USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 385 hydrogens (10 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 NoAdj-H: B 20 DAL H2 : B 20 DAL N : B 19 CYS C :(H bumps) USER MOD NoAdj-H: B 23 DAL H2 : B 23 DAL N : B 22 ARG C :(H bumps) 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) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -1.9! C(o=-1.9!,f=-1.8!) USER MOD Single : A 19 TYR OH : rot -62:sc= -8.08! USER MOD Single : A 21 ASN : amide:sc= -2.51! C(o=-2.5!,f=-5.8!) USER MOD Single : B 1 PHE N :NH3+ -124:sc= 0.808 (180deg=-1.41!) USER MOD Single : B 3 ASN : amide:sc= -1.03 K(o=-1,f=-0.37) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : B 5 HIS : no HE2:sc= -3.64! K(o=-3.6!,f=-1.7) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0632 USER MOD Single : B 10 HIS : no HD1:sc= -2.25! K(o=-2.2!,f=0.28) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot -21:sc= -2.78! USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.292! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0232 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.600 2.860 3.376 1.00 0.00 N ATOM 2 CA GLY A 1 -8.410 2.777 2.422 1.00 0.00 C ATOM 3 C GLY A 1 -7.225 3.655 2.646 1.00 0.00 C ATOM 4 O GLY A 1 -7.297 4.640 3.355 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.333 2.185 3.077 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.289 2.627 4.341 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.990 3.824 3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.058 1.745 2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.782 2.981 1.418 1.00 0.00 H new ATOM 10 N ILE A 2 -6.109 3.326 2.056 1.00 0.00 N ATOM 11 CA ILE A 2 -4.890 4.162 2.244 1.00 0.00 C ATOM 12 C ILE A 2 -4.634 4.991 0.984 1.00 0.00 C ATOM 13 O ILE A 2 -3.616 5.642 0.854 1.00 0.00 O ATOM 14 CB ILE A 2 -3.689 3.253 2.512 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.531 4.088 3.062 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.254 2.573 1.211 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.378 3.823 4.560 1.00 0.00 C ATOM 0 H ILE A 2 -5.989 2.514 1.451 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.037 4.832 3.091 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.969 2.492 3.240 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.607 3.836 2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.717 5.148 2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.398 1.927 1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.078 1.976 0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.976 3.332 0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.553 4.418 4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.299 4.097 5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.172 2.765 4.723 1.00 0.00 H new ATOM 29 N VAL A 3 -5.549 4.971 0.056 1.00 0.00 N ATOM 30 CA VAL A 3 -5.364 5.753 -1.194 1.00 0.00 C ATOM 31 C VAL A 3 -4.850 7.155 -0.856 1.00 0.00 C ATOM 32 O VAL A 3 -4.199 7.796 -1.658 1.00 0.00 O ATOM 33 CB VAL A 3 -6.708 5.862 -1.911 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.502 6.492 -3.286 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.313 4.465 -2.075 1.00 0.00 C ATOM 0 H VAL A 3 -6.420 4.444 0.111 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.639 5.253 -1.836 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.384 6.484 -1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.461 6.570 -3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.071 7.486 -3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.827 5.870 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.272 4.542 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.638 3.843 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.460 4.015 -1.093 1.00 0.00 H new ATOM 45 N GLU A 4 -5.140 7.639 0.321 1.00 0.00 N ATOM 46 CA GLU A 4 -4.670 9.001 0.703 1.00 0.00 C ATOM 47 C GLU A 4 -3.159 8.978 0.947 1.00 0.00 C ATOM 48 O GLU A 4 -2.502 10.000 0.920 1.00 0.00 O ATOM 49 CB GLU A 4 -5.387 9.446 1.978 1.00 0.00 C ATOM 50 CG GLU A 4 -6.449 10.489 1.629 1.00 0.00 C ATOM 51 CD GLU A 4 -7.728 10.201 2.416 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.850 9.098 2.926 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.563 11.086 2.497 1.00 0.00 O ATOM 0 H GLU A 4 -5.682 7.151 1.034 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.892 9.699 -0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.851 8.588 2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.670 9.864 2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.083 11.488 1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.656 10.468 0.559 1.00 0.00 H new ATOM 60 N GLN A 5 -2.602 7.823 1.185 1.00 0.00 N ATOM 61 CA GLN A 5 -1.134 7.740 1.430 1.00 0.00 C ATOM 62 C GLN A 5 -0.436 7.218 0.172 1.00 0.00 C ATOM 63 O GLN A 5 0.715 7.515 -0.078 1.00 0.00 O ATOM 64 CB GLN A 5 -0.864 6.789 2.598 1.00 0.00 C ATOM 65 CG GLN A 5 0.551 7.025 3.133 1.00 0.00 C ATOM 66 CD GLN A 5 0.495 7.239 4.648 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.101 8.291 5.110 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.875 6.279 5.445 1.00 0.00 N ATOM 0 H GLN A 5 -3.099 6.933 1.221 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.749 8.730 1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.595 6.952 3.390 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.973 5.755 2.271 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.187 6.171 2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.994 7.895 2.648 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.206 5.395 5.058 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.841 6.412 6.456 1.00 0.00 H new ATOM 77 N CYS A 6 -1.124 6.441 -0.620 1.00 0.00 N ATOM 78 CA CYS A 6 -0.500 5.898 -1.860 1.00 0.00 C ATOM 79 C CYS A 6 -0.749 6.860 -3.025 1.00 0.00 C ATOM 80 O CYS A 6 -0.138 6.752 -4.069 1.00 0.00 O ATOM 81 CB CYS A 6 -1.122 4.540 -2.188 1.00 0.00 C ATOM 82 SG CYS A 6 -0.115 3.215 -1.474 1.00 0.00 S ATOM 0 H CYS A 6 -2.091 6.159 -0.462 1.00 0.00 H new ATOM 0 HA CYS A 6 0.573 5.784 -1.704 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.137 4.490 -1.794 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.193 4.414 -3.268 1.00 0.00 H new ATOM 87 N CYS A 7 -1.643 7.793 -2.860 1.00 0.00 N ATOM 88 CA CYS A 7 -1.932 8.751 -3.964 1.00 0.00 C ATOM 89 C CYS A 7 -1.810 10.185 -3.446 1.00 0.00 C ATOM 90 O CYS A 7 -1.052 10.981 -3.963 1.00 0.00 O ATOM 91 CB CYS A 7 -3.350 8.518 -4.473 1.00 0.00 C ATOM 92 SG CYS A 7 -3.369 8.641 -6.277 1.00 0.00 S ATOM 0 H CYS A 7 -2.187 7.934 -2.009 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.219 8.597 -4.774 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.703 7.535 -4.161 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.029 9.253 -4.040 1.00 0.00 H new ATOM 97 N THR A 8 -2.551 10.523 -2.428 1.00 0.00 N ATOM 98 CA THR A 8 -2.477 11.905 -1.880 1.00 0.00 C ATOM 99 C THR A 8 -1.171 12.072 -1.103 1.00 0.00 C ATOM 100 O THR A 8 -0.722 13.173 -0.848 1.00 0.00 O ATOM 101 CB THR A 8 -3.665 12.148 -0.946 1.00 0.00 C ATOM 102 OG1 THR A 8 -4.867 12.167 -1.705 1.00 0.00 O ATOM 103 CG2 THR A 8 -3.490 13.489 -0.232 1.00 0.00 C ATOM 0 H THR A 8 -3.205 9.901 -1.952 1.00 0.00 H new ATOM 0 HA THR A 8 -2.508 12.625 -2.698 1.00 0.00 H new ATOM 0 HB THR A 8 -3.714 11.349 -0.206 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.629 12.321 -1.108 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.337 13.661 0.433 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.569 13.474 0.350 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.440 14.290 -0.970 1.00 0.00 H new ATOM 111 N SER A 9 -0.554 10.984 -0.727 1.00 0.00 N ATOM 112 CA SER A 9 0.727 11.073 0.031 1.00 0.00 C ATOM 113 C SER A 9 1.679 9.979 -0.461 1.00 0.00 C ATOM 114 O SER A 9 1.467 9.380 -1.498 1.00 0.00 O ATOM 115 CB SER A 9 0.449 10.876 1.522 1.00 0.00 C ATOM 116 OG SER A 9 0.899 12.017 2.240 1.00 0.00 O ATOM 0 H SER A 9 -0.882 10.036 -0.912 1.00 0.00 H new ATOM 0 HA SER A 9 1.181 12.051 -0.126 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.618 10.726 1.688 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.957 9.982 1.883 1.00 0.00 H new ATOM 0 HG SER A 9 0.720 11.894 3.196 1.00 0.00 H new ATOM 122 N ILE A 10 2.726 9.714 0.272 1.00 0.00 N ATOM 123 CA ILE A 10 3.689 8.661 -0.151 1.00 0.00 C ATOM 124 C ILE A 10 3.375 7.358 0.588 1.00 0.00 C ATOM 125 O ILE A 10 2.910 7.368 1.711 1.00 0.00 O ATOM 126 CB ILE A 10 5.108 9.110 0.188 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.434 10.396 -0.573 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.100 8.021 -0.211 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.169 11.602 0.328 1.00 0.00 C ATOM 0 H ILE A 10 2.955 10.184 1.148 1.00 0.00 H new ATOM 0 HA ILE A 10 3.605 8.498 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 10 5.181 9.292 1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.476 10.389 -0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.826 10.462 -1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.112 8.344 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.872 7.104 0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.026 7.836 -1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.401 12.519 -0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.120 11.611 0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.797 11.537 1.217 1.00 0.00 H new ATOM 141 N CYS A 11 3.621 6.236 -0.031 1.00 0.00 N ATOM 142 CA CYS A 11 3.332 4.937 0.638 1.00 0.00 C ATOM 143 C CYS A 11 4.643 4.247 1.021 1.00 0.00 C ATOM 144 O CYS A 11 5.581 4.202 0.251 1.00 0.00 O ATOM 145 CB CYS A 11 2.551 4.037 -0.320 1.00 0.00 C ATOM 146 SG CYS A 11 0.794 4.076 0.111 1.00 0.00 S ATOM 0 H CYS A 11 4.010 6.163 -0.971 1.00 0.00 H new ATOM 0 HA CYS A 11 2.744 5.119 1.537 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.692 4.373 -1.347 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.927 3.016 -0.264 1.00 0.00 H new ATOM 151 N SER A 12 4.712 3.702 2.205 1.00 0.00 N ATOM 152 CA SER A 12 5.957 3.005 2.637 1.00 0.00 C ATOM 153 C SER A 12 5.731 1.495 2.577 1.00 0.00 C ATOM 154 O SER A 12 4.841 0.967 3.214 1.00 0.00 O ATOM 155 CB SER A 12 6.304 3.414 4.069 1.00 0.00 C ATOM 156 OG SER A 12 5.128 3.862 4.728 1.00 0.00 O ATOM 0 H SER A 12 3.959 3.709 2.893 1.00 0.00 H new ATOM 0 HA SER A 12 6.779 3.280 1.976 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.736 2.570 4.606 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.054 4.205 4.062 1.00 0.00 H new ATOM 0 HG SER A 12 5.347 4.123 5.647 1.00 0.00 H new ATOM 162 N LEU A 13 6.520 0.792 1.813 1.00 0.00 N ATOM 163 CA LEU A 13 6.334 -0.682 1.713 1.00 0.00 C ATOM 164 C LEU A 13 6.124 -1.270 3.106 1.00 0.00 C ATOM 165 O LEU A 13 5.461 -2.274 3.269 1.00 0.00 O ATOM 166 CB LEU A 13 7.564 -1.319 1.062 1.00 0.00 C ATOM 167 CG LEU A 13 8.795 -1.074 1.938 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.524 -2.396 2.177 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.734 -0.097 1.228 1.00 0.00 C ATOM 0 H LEU A 13 7.284 1.174 1.255 1.00 0.00 H new ATOM 0 HA LEU A 13 5.458 -0.891 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.405 -2.390 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.722 -0.897 0.069 1.00 0.00 H new ATOM 0 HG LEU A 13 8.484 -0.654 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.400 -2.221 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.855 -3.095 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.837 -2.817 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.612 0.080 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.044 -0.520 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.215 0.846 1.056 1.00 0.00 H new ATOM 181 N TYR A 14 6.673 -0.656 4.115 1.00 0.00 N ATOM 182 CA TYR A 14 6.484 -1.193 5.489 1.00 0.00 C ATOM 183 C TYR A 14 4.995 -1.158 5.829 1.00 0.00 C ATOM 184 O TYR A 14 4.412 -2.151 6.215 1.00 0.00 O ATOM 185 CB TYR A 14 7.260 -0.335 6.491 1.00 0.00 C ATOM 186 CG TYR A 14 7.293 -1.038 7.827 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.704 -2.376 7.904 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.912 -0.354 8.989 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.734 -3.029 9.143 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.942 -1.008 10.229 1.00 0.00 C ATOM 191 CZ TYR A 14 7.353 -2.345 10.305 1.00 0.00 C ATOM 192 OH TYR A 14 7.382 -2.989 11.526 1.00 0.00 O ATOM 0 H TYR A 14 7.241 0.189 4.049 1.00 0.00 H new ATOM 0 HA TYR A 14 6.853 -2.217 5.540 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.275 -0.164 6.132 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.788 0.642 6.593 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.997 -2.903 7.008 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.595 0.677 8.930 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.051 -4.060 9.203 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.648 -0.481 11.125 1.00 0.00 H new ATOM 0 HH TYR A 14 7.089 -2.372 12.228 1.00 0.00 H new ATOM 202 N GLN A 15 4.371 -0.023 5.670 1.00 0.00 N ATOM 203 CA GLN A 15 2.916 0.070 5.971 1.00 0.00 C ATOM 204 C GLN A 15 2.146 -0.704 4.904 1.00 0.00 C ATOM 205 O GLN A 15 1.316 -1.539 5.202 1.00 0.00 O ATOM 206 CB GLN A 15 2.481 1.537 5.957 1.00 0.00 C ATOM 207 CG GLN A 15 3.243 2.306 7.037 1.00 0.00 C ATOM 208 CD GLN A 15 2.380 2.410 8.293 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.731 3.414 8.517 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.344 1.411 9.131 1.00 0.00 N ATOM 0 H GLN A 15 4.805 0.841 5.346 1.00 0.00 H new ATOM 0 HA GLN A 15 2.712 -0.351 6.956 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.675 1.975 4.978 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.408 1.611 6.132 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.180 1.798 7.267 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.500 3.302 6.676 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.888 0.569 8.944 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.772 1.472 9.973 1.00 0.00 H new ATOM 219 N LEU A 16 2.429 -0.438 3.661 1.00 0.00 N ATOM 220 CA LEU A 16 1.734 -1.159 2.567 1.00 0.00 C ATOM 221 C LEU A 16 1.811 -2.659 2.815 1.00 0.00 C ATOM 222 O LEU A 16 0.940 -3.411 2.423 1.00 0.00 O ATOM 223 CB LEU A 16 2.442 -0.860 1.258 1.00 0.00 C ATOM 224 CG LEU A 16 1.904 0.430 0.664 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.572 0.641 -0.684 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.388 0.321 0.479 1.00 0.00 C ATOM 0 H LEU A 16 3.116 0.252 3.357 1.00 0.00 H new ATOM 0 HA LEU A 16 0.693 -0.840 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.515 -0.773 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.294 -1.683 0.558 1.00 0.00 H new ATOM 0 HG LEU A 16 2.115 1.269 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.202 1.563 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.651 0.711 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.342 -0.199 -1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.006 1.249 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.162 -0.507 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.085 0.144 1.445 1.00 0.00 H new ATOM 238 N GLU A 17 2.859 -3.109 3.443 1.00 0.00 N ATOM 239 CA GLU A 17 2.990 -4.565 3.686 1.00 0.00 C ATOM 240 C GLU A 17 1.907 -5.016 4.665 1.00 0.00 C ATOM 241 O GLU A 17 1.667 -6.193 4.843 1.00 0.00 O ATOM 242 CB GLU A 17 4.371 -4.871 4.270 1.00 0.00 C ATOM 243 CG GLU A 17 4.469 -6.364 4.589 1.00 0.00 C ATOM 244 CD GLU A 17 5.906 -6.708 4.987 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.685 -7.022 4.103 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.200 -6.651 6.169 1.00 0.00 O ATOM 0 H GLU A 17 3.624 -2.534 3.795 1.00 0.00 H new ATOM 0 HA GLU A 17 2.874 -5.100 2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.149 -4.588 3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.534 -4.283 5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.785 -6.619 5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.170 -6.952 3.722 1.00 0.00 H new ATOM 253 N ASN A 18 1.252 -4.088 5.305 1.00 0.00 N ATOM 254 CA ASN A 18 0.186 -4.462 6.277 1.00 0.00 C ATOM 255 C ASN A 18 -1.123 -4.721 5.523 1.00 0.00 C ATOM 256 O ASN A 18 -2.150 -4.979 6.119 1.00 0.00 O ATOM 257 CB ASN A 18 -0.014 -3.322 7.278 1.00 0.00 C ATOM 258 CG ASN A 18 -0.959 -3.778 8.391 1.00 0.00 C ATOM 259 OD1 ASN A 18 -2.152 -3.877 8.188 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.473 -4.062 9.568 1.00 0.00 N ATOM 0 H ASN A 18 1.409 -3.086 5.197 1.00 0.00 H new ATOM 0 HA ASN A 18 0.480 -5.365 6.812 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.945 -3.023 7.701 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.426 -2.448 6.773 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.095 -4.367 10.317 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.529 -3.979 9.740 1.00 0.00 H new ATOM 267 N TYR A 19 -1.093 -4.655 4.218 1.00 0.00 N ATOM 268 CA TYR A 19 -2.336 -4.902 3.433 1.00 0.00 C ATOM 269 C TYR A 19 -2.267 -6.292 2.801 1.00 0.00 C ATOM 270 O TYR A 19 -3.068 -6.639 1.957 1.00 0.00 O ATOM 271 CB TYR A 19 -2.464 -3.848 2.333 1.00 0.00 C ATOM 272 CG TYR A 19 -2.600 -2.480 2.955 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.475 -1.840 3.492 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.849 -1.848 2.993 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.598 -0.569 4.067 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.973 -0.576 3.568 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.848 0.064 4.104 1.00 0.00 C ATOM 278 OH TYR A 19 -2.970 1.317 4.670 1.00 0.00 O ATOM 0 H TYR A 19 -0.264 -4.441 3.664 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.201 -4.843 4.093 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.589 -3.878 1.684 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.332 -4.063 1.709 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.512 -2.328 3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.716 -2.341 2.579 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.731 -0.077 4.482 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.936 -0.089 3.598 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.727 1.273 5.618 1.00 0.00 H new ATOM 288 N CYS A 20 -1.314 -7.088 3.196 1.00 0.00 N ATOM 289 CA CYS A 20 -1.194 -8.451 2.610 1.00 0.00 C ATOM 290 C CYS A 20 -2.363 -9.314 3.095 1.00 0.00 C ATOM 291 O CYS A 20 -3.206 -8.867 3.846 1.00 0.00 O ATOM 292 CB CYS A 20 0.124 -9.081 3.061 1.00 0.00 C ATOM 293 SG CYS A 20 0.875 -9.941 1.660 1.00 0.00 S ATOM 0 H CYS A 20 -0.613 -6.854 3.899 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.214 -8.386 1.522 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.799 -8.312 3.437 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.053 -9.778 3.880 1.00 0.00 H new ATOM 298 N ASN A 21 -2.419 -10.548 2.672 1.00 0.00 N ATOM 299 CA ASN A 21 -3.533 -11.435 3.111 1.00 0.00 C ATOM 300 C ASN A 21 -2.958 -12.695 3.761 1.00 0.00 C ATOM 301 O ASN A 21 -1.745 -12.825 3.785 1.00 0.00 O ATOM 302 CB ASN A 21 -4.385 -11.828 1.903 1.00 0.00 C ATOM 303 CG ASN A 21 -3.596 -12.785 1.008 1.00 0.00 C ATOM 304 OD1 ASN A 21 -2.444 -13.070 1.269 1.00 0.00 O ATOM 305 ND2 ASN A 21 -4.169 -13.299 -0.046 1.00 0.00 N ATOM 306 OXT ASN A 21 -3.739 -13.509 4.223 1.00 0.00 O ATOM 0 H ASN A 21 -1.742 -10.979 2.042 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.153 -10.904 3.833 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.308 -12.303 2.235 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.669 -10.938 1.340 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.650 -13.938 -0.648 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.136 -13.062 -0.268 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 10.756 2.160 -0.705 1.00 0.00 N ATOM 315 CA PHE B 1 12.004 2.957 -0.875 1.00 0.00 C ATOM 316 C PHE B 1 11.869 3.858 -2.105 1.00 0.00 C ATOM 317 O PHE B 1 12.701 3.842 -2.992 1.00 0.00 O ATOM 318 CB PHE B 1 13.192 2.012 -1.061 1.00 0.00 C ATOM 319 CG PHE B 1 12.759 0.809 -1.864 1.00 0.00 C ATOM 320 CD1 PHE B 1 12.619 0.908 -3.254 1.00 0.00 C ATOM 321 CD2 PHE B 1 12.499 -0.407 -1.218 1.00 0.00 C ATOM 322 CE1 PHE B 1 12.220 -0.210 -3.999 1.00 0.00 C ATOM 323 CE2 PHE B 1 12.098 -1.524 -1.962 1.00 0.00 C ATOM 324 CZ PHE B 1 11.959 -1.425 -3.353 1.00 0.00 C ATOM 0 H1 PHE B 1 10.366 2.324 0.245 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.059 2.450 -1.420 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.971 1.149 -0.821 1.00 0.00 H new ATOM 0 HA PHE B 1 12.166 3.572 0.010 1.00 0.00 H new ATOM 0 HB2 PHE B 1 14.005 2.529 -1.571 1.00 0.00 H new ATOM 0 HB3 PHE B 1 13.574 1.696 -0.090 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.818 1.846 -3.752 1.00 0.00 H new ATOM 0 HD2 PHE B 1 12.608 -0.483 -0.146 1.00 0.00 H new ATOM 0 HE1 PHE B 1 12.114 -0.135 -5.071 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.896 -2.461 -1.464 1.00 0.00 H new ATOM 0 HZ PHE B 1 11.650 -2.286 -3.927 1.00 0.00 H new ATOM 336 N VAL B 2 10.828 4.643 -2.165 1.00 0.00 N ATOM 337 CA VAL B 2 10.643 5.546 -3.336 1.00 0.00 C ATOM 338 C VAL B 2 9.685 6.677 -2.962 1.00 0.00 C ATOM 339 O VAL B 2 8.793 6.508 -2.155 1.00 0.00 O ATOM 340 CB VAL B 2 10.058 4.751 -4.505 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.180 4.003 -5.228 1.00 0.00 C ATOM 342 CG2 VAL B 2 9.037 3.745 -3.972 1.00 0.00 C ATOM 0 H VAL B 2 10.098 4.698 -1.454 1.00 0.00 H new ATOM 0 HA VAL B 2 11.606 5.966 -3.626 1.00 0.00 H new ATOM 0 HB VAL B 2 9.571 5.433 -5.201 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.762 3.437 -6.061 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.910 4.719 -5.606 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.668 3.320 -4.533 1.00 0.00 H new ATOM 0 HG21 VAL B 2 8.618 3.177 -4.803 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.527 3.063 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.237 4.277 -3.456 1.00 0.00 H new ATOM 352 N ASN B 3 9.861 7.831 -3.545 1.00 0.00 N ATOM 353 CA ASN B 3 8.959 8.973 -3.225 1.00 0.00 C ATOM 354 C ASN B 3 8.144 9.338 -4.460 1.00 0.00 C ATOM 355 O ASN B 3 8.513 10.205 -5.227 1.00 0.00 O ATOM 356 CB ASN B 3 9.793 10.179 -2.787 1.00 0.00 C ATOM 357 CG ASN B 3 8.921 11.133 -1.967 1.00 0.00 C ATOM 358 OD1 ASN B 3 8.347 12.061 -2.502 1.00 0.00 O ATOM 359 ND2 ASN B 3 8.795 10.944 -0.682 1.00 0.00 N ATOM 0 H ASN B 3 10.590 8.032 -4.229 1.00 0.00 H new ATOM 0 HA ASN B 3 8.286 8.687 -2.417 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.646 9.849 -2.194 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.193 10.695 -3.660 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.215 11.575 -0.128 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.276 10.166 -0.231 1.00 0.00 H new ATOM 366 N GLN B 4 7.037 8.683 -4.663 1.00 0.00 N ATOM 367 CA GLN B 4 6.206 8.998 -5.851 1.00 0.00 C ATOM 368 C GLN B 4 4.779 8.489 -5.634 1.00 0.00 C ATOM 369 O GLN B 4 4.512 7.307 -5.724 1.00 0.00 O ATOM 370 CB GLN B 4 6.811 8.323 -7.079 1.00 0.00 C ATOM 371 CG GLN B 4 6.742 9.287 -8.258 1.00 0.00 C ATOM 372 CD GLN B 4 6.885 8.511 -9.570 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.714 7.629 -9.680 1.00 0.00 O ATOM 374 NE2 GLN B 4 6.107 8.805 -10.575 1.00 0.00 N ATOM 0 H GLN B 4 6.674 7.946 -4.059 1.00 0.00 H new ATOM 0 HA GLN B 4 6.180 10.077 -6.002 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.846 8.041 -6.883 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.269 7.406 -7.310 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.794 9.825 -8.245 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.533 10.032 -8.177 1.00 0.00 H new ATOM 0 HE21 GLN B 4 5.411 9.545 -10.482 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.194 8.295 -11.454 1.00 0.00 H new ATOM 383 N HIS B 5 3.861 9.373 -5.353 1.00 0.00 N ATOM 384 CA HIS B 5 2.453 8.936 -5.137 1.00 0.00 C ATOM 385 C HIS B 5 2.006 8.086 -6.326 1.00 0.00 C ATOM 386 O HIS B 5 2.528 8.213 -7.417 1.00 0.00 O ATOM 387 CB HIS B 5 1.546 10.162 -5.021 1.00 0.00 C ATOM 388 CG HIS B 5 2.187 11.185 -4.124 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.730 12.485 -4.077 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.236 11.088 -3.254 1.00 0.00 C ATOM 391 CE1 HIS B 5 2.501 13.131 -3.191 1.00 0.00 C ATOM 392 NE2 HIS B 5 3.437 12.317 -2.661 1.00 0.00 N ATOM 0 H HIS B 5 4.024 10.376 -5.264 1.00 0.00 H new ATOM 0 HA HIS B 5 2.389 8.352 -4.219 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.369 10.590 -6.008 1.00 0.00 H new ATOM 0 HB3 HIS B 5 0.575 9.871 -4.621 1.00 0.00 H new ATOM 0 HD1 HIS B 5 0.956 12.879 -4.612 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.813 10.196 -3.062 1.00 0.00 H new ATOM 0 HE1 HIS B 5 2.387 14.174 -2.933 1.00 0.00 H new ATOM 400 N LEU B 6 1.049 7.221 -6.135 1.00 0.00 N ATOM 401 CA LEU B 6 0.591 6.372 -7.268 1.00 0.00 C ATOM 402 C LEU B 6 -0.860 5.936 -7.052 1.00 0.00 C ATOM 403 O LEU B 6 -1.307 5.746 -5.937 1.00 0.00 O ATOM 404 CB LEU B 6 1.487 5.137 -7.364 1.00 0.00 C ATOM 405 CG LEU B 6 2.796 5.524 -8.052 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.685 4.291 -8.189 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.492 6.088 -9.442 1.00 0.00 C ATOM 0 H LEU B 6 0.567 7.066 -5.249 1.00 0.00 H new ATOM 0 HA LEU B 6 0.651 6.947 -8.192 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.688 4.739 -6.369 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.984 4.350 -7.926 1.00 0.00 H new ATOM 0 HG LEU B 6 3.310 6.278 -7.456 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.618 4.568 -8.680 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.901 3.887 -7.200 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.172 3.537 -8.785 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.424 6.365 -9.934 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.978 5.333 -10.037 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.857 6.969 -9.346 1.00 0.00 H new ATOM 419 N CYS B 7 -1.591 5.767 -8.118 1.00 0.00 N ATOM 420 CA CYS B 7 -3.015 5.332 -8.005 1.00 0.00 C ATOM 421 C CYS B 7 -3.279 4.181 -8.972 1.00 0.00 C ATOM 422 O CYS B 7 -2.370 3.581 -9.509 1.00 0.00 O ATOM 423 CB CYS B 7 -3.941 6.501 -8.348 1.00 0.00 C ATOM 424 SG CYS B 7 -4.649 7.186 -6.830 1.00 0.00 S ATOM 0 H CYS B 7 -1.262 5.912 -9.072 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.207 5.003 -6.984 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.386 7.272 -8.882 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.737 6.164 -9.012 1.00 0.00 H new ATOM 429 N GLY B 8 -4.523 3.871 -9.197 1.00 0.00 N ATOM 430 CA GLY B 8 -4.866 2.762 -10.131 1.00 0.00 C ATOM 431 C GLY B 8 -3.972 1.552 -9.857 1.00 0.00 C ATOM 432 O GLY B 8 -3.398 1.414 -8.793 1.00 0.00 O ATOM 0 H GLY B 8 -5.323 4.340 -8.772 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.913 2.485 -10.011 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.740 3.092 -11.162 1.00 0.00 H new ATOM 436 N SER B 9 -3.854 0.670 -10.813 1.00 0.00 N ATOM 437 CA SER B 9 -3.006 -0.537 -10.617 1.00 0.00 C ATOM 438 C SER B 9 -1.583 -0.109 -10.253 1.00 0.00 C ATOM 439 O SER B 9 -0.832 -0.854 -9.656 1.00 0.00 O ATOM 440 CB SER B 9 -2.978 -1.358 -11.905 1.00 0.00 C ATOM 441 OG SER B 9 -3.059 -0.484 -13.022 1.00 0.00 O ATOM 0 H SER B 9 -4.310 0.735 -11.723 1.00 0.00 H new ATOM 0 HA SER B 9 -3.420 -1.142 -9.811 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.062 -1.946 -11.955 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.810 -2.062 -11.919 1.00 0.00 H new ATOM 0 HG SER B 9 -3.039 -1.008 -13.850 1.00 0.00 H new ATOM 447 N HIS B 10 -1.203 1.086 -10.611 1.00 0.00 N ATOM 448 CA HIS B 10 0.175 1.557 -10.286 1.00 0.00 C ATOM 449 C HIS B 10 0.373 1.553 -8.772 1.00 0.00 C ATOM 450 O HIS B 10 1.275 0.924 -8.256 1.00 0.00 O ATOM 451 CB HIS B 10 0.384 2.982 -10.812 1.00 0.00 C ATOM 452 CG HIS B 10 -0.379 3.177 -12.094 1.00 0.00 C ATOM 453 ND1 HIS B 10 0.187 2.901 -13.320 1.00 0.00 N ATOM 454 CD2 HIS B 10 -1.650 3.628 -12.322 1.00 0.00 C ATOM 455 CE1 HIS B 10 -0.741 3.188 -14.245 1.00 0.00 C ATOM 456 NE2 HIS B 10 -1.881 3.638 -13.680 1.00 0.00 N ATOM 0 H HIS B 10 -1.785 1.756 -11.114 1.00 0.00 H new ATOM 0 HA HIS B 10 0.895 0.888 -10.758 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.051 3.705 -10.068 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.445 3.164 -10.980 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -2.357 3.927 -11.562 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -0.594 3.073 -15.309 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -2.735 3.925 -14.158 1.00 0.00 H new ATOM 464 N LEU B 11 -0.457 2.253 -8.054 1.00 0.00 N ATOM 465 CA LEU B 11 -0.304 2.289 -6.577 1.00 0.00 C ATOM 466 C LEU B 11 -0.273 0.856 -6.029 1.00 0.00 C ATOM 467 O LEU B 11 0.452 0.553 -5.102 1.00 0.00 O ATOM 468 CB LEU B 11 -1.454 3.091 -5.963 1.00 0.00 C ATOM 469 CG LEU B 11 -2.620 2.178 -5.612 1.00 0.00 C ATOM 470 CD1 LEU B 11 -2.442 1.653 -4.190 1.00 0.00 C ATOM 471 CD2 LEU B 11 -3.904 2.977 -5.702 1.00 0.00 C ATOM 0 H LEU B 11 -1.233 2.801 -8.426 1.00 0.00 H new ATOM 0 HA LEU B 11 0.634 2.777 -6.312 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.107 3.606 -5.067 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.784 3.858 -6.664 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.658 1.335 -6.302 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.276 0.999 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.509 1.094 -4.123 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.414 2.491 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.750 2.336 -5.453 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.863 3.812 -5.002 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -4.024 3.359 -6.716 1.00 0.00 H new ATOM 483 N VAL B 12 -1.037 -0.034 -6.607 1.00 0.00 N ATOM 484 CA VAL B 12 -1.016 -1.439 -6.109 1.00 0.00 C ATOM 485 C VAL B 12 0.174 -2.161 -6.718 1.00 0.00 C ATOM 486 O VAL B 12 0.774 -2.999 -6.091 1.00 0.00 O ATOM 487 CB VAL B 12 -2.305 -2.194 -6.451 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.182 -2.261 -5.210 1.00 0.00 C ATOM 489 CG2 VAL B 12 -3.076 -1.480 -7.552 1.00 0.00 C ATOM 0 H VAL B 12 -1.665 0.148 -7.390 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.934 -1.410 -5.022 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.041 -3.194 -6.795 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.102 -2.797 -5.443 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.649 -2.784 -4.416 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.424 -1.251 -4.880 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.987 -2.035 -7.777 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.336 -0.475 -7.221 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.458 -1.418 -8.448 1.00 0.00 H new ATOM 499 N GLU B 13 0.546 -1.827 -7.923 1.00 0.00 N ATOM 500 CA GLU B 13 1.731 -2.498 -8.524 1.00 0.00 C ATOM 501 C GLU B 13 2.834 -2.463 -7.474 1.00 0.00 C ATOM 502 O GLU B 13 3.652 -3.356 -7.364 1.00 0.00 O ATOM 503 CB GLU B 13 2.178 -1.751 -9.780 1.00 0.00 C ATOM 504 CG GLU B 13 1.763 -2.542 -11.021 1.00 0.00 C ATOM 505 CD GLU B 13 3.009 -3.084 -11.721 1.00 0.00 C ATOM 506 OE1 GLU B 13 3.611 -4.004 -11.191 1.00 0.00 O ATOM 507 OE2 GLU B 13 3.345 -2.567 -12.775 1.00 0.00 O ATOM 0 H GLU B 13 0.088 -1.129 -8.509 1.00 0.00 H new ATOM 0 HA GLU B 13 1.496 -3.523 -8.813 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.731 -0.757 -9.803 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.259 -1.614 -9.768 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.105 -3.364 -10.738 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.200 -1.903 -11.701 1.00 0.00 H new ATOM 514 N ALA B 14 2.812 -1.440 -6.662 1.00 0.00 N ATOM 515 CA ALA B 14 3.801 -1.332 -5.565 1.00 0.00 C ATOM 516 C ALA B 14 3.401 -2.353 -4.505 1.00 0.00 C ATOM 517 O ALA B 14 4.212 -3.117 -4.021 1.00 0.00 O ATOM 518 CB ALA B 14 3.758 0.081 -4.981 1.00 0.00 C ATOM 0 H ALA B 14 2.144 -0.671 -6.717 1.00 0.00 H new ATOM 0 HA ALA B 14 4.814 -1.524 -5.920 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.485 0.163 -4.173 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.998 0.804 -5.760 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.760 0.284 -4.593 1.00 0.00 H new ATOM 524 N LEU B 15 2.134 -2.400 -4.172 1.00 0.00 N ATOM 525 CA LEU B 15 1.667 -3.408 -3.179 1.00 0.00 C ATOM 526 C LEU B 15 1.887 -4.791 -3.785 1.00 0.00 C ATOM 527 O LEU B 15 2.487 -5.665 -3.191 1.00 0.00 O ATOM 528 CB LEU B 15 0.176 -3.210 -2.910 1.00 0.00 C ATOM 529 CG LEU B 15 -0.004 -2.330 -1.679 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.495 -2.093 -1.443 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.596 -3.032 -0.458 1.00 0.00 C ATOM 0 H LEU B 15 1.409 -1.786 -4.544 1.00 0.00 H new ATOM 0 HA LEU B 15 2.214 -3.302 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.302 -2.748 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.308 -4.174 -2.755 1.00 0.00 H new ATOM 0 HG LEU B 15 0.500 -1.376 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.629 -1.464 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.927 -1.597 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.995 -3.049 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.468 -2.403 0.423 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.090 -3.984 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.658 -3.209 -0.626 1.00 0.00 H new ATOM 543 N TYR B 16 1.411 -4.971 -4.984 1.00 0.00 N ATOM 544 CA TYR B 16 1.581 -6.263 -5.693 1.00 0.00 C ATOM 545 C TYR B 16 2.994 -6.783 -5.439 1.00 0.00 C ATOM 546 O TYR B 16 3.239 -7.973 -5.408 1.00 0.00 O ATOM 547 CB TYR B 16 1.381 -6.019 -7.191 1.00 0.00 C ATOM 548 CG TYR B 16 0.369 -6.991 -7.740 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.459 -8.349 -7.419 1.00 0.00 C ATOM 550 CD2 TYR B 16 -0.660 -6.531 -8.571 1.00 0.00 C ATOM 551 CE1 TYR B 16 -0.482 -9.253 -7.930 1.00 0.00 C ATOM 552 CE2 TYR B 16 -1.601 -7.434 -9.082 1.00 0.00 C ATOM 553 CZ TYR B 16 -1.514 -8.795 -8.761 1.00 0.00 C ATOM 554 OH TYR B 16 -2.441 -9.684 -9.263 1.00 0.00 O ATOM 0 H TYR B 16 0.902 -4.261 -5.511 1.00 0.00 H new ATOM 0 HA TYR B 16 0.858 -6.997 -5.337 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.044 -4.996 -7.360 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.329 -6.133 -7.716 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.253 -8.701 -6.778 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.728 -5.482 -8.817 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.412 -10.302 -7.684 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.394 -7.081 -9.724 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.088 -9.202 -9.819 1.00 0.00 H new ATOM 564 N LEU B 17 3.928 -5.891 -5.249 1.00 0.00 N ATOM 565 CA LEU B 17 5.326 -6.314 -4.987 1.00 0.00 C ATOM 566 C LEU B 17 5.532 -6.472 -3.480 1.00 0.00 C ATOM 567 O LEU B 17 6.164 -7.405 -3.025 1.00 0.00 O ATOM 568 CB LEU B 17 6.283 -5.252 -5.524 1.00 0.00 C ATOM 569 CG LEU B 17 7.715 -5.744 -5.351 1.00 0.00 C ATOM 570 CD1 LEU B 17 8.407 -5.792 -6.712 1.00 0.00 C ATOM 571 CD2 LEU B 17 8.470 -4.792 -4.423 1.00 0.00 C ATOM 0 H LEU B 17 3.778 -4.882 -5.265 1.00 0.00 H new ATOM 0 HA LEU B 17 5.522 -7.265 -5.483 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.076 -5.056 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.140 -4.312 -4.991 1.00 0.00 H new ATOM 0 HG LEU B 17 7.707 -6.744 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.431 -6.144 -6.587 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.867 -6.472 -7.371 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.417 -4.794 -7.150 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.495 -5.142 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.479 -3.792 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.976 -4.762 -3.452 1.00 0.00 H new ATOM 583 N VAL B 18 5.002 -5.571 -2.697 1.00 0.00 N ATOM 584 CA VAL B 18 5.168 -5.678 -1.220 1.00 0.00 C ATOM 585 C VAL B 18 4.887 -7.121 -0.795 1.00 0.00 C ATOM 586 O VAL B 18 5.635 -7.721 -0.050 1.00 0.00 O ATOM 587 CB VAL B 18 4.197 -4.707 -0.522 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.873 -5.401 -0.183 1.00 0.00 C ATOM 589 CG2 VAL B 18 4.842 -4.190 0.766 1.00 0.00 C ATOM 0 H VAL B 18 4.462 -4.767 -3.016 1.00 0.00 H new ATOM 0 HA VAL B 18 6.186 -5.413 -0.934 1.00 0.00 H new ATOM 0 HB VAL B 18 3.988 -3.879 -1.199 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.206 -4.693 0.309 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.406 -5.762 -1.100 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.063 -6.243 0.483 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.159 -3.502 1.264 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.058 -5.029 1.427 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.769 -3.670 0.525 1.00 0.00 H new ATOM 599 N CYS B 19 3.807 -7.676 -1.271 1.00 0.00 N ATOM 600 CA CYS B 19 3.462 -9.075 -0.910 1.00 0.00 C ATOM 601 C CYS B 19 4.218 -10.038 -1.825 1.00 0.00 C ATOM 602 O CYS B 19 5.142 -10.710 -1.409 1.00 0.00 O ATOM 603 CB CYS B 19 1.957 -9.280 -1.087 1.00 0.00 C ATOM 604 SG CYS B 19 1.079 -8.483 0.276 1.00 0.00 S ATOM 0 H CYS B 19 3.147 -7.216 -1.898 1.00 0.00 H new ATOM 0 HA CYS B 19 3.740 -9.267 0.126 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.631 -8.861 -2.039 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.724 -10.345 -1.111 1.00 0.00 H new HETATM 609 N DAL B 20 3.841 -10.105 -3.071 1.00 0.00 N HETATM 610 CA DAL B 20 4.542 -11.018 -4.017 1.00 0.00 C HETATM 611 CB DAL B 20 3.952 -10.846 -5.419 1.00 0.00 C HETATM 612 C DAL B 20 4.379 -12.472 -3.559 1.00 0.00 C HETATM 613 O DAL B 20 5.108 -12.948 -2.710 1.00 0.00 O HETATM 0 HB3 DAL B 20 2.889 -11.088 -5.399 1.00 0.00 H new HETATM 0 HB2 DAL B 20 4.083 -9.814 -5.745 1.00 0.00 H new HETATM 0 HB1 DAL B 20 4.463 -11.513 -6.113 1.00 0.00 H new HETATM 0 HA DAL B 20 5.604 -10.772 -4.037 1.00 0.00 H new HETATM 0 H DAL B 20 3.094 -9.497 -3.408 1.00 0.00 H new ATOM 619 N GLU B 21 3.437 -13.180 -4.123 1.00 0.00 N ATOM 620 CA GLU B 21 3.226 -14.607 -3.738 1.00 0.00 C ATOM 621 C GLU B 21 2.423 -14.696 -2.438 1.00 0.00 C ATOM 622 O GLU B 21 2.680 -15.532 -1.595 1.00 0.00 O ATOM 623 CB GLU B 21 4.577 -15.298 -3.550 1.00 0.00 C ATOM 624 CG GLU B 21 4.497 -16.730 -4.084 1.00 0.00 C ATOM 625 CD GLU B 21 5.437 -16.881 -5.282 1.00 0.00 C ATOM 626 OE1 GLU B 21 6.632 -16.720 -5.096 1.00 0.00 O ATOM 627 OE2 GLU B 21 4.945 -17.155 -6.365 1.00 0.00 O ATOM 0 H GLU B 21 2.800 -12.829 -4.839 1.00 0.00 H new ATOM 0 HA GLU B 21 2.669 -15.103 -4.533 1.00 0.00 H new ATOM 0 HB2 GLU B 21 5.356 -14.746 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.849 -15.307 -2.495 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.772 -17.437 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.474 -16.963 -4.379 1.00 0.00 H new ATOM 634 N ARG B 22 1.443 -13.853 -2.276 1.00 0.00 N ATOM 635 CA ARG B 22 0.612 -13.902 -1.039 1.00 0.00 C ATOM 636 C ARG B 22 -0.822 -13.509 -1.394 1.00 0.00 C ATOM 637 O ARG B 22 -1.768 -14.187 -1.046 1.00 0.00 O ATOM 638 CB ARG B 22 1.172 -12.929 0.001 1.00 0.00 C ATOM 639 CG ARG B 22 2.354 -13.577 0.726 1.00 0.00 C ATOM 640 CD ARG B 22 1.842 -14.380 1.925 1.00 0.00 C ATOM 641 NE ARG B 22 2.807 -15.471 2.239 1.00 0.00 N ATOM 642 CZ ARG B 22 3.474 -15.448 3.361 1.00 0.00 C ATOM 643 NH1 ARG B 22 4.630 -14.846 3.422 1.00 0.00 N ATOM 644 NH2 ARG B 22 2.984 -16.027 4.423 1.00 0.00 N ATOM 0 H ARG B 22 1.180 -13.131 -2.947 1.00 0.00 H new ATOM 0 HA ARG B 22 0.628 -14.909 -0.623 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.491 -12.007 -0.484 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.396 -12.660 0.718 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.899 -14.230 0.044 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.053 -12.811 1.060 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.721 -13.727 2.789 1.00 0.00 H new ATOM 0 HD3 ARG B 22 0.861 -14.800 1.703 1.00 0.00 H new ATOM 0 HE ARG B 22 2.946 -16.235 1.578 1.00 0.00 H new ATOM 0 HH11 ARG B 22 5.013 -14.393 2.593 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.150 -14.829 4.299 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.080 -16.497 4.376 1.00 0.00 H new ATOM 0 HH22 ARG B 22 3.505 -16.009 5.300 1.00 0.00 H new HETATM 658 N DAL B 23 -0.989 -12.424 -2.101 1.00 0.00 N HETATM 659 CA DAL B 23 -2.360 -11.993 -2.495 1.00 0.00 C HETATM 660 CB DAL B 23 -2.371 -11.653 -3.987 1.00 0.00 C HETATM 661 C DAL B 23 -2.776 -10.756 -1.695 1.00 0.00 C HETATM 662 O DAL B 23 -3.754 -10.770 -0.976 1.00 0.00 O HETATM 0 HB3 DAL B 23 -1.664 -10.846 -4.182 1.00 0.00 H new HETATM 0 HB2 DAL B 23 -2.085 -12.533 -4.563 1.00 0.00 H new HETATM 0 HB1 DAL B 23 -3.372 -11.337 -4.281 1.00 0.00 H new HETATM 0 HA DAL B 23 -3.060 -12.803 -2.290 1.00 0.00 H new HETATM 0 H DAL B 23 -0.244 -12.453 -2.797 1.00 0.00 H new ATOM 668 N PHE B 24 -2.049 -9.681 -1.827 1.00 0.00 N ATOM 669 CA PHE B 24 -2.413 -8.440 -1.085 1.00 0.00 C ATOM 670 C PHE B 24 -3.854 -8.054 -1.444 1.00 0.00 C ATOM 671 O PHE B 24 -4.520 -8.744 -2.191 1.00 0.00 O ATOM 672 CB PHE B 24 -1.459 -7.309 -1.493 1.00 0.00 C ATOM 673 CG PHE B 24 -1.867 -6.767 -2.844 1.00 0.00 C ATOM 674 CD1 PHE B 24 -1.347 -7.334 -4.014 1.00 0.00 C ATOM 675 CD2 PHE B 24 -2.779 -5.706 -2.924 1.00 0.00 C ATOM 676 CE1 PHE B 24 -1.741 -6.841 -5.265 1.00 0.00 C ATOM 677 CE2 PHE B 24 -3.170 -5.212 -4.175 1.00 0.00 C ATOM 678 CZ PHE B 24 -2.652 -5.780 -5.344 1.00 0.00 C ATOM 0 H PHE B 24 -1.219 -9.608 -2.416 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.334 -8.608 -0.011 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.482 -6.513 -0.748 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.435 -7.679 -1.532 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.643 -8.151 -3.952 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.180 -5.269 -2.021 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -1.342 -7.279 -6.168 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.871 -4.393 -4.237 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.955 -5.400 -6.308 1.00 0.00 H new ATOM 688 N PHE B 25 -4.339 -6.955 -0.932 1.00 0.00 N ATOM 689 CA PHE B 25 -5.728 -6.536 -1.265 1.00 0.00 C ATOM 690 C PHE B 25 -5.835 -5.010 -1.208 1.00 0.00 C ATOM 691 O PHE B 25 -5.588 -4.399 -0.187 1.00 0.00 O ATOM 692 CB PHE B 25 -6.704 -7.164 -0.270 1.00 0.00 C ATOM 693 CG PHE B 25 -6.622 -6.451 1.058 1.00 0.00 C ATOM 694 CD1 PHE B 25 -5.630 -6.803 1.983 1.00 0.00 C ATOM 695 CD2 PHE B 25 -7.538 -5.438 1.367 1.00 0.00 C ATOM 696 CE1 PHE B 25 -5.555 -6.141 3.216 1.00 0.00 C ATOM 697 CE2 PHE B 25 -7.464 -4.776 2.601 1.00 0.00 C ATOM 698 CZ PHE B 25 -6.471 -5.128 3.525 1.00 0.00 C ATOM 0 H PHE B 25 -3.835 -6.333 -0.300 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.976 -6.872 -2.272 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.720 -7.107 -0.660 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.472 -8.221 -0.139 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -4.923 -7.584 1.746 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.302 -5.166 0.654 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -4.790 -6.412 3.928 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.172 -3.996 2.839 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.412 -4.618 4.475 1.00 0.00 H new ATOM 708 N TYR B 26 -6.206 -4.392 -2.296 1.00 0.00 N ATOM 709 CA TYR B 26 -6.332 -2.906 -2.305 1.00 0.00 C ATOM 710 C TYR B 26 -7.790 -2.518 -2.546 1.00 0.00 C ATOM 711 O TYR B 26 -8.427 -2.994 -3.464 1.00 0.00 O ATOM 712 CB TYR B 26 -5.460 -2.321 -3.411 1.00 0.00 C ATOM 713 CG TYR B 26 -5.215 -0.861 -3.123 1.00 0.00 C ATOM 714 CD1 TYR B 26 -4.260 -0.488 -2.168 1.00 0.00 C ATOM 715 CD2 TYR B 26 -5.946 0.122 -3.803 1.00 0.00 C ATOM 716 CE1 TYR B 26 -4.036 0.867 -1.893 1.00 0.00 C ATOM 717 CE2 TYR B 26 -5.720 1.478 -3.531 1.00 0.00 C ATOM 718 CZ TYR B 26 -4.764 1.850 -2.575 1.00 0.00 C ATOM 719 OH TYR B 26 -4.542 3.186 -2.304 1.00 0.00 O ATOM 0 H TYR B 26 -6.427 -4.852 -3.179 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.005 -2.512 -1.343 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.513 -2.858 -3.467 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.950 -2.437 -4.378 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -3.696 -1.246 -1.644 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.684 -0.165 -4.537 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.302 1.154 -1.155 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.282 2.236 -4.057 1.00 0.00 H new ATOM 0 HH TYR B 26 -4.125 3.276 -1.422 1.00 0.00 H new ATOM 729 N THR B 27 -8.323 -1.655 -1.727 1.00 0.00 N ATOM 730 CA THR B 27 -9.739 -1.232 -1.909 1.00 0.00 C ATOM 731 C THR B 27 -9.778 0.214 -2.400 1.00 0.00 C ATOM 732 O THR B 27 -8.838 0.705 -2.991 1.00 0.00 O ATOM 733 CB THR B 27 -10.480 -1.340 -0.575 1.00 0.00 C ATOM 734 OG1 THR B 27 -11.822 -0.908 -0.745 1.00 0.00 O ATOM 735 CG2 THR B 27 -9.784 -0.460 0.462 1.00 0.00 C ATOM 0 H THR B 27 -7.839 -1.224 -0.939 1.00 0.00 H new ATOM 0 HA THR B 27 -10.220 -1.878 -2.643 1.00 0.00 H new ATOM 0 HB THR B 27 -10.474 -2.375 -0.234 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.299 -0.978 0.108 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.310 -0.535 1.414 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.754 -0.793 0.589 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.791 0.576 0.124 1.00 0.00 H new ATOM 743 N LYS B 28 -10.861 0.903 -2.159 1.00 0.00 N ATOM 744 CA LYS B 28 -10.956 2.318 -2.611 1.00 0.00 C ATOM 745 C LYS B 28 -12.240 2.943 -2.051 1.00 0.00 C ATOM 746 O LYS B 28 -13.305 2.370 -2.175 1.00 0.00 O ATOM 747 CB LYS B 28 -10.995 2.361 -4.142 1.00 0.00 C ATOM 748 CG LYS B 28 -11.418 3.756 -4.606 1.00 0.00 C ATOM 749 CD LYS B 28 -10.584 4.168 -5.819 1.00 0.00 C ATOM 750 CE LYS B 28 -10.219 5.650 -5.708 1.00 0.00 C ATOM 751 NZ LYS B 28 -9.514 6.083 -6.948 1.00 0.00 N ATOM 0 H LYS B 28 -11.682 0.547 -1.669 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.091 2.876 -2.253 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.014 2.114 -4.548 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.693 1.614 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.477 3.759 -4.862 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.283 4.475 -3.798 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.679 3.563 -5.874 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.144 3.988 -6.737 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.119 6.247 -5.561 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.582 5.814 -4.839 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.266 7.090 -6.873 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.647 5.521 -7.069 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.136 5.940 -7.769 1.00 0.00 H new ATOM 765 N PRO B 29 -12.107 4.101 -1.452 1.00 0.00 N ATOM 766 CA PRO B 29 -13.251 4.823 -0.868 1.00 0.00 C ATOM 767 C PRO B 29 -14.051 5.523 -1.969 1.00 0.00 C ATOM 768 O PRO B 29 -14.008 5.137 -3.121 1.00 0.00 O ATOM 769 CB PRO B 29 -12.590 5.844 0.063 1.00 0.00 C ATOM 770 CG PRO B 29 -11.151 6.042 -0.459 1.00 0.00 C ATOM 771 CD PRO B 29 -10.812 4.797 -1.301 1.00 0.00 C ATOM 0 HA PRO B 29 -13.954 4.173 -0.347 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -13.138 6.786 0.058 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.584 5.484 1.092 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -11.079 6.948 -1.061 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.450 6.152 0.369 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.392 5.072 -2.268 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.076 4.166 -0.802 1.00 0.00 H new ATOM 779 N THR B 30 -14.781 6.547 -1.627 1.00 0.00 N ATOM 780 CA THR B 30 -15.581 7.268 -2.657 1.00 0.00 C ATOM 781 C THR B 30 -14.683 8.265 -3.392 1.00 0.00 C ATOM 782 O THR B 30 -13.560 8.456 -2.955 1.00 0.00 O ATOM 783 CB THR B 30 -16.729 8.019 -1.977 1.00 0.00 C ATOM 784 OG1 THR B 30 -17.027 7.401 -0.734 1.00 0.00 O ATOM 785 CG2 THR B 30 -17.966 7.987 -2.877 1.00 0.00 C ATOM 786 OXT THR B 30 -15.133 8.819 -4.382 1.00 0.00 O ATOM 0 H THR B 30 -14.859 6.916 -0.679 1.00 0.00 H new ATOM 0 HA THR B 30 -15.988 6.551 -3.370 1.00 0.00 H new ATOM 0 HB THR B 30 -16.435 9.055 -1.805 1.00 0.00 H new ATOM 0 HG1 THR B 30 -17.761 7.882 -0.297 1.00 0.00 H new ATOM 0 HG21 THR B 30 -18.783 8.522 -2.392 1.00 0.00 H new ATOM 0 HG22 THR B 30 -17.735 8.464 -3.830 1.00 0.00 H new ATOM 0 HG23 THR B 30 -18.263 6.953 -3.051 1.00 0.00 H new TER 794 THR B 30