HIS B 5 11.519 3.915 1.985 1.00 0.00 C ATOM 392 NE2 HIS B 5 12.301 4.734 1.277 1.00 0.00 N ATOM 0 H HIS B 5 10.487 2.756 -2.081 1.00 0.00 H new ATOM 0 HA HIS B 5 8.534 2.514 0.026 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.476 4.838 -1.720 1.00 0.00 H new ATOM 0 HB3 HIS B 5 8.375 5.035 -0.370 1.00 0.00 H new ATOM 0 HD2 HIS B 5 11.895 5.705 -0.653 1.00 0.00 H new ATOM 0 HE1 HIS B 5 11.798 3.479 2.933 1.00 0.00 H new ATOM 0 HE2 HIS B 5 13.239 5.055 1.516 1.00 0.00 H new ATOM 400 N LEU B 6 6.292 3.306 -1.071 1.00 0.00 N ATOM 401 CA LEU B 6 4.974 3.326 -1.769 1.00 0.00 C ATOM 402 C LEU B 6 4.400 4.741 -1.730 1.00 0.00 C ATOM 403 O LEU B 6 3.498 5.036 -0.971 1.00 0.00 O ATOM 404 CB LEU B 6 4.013 2.366 -1.067 1.00 0.00 C ATOM 405 CG LEU B 6 4.585 0.948 -1.111 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.713 0.018 -0.264 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.600 0.455 -2.559 1.00 0.00 C ATOM 0 H LEU B 6 6.264 3.560 -0.084 1.00 0.00 H new ATOM 0 HA LEU B 6 5.105 3.016 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.862 2.677 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.038 2.391 -1.553 1.00 0.00 H new ATOM 0 HG LEU B 6 5.600 0.951 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.121 -0.992 -0.296 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.699 0.371 0.767 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.697 0.012 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.007 -0.556 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.584 0.451 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.220 1.118 -3.163 1.00 0.00 H new ATOM 419 N CYS B 7 4.912 5.622 -2.545 1.00 0.00 N ATOM 420 CA CYS B 7 4.394 7.017 -2.553 1.00 0.00 C ATOM 421 C CYS B 7 3.476 7.215 -3.764 1.00 0.00 C ATOM 422 O CYS B 7 3.593 6.530 -4.760 1.00 0.00 O ATOM 423 CB CYS B 7 5.566 7.995 -2.639 1.00 0.00 C ATOM 424 SG CYS B 7 6.605 7.825 -1.168 1.00 0.00 S ATOM 0 H CYS B 7 5.667 5.435 -3.205 1.00 0.00 H new ATOM 0 HA CYS B 7 3.832 7.201 -1.637 1.00 0.00 H new ATOM 0 HB2 CYS B 7 6.153 7.798 -3.536 1.00 0.00 H new ATOM 0 HB3 CYS B 7 5.195 9.017 -2.719 1.00 0.00 H new ATOM 429 N GLY B 8 2.568 8.148 -3.684 1.00 0.00 N ATOM 430 CA GLY B 8 1.649 8.392 -4.829 1.00 0.00 C ATOM 431 C GLY B 8 0.726 7.184 -5.012 1.00 0.00 C ATOM 432 O GLY B 8 0.196 6.647 -4.061 1.00 0.00 O ATOM 0 H GLY B 8 2.423 8.752 -2.875 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.058 9.290 -4.649 1.00 0.00 H new ATOM 0 HA3 GLY B 8 2.223 8.565 -5.739 1.00 0.00 H new ATOM 436 N SER B 9 0.534 6.754 -6.230 1.00 0.00 N ATOM 437 CA SER B 9 -0.353 5.584 -6.471 1.00 0.00 C ATOM 438 C SER B 9 0.446 4.288 -6.304 1.00 0.00 C ATOM 439 O SER B 9 -0.081 3.203 -6.443 1.00 0.00 O ATOM 440 CB SER B 9 -0.916 5.654 -7.890 1.00 0.00 C ATOM 441 OG SER B 9 -0.513 6.874 -8.496 1.00 0.00 O ATOM 0 H SER B 9 0.953 7.162 -7.066 1.00 0.00 H new ATOM 0 HA SER B 9 -1.172 5.599 -5.752 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.559 4.808 -8.477 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.004 5.589 -7.865 1.00 0.00 H new ATOM 0 HG SER B 9 -0.871 6.921 -9.407 1.00 0.00 H new ATOM 447 N HIS B 10 1.715 4.391 -6.008 1.00 0.00 N ATOM 448 CA HIS B 10 2.539 3.162 -5.834 1.00 0.00 C ATOM 449 C HIS B 10 1.900 2.271 -4.770 1.00 0.00 C ATOM 450 O HIS B 10 1.694 1.091 -4.974 1.00 0.00 O ATOM 451 CB HIS B 10 3.952 3.547 -5.392 1.00 0.00 C ATOM 452 CG HIS B 10 4.813 3.777 -6.604 1.00 0.00 C ATOM 453 ND1 HIS B 10 4.868 5.003 -7.248 1.00 0.00 N ATOM 454 CD2 HIS B 10 5.662 2.949 -7.299 1.00 0.00 C ATOM 455 CE1 HIS B 10 5.722 4.882 -8.281 1.00 0.00 C ATOM 456 NE2 HIS B 10 6.235 3.650 -8.356 1.00 0.00 N ATOM 0 H HIS B 10 2.214 5.271 -5.880 1.00 0.00 H new ATOM 0 HA HIS B 10 2.591 2.624 -6.781 1.00 0.00 H new ATOM 0 HB2 HIS B 10 3.920 4.448 -4.780 1.00 0.00 H new ATOM 0 HB3 HIS B 10 4.379 2.757 -4.774 1.00 0.00 H new ATOM 0 HD2 HIS B 10 5.855 1.913 -7.061 1.00 0.00 H new ATOM 0 HE1 HIS B 10 5.963 5.682 -8.965 1.00 0.00 H new ATOM 0 HE2 HIS B 10 6.904 3.299 -9.041 1.00 0.00 H new ATOM 464 N LEU B 11 1.583 2.826 -3.632 1.00 0.00 N ATOM 465 CA LEU B 11 0.956 2.010 -2.556 1.00 0.00 C ATOM 466 C LEU B 11 -0.314 1.353 -3.093 1.00 0.00 C ATOM 467 O LEU B 11 -0.645 0.241 -2.737 1.00 0.00 O ATOM 468 CB LEU B 11 0.604 2.908 -1.371 1.00 0.00 C ATOM 469 CG LEU B 11 1.000 2.208 -0.072 1.00 0.00 C ATOM 470 CD1 LEU B 11 1.450 3.252 0.953 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.204 1.434 0.476 1.00 0.00 C ATOM 0 H LEU B 11 1.731 3.809 -3.402 1.00 0.00 H new ATOM 0 HA LEU B 11 1.655 1.240 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU B 11 1.124 3.862 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.464 3.126 -1.369 1.00 0.00 H new ATOM 0 HG LEU B 11 1.819 1.515 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.733 2.753 1.880 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.306 3.801 0.561 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.632 3.946 1.149 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.076 0.934 1.403 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.023 2.126 0.671 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.522 0.691 -0.255 1.00 0.00 H new ATOM 483 N VAL B 12 -1.029 2.029 -3.950 1.00 0.00 N ATOM 484 CA VAL B 12 -2.274 1.431 -4.507 1.00 0.00 C ATOM 485 C VAL B 12 -1.911 0.179 -5.303 1.00 0.00 C ATOM 486 O VAL B 12 -2.623 -0.804 -5.296 1.00 0.00 O ATOM 487 CB VAL B 12 -2.968 2.438 -5.423 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.095 1.740 -6.183 1.00 0.00 C ATOM 489 CG2 VAL B 12 -3.549 3.574 -4.581 1.00 0.00 C ATOM 0 H VAL B 12 -0.806 2.965 -4.287 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.949 1.168 -3.693 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.247 2.843 -6.133 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.591 2.457 -6.837 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.682 0.928 -6.782 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.817 1.336 -5.473 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.045 4.293 -5.233 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.271 3.169 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.746 4.071 -4.037 1.00 0.00 H new ATOM 499 N GLU B 13 -0.800 0.208 -5.989 1.00 0.00 N ATOM 500 CA GLU B 13 -0.386 -0.984 -6.780 1.00 0.00 C ATOM 501 C GLU B 13 0.007 -2.107 -5.821 1.00 0.00 C ATOM 502 O GLU B 13 0.070 -3.262 -6.193 1.00 0.00 O ATOM 503 CB GLU B 13 0.808 -0.621 -7.668 1.00 0.00 C ATOM 504 CG GLU B 13 0.358 0.355 -8.755 1.00 0.00 C ATOM 505 CD GLU B 13 1.104 0.056 -10.057 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.312 0.219 -10.074 1.00 0.00 O ATOM 507 OE2 GLU B 13 0.456 -0.330 -11.014 1.00 0.00 O ATOM 0 H GLU B 13 -0.164 1.004 -6.035 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.212 -1.313 -7.410 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.599 -0.173 -7.067 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.224 -1.521 -8.122 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.717 0.269 -8.912 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.553 1.380 -8.440 1.00 0.00 H new ATOM 514 N ALA B 14 0.261 -1.778 -4.583 1.00 0.00 N ATOM 515 CA ALA B 14 0.640 -2.826 -3.595 1.00 0.00 C ATOM 516 C ALA B 14 -0.587 -3.187 -2.756 1.00 0.00 C ATOM 517 O ALA B 14 -0.613 -4.192 -2.074 1.00 0.00 O ATOM 518 CB ALA B 14 1.745 -2.291 -2.681 1.00 0.00 C ATOM 0 H ALA B 14 0.222 -0.828 -4.214 1.00 0.00 H new ATOM 0 HA ALA B 14 1.003 -3.711 -4.117 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.022 -3.058 -1.958 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.616 -2.025 -3.280 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.385 -1.408 -2.153 1.00 0.00 H new ATOM 524 N LEU B 15 -1.606 -2.371 -2.802 1.00 0.00 N ATOM 525 CA LEU B 15 -2.832 -2.667 -2.011 1.00 0.00 C ATOM 526 C LEU B 15 -3.727 -3.625 -2.802 1.00 0.00 C ATOM 527 O LEU B 15 -4.254 -4.581 -2.267 1.00 0.00 O ATOM 528 CB LEU B 15 -3.594 -1.366 -1.743 1.00 0.00 C ATOM 529 CG LEU B 15 -2.807 -0.502 -0.754 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.477 0.866 -0.626 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.781 -1.185 0.613 1.00 0.00 C ATOM 0 H LEU B 15 -1.641 -1.513 -3.353 1.00 0.00 H new ATOM 0 HA LEU B 15 -2.551 -3.126 -1.063 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.745 -0.823 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.582 -1.588 -1.340 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.787 -0.375 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.917 1.481 0.078 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.495 1.355 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.497 0.739 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.221 -0.569 1.317 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.801 -1.313 0.975 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -2.303 -2.160 0.523 1.00 0.00 H new ATOM 543 N HIS B 16 -3.901 -3.380 -4.072 1.00 0.00 N ATOM 544 CA HIS B 16 -4.761 -4.280 -4.892 1.00 0.00 C ATOM 545 C HIS B 16 -4.080 -5.646 -5.029 1.00 0.00 C ATOM 546 O HIS B 16 -4.725 -6.676 -5.047 1.00 0.00 O ATOM 547 CB HIS B 16 -4.978 -3.653 -6.282 1.00 0.00 C ATOM 548 CG HIS B 16 -3.837 -3.996 -7.202 1.00 0.00 C ATOM 549 ND1 HIS B 16 -2.507 -3.669 -7.170 1.00 0.00 N flip ATOM 550 CD2 HIS B 16 -4.008 -4.782 -8.331 1.00 0.00 C flip ATOM 551 CE1 HIS B 16 -1.857 -4.240 -8.262 1.00 0.00 C flip ATOM 552 NE2 HIS B 16 -2.808 -4.900 -8.928 1.00 0.00 N flip ATOM 0 H HIS B 16 -3.486 -2.597 -4.577 1.00 0.00 H new ATOM 0 HA HIS B 16 -5.728 -4.411 -4.407 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -5.915 -4.012 -6.707 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -5.065 -2.570 -6.189 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -4.935 -5.220 -8.670 1.00 0.00 H new ATOM 0 HE1 HIS B 16 -0.810 -4.165 -8.515 1.00 0.00 H new ATOM 0 HE2 HIS B 16 -2.645 -5.429 -9.785 1.00 0.00 H new ATOM 560 N LEU B 17 -2.781 -5.656 -5.128 1.00 0.00 N ATOM 561 CA LEU B 17 -2.045 -6.944 -5.269 1.00 0.00 C ATOM 562 C LEU B 17 -2.214 -7.778 -3.995 1.00 0.00 C ATOM 563 O LEU B 17 -2.108 -8.988 -4.017 1.00 0.00 O ATOM 564 CB LEU B 17 -0.560 -6.652 -5.493 1.00 0.00 C ATOM 565 CG LEU B 17 0.196 -7.966 -5.694 1.00 0.00 C ATOM 566 CD1 LEU B 17 -0.197 -8.581 -7.037 1.00 0.00 C ATOM 567 CD2 LEU B 17 1.701 -7.691 -5.679 1.00 0.00 C ATOM 0 H LEU B 17 -2.193 -4.823 -5.117 1.00 0.00 H new ATOM 0 HA LEU B 17 -2.444 -7.500 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.433 -6.010 -6.365 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.152 -6.113 -4.638 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.057 -8.659 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU B 17 0.342 -9.518 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -1.270 -8.774 -7.049 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.056 -7.890 -7.841 1.00 0.00 H new ATOM 0 HD21 LEU B 17 2.243 -8.626 -5.822 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.952 -6.999 -6.483 1.00 0.00 H new ATOM 0 HD23 LEU B 17 1.981 -7.252 -4.721 1.00 0.00 H new ATOM 579 N VAL B 18 -2.468 -7.141 -2.884 1.00 0.00 N ATOM 580 CA VAL B 18 -2.634 -7.897 -1.612 1.00 0.00 C ATOM 581 C VAL B 18 -4.068 -8.419 -1.501 1.00 0.00 C ATOM 582 O VAL B 18 -4.300 -9.608 -1.403 1.00 0.00 O ATOM 583 CB VAL B 18 -2.337 -6.970 -0.431 1.00 0.00 C ATOM 584 CG1 VAL B 18 -2.626 -7.702 0.880 1.00 0.00 C ATOM 585 CG2 VAL B 18 -0.865 -6.555 -0.470 1.00 0.00 C ATOM 0 H VAL B 18 -2.568 -6.129 -2.803 1.00 0.00 H new ATOM 0 HA VAL B 18 -1.944 -8.741 -1.601 1.00 0.00 H new ATOM 0 HB VAL B 18 -2.968 -6.084 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -2.414 -7.041 1.720 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -3.674 -7.999 0.907 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -1.996 -8.589 0.948 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -0.651 -5.895 0.370 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -0.235 -7.442 -0.404 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -0.659 -6.032 -1.404 1.00 0.00 H new ATOM 595 N CYS B 19 -5.031 -7.539 -1.508 1.00 0.00 N ATOM 596 CA CYS B 19 -6.448 -7.985 -1.393 1.00 0.00 C ATOM 597 C CYS B 19 -6.876 -8.685 -2.687 1.00 0.00 C ATOM 598 O CYS B 19 -7.027 -9.890 -2.726 1.00 0.00 O ATOM 599 CB CYS B 19 -7.332 -6.765 -1.144 1.00 0.00 C ATOM 600 SG CYS B 19 -6.516 -5.669 0.043 1.00 0.00 S ATOM 0 H CYS B 19 -4.898 -6.531 -1.588 1.00 0.00 H new ATOM 0 HA CYS B 19 -6.549 -8.686 -0.564 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -7.514 -6.236 -2.080 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -8.303 -7.077 -0.760 1.00 0.00 H new ATOM 605 N GLY B 20 -7.071 -7.945 -3.743 1.00 0.00 N ATOM 606 CA GLY B 20 -7.484 -8.579 -5.027 1.00 0.00 C ATOM 607 C GLY B 20 -9.011 -8.622 -5.119 1.00 0.00 C ATOM 608 O GLY B 20 -9.670 -7.602 -5.193 1.00 0.00 O ATOM 0 H GLY B 20 -6.963 -6.931 -3.773 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -7.076 -8.018 -5.868 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -7.079 -9.589 -5.091 1.00 0.00 H new ATOM 612 N GLU B 21 -9.577 -9.798 -5.124 1.00 0.00 N ATOM 613 CA GLU B 21 -11.059 -9.925 -5.217 1.00 0.00 C ATOM 614 C GLU B 21 -11.727 -8.884 -4.319 1.00 0.00 C ATOM 615 O GLU B 21 -12.296 -7.916 -4.785 1.00 0.00 O ATOM 616 CB GLU B 21 -11.479 -11.324 -4.765 1.00 0.00 C ATOM 617 CG GLU B 21 -10.901 -12.371 -5.718 1.00 0.00 C ATOM 618 CD GLU B 21 -9.725 -13.082 -5.045 1.00 0.00 C ATOM 619 OE1 GLU B 21 -9.637 -13.019 -3.829 1.00 0.00 O ATOM 620 OE2 GLU B 21 -8.932 -13.679 -5.755 1.00 0.00 O ATOM 0 H GLU B 21 -9.072 -10.683 -5.067 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.368 -9.763 -6.250 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -11.127 -11.509 -3.750 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -12.566 -11.398 -4.744 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -11.670 -13.095 -5.989 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -10.571 -11.895 -6.641 1.00 0.00 H new ATOM 627 N ARG B 22 -11.667 -9.076 -3.030 1.00 0.00 N ATOM 628 CA ARG B 22 -12.305 -8.106 -2.098 1.00 0.00 C ATOM 629 C ARG B 22 -11.989 -6.676 -2.544 1.00 0.00 C ATOM 630 O ARG B 22 -12.853 -5.823 -2.576 1.00 0.00 O ATOM 631 CB ARG B 22 -11.772 -8.329 -0.683 1.00 0.00 C ATOM 632 CG ARG B 22 -12.562 -9.460 -0.018 1.00 0.00 C ATOM 633 CD ARG B 22 -11.663 -10.197 0.977 1.00 0.00 C ATOM 634 NE ARG B 22 -10.921 -11.277 0.269 1.00 0.00 N ATOM 635 CZ ARG B 22 -9.892 -11.848 0.836 1.00 0.00 C ATOM 636 NH1 ARG B 22 -9.512 -11.477 2.029 1.00 0.00 N ATOM 637 NH2 ARG B 22 -9.243 -12.790 0.209 1.00 0.00 N ATOM 0 H ARG B 22 -11.202 -9.865 -2.582 1.00 0.00 H new ATOM 0 HA ARG B 22 -13.385 -8.256 -2.107 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -10.712 -8.581 -0.717 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -11.864 -7.413 -0.099 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -13.434 -9.055 0.495 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -12.930 -10.154 -0.774 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.962 -9.500 1.436 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -12.264 -10.621 1.782 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.217 -11.572 -0.661 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.019 -10.740 2.520 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -8.708 -11.924 2.470 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -9.539 -13.080 -0.723 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -8.439 -13.237 0.651 1.00 0.00 H new ATOM 651 N GLY B 23 -10.761 -6.404 -2.891 1.00 0.00 N ATOM 652 CA GLY B 23 -10.405 -5.025 -3.330 1.00 0.00 C ATOM 653 C GLY B 23 -9.739 -4.278 -2.178 1.00 0.00 C ATOM 654 O GLY B 23 -9.329 -4.863 -1.195 1.00 0.00 O ATOM 0 H GLY B 23 -9.992 -7.074 -2.890 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -9.732 -5.067 -4.187 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.300 -4.493 -3.653 1.00 0.00 H new ATOM 658 N PHE B 24 -9.621 -2.986 -2.295 1.00 0.00 N ATOM 659 CA PHE B 24 -8.976 -2.193 -1.212 1.00 0.00 C ATOM 660 C PHE B 24 -9.462 -0.745 -1.280 1.00 0.00 C ATOM 661 O PHE B 24 -9.692 -0.204 -2.343 1.00 0.00 O ATOM 662 CB PHE B 24 -7.459 -2.224 -1.401 1.00 0.00 C ATOM 663 CG PHE B 24 -7.118 -1.602 -2.728 1.00 0.00 C ATOM 664 CD1 PHE B 24 -7.269 -2.350 -3.895 1.00 0.00 C ATOM 665 CD2 PHE B 24 -6.660 -0.283 -2.792 1.00 0.00 C ATOM 666 CE1 PHE B 24 -6.960 -1.782 -5.135 1.00 0.00 C ATOM 667 CE2 PHE B 24 -6.351 0.291 -4.032 1.00 0.00 C ATOM 668 CZ PHE B 24 -6.501 -0.460 -5.204 1.00 0.00 C ATOM 0 H PHE B 24 -9.944 -2.443 -3.096 1.00 0.00 H new ATOM 0 HA PHE B 24 -9.237 -2.620 -0.243 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -6.968 -1.681 -0.593 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -7.096 -3.251 -1.362 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.625 -3.368 -3.841 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.544 0.293 -1.886 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.075 -2.362 -6.039 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -5.998 1.310 -4.084 1.00 0.00 H new ATOM 0 HZ PHE B 24 -6.263 -0.020 -6.161 1.00 0.00 H new ATOM 678 N PHE B 25 -9.614 -0.106 -0.152 1.00 0.00 N ATOM 679 CA PHE B 25 -10.075 1.310 -0.154 1.00 0.00 C ATOM 680 C PHE B 25 -8.907 2.221 0.224 1.00 0.00 C ATOM 681 O PHE B 25 -8.679 2.511 1.381 1.00 0.00 O ATOM 682 CB PHE B 25 -11.212 1.485 0.857 1.00 0.00 C ATOM 683 CG PHE B 25 -11.009 0.541 2.020 1.00 0.00 C ATOM 684 CD1 PHE B 25 -10.266 0.954 3.134 1.00 0.00 C ATOM 685 CD2 PHE B 25 -11.563 -0.741 1.985 1.00 0.00 C ATOM 686 CE1 PHE B 25 -10.080 0.080 4.211 1.00 0.00 C ATOM 687 CE2 PHE B 25 -11.375 -1.616 3.061 1.00 0.00 C ATOM 688 CZ PHE B 25 -10.634 -1.205 4.174 1.00 0.00 C ATOM 0 H PHE B 25 -9.439 -0.504 0.771 1.00 0.00 H new ATOM 0 HA PHE B 25 -10.437 1.573 -1.148 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -11.240 2.515 1.213 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -12.171 1.287 0.378 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.838 1.945 3.161 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -12.137 -1.057 1.127 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -9.509 0.397 5.071 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.802 -2.608 3.032 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.489 -1.879 5.005 1.00 0.00 H new ATOM 698 N TYR B 26 -8.159 2.672 -0.747 1.00 0.00 N ATOM 699 CA TYR B 26 -7.000 3.560 -0.446 1.00 0.00 C ATOM 700 C TYR B 26 -7.510 4.923 0.025 1.00 0.00 C ATOM 701 O TYR B 26 -8.519 5.414 -0.438 1.00 0.00 O ATOM 702 CB TYR B 26 -6.155 3.738 -1.710 1.00 0.00 C ATOM 703 CG TYR B 26 -4.775 4.223 -1.332 1.00 0.00 C ATOM 704 CD1 TYR B 26 -4.087 3.626 -0.269 1.00 0.00 C ATOM 705 CD2 TYR B 26 -4.184 5.273 -2.045 1.00 0.00 C ATOM 706 CE1 TYR B 26 -2.806 4.077 0.079 1.00 0.00 C ATOM 707 CE2 TYR B 26 -2.905 5.725 -1.697 1.00 0.00 C ATOM 708 CZ TYR B 26 -2.215 5.126 -0.635 1.00 0.00 C ATOM 709 OH TYR B 26 -0.954 5.572 -0.291 1.00 0.00 O ATOM 0 H TYR B 26 -8.301 2.464 -1.735 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.391 3.111 0.339 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.085 2.793 -2.249 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.632 4.453 -2.381 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.543 2.818 0.283 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.715 5.735 -2.864 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.275 3.615 0.898 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -2.450 6.535 -2.247 1.00 0.00 H new ATOM 0 HH TYR B 26 -0.916 6.547 -0.382 1.00 0.00 H new ATOM 719 N THR B 27 -6.822 5.536 0.948 1.00 0.00 N ATOM 720 CA THR B 27 -7.268 6.865 1.451 1.00 0.00 C ATOM 721 C THR B 27 -6.058 7.797 1.573 1.00 0.00 C ATOM 722 O THR B 27 -5.680 8.182 2.661 1.00 0.00 O ATOM 723 CB THR B 27 -7.924 6.696 2.823 1.00 0.00 C ATOM 724 OG1 THR B 27 -8.985 5.756 2.724 1.00 0.00 O ATOM 725 CG2 THR B 27 -8.475 8.039 3.300 1.00 0.00 C ATOM 0 H THR B 27 -5.970 5.174 1.376 1.00 0.00 H new ATOM 0 HA THR B 27 -7.988 7.295 0.755 1.00 0.00 H new ATOM 0 HB THR B 27 -7.183 6.338 3.538 1.00 0.00 H new ATOM 0 HG1 THR B 27 -9.406 5.644 3.602 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.941 7.915 4.277 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.661 8.760 3.376 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.216 8.402 2.588 1.00 0.00 H new ATOM 733 N PRO B 28 -5.487 8.127 0.444 1.00 0.00 N ATOM 734 CA PRO B 28 -4.305 9.015 0.356 1.00 0.00 C ATOM 735 C PRO B 28 -4.628 10.385 0.959 1.00 0.00 C ATOM 736 O PRO B 28 -5.701 10.605 1.487 1.00 0.00 O ATOM 737 CB PRO B 28 -3.992 9.154 -1.137 1.00 0.00 C ATOM 738 CG PRO B 28 -5.031 8.321 -1.911 1.00 0.00 C ATOM 739 CD PRO B 28 -5.951 7.655 -0.880 1.00 0.00 C ATOM 0 HA PRO B 28 -3.456 8.608 0.906 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -4.036 10.200 -1.442 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -2.983 8.802 -1.351 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -5.607 8.956 -2.584 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -4.537 7.569 -2.526 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -6.992 7.931 -1.050 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -5.893 6.569 -0.949 1.00 0.00 H new ATOM 747 N LYS B 29 -3.707 11.307 0.886 1.00 0.00 N ATOM 748 CA LYS B 29 -3.959 12.662 1.454 1.00 0.00 C ATOM 749 C LYS B 29 -3.466 13.728 0.474 1.00 0.00 C ATOM 750 O LYS B 29 -2.752 14.641 0.843 1.00 0.00 O ATOM 751 CB LYS B 29 -3.210 12.807 2.781 1.00 0.00 C ATOM 752 CG LYS B 29 -3.915 11.988 3.863 1.00 0.00 C ATOM 753 CD LYS B 29 -2.870 11.366 4.791 1.00 0.00 C ATOM 754 CE LYS B 29 -2.909 9.842 4.660 1.00 0.00 C ATOM 755 NZ LYS B 29 -2.665 9.226 5.993 1.00 0.00 N ATOM 0 H LYS B 29 -2.790 11.180 0.457 1.00 0.00 H new ATOM 0 HA LYS B 29 -5.028 12.790 1.623 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -2.180 12.468 2.667 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -3.169 13.856 3.074 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -4.591 12.624 4.434 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -4.522 11.207 3.406 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -1.877 11.738 4.538 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -3.066 11.657 5.823 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -3.876 9.524 4.271 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -2.154 9.507 3.949 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -2.691 8.190 5.907 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -1.732 9.521 6.346 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -3.401 9.536 6.659 1.00 0.00 H new ATOM 769 N THR B 30 -3.837 13.624 -0.773 1.00 0.00 N ATOM 770 CA THR B 30 -3.388 14.633 -1.772 1.00 0.00 C ATOM 771 C THR B 30 -4.607 15.339 -2.366 1.00 0.00 C ATOM 772 O THR B 30 -5.712 14.912 -2.077 1.00 0.00 O ATOM 773 CB THR B 30 -2.606 13.935 -2.888 1.00 0.00 C ATOM 774 OG1 THR B 30 -1.618 13.090 -2.314 1.00 0.00 O ATOM 775 CG2 THR B 30 -1.933 14.984 -3.774 1.00 0.00 C ATOM 776 OXT THR B 30 -4.414 16.296 -3.099 1.00 0.00 O ATOM 0 H THR B 30 -4.432 12.883 -1.143 1.00 0.00 H new ATOM 0 HA THR B 30 -2.746 15.366 -1.284 1.00 0.00 H new ATOM 0 HB THR B 30 -3.288 13.337 -3.492 1.00 0.00 H new ATOM 0 HG1 THR B 30 -1.117 12.641 -3.027 1.00 0.00 H new ATOM 0 HG21 THR B 30 -1.376 14.486 -4.568 1.00 0.00 H new ATOM 0 HG22 THR B 30 -2.693 15.631 -4.213 1.00 0.00 H new ATOM 0 HG23 THR B 30 -1.250 15.584 -3.173 1.00 0.00 H new TER 784 THR B 30