USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 389 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 4 GLN : amide:sc= 0.851 K(o=1.8,f=-1.8) USER MOD Set 1.2: B 10 HIS : no HE2:sc= 0.987 K(o=1.8,f=-5.5!) USER MOD Set 2.1: A 5 GLN : amide:sc= 0.426 X(o=0.81,f=0.56) USER MOD Set 2.2: A 15 GLN : amide:sc= 0.388 X(o=0.81,f=0.56) USER MOD Single : A 1 GLY N :NH3+ -171:sc= 0.55 (180deg=0.497) USER MOD Single : A 8 THR OG1 : rot -34:sc= 0.0227 USER MOD Single : A 9 SER OG : rot 180:sc= 0.21 USER MOD Single : A 12 SER OG : rot -160:sc= -0.0713 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.545 K(o=0.54,f=0) USER MOD Single : A 19 TYR OH : rot 21:sc= 0.639 USER MOD Single : A 21 ASN : amide:sc=-0.00323 X(o=-0.0032,f=-0.25) USER MOD Single : B 1 PHE N :NH3+ 140:sc= 0.0638 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0956 X(o=-0.096,f=-0.062) USER MOD Single : B 5 HIS : no HD1:sc= -3.1! C(o=-3.1!,f=-7.4!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0449 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -58:sc= 0.372 USER MOD Single : B 29 LYS NZ :NH3+ 162:sc= -0.0287 (180deg=-0.306) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0761 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.695 0.863 -0.574 1.00 25.00 N ATOM 2 CA GLY A 1 2.209 2.141 -1.146 1.00 25.00 C ATOM 3 C GLY A 1 1.586 1.942 -2.502 1.00 25.00 C ATOM 4 O GLY A 1 1.702 0.864 -3.071 1.00 25.00 O ATOM 0 H1 GLY A 1 2.977 1.011 0.416 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.936 0.153 -0.615 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.513 0.527 -1.121 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.478 2.587 -0.472 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.039 2.843 -1.226 1.00 25.00 H new ATOM 10 N ILE A 2 0.921 2.963 -3.028 1.00 25.00 N ATOM 11 CA ILE A 2 0.223 2.862 -4.316 1.00 25.00 C ATOM 12 C ILE A 2 1.175 2.579 -5.493 1.00 25.00 C ATOM 13 O ILE A 2 0.809 1.893 -6.444 1.00 25.00 O ATOM 14 CB ILE A 2 -0.626 4.151 -4.559 1.00 25.00 C ATOM 15 CG1 ILE A 2 -1.578 3.932 -5.747 1.00 25.00 C ATOM 16 CG2 ILE A 2 0.284 5.409 -4.730 1.00 25.00 C ATOM 17 CD1 ILE A 2 -2.623 5.027 -5.921 1.00 25.00 C ATOM 0 H ILE A 2 0.847 3.878 -2.584 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.444 2.001 -4.264 1.00 25.00 H new ATOM 0 HB ILE A 2 -1.240 4.347 -3.680 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.989 3.859 -6.661 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -2.087 2.977 -5.619 1.00 25.00 H new ATOM 0 HG21 ILE A 2 -0.338 6.288 -4.897 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.880 5.552 -3.829 1.00 25.00 H new ATOM 0 HG23 ILE A 2 0.946 5.266 -5.584 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -3.253 4.796 -6.780 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -3.240 5.087 -5.024 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -2.125 5.983 -6.083 1.00 25.00 H new ATOM 29 N VAL A 3 2.418 3.030 -5.391 1.00 25.00 N ATOM 30 CA VAL A 3 3.407 2.790 -6.445 1.00 25.00 C ATOM 31 C VAL A 3 3.624 1.293 -6.643 1.00 25.00 C ATOM 32 O VAL A 3 3.715 0.816 -7.765 1.00 25.00 O ATOM 33 CB VAL A 3 4.761 3.488 -6.117 1.00 25.00 C ATOM 34 CG1 VAL A 3 5.783 3.263 -7.242 1.00 25.00 C ATOM 35 CG2 VAL A 3 4.541 4.997 -5.918 1.00 25.00 C ATOM 0 H VAL A 3 2.769 3.562 -4.595 1.00 25.00 H new ATOM 0 HA VAL A 3 3.019 3.217 -7.370 1.00 25.00 H new ATOM 0 HB VAL A 3 5.153 3.051 -5.198 1.00 25.00 H new ATOM 0 HG11 VAL A 3 6.719 3.760 -6.988 1.00 25.00 H new ATOM 0 HG12 VAL A 3 5.961 2.195 -7.363 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.395 3.674 -8.174 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.493 5.476 -5.689 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.128 5.428 -6.830 1.00 25.00 H new ATOM 0 HG23 VAL A 3 3.846 5.158 -5.094 1.00 25.00 H new ATOM 45 N GLU A 4 3.660 0.536 -5.554 1.00 25.00 N ATOM 46 CA GLU A 4 3.871 -0.906 -5.654 1.00 25.00 C ATOM 47 C GLU A 4 2.747 -1.578 -6.421 1.00 25.00 C ATOM 48 O GLU A 4 3.010 -2.444 -7.240 1.00 25.00 O ATOM 49 CB GLU A 4 3.976 -1.547 -4.271 1.00 25.00 C ATOM 50 CG GLU A 4 5.337 -1.374 -3.632 1.00 25.00 C ATOM 51 CD GLU A 4 5.615 0.050 -3.236 1.00 25.00 C ATOM 52 OE1 GLU A 4 4.847 0.728 -2.586 1.00 25.00 O ATOM 53 OE2 GLU A 4 6.739 0.502 -3.691 1.00 25.00 O ATOM 0 H GLU A 4 3.548 0.888 -4.603 1.00 25.00 H new ATOM 0 HA GLU A 4 4.808 -1.049 -6.192 1.00 25.00 H new ATOM 0 HB2 GLU A 4 3.218 -1.113 -3.619 1.00 25.00 H new ATOM 0 HB3 GLU A 4 3.754 -2.611 -4.354 1.00 25.00 H new ATOM 0 HG2 GLU A 4 5.404 -2.012 -2.751 1.00 25.00 H new ATOM 0 HG3 GLU A 4 6.106 -1.710 -4.328 1.00 25.00 H new ATOM 61 N GLN A 5 1.511 -1.166 -6.173 1.00 25.00 N ATOM 62 CA GLN A 5 0.360 -1.762 -6.850 1.00 25.00 C ATOM 63 C GLN A 5 0.498 -1.612 -8.362 1.00 25.00 C ATOM 64 O GLN A 5 0.207 -2.535 -9.114 1.00 25.00 O ATOM 65 CB GLN A 5 -0.942 -1.092 -6.385 1.00 25.00 C ATOM 66 CG GLN A 5 -2.209 -1.774 -6.912 1.00 25.00 C ATOM 67 CD GLN A 5 -3.478 -1.081 -6.457 1.00 25.00 C ATOM 68 OE1 GLN A 5 -3.685 0.097 -6.711 1.00 25.00 O ATOM 69 NE2 GLN A 5 -4.338 -1.810 -5.793 1.00 25.00 N ATOM 0 H GLN A 5 1.277 -0.425 -5.512 1.00 25.00 H new ATOM 0 HA GLN A 5 0.326 -2.822 -6.596 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.969 -1.088 -5.295 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -0.940 -0.051 -6.708 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -2.180 -1.793 -8.001 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.225 -2.811 -6.576 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -4.133 -2.790 -5.599 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -5.213 -1.398 -5.470 1.00 25.00 H new ATOM 78 N CYS A 6 0.962 -0.451 -8.801 1.00 25.00 N ATOM 79 CA CYS A 6 1.076 -0.187 -10.230 1.00 25.00 C ATOM 80 C CYS A 6 2.320 -0.822 -10.840 1.00 25.00 C ATOM 81 O CYS A 6 2.313 -1.201 -12.003 1.00 25.00 O ATOM 82 CB CYS A 6 1.072 1.321 -10.486 1.00 25.00 C ATOM 83 SG CYS A 6 -0.365 2.199 -9.770 1.00 25.00 S ATOM 0 H CYS A 6 1.262 0.315 -8.198 1.00 25.00 H new ATOM 0 HA CYS A 6 0.213 -0.643 -10.715 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.987 1.750 -10.077 1.00 25.00 H new ATOM 0 HB3 CYS A 6 1.091 1.496 -11.562 1.00 25.00 H new ATOM 88 N CYS A 7 3.380 -0.949 -10.063 1.00 25.00 N ATOM 89 CA CYS A 7 4.600 -1.567 -10.567 1.00 25.00 C ATOM 90 C CYS A 7 4.452 -3.084 -10.700 1.00 25.00 C ATOM 91 O CYS A 7 4.834 -3.655 -11.716 1.00 25.00 O ATOM 92 CB CYS A 7 5.782 -1.257 -9.644 1.00 25.00 C ATOM 93 SG CYS A 7 6.294 0.493 -9.690 1.00 25.00 S ATOM 0 H CYS A 7 3.425 -0.638 -9.093 1.00 25.00 H new ATOM 0 HA CYS A 7 4.786 -1.148 -11.556 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.515 -1.523 -8.621 1.00 25.00 H new ATOM 0 HB3 CYS A 7 6.628 -1.883 -9.926 1.00 25.00 H new ATOM 98 N THR A 8 3.938 -3.740 -9.666 1.00 25.00 N ATOM 99 CA THR A 8 3.874 -5.207 -9.652 1.00 25.00 C ATOM 100 C THR A 8 2.599 -5.759 -10.286 1.00 25.00 C ATOM 101 O THR A 8 2.541 -6.931 -10.652 1.00 25.00 O ATOM 102 CB THR A 8 4.035 -5.769 -8.208 1.00 25.00 C ATOM 103 OG1 THR A 8 4.426 -7.142 -8.275 1.00 25.00 O ATOM 104 CG2 THR A 8 2.748 -5.683 -7.395 1.00 25.00 C ATOM 0 H THR A 8 3.562 -3.290 -8.832 1.00 25.00 H new ATOM 0 HA THR A 8 4.711 -5.544 -10.263 1.00 25.00 H new ATOM 0 HB THR A 8 4.791 -5.159 -7.714 1.00 25.00 H new ATOM 0 HG1 THR A 8 4.007 -7.564 -9.054 1.00 25.00 H new ATOM 0 HG21 THR A 8 2.920 -6.089 -6.398 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.438 -4.641 -7.314 1.00 25.00 H new ATOM 0 HG23 THR A 8 1.965 -6.257 -7.891 1.00 25.00 H new ATOM 112 N SER A 9 1.581 -4.925 -10.435 1.00 25.00 N ATOM 113 CA SER A 9 0.328 -5.356 -11.042 1.00 25.00 C ATOM 114 C SER A 9 -0.224 -4.212 -11.879 1.00 25.00 C ATOM 115 O SER A 9 0.523 -3.324 -12.246 1.00 25.00 O ATOM 116 CB SER A 9 -0.669 -5.812 -9.973 1.00 25.00 C ATOM 117 OG SER A 9 -1.746 -6.530 -10.559 1.00 25.00 O ATOM 0 H SER A 9 1.596 -3.947 -10.145 1.00 25.00 H new ATOM 0 HA SER A 9 0.505 -6.215 -11.689 1.00 25.00 H new ATOM 0 HB2 SER A 9 -0.162 -6.441 -9.242 1.00 25.00 H new ATOM 0 HB3 SER A 9 -1.054 -4.945 -9.435 1.00 25.00 H new ATOM 0 HG SER A 9 -2.370 -6.813 -9.858 1.00 25.00 H new ATOM 123 N ILE A 10 -1.461 -4.311 -12.330 1.00 25.00 N ATOM 124 CA ILE A 10 -1.979 -3.369 -13.322 1.00 25.00 C ATOM 125 C ILE A 10 -2.969 -2.403 -12.694 1.00 25.00 C ATOM 126 O ILE A 10 -4.109 -2.752 -12.401 1.00 25.00 O ATOM 127 CB ILE A 10 -2.593 -4.120 -14.533 1.00 25.00 C ATOM 128 CG1 ILE A 10 -1.505 -5.057 -15.100 1.00 25.00 C ATOM 129 CG2 ILE A 10 -3.088 -3.115 -15.599 1.00 25.00 C ATOM 130 CD1 ILE A 10 -1.815 -5.781 -16.376 1.00 25.00 C ATOM 0 H ILE A 10 -2.126 -5.025 -12.032 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.144 -2.777 -13.697 1.00 25.00 H new ATOM 0 HB ILE A 10 -3.460 -4.705 -14.226 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -0.602 -4.468 -15.258 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -1.271 -5.801 -14.339 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -3.516 -3.659 -16.441 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -3.848 -2.466 -15.163 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -2.250 -2.510 -15.946 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -0.965 -6.402 -16.658 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -2.693 -6.411 -16.233 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -2.013 -5.057 -17.166 1.00 25.00 H new ATOM 142 N CYS A 11 -2.521 -1.172 -12.501 1.00 25.00 N ATOM 143 CA CYS A 11 -3.394 -0.120 -12.008 1.00 25.00 C ATOM 144 C CYS A 11 -4.325 0.302 -13.131 1.00 25.00 C ATOM 145 O CYS A 11 -3.882 0.730 -14.197 1.00 25.00 O ATOM 146 CB CYS A 11 -2.583 1.091 -11.542 1.00 25.00 C ATOM 147 SG CYS A 11 -1.910 0.879 -9.868 1.00 25.00 S ATOM 0 H CYS A 11 -1.560 -0.878 -12.678 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.962 -0.499 -11.158 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -1.764 1.265 -12.240 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.216 1.978 -11.566 1.00 25.00 H new ATOM 152 N SER A 12 -5.618 0.199 -12.879 1.00 25.00 N ATOM 153 CA SER A 12 -6.618 0.680 -13.818 1.00 25.00 C ATOM 154 C SER A 12 -6.635 2.196 -13.695 1.00 25.00 C ATOM 155 O SER A 12 -6.064 2.750 -12.755 1.00 25.00 O ATOM 156 CB SER A 12 -7.985 0.105 -13.460 1.00 25.00 C ATOM 157 OG SER A 12 -8.355 0.519 -12.155 1.00 25.00 O ATOM 0 H SER A 12 -6.002 -0.215 -12.029 1.00 25.00 H new ATOM 0 HA SER A 12 -6.385 0.374 -14.838 1.00 25.00 H new ATOM 0 HB2 SER A 12 -8.730 0.439 -14.182 1.00 25.00 H new ATOM 0 HB3 SER A 12 -7.956 -0.983 -13.511 1.00 25.00 H new ATOM 0 HG SER A 12 -9.047 -0.080 -11.806 1.00 25.00 H new ATOM 163 N LEU A 13 -7.325 2.873 -14.602 1.00 25.00 N ATOM 164 CA LEU A 13 -7.415 4.333 -14.551 1.00 25.00 C ATOM 165 C LEU A 13 -8.029 4.811 -13.230 1.00 25.00 C ATOM 166 O LEU A 13 -7.710 5.888 -12.753 1.00 25.00 O ATOM 167 CB LEU A 13 -8.208 4.863 -15.756 1.00 25.00 C ATOM 168 CG LEU A 13 -9.710 4.528 -15.827 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.555 5.672 -15.267 1.00 25.00 C ATOM 170 CD2 LEU A 13 -10.109 4.254 -17.274 1.00 25.00 C ATOM 0 H LEU A 13 -7.828 2.443 -15.378 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.404 4.736 -14.602 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -8.105 5.948 -15.775 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.736 4.482 -16.662 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.891 3.640 -15.222 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.611 5.409 -15.329 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.286 5.847 -14.225 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.372 6.577 -15.846 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -11.172 4.017 -17.320 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.907 5.137 -17.880 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.533 3.412 -17.657 1.00 25.00 H new ATOM 182 N TYR A 14 -8.870 3.988 -12.619 1.00 25.00 N ATOM 183 CA TYR A 14 -9.500 4.338 -11.350 1.00 25.00 C ATOM 184 C TYR A 14 -8.466 4.397 -10.226 1.00 25.00 C ATOM 185 O TYR A 14 -8.505 5.281 -9.383 1.00 25.00 O ATOM 186 CB TYR A 14 -10.572 3.304 -11.010 1.00 25.00 C ATOM 187 CG TYR A 14 -11.473 2.982 -12.181 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.381 3.936 -12.684 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.420 1.717 -12.801 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.217 3.633 -13.794 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.254 1.411 -13.912 1.00 25.00 C ATOM 192 CZ TYR A 14 -13.139 2.377 -14.398 1.00 25.00 C ATOM 193 OH TYR A 14 -13.938 2.095 -15.474 1.00 25.00 O ATOM 0 H TYR A 14 -9.133 3.071 -12.981 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.956 5.323 -11.449 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.090 2.389 -10.666 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.178 3.675 -10.183 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.443 4.910 -12.220 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.736 0.969 -12.427 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.910 4.372 -14.168 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -12.203 0.438 -14.377 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.764 1.181 -15.780 1.00 25.00 H new ATOM 203 N GLN A 15 -7.513 3.476 -10.246 1.00 25.00 N ATOM 204 CA GLN A 15 -6.451 3.462 -9.242 1.00 25.00 C ATOM 205 C GLN A 15 -5.527 4.647 -9.477 1.00 25.00 C ATOM 206 O GLN A 15 -5.077 5.302 -8.544 1.00 25.00 O ATOM 207 CB GLN A 15 -5.641 2.163 -9.329 1.00 25.00 C ATOM 208 CG GLN A 15 -6.474 0.899 -9.155 1.00 25.00 C ATOM 209 CD GLN A 15 -7.265 0.895 -7.866 1.00 25.00 C ATOM 210 OE1 GLN A 15 -8.480 0.911 -7.885 1.00 25.00 O ATOM 211 NE2 GLN A 15 -6.585 0.875 -6.749 1.00 25.00 N ATOM 0 H GLN A 15 -7.450 2.732 -10.941 1.00 25.00 H new ATOM 0 HA GLN A 15 -6.902 3.526 -8.252 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.139 2.124 -10.296 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -4.863 2.181 -8.566 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.159 0.801 -9.997 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -5.817 0.030 -9.176 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -5.565 0.862 -6.773 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -7.074 0.872 -5.854 1.00 25.00 H new ATOM 220 N LEU A 16 -5.272 4.928 -10.745 1.00 25.00 N ATOM 221 CA LEU A 16 -4.405 6.030 -11.150 1.00 25.00 C ATOM 222 C LEU A 16 -4.940 7.400 -10.716 1.00 25.00 C ATOM 223 O LEU A 16 -4.158 8.271 -10.371 1.00 25.00 O ATOM 224 CB LEU A 16 -4.151 5.982 -12.659 1.00 25.00 C ATOM 225 CG LEU A 16 -3.280 4.793 -13.109 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.254 4.692 -14.625 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.846 4.915 -12.588 1.00 25.00 C ATOM 0 H LEU A 16 -5.660 4.399 -11.526 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.456 5.899 -10.631 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -5.109 5.935 -13.177 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.668 6.910 -12.966 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.727 3.892 -12.689 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.634 3.846 -14.923 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.268 4.547 -14.997 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.841 5.610 -15.044 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.262 4.059 -12.926 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.397 5.833 -12.968 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.856 4.941 -11.498 1.00 25.00 H new ATOM 239 N GLU A 17 -6.255 7.583 -10.715 1.00 25.00 N ATOM 240 CA GLU A 17 -6.867 8.851 -10.273 1.00 25.00 C ATOM 241 C GLU A 17 -6.386 9.308 -8.885 1.00 25.00 C ATOM 242 O GLU A 17 -6.294 10.491 -8.629 1.00 25.00 O ATOM 243 CB GLU A 17 -8.393 8.704 -10.219 1.00 25.00 C ATOM 244 CG GLU A 17 -9.090 8.750 -11.575 1.00 25.00 C ATOM 245 CD GLU A 17 -9.224 10.145 -12.111 1.00 25.00 C ATOM 246 OE1 GLU A 17 -9.387 11.116 -11.427 1.00 25.00 O ATOM 247 OE2 GLU A 17 -9.167 10.210 -13.399 1.00 25.00 O ATOM 0 H GLU A 17 -6.926 6.875 -11.013 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.562 9.602 -11.001 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.636 7.759 -9.734 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.798 9.498 -9.591 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.530 8.144 -12.287 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -10.080 8.303 -11.485 1.00 25.00 H new ATOM 255 N ASN A 18 -6.056 8.365 -8.012 1.00 25.00 N ATOM 256 CA ASN A 18 -5.585 8.674 -6.652 1.00 25.00 C ATOM 257 C ASN A 18 -4.290 9.503 -6.617 1.00 25.00 C ATOM 258 O ASN A 18 -4.004 10.170 -5.632 1.00 25.00 O ATOM 259 CB ASN A 18 -5.390 7.387 -5.854 1.00 25.00 C ATOM 260 CG ASN A 18 -6.690 6.697 -5.545 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.423 7.097 -4.665 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.979 5.652 -6.270 1.00 25.00 N ATOM 0 H ASN A 18 -6.104 7.367 -8.217 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.363 9.289 -6.199 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.747 6.709 -6.416 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -4.874 7.616 -4.922 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.847 5.141 -6.106 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.337 5.345 -7.001 1.00 25.00 H new ATOM 269 N TYR A 19 -3.470 9.387 -7.655 1.00 25.00 N ATOM 270 CA TYR A 19 -2.191 10.113 -7.733 1.00 25.00 C ATOM 271 C TYR A 19 -2.397 11.619 -7.973 1.00 25.00 C ATOM 272 O TYR A 19 -1.429 12.388 -8.005 1.00 25.00 O ATOM 273 CB TYR A 19 -1.374 9.557 -8.896 1.00 25.00 C ATOM 274 CG TYR A 19 -0.707 8.222 -8.649 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.398 7.012 -8.860 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.642 8.162 -8.242 1.00 25.00 C ATOM 277 CE1 TYR A 19 -0.748 5.766 -8.687 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.290 6.915 -8.066 1.00 25.00 C ATOM 279 CZ TYR A 19 0.588 5.733 -8.298 1.00 25.00 C ATOM 280 OH TYR A 19 1.213 4.527 -8.138 1.00 25.00 O ATOM 0 H TYR A 19 -3.663 8.795 -8.463 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.677 9.979 -6.781 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -2.028 9.461 -9.763 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.605 10.284 -9.156 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.436 7.035 -9.157 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.187 9.077 -8.063 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.287 4.845 -8.856 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.323 6.880 -7.754 1.00 25.00 H new ATOM 0 HH TYR A 19 0.725 3.837 -8.635 1.00 25.00 H new ATOM 290 N CYS A 20 -3.640 12.037 -8.173 1.00 25.00 N ATOM 291 CA CYS A 20 -3.975 13.425 -8.397 1.00 25.00 C ATOM 292 C CYS A 20 -5.306 13.766 -7.730 1.00 25.00 C ATOM 293 O CYS A 20 -5.920 12.946 -7.065 1.00 25.00 O ATOM 294 CB CYS A 20 -4.048 13.670 -9.894 1.00 25.00 C ATOM 295 SG CYS A 20 -5.050 12.493 -10.850 1.00 25.00 S ATOM 0 H CYS A 20 -4.446 11.412 -8.183 1.00 25.00 H new ATOM 0 HA CYS A 20 -3.210 14.066 -7.959 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -4.445 14.672 -10.059 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -3.034 13.660 -10.293 1.00 25.00 H new ATOM 300 N ASN A 21 -5.748 15.018 -7.893 1.00 25.00 N ATOM 301 CA ASN A 21 -7.030 15.477 -7.328 1.00 25.00 C ATOM 302 C ASN A 21 -7.845 16.283 -8.340 1.00 25.00 C ATOM 303 O ASN A 21 -8.836 15.846 -8.883 1.00 25.00 O ATOM 304 CB ASN A 21 -6.825 16.213 -5.986 1.00 25.00 C ATOM 305 CG ASN A 21 -8.147 16.606 -5.399 1.00 25.00 C ATOM 306 OD1 ASN A 21 -8.764 17.573 -5.758 1.00 25.00 O ATOM 307 ND2 ASN A 21 -8.613 15.825 -4.437 1.00 25.00 N ATOM 308 OXT ASN A 21 -7.318 17.428 -8.677 1.00 25.00 O ATOM 0 H ASN A 21 -5.240 15.735 -8.411 1.00 25.00 H new ATOM 0 HA ASN A 21 -7.628 14.594 -7.103 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -6.287 15.570 -5.289 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -6.210 17.100 -6.140 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -9.505 16.041 -3.992 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -8.080 15.007 -4.141 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -8.273 2.298 -22.994 1.00 25.00 N ATOM 318 CA PHE B 1 -7.054 2.152 -22.148 1.00 25.00 C ATOM 319 C PHE B 1 -6.397 0.813 -22.425 1.00 25.00 C ATOM 320 O PHE B 1 -7.092 -0.138 -22.735 1.00 25.00 O ATOM 321 CB PHE B 1 -7.443 2.255 -20.667 1.00 25.00 C ATOM 322 CG PHE B 1 -6.284 2.558 -19.751 1.00 25.00 C ATOM 323 CD1 PHE B 1 -5.893 3.890 -19.515 1.00 25.00 C ATOM 324 CD2 PHE B 1 -5.591 1.516 -19.100 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.810 4.186 -18.647 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.506 1.802 -18.230 1.00 25.00 C ATOM 327 CZ PHE B 1 -4.114 3.138 -18.010 1.00 25.00 C ATOM 0 H1 PHE B 1 -9.030 2.745 -22.438 1.00 25.00 H new ATOM 0 H2 PHE B 1 -8.053 2.891 -23.820 1.00 25.00 H new ATOM 0 H3 PHE B 1 -8.587 1.360 -23.315 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.347 2.947 -22.386 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.197 3.034 -20.553 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -7.904 1.317 -20.356 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -6.424 4.696 -20.000 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -5.889 0.491 -19.265 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.519 5.212 -18.475 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -3.982 0.997 -17.737 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.283 3.358 -17.356 1.00 25.00 H new ATOM 339 N VAL B 2 -5.074 0.736 -22.347 1.00 25.00 N ATOM 340 CA VAL B 2 -4.351 -0.513 -22.617 1.00 25.00 C ATOM 341 C VAL B 2 -3.730 -0.969 -21.307 1.00 25.00 C ATOM 342 O VAL B 2 -3.108 -0.167 -20.611 1.00 25.00 O ATOM 343 CB VAL B 2 -3.226 -0.296 -23.680 1.00 25.00 C ATOM 344 CG1 VAL B 2 -2.466 -1.605 -23.960 1.00 25.00 C ATOM 345 CG2 VAL B 2 -3.827 0.239 -24.992 1.00 25.00 C ATOM 0 H VAL B 2 -4.474 1.522 -22.099 1.00 25.00 H new ATOM 0 HA VAL B 2 -5.040 -1.259 -23.013 1.00 25.00 H new ATOM 0 HB VAL B 2 -2.524 0.434 -23.277 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -1.690 -1.423 -24.703 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -2.009 -1.965 -23.038 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -3.161 -2.356 -24.337 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -3.032 0.385 -25.723 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -4.550 -0.479 -25.380 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -4.326 1.190 -24.803 1.00 25.00 H new ATOM 355 N ASN B 3 -3.912 -2.232 -20.944 1.00 25.00 N ATOM 356 CA ASN B 3 -3.327 -2.730 -19.707 1.00 25.00 C ATOM 357 C ASN B 3 -1.838 -2.911 -19.871 1.00 25.00 C ATOM 358 O ASN B 3 -1.361 -3.434 -20.868 1.00 25.00 O ATOM 359 CB ASN B 3 -3.921 -4.064 -19.239 1.00 25.00 C ATOM 360 CG ASN B 3 -3.713 -5.191 -20.222 1.00 25.00 C ATOM 361 OD1 ASN B 3 -2.756 -5.932 -20.121 1.00 25.00 O ATOM 362 ND2 ASN B 3 -4.637 -5.361 -21.129 1.00 25.00 N ATOM 0 H ASN B 3 -4.448 -2.918 -21.476 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.556 -1.979 -18.951 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -3.473 -4.338 -18.284 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -4.989 -3.936 -19.065 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -4.570 -6.139 -21.786 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -5.426 -4.716 -21.181 1.00 25.00 H new ATOM 369 N GLN B 4 -1.115 -2.463 -18.865 1.00 25.00 N ATOM 370 CA GLN B 4 0.310 -2.671 -18.779 1.00 25.00 C ATOM 371 C GLN B 4 0.651 -2.467 -17.317 1.00 25.00 C ATOM 372 O GLN B 4 0.023 -1.657 -16.637 1.00 25.00 O ATOM 373 CB GLN B 4 1.069 -1.670 -19.667 1.00 25.00 C ATOM 374 CG GLN B 4 0.621 -0.227 -19.492 1.00 25.00 C ATOM 375 CD GLN B 4 1.321 0.716 -20.435 1.00 25.00 C ATOM 376 OE1 GLN B 4 2.511 0.979 -20.307 1.00 25.00 O ATOM 377 NE2 GLN B 4 0.589 1.243 -21.382 1.00 25.00 N ATOM 0 H GLN B 4 -1.505 -1.941 -18.080 1.00 25.00 H new ATOM 0 HA GLN B 4 0.597 -3.662 -19.129 1.00 25.00 H new ATOM 0 HB2 GLN B 4 2.134 -1.739 -19.446 1.00 25.00 H new ATOM 0 HB3 GLN B 4 0.941 -1.956 -20.711 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -0.455 -0.163 -19.652 1.00 25.00 H new ATOM 0 HG3 GLN B 4 0.809 0.086 -18.465 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -0.399 1.000 -21.458 1.00 25.00 H new ATOM 0 HE22 GLN B 4 1.006 1.897 -22.045 1.00 25.00 H new ATOM 386 N HIS B 5 1.661 -3.166 -16.839 1.00 25.00 N ATOM 387 CA HIS B 5 2.240 -2.843 -15.532 1.00 25.00 C ATOM 388 C HIS B 5 2.897 -1.468 -15.698 1.00 25.00 C ATOM 389 O HIS B 5 3.434 -1.160 -16.765 1.00 25.00 O ATOM 390 CB HIS B 5 3.254 -3.906 -15.092 1.00 25.00 C ATOM 391 CG HIS B 5 2.628 -5.241 -14.823 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.589 -5.423 -13.936 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.867 -6.480 -15.316 1.00 25.00 C ATOM 394 CE1 HIS B 5 1.233 -6.704 -13.939 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.997 -7.352 -14.754 1.00 25.00 N ATOM 0 H HIS B 5 2.099 -3.951 -17.320 1.00 25.00 H new ATOM 0 HA HIS B 5 1.480 -2.825 -14.751 1.00 25.00 H new ATOM 0 HB2 HIS B 5 4.014 -4.017 -15.866 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.764 -3.563 -14.192 1.00 25.00 H new ATOM 0 HD2 HIS B 5 3.628 -6.731 -16.040 1.00 25.00 H new ATOM 0 HE1 HIS B 5 0.433 -7.134 -13.354 1.00 25.00 H new ATOM 0 HE2 HIS B 5 1.952 -8.353 -14.943 1.00 25.00 H new ATOM 404 N LEU B 6 2.795 -0.622 -14.682 1.00 25.00 N ATOM 405 CA LEU B 6 3.240 0.770 -14.775 1.00 25.00 C ATOM 406 C LEU B 6 4.201 1.134 -13.655 1.00 25.00 C ATOM 407 O LEU B 6 3.797 1.364 -12.522 1.00 25.00 O ATOM 408 CB LEU B 6 2.025 1.699 -14.695 1.00 25.00 C ATOM 409 CG LEU B 6 1.076 1.701 -15.898 1.00 25.00 C ATOM 410 CD1 LEU B 6 -0.190 2.463 -15.542 1.00 25.00 C ATOM 411 CD2 LEU B 6 1.740 2.331 -17.123 1.00 25.00 C ATOM 0 H LEU B 6 2.405 -0.875 -13.774 1.00 25.00 H new ATOM 0 HA LEU B 6 3.759 0.887 -15.726 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.450 1.430 -13.809 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.385 2.717 -14.545 1.00 25.00 H new ATOM 0 HG LEU B 6 0.826 0.669 -16.145 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -0.866 2.465 -16.397 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -0.678 1.982 -14.695 1.00 25.00 H new ATOM 0 HD13 LEU B 6 0.065 3.489 -15.279 1.00 25.00 H new ATOM 0 HD21 LEU B 6 1.043 2.319 -17.961 1.00 25.00 H new ATOM 0 HD22 LEU B 6 2.018 3.361 -16.897 1.00 25.00 H new ATOM 0 HD23 LEU B 6 2.633 1.763 -17.385 1.00 25.00 H new ATOM 423 N CYS B 7 5.475 1.240 -13.995 1.00 25.00 N ATOM 424 CA CYS B 7 6.497 1.624 -13.031 1.00 25.00 C ATOM 425 C CYS B 7 7.439 2.611 -13.707 1.00 25.00 C ATOM 426 O CYS B 7 7.525 2.638 -14.937 1.00 25.00 O ATOM 427 CB CYS B 7 7.267 0.382 -12.572 1.00 25.00 C ATOM 428 SG CYS B 7 7.940 0.508 -10.882 1.00 25.00 S ATOM 0 H CYS B 7 5.829 1.065 -14.936 1.00 25.00 H new ATOM 0 HA CYS B 7 6.041 2.087 -12.156 1.00 25.00 H new ATOM 0 HB2 CYS B 7 6.606 -0.483 -12.625 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.087 0.199 -13.266 1.00 25.00 H new ATOM 433 N GLY B 8 8.135 3.423 -12.925 1.00 25.00 N ATOM 434 CA GLY B 8 9.068 4.380 -13.495 1.00 25.00 C ATOM 435 C GLY B 8 8.380 5.385 -14.401 1.00 25.00 C ATOM 436 O GLY B 8 7.259 5.814 -14.136 1.00 25.00 O ATOM 0 H GLY B 8 8.072 3.438 -11.907 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.579 4.909 -12.691 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.832 3.847 -14.061 1.00 25.00 H new ATOM 440 N SER B 9 9.035 5.727 -15.499 1.00 25.00 N ATOM 441 CA SER B 9 8.505 6.691 -16.464 1.00 25.00 C ATOM 442 C SER B 9 7.170 6.262 -17.067 1.00 25.00 C ATOM 443 O SER B 9 6.349 7.103 -17.415 1.00 25.00 O ATOM 444 CB SER B 9 9.521 6.869 -17.585 1.00 25.00 C ATOM 445 OG SER B 9 10.117 5.617 -17.892 1.00 25.00 O ATOM 0 H SER B 9 9.948 5.348 -15.751 1.00 25.00 H new ATOM 0 HA SER B 9 8.330 7.624 -15.929 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.033 7.277 -18.470 1.00 25.00 H new ATOM 0 HB3 SER B 9 10.287 7.584 -17.285 1.00 25.00 H new ATOM 0 HG SER B 9 10.769 5.733 -18.614 1.00 25.00 H new ATOM 451 N HIS B 10 6.923 4.962 -17.166 1.00 25.00 N ATOM 452 CA HIS B 10 5.649 4.485 -17.714 1.00 25.00 C ATOM 453 C HIS B 10 4.492 4.963 -16.851 1.00 25.00 C ATOM 454 O HIS B 10 3.458 5.368 -17.367 1.00 25.00 O ATOM 455 CB HIS B 10 5.621 2.958 -17.796 1.00 25.00 C ATOM 456 CG HIS B 10 6.049 2.420 -19.122 1.00 25.00 C ATOM 457 ND1 HIS B 10 5.192 1.724 -19.980 1.00 25.00 N ATOM 458 CD2 HIS B 10 7.239 2.457 -19.780 1.00 25.00 C ATOM 459 CE1 HIS B 10 5.865 1.370 -21.062 1.00 25.00 C ATOM 460 NE2 HIS B 10 7.096 1.801 -20.964 1.00 25.00 N ATOM 0 H HIS B 10 7.571 4.227 -16.881 1.00 25.00 H new ATOM 0 HA HIS B 10 5.548 4.892 -18.720 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.270 2.549 -17.021 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.611 2.610 -17.582 1.00 25.00 H new ATOM 0 HD1 HIS B 10 4.208 1.522 -19.801 1.00 25.00 H new ATOM 0 HD2 HIS B 10 8.144 2.927 -19.423 1.00 25.00 H new ATOM 0 HE1 HIS B 10 5.462 0.813 -21.895 1.00 25.00 H new ATOM 469 N LEU B 11 4.677 4.930 -15.540 1.00 25.00 N ATOM 470 CA LEU B 11 3.638 5.365 -14.611 1.00 25.00 C ATOM 471 C LEU B 11 3.390 6.857 -14.773 1.00 25.00 C ATOM 472 O LEU B 11 2.253 7.297 -14.832 1.00 25.00 O ATOM 473 CB LEU B 11 4.068 5.049 -13.172 1.00 25.00 C ATOM 474 CG LEU B 11 3.092 5.409 -12.038 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.743 4.728 -12.200 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.722 4.995 -10.711 1.00 25.00 C ATOM 0 H LEU B 11 5.535 4.607 -15.093 1.00 25.00 H new ATOM 0 HA LEU B 11 2.712 4.832 -14.829 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.274 3.980 -13.111 1.00 25.00 H new ATOM 0 HB3 LEU B 11 5.008 5.566 -12.982 1.00 25.00 H new ATOM 0 HG LEU B 11 2.912 6.484 -12.067 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.090 5.014 -11.375 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.292 5.035 -13.144 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.879 3.646 -12.197 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.044 5.242 -9.894 1.00 25.00 H new ATOM 0 HD22 LEU B 11 3.908 3.921 -10.716 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.664 5.526 -10.574 1.00 25.00 H new ATOM 488 N VAL B 12 4.463 7.622 -14.887 1.00 25.00 N ATOM 489 CA VAL B 12 4.369 9.075 -15.030 1.00 25.00 C ATOM 490 C VAL B 12 3.602 9.458 -16.299 1.00 25.00 C ATOM 491 O VAL B 12 2.707 10.295 -16.265 1.00 25.00 O ATOM 492 CB VAL B 12 5.796 9.705 -15.060 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.737 11.215 -15.241 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.549 9.368 -13.760 1.00 25.00 C ATOM 0 H VAL B 12 5.418 7.263 -14.884 1.00 25.00 H new ATOM 0 HA VAL B 12 3.822 9.463 -14.171 1.00 25.00 H new ATOM 0 HB VAL B 12 6.328 9.282 -15.912 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.749 11.619 -15.257 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.237 11.450 -16.181 1.00 25.00 H new ATOM 0 HG13 VAL B 12 5.182 11.659 -14.415 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.544 9.812 -13.790 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.999 9.767 -12.907 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.637 8.286 -13.661 1.00 25.00 H new ATOM 504 N GLU B 13 3.924 8.829 -17.420 1.00 25.00 N ATOM 505 CA GLU B 13 3.258 9.171 -18.676 1.00 25.00 C ATOM 506 C GLU B 13 1.797 8.738 -18.688 1.00 25.00 C ATOM 507 O GLU B 13 0.964 9.367 -19.331 1.00 25.00 O ATOM 508 CB GLU B 13 4.000 8.567 -19.870 1.00 25.00 C ATOM 509 CG GLU B 13 5.422 9.114 -20.038 1.00 25.00 C ATOM 510 CD GLU B 13 5.480 10.615 -19.951 1.00 25.00 C ATOM 511 OE1 GLU B 13 6.081 11.198 -19.094 1.00 25.00 O ATOM 512 OE2 GLU B 13 4.807 11.219 -20.878 1.00 25.00 O ATOM 0 H GLU B 13 4.627 8.093 -17.490 1.00 25.00 H new ATOM 0 HA GLU B 13 3.280 10.258 -18.760 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.046 7.485 -19.751 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.432 8.764 -20.779 1.00 25.00 H new ATOM 0 HG2 GLU B 13 6.065 8.684 -19.270 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.819 8.794 -21.002 1.00 25.00 H new ATOM 520 N ALA B 14 1.477 7.687 -17.953 1.00 25.00 N ATOM 521 CA ALA B 14 0.097 7.233 -17.855 1.00 25.00 C ATOM 522 C ALA B 14 -0.709 8.247 -17.041 1.00 25.00 C ATOM 523 O ALA B 14 -1.862 8.532 -17.349 1.00 25.00 O ATOM 524 CB ALA B 14 0.044 5.862 -17.193 1.00 25.00 C ATOM 0 H ALA B 14 2.147 7.134 -17.418 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.332 7.150 -18.854 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.992 5.531 -17.124 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.614 5.148 -17.788 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.472 5.924 -16.193 1.00 25.00 H new ATOM 530 N LEU B 15 -0.091 8.778 -15.998 1.00 25.00 N ATOM 531 CA LEU B 15 -0.757 9.728 -15.116 1.00 25.00 C ATOM 532 C LEU B 15 -1.104 11.032 -15.809 1.00 25.00 C ATOM 533 O LEU B 15 -2.151 11.607 -15.530 1.00 25.00 O ATOM 534 CB LEU B 15 0.117 10.010 -13.892 1.00 25.00 C ATOM 535 CG LEU B 15 0.121 8.906 -12.826 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.150 9.192 -11.741 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.252 8.785 -12.233 1.00 25.00 C ATOM 0 H LEU B 15 0.873 8.568 -15.740 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.696 9.268 -14.808 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.141 10.174 -14.226 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.220 10.938 -13.430 1.00 25.00 H new ATOM 0 HG LEU B 15 0.397 7.963 -13.298 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.129 8.393 -11.000 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.143 9.248 -12.187 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.915 10.140 -11.258 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.253 8.002 -11.475 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.536 9.733 -11.776 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -1.966 8.533 -13.017 1.00 25.00 H new ATOM 549 N TYR B 16 -0.283 11.458 -16.761 1.00 25.00 N ATOM 550 CA TYR B 16 -0.593 12.667 -17.533 1.00 25.00 C ATOM 551 C TYR B 16 -1.951 12.522 -18.206 1.00 25.00 C ATOM 552 O TYR B 16 -2.746 13.450 -18.225 1.00 25.00 O ATOM 553 CB TYR B 16 0.460 12.924 -18.619 1.00 25.00 C ATOM 554 CG TYR B 16 1.658 13.718 -18.149 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.555 15.108 -17.920 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.908 13.100 -17.950 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.681 15.860 -17.489 1.00 25.00 C ATOM 558 CE2 TYR B 16 4.036 13.852 -17.531 1.00 25.00 C ATOM 559 CZ TYR B 16 3.909 15.223 -17.302 1.00 25.00 C ATOM 560 OH TYR B 16 4.998 15.952 -16.896 1.00 25.00 O ATOM 0 H TYR B 16 0.590 10.997 -17.018 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.599 13.506 -16.837 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.804 11.966 -19.009 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -0.011 13.454 -19.447 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.609 15.605 -18.074 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.009 12.038 -18.119 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.587 16.920 -17.307 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.990 13.365 -17.390 1.00 25.00 H new ATOM 0 HH TYR B 16 5.775 15.360 -16.812 1.00 25.00 H new ATOM 570 N LEU B 17 -2.219 11.348 -18.754 1.00 25.00 N ATOM 571 CA LEU B 17 -3.480 11.110 -19.446 1.00 25.00 C ATOM 572 C LEU B 17 -4.677 11.014 -18.509 1.00 25.00 C ATOM 573 O LEU B 17 -5.746 11.526 -18.807 1.00 25.00 O ATOM 574 CB LEU B 17 -3.410 9.809 -20.232 1.00 25.00 C ATOM 575 CG LEU B 17 -2.333 9.701 -21.324 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.292 8.266 -21.849 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.600 10.673 -22.478 1.00 25.00 C ATOM 0 H LEU B 17 -1.586 10.548 -18.735 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.623 11.971 -20.100 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.255 8.995 -19.524 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.381 9.644 -20.699 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.371 9.967 -20.886 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.530 8.184 -22.624 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -2.053 7.586 -21.031 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.264 8.004 -22.267 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.818 10.568 -23.230 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.568 10.448 -22.926 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.604 11.695 -22.099 1.00 25.00 H new ATOM 589 N VAL B 18 -4.517 10.293 -17.409 1.00 25.00 N ATOM 590 CA VAL B 18 -5.642 10.023 -16.507 1.00 25.00 C ATOM 591 C VAL B 18 -6.019 11.268 -15.724 1.00 25.00 C ATOM 592 O VAL B 18 -7.199 11.568 -15.535 1.00 25.00 O ATOM 593 CB VAL B 18 -5.299 8.865 -15.521 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.452 8.613 -14.537 1.00 25.00 C ATOM 595 CG2 VAL B 18 -5.015 7.584 -16.311 1.00 25.00 C ATOM 0 H VAL B 18 -3.630 9.885 -17.116 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.491 9.722 -17.120 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.417 9.155 -14.950 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.183 7.800 -13.862 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.641 9.517 -13.959 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.351 8.343 -15.091 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.775 6.776 -15.620 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.895 7.314 -16.894 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.172 7.750 -16.982 1.00 25.00 H new ATOM 605 N CYS B 19 -5.021 12.005 -15.274 1.00 25.00 N ATOM 606 CA CYS B 19 -5.278 13.202 -14.495 1.00 25.00 C ATOM 607 C CYS B 19 -5.566 14.397 -15.401 1.00 25.00 C ATOM 608 O CYS B 19 -6.235 15.352 -14.988 1.00 25.00 O ATOM 609 CB CYS B 19 -4.100 13.469 -13.571 1.00 25.00 C ATOM 610 SG CYS B 19 -3.841 12.070 -12.426 1.00 25.00 S ATOM 0 H CYS B 19 -4.035 11.799 -15.432 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.168 13.047 -13.885 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.199 13.632 -14.162 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -4.278 14.382 -13.002 1.00 25.00 H new ATOM 615 N GLY B 20 -5.115 14.333 -16.647 1.00 25.00 N ATOM 616 CA GLY B 20 -5.370 15.416 -17.578 1.00 25.00 C ATOM 617 C GLY B 20 -4.765 16.734 -17.126 1.00 25.00 C ATOM 618 O GLY B 20 -3.689 16.780 -16.531 1.00 25.00 O ATOM 0 H GLY B 20 -4.579 13.554 -17.029 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.966 15.152 -18.555 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.446 15.538 -17.700 1.00 25.00 H new ATOM 622 N GLU B 21 -5.485 17.814 -17.388 1.00 25.00 N ATOM 623 CA GLU B 21 -5.029 19.171 -17.065 1.00 25.00 C ATOM 624 C GLU B 21 -4.925 19.462 -15.563 1.00 25.00 C ATOM 625 O GLU B 21 -4.389 20.491 -15.173 1.00 25.00 O ATOM 626 CB GLU B 21 -5.979 20.194 -17.698 1.00 25.00 C ATOM 627 CG GLU B 21 -6.002 20.150 -19.228 1.00 25.00 C ATOM 628 CD GLU B 21 -6.912 21.190 -19.819 1.00 25.00 C ATOM 629 OE1 GLU B 21 -7.676 21.851 -19.181 1.00 25.00 O ATOM 630 OE2 GLU B 21 -6.807 21.298 -21.095 1.00 25.00 O ATOM 0 H GLU B 21 -6.403 17.782 -17.831 1.00 25.00 H new ATOM 0 HA GLU B 21 -4.020 19.250 -17.470 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.988 20.020 -17.323 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -5.688 21.194 -17.377 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.991 20.298 -19.608 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -6.324 19.161 -19.555 1.00 25.00 H new ATOM 638 N ARG B 22 -5.422 18.563 -14.719 1.00 25.00 N ATOM 639 CA ARG B 22 -5.341 18.753 -13.264 1.00 25.00 C ATOM 640 C ARG B 22 -3.911 18.599 -12.768 1.00 25.00 C ATOM 641 O ARG B 22 -3.571 19.067 -11.686 1.00 25.00 O ATOM 642 CB ARG B 22 -6.206 17.721 -12.539 1.00 25.00 C ATOM 643 CG ARG B 22 -7.701 17.895 -12.766 1.00 25.00 C ATOM 644 CD ARG B 22 -8.469 16.762 -12.114 1.00 25.00 C ATOM 645 NE ARG B 22 -8.316 15.504 -12.863 1.00 25.00 N ATOM 646 CZ ARG B 22 -8.713 14.308 -12.444 1.00 25.00 C ATOM 647 NH1 ARG B 22 -9.250 14.110 -11.268 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.570 13.283 -13.230 1.00 25.00 N ATOM 0 H ARG B 22 -5.883 17.700 -15.009 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.697 19.761 -13.052 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -5.913 16.723 -12.866 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.002 17.779 -11.470 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -8.029 18.850 -12.355 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -7.913 17.919 -13.835 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.116 16.623 -11.092 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -9.525 17.025 -12.054 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.869 15.555 -13.778 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -9.379 14.894 -10.628 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -9.539 13.172 -10.991 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.157 13.403 -14.155 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -8.870 12.358 -12.922 1.00 25.00 H new ATOM 662 N GLY B 23 -3.092 17.898 -13.539 1.00 25.00 N ATOM 663 CA GLY B 23 -1.741 17.598 -13.104 1.00 25.00 C ATOM 664 C GLY B 23 -1.775 16.478 -12.084 1.00 25.00 C ATOM 665 O GLY B 23 -2.845 15.972 -11.748 1.00 25.00 O ATOM 0 H GLY B 23 -3.338 17.531 -14.458 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.129 17.308 -13.958 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.282 18.486 -12.669 1.00 25.00 H new ATOM 669 N PHE B 24 -0.611 16.070 -11.604 1.00 25.00 N ATOM 670 CA PHE B 24 -0.498 14.978 -10.641 1.00 25.00 C ATOM 671 C PHE B 24 0.852 15.106 -9.968 1.00 25.00 C ATOM 672 O PHE B 24 1.652 15.959 -10.352 1.00 25.00 O ATOM 673 CB PHE B 24 -0.607 13.621 -11.344 1.00 25.00 C ATOM 674 CG PHE B 24 0.489 13.362 -12.319 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.378 13.806 -13.644 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.632 12.649 -11.929 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.402 13.555 -14.571 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.658 12.379 -12.847 1.00 25.00 C ATOM 679 CZ PHE B 24 2.545 12.840 -14.178 1.00 25.00 C ATOM 0 H PHE B 24 0.283 16.484 -11.868 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.304 15.036 -9.910 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.607 12.831 -10.593 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.564 13.567 -11.863 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.504 14.346 -13.955 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.723 12.304 -10.910 1.00 25.00 H new ATOM 0 HE1 PHE B 24 1.311 13.912 -15.586 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.530 11.822 -12.538 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.334 12.643 -14.889 1.00 25.00 H new ATOM 689 N PHE B 25 1.118 14.247 -8.999 1.00 25.00 N ATOM 690 CA PHE B 25 2.399 14.237 -8.311 1.00 25.00 C ATOM 691 C PHE B 25 2.874 12.795 -8.215 1.00 25.00 C ATOM 692 O PHE B 25 2.117 11.860 -8.475 1.00 25.00 O ATOM 693 CB PHE B 25 2.269 14.864 -6.916 1.00 25.00 C ATOM 694 CG PHE B 25 1.301 14.140 -6.015 1.00 25.00 C ATOM 695 CD1 PHE B 25 -0.062 14.491 -6.002 1.00 25.00 C ATOM 696 CD2 PHE B 25 1.750 13.105 -5.170 1.00 25.00 C ATOM 697 CE1 PHE B 25 -0.979 13.807 -5.165 1.00 25.00 C ATOM 698 CE2 PHE B 25 0.842 12.413 -4.328 1.00 25.00 C ATOM 699 CZ PHE B 25 -0.526 12.764 -4.333 1.00 25.00 C ATOM 0 H PHE B 25 0.459 13.542 -8.669 1.00 25.00 H new ATOM 0 HA PHE B 25 3.126 14.830 -8.866 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.250 14.881 -6.442 1.00 25.00 H new ATOM 0 HB3 PHE B 25 1.948 15.900 -7.021 1.00 25.00 H new ATOM 0 HD1 PHE B 25 -0.413 15.291 -6.637 1.00 25.00 H new ATOM 0 HD2 PHE B 25 2.796 12.836 -5.164 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -2.023 14.085 -5.165 1.00 25.00 H new ATOM 0 HE2 PHE B 25 1.196 11.620 -3.685 1.00 25.00 H new ATOM 0 HZ PHE B 25 -1.223 12.234 -3.701 1.00 25.00 H new ATOM 709 N TYR B 26 4.128 12.614 -7.839 1.00 25.00 N ATOM 710 CA TYR B 26 4.702 11.290 -7.684 1.00 25.00 C ATOM 711 C TYR B 26 5.494 11.288 -6.388 1.00 25.00 C ATOM 712 O TYR B 26 5.956 12.333 -5.947 1.00 25.00 O ATOM 713 CB TYR B 26 5.602 10.950 -8.878 1.00 25.00 C ATOM 714 CG TYR B 26 6.265 9.595 -8.752 1.00 25.00 C ATOM 715 CD1 TYR B 26 5.502 8.409 -8.793 1.00 25.00 C ATOM 716 CD2 TYR B 26 7.659 9.489 -8.572 1.00 25.00 C ATOM 717 CE1 TYR B 26 6.121 7.140 -8.642 1.00 25.00 C ATOM 718 CE2 TYR B 26 8.283 8.219 -8.434 1.00 25.00 C ATOM 719 CZ TYR B 26 7.503 7.059 -8.465 1.00 25.00 C ATOM 720 OH TYR B 26 8.106 5.835 -8.331 1.00 25.00 O ATOM 0 H TYR B 26 4.774 13.377 -7.634 1.00 25.00 H new ATOM 0 HA TYR B 26 3.919 10.533 -7.649 1.00 25.00 H new ATOM 0 HB2 TYR B 26 5.008 10.974 -9.792 1.00 25.00 H new ATOM 0 HB3 TYR B 26 6.371 11.717 -8.977 1.00 25.00 H new ATOM 0 HD1 TYR B 26 4.434 8.467 -8.941 1.00 25.00 H new ATOM 0 HD2 TYR B 26 8.261 10.385 -8.538 1.00 25.00 H new ATOM 0 HE1 TYR B 26 5.524 6.240 -8.664 1.00 25.00 H new ATOM 0 HE2 TYR B 26 9.353 8.151 -8.306 1.00 25.00 H new ATOM 0 HH TYR B 26 9.072 5.957 -8.217 1.00 25.00 H new ATOM 730 N THR B 27 5.622 10.121 -5.779 1.00 25.00 N ATOM 731 CA THR B 27 6.315 9.959 -4.500 1.00 25.00 C ATOM 732 C THR B 27 7.575 9.089 -4.701 1.00 25.00 C ATOM 733 O THR B 27 7.532 7.851 -4.606 1.00 25.00 O ATOM 734 CB THR B 27 5.359 9.339 -3.443 1.00 25.00 C ATOM 735 OG1 THR B 27 6.100 8.620 -2.455 1.00 25.00 O ATOM 736 CG2 THR B 27 4.376 8.390 -4.101 1.00 25.00 C ATOM 0 H THR B 27 5.248 9.250 -6.156 1.00 25.00 H new ATOM 0 HA THR B 27 6.628 10.935 -4.129 1.00 25.00 H new ATOM 0 HB THR B 27 4.815 10.157 -2.970 1.00 25.00 H new ATOM 0 HG1 THR B 27 6.628 7.918 -2.889 1.00 25.00 H new ATOM 0 HG21 THR B 27 3.716 7.967 -3.344 1.00 25.00 H new ATOM 0 HG22 THR B 27 3.783 8.933 -4.837 1.00 25.00 H new ATOM 0 HG23 THR B 27 4.922 7.587 -4.596 1.00 25.00 H new ATOM 744 N PRO B 28 8.705 9.721 -5.044 1.00 25.00 N ATOM 745 CA PRO B 28 9.953 8.979 -5.242 1.00 25.00 C ATOM 746 C PRO B 28 10.573 8.581 -3.908 1.00 25.00 C ATOM 747 O PRO B 28 10.210 9.111 -2.863 1.00 25.00 O ATOM 748 CB PRO B 28 10.829 9.985 -5.992 1.00 25.00 C ATOM 749 CG PRO B 28 10.385 11.301 -5.480 1.00 25.00 C ATOM 750 CD PRO B 28 8.896 11.166 -5.267 1.00 25.00 C ATOM 0 HA PRO B 28 9.820 8.042 -5.782 1.00 25.00 H new ATOM 0 HB2 PRO B 28 11.888 9.817 -5.795 1.00 25.00 H new ATOM 0 HB3 PRO B 28 10.690 9.909 -7.070 1.00 25.00 H new ATOM 0 HG2 PRO B 28 10.894 11.553 -4.550 1.00 25.00 H new ATOM 0 HG3 PRO B 28 10.610 12.096 -6.191 1.00 25.00 H new ATOM 0 HD2 PRO B 28 8.559 11.751 -4.411 1.00 25.00 H new ATOM 0 HD3 PRO B 28 8.334 11.515 -6.133 1.00 25.00 H new ATOM 758 N LYS B 29 11.521 7.653 -3.940 1.00 25.00 N ATOM 759 CA LYS B 29 12.205 7.214 -2.724 1.00 25.00 C ATOM 760 C LYS B 29 13.685 6.950 -3.000 1.00 25.00 C ATOM 761 O LYS B 29 14.073 5.970 -3.639 1.00 25.00 O ATOM 762 CB LYS B 29 11.506 5.980 -2.119 1.00 25.00 C ATOM 763 CG LYS B 29 11.259 4.810 -3.087 1.00 25.00 C ATOM 764 CD LYS B 29 10.610 3.635 -2.367 1.00 25.00 C ATOM 765 CE LYS B 29 10.600 2.387 -3.250 1.00 25.00 C ATOM 766 NZ LYS B 29 12.003 1.869 -3.485 1.00 25.00 N ATOM 0 H LYS B 29 11.835 7.189 -4.792 1.00 25.00 H new ATOM 0 HA LYS B 29 12.149 8.015 -1.987 1.00 25.00 H new ATOM 0 HB2 LYS B 29 12.108 5.617 -1.286 1.00 25.00 H new ATOM 0 HB3 LYS B 29 10.547 6.294 -1.707 1.00 25.00 H new ATOM 0 HG2 LYS B 29 10.618 5.139 -3.905 1.00 25.00 H new ATOM 0 HG3 LYS B 29 12.204 4.494 -3.529 1.00 25.00 H new ATOM 0 HD2 LYS B 29 11.150 3.427 -1.444 1.00 25.00 H new ATOM 0 HD3 LYS B 29 9.589 3.895 -2.087 1.00 25.00 H new ATOM 0 HE2 LYS B 29 9.997 1.610 -2.779 1.00 25.00 H new ATOM 0 HE3 LYS B 29 10.131 2.619 -4.206 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 11.959 0.883 -3.814 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 12.473 2.454 -4.206 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 12.543 1.914 -2.597 1.00 25.00 H new ATOM 780 N THR B 30 14.538 7.849 -2.536 1.00 25.00 N ATOM 781 CA THR B 30 15.985 7.718 -2.716 1.00 25.00 C ATOM 782 C THR B 30 16.575 6.703 -1.731 1.00 25.00 C ATOM 783 O THR B 30 17.142 6.982 -0.698 1.00 25.00 O ATOM 784 CB THR B 30 16.646 9.100 -2.557 1.00 25.00 C ATOM 785 OG1 THR B 30 15.973 9.769 -1.495 1.00 25.00 O ATOM 786 CG2 THR B 30 16.454 9.945 -3.827 1.00 25.00 C ATOM 787 OXT THR B 30 16.336 5.472 -2.081 1.00 25.00 O ATOM 0 H THR B 30 14.255 8.686 -2.027 1.00 25.00 H new ATOM 0 HA THR B 30 16.186 7.343 -3.720 1.00 25.00 H new ATOM 0 HB THR B 30 17.712 8.973 -2.366 1.00 25.00 H new ATOM 0 HG1 THR B 30 16.370 10.655 -1.363 1.00 25.00 H new ATOM 0 HG21 THR B 30 16.929 10.917 -3.693 1.00 25.00 H new ATOM 0 HG22 THR B 30 16.908 9.434 -4.676 1.00 25.00 H new ATOM 0 HG23 THR B 30 15.389 10.084 -4.014 1.00 25.00 H new TER 796 THR B 30