USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 GLY N :NH3+ -170:sc= 0.151 (180deg=0) USER MOD Set 1.2: A 5 GLN : amide:sc= 1.01 X(o=2.1,f=2) USER MOD Set 1.3: A 12 SER OG : rot 180:sc= 0.528 USER MOD Set 1.4: A 15 GLN : amide:sc= -0.0216 X(o=2.1,f=2) USER MOD Set 1.5: A 19 TYR OH : rot 13:sc= 0.416 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : A 9 SER OG : rot 180:sc=-0.00237 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.816 K(o=0.82,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 142:sc= 0.0497 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 5 HIS : no HE2:sc= 0.0895 K(o=0.089,f=-0.9) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) 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 -43:sc= 0.117 USER MOD Single : B 28 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.21) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.655 3.352 -2.042 1.00 0.00 N ATOM 2 CA GLY A 1 -4.397 3.254 -3.498 1.00 0.00 C ATOM 3 C GLY A 1 -2.952 2.868 -3.751 1.00 0.00 C ATOM 4 O GLY A 1 -2.048 3.544 -3.261 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.677 3.449 -1.876 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.307 2.493 -1.569 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.162 4.183 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.062 2.514 -3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.615 4.208 -3.978 1.00 0.00 H new ATOM 10 N ILE A 2 -2.711 1.798 -4.520 1.00 0.00 N ATOM 11 CA ILE A 2 -1.373 1.191 -4.637 1.00 0.00 C ATOM 12 C ILE A 2 -0.353 2.047 -5.405 1.00 0.00 C ATOM 13 O ILE A 2 0.841 2.005 -5.106 1.00 0.00 O ATOM 14 CB ILE A 2 -1.483 -0.261 -5.163 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.196 -1.078 -4.927 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.903 -0.313 -6.641 1.00 0.00 C ATOM 17 CD1 ILE A 2 0.095 -1.423 -3.460 1.00 0.00 C ATOM 0 H ILE A 2 -3.428 1.331 -5.075 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.956 1.150 -3.631 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.274 -0.729 -4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.263 -2.005 -5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.650 -0.519 -5.327 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.967 -1.352 -6.965 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.876 0.164 -6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.165 0.212 -7.248 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.019 -1.998 -3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.200 -0.504 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.727 -2.013 -3.055 1.00 0.00 H new ATOM 29 N VAL A 3 -0.799 2.898 -6.336 1.00 0.00 N ATOM 30 CA VAL A 3 0.097 3.835 -7.035 1.00 0.00 C ATOM 31 C VAL A 3 0.713 4.858 -6.069 1.00 0.00 C ATOM 32 O VAL A 3 1.908 5.137 -6.135 1.00 0.00 O ATOM 33 CB VAL A 3 -0.630 4.473 -8.230 1.00 0.00 C ATOM 34 CG1 VAL A 3 -1.735 5.464 -7.846 1.00 0.00 C ATOM 35 CG2 VAL A 3 0.362 5.153 -9.178 1.00 0.00 C ATOM 0 H VAL A 3 -1.775 2.959 -6.625 1.00 0.00 H new ATOM 0 HA VAL A 3 0.944 3.281 -7.441 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.123 3.641 -8.733 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.194 5.865 -8.750 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.492 4.953 -7.251 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.306 6.280 -7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.179 5.596 -10.014 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.902 5.933 -8.641 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.070 4.415 -9.554 1.00 0.00 H new ATOM 45 N GLU A 4 -0.043 5.302 -5.058 1.00 0.00 N ATOM 46 CA GLU A 4 0.430 6.181 -3.973 1.00 0.00 C ATOM 47 C GLU A 4 1.205 5.418 -2.872 1.00 0.00 C ATOM 48 O GLU A 4 1.407 5.940 -1.772 1.00 0.00 O ATOM 49 CB GLU A 4 -0.755 6.975 -3.390 1.00 0.00 C ATOM 50 CG GLU A 4 -1.487 7.859 -4.408 1.00 0.00 C ATOM 51 CD GLU A 4 -0.583 8.958 -4.998 1.00 0.00 C ATOM 52 OE1 GLU A 4 -0.307 9.958 -4.290 1.00 0.00 O ATOM 53 OE2 GLU A 4 -0.160 8.841 -6.173 1.00 0.00 O ATOM 0 H GLU A 4 -1.028 5.055 -4.966 1.00 0.00 H new ATOM 0 HA GLU A 4 1.147 6.880 -4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.468 6.274 -2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.391 7.603 -2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.869 7.236 -5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.349 8.322 -3.928 1.00 0.00 H new ATOM 60 N GLN A 5 1.623 4.176 -3.154 1.00 0.00 N ATOM 61 CA GLN A 5 2.322 3.278 -2.228 1.00 0.00 C ATOM 62 C GLN A 5 3.556 2.599 -2.858 1.00 0.00 C ATOM 63 O GLN A 5 4.539 2.365 -2.154 1.00 0.00 O ATOM 64 CB GLN A 5 1.275 2.272 -1.713 1.00 0.00 C ATOM 65 CG GLN A 5 1.752 1.367 -0.571 1.00 0.00 C ATOM 66 CD GLN A 5 0.616 0.554 0.062 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.558 0.647 -0.280 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.926 -0.276 1.033 1.00 0.00 N ATOM 0 H GLN A 5 1.477 3.754 -4.071 1.00 0.00 H new ATOM 0 HA GLN A 5 2.742 3.845 -1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.398 2.824 -1.376 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.957 1.644 -2.545 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.513 0.685 -0.949 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.225 1.979 0.197 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.896 -0.369 1.334 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.196 -0.827 1.486 1.00 0.00 H new ATOM 77 N CYS A 6 3.542 2.329 -4.173 1.00 0.00 N ATOM 78 CA CYS A 6 4.638 1.703 -4.934 1.00 0.00 C ATOM 79 C CYS A 6 5.314 2.623 -5.970 1.00 0.00 C ATOM 80 O CYS A 6 6.435 2.321 -6.390 1.00 0.00 O ATOM 81 CB CYS A 6 4.070 0.476 -5.650 1.00 0.00 C ATOM 82 SG CYS A 6 3.519 -0.891 -4.602 1.00 0.00 S ATOM 0 H CYS A 6 2.737 2.549 -4.759 1.00 0.00 H new ATOM 0 HA CYS A 6 5.417 1.450 -4.215 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.227 0.798 -6.261 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.831 0.097 -6.332 1.00 0.00 H new ATOM 87 N CYS A 7 4.676 3.726 -6.391 1.00 0.00 N ATOM 88 CA CYS A 7 5.264 4.687 -7.340 1.00 0.00 C ATOM 89 C CYS A 7 5.836 5.932 -6.634 1.00 0.00 C ATOM 90 O CYS A 7 6.833 6.499 -7.088 1.00 0.00 O ATOM 91 CB CYS A 7 4.211 5.053 -8.401 1.00 0.00 C ATOM 92 SG CYS A 7 4.815 6.039 -9.796 1.00 0.00 S ATOM 0 H CYS A 7 3.737 3.978 -6.083 1.00 0.00 H new ATOM 0 HA CYS A 7 6.115 4.217 -7.833 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.779 4.131 -8.791 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.405 5.602 -7.913 1.00 0.00 H new ATOM 97 N THR A 8 5.253 6.338 -5.496 1.00 0.00 N ATOM 98 CA THR A 8 5.727 7.466 -4.659 1.00 0.00 C ATOM 99 C THR A 8 6.921 7.089 -3.769 1.00 0.00 C ATOM 100 O THR A 8 7.785 7.923 -3.490 1.00 0.00 O ATOM 101 CB THR A 8 4.589 7.960 -3.752 1.00 0.00 C ATOM 102 OG1 THR A 8 4.014 6.854 -3.089 1.00 0.00 O ATOM 103 CG2 THR A 8 3.482 8.648 -4.555 1.00 0.00 C ATOM 0 H THR A 8 4.420 5.886 -5.118 1.00 0.00 H new ATOM 0 HA THR A 8 6.049 8.246 -5.348 1.00 0.00 H new ATOM 0 HB THR A 8 5.014 8.675 -3.048 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.288 7.162 -2.507 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.696 8.983 -3.878 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.896 9.507 -5.084 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.065 7.945 -5.276 1.00 0.00 H new ATOM 111 N SER A 9 6.980 5.827 -3.339 1.00 0.00 N ATOM 112 CA SER A 9 8.082 5.186 -2.607 1.00 0.00 C ATOM 113 C SER A 9 8.110 3.686 -2.924 1.00 0.00 C ATOM 114 O SER A 9 7.228 3.178 -3.614 1.00 0.00 O ATOM 115 CB SER A 9 7.915 5.420 -1.100 1.00 0.00 C ATOM 116 OG SER A 9 9.100 5.057 -0.403 1.00 0.00 O ATOM 0 H SER A 9 6.209 5.180 -3.502 1.00 0.00 H new ATOM 0 HA SER A 9 9.029 5.625 -2.920 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.683 6.468 -0.913 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.074 4.836 -0.727 1.00 0.00 H new ATOM 0 HG SER A 9 8.976 5.214 0.556 1.00 0.00 H new ATOM 122 N ILE A 10 9.121 2.964 -2.448 1.00 0.00 N ATOM 123 CA ILE A 10 9.271 1.520 -2.693 1.00 0.00 C ATOM 124 C ILE A 10 8.307 0.706 -1.808 1.00 0.00 C ATOM 125 O ILE A 10 8.105 1.025 -0.634 1.00 0.00 O ATOM 126 CB ILE A 10 10.740 1.061 -2.515 1.00 0.00 C ATOM 127 CG1 ILE A 10 11.765 1.942 -3.272 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.884 -0.407 -2.955 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.571 2.032 -4.790 1.00 0.00 C ATOM 0 H ILE A 10 9.867 3.361 -1.877 1.00 0.00 H new ATOM 0 HA ILE A 10 9.003 1.330 -3.732 1.00 0.00 H new ATOM 0 HB ILE A 10 10.970 1.167 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.725 2.950 -2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.765 1.555 -3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.919 -0.725 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.234 -1.035 -2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.601 -0.502 -4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.342 2.673 -5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.644 1.036 -5.226 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.589 2.452 -5.007 1.00 0.00 H new ATOM 141 N CYS A 11 7.752 -0.373 -2.367 1.00 0.00 N ATOM 142 CA CYS A 11 6.843 -1.306 -1.697 1.00 0.00 C ATOM 143 C CYS A 11 7.310 -2.773 -1.811 1.00 0.00 C ATOM 144 O CYS A 11 8.129 -3.117 -2.666 1.00 0.00 O ATOM 145 CB CYS A 11 5.439 -1.113 -2.282 1.00 0.00 C ATOM 146 SG CYS A 11 5.238 -1.752 -3.964 1.00 0.00 S ATOM 0 H CYS A 11 7.931 -0.630 -3.338 1.00 0.00 H new ATOM 0 HA CYS A 11 6.834 -1.087 -0.629 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.716 -1.604 -1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.200 -0.050 -2.279 1.00 0.00 H new ATOM 151 N SER A 12 6.763 -3.638 -0.954 1.00 0.00 N ATOM 152 CA SER A 12 6.975 -5.093 -0.929 1.00 0.00 C ATOM 153 C SER A 12 5.747 -5.866 -1.420 1.00 0.00 C ATOM 154 O SER A 12 4.616 -5.387 -1.344 1.00 0.00 O ATOM 155 CB SER A 12 7.399 -5.537 0.478 1.00 0.00 C ATOM 156 OG SER A 12 6.456 -5.135 1.458 1.00 0.00 O ATOM 0 H SER A 12 6.126 -3.330 -0.219 1.00 0.00 H new ATOM 0 HA SER A 12 7.780 -5.328 -1.625 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.508 -6.621 0.501 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.375 -5.113 0.715 1.00 0.00 H new ATOM 0 HG SER A 12 6.755 -5.434 2.342 1.00 0.00 H new ATOM 162 N LEU A 13 5.965 -7.091 -1.908 1.00 0.00 N ATOM 163 CA LEU A 13 4.928 -7.983 -2.451 1.00 0.00 C ATOM 164 C LEU A 13 3.742 -8.224 -1.501 1.00 0.00 C ATOM 165 O LEU A 13 2.607 -8.383 -1.952 1.00 0.00 O ATOM 166 CB LEU A 13 5.585 -9.301 -2.901 1.00 0.00 C ATOM 167 CG LEU A 13 6.057 -10.300 -1.823 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.591 -11.550 -2.520 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.177 -9.775 -0.921 1.00 0.00 C ATOM 0 H LEU A 13 6.897 -7.505 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 13 4.482 -7.480 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.876 -9.821 -3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.448 -9.047 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 13 5.190 -10.492 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.929 -12.267 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.799 -11.998 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.426 -11.278 -3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.447 -10.540 -0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.048 -9.528 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.835 -8.882 -0.398 1.00 0.00 H new ATOM 181 N TYR A 14 3.982 -8.175 -0.189 1.00 0.00 N ATOM 182 CA TYR A 14 2.950 -8.331 0.844 1.00 0.00 C ATOM 183 C TYR A 14 1.911 -7.197 0.829 1.00 0.00 C ATOM 184 O TYR A 14 0.759 -7.384 1.221 1.00 0.00 O ATOM 185 CB TYR A 14 3.640 -8.384 2.212 1.00 0.00 C ATOM 186 CG TYR A 14 4.739 -9.430 2.330 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.449 -10.790 2.098 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.053 -9.042 2.658 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.465 -11.757 2.189 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.076 -10.009 2.753 1.00 0.00 C ATOM 191 CZ TYR A 14 6.783 -11.372 2.515 1.00 0.00 C ATOM 192 OH TYR A 14 7.763 -12.316 2.598 1.00 0.00 O ATOM 0 H TYR A 14 4.915 -8.023 0.194 1.00 0.00 H new ATOM 0 HA TYR A 14 2.406 -9.253 0.640 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.066 -7.404 2.427 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.888 -8.580 2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.442 -11.090 1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.278 -8.001 2.837 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.236 -12.797 2.009 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.082 -9.709 3.007 1.00 0.00 H new ATOM 0 HH TYR A 14 8.612 -11.886 2.831 1.00 0.00 H new ATOM 202 N GLN A 15 2.305 -6.021 0.327 1.00 0.00 N ATOM 203 CA GLN A 15 1.454 -4.838 0.184 1.00 0.00 C ATOM 204 C GLN A 15 0.526 -4.936 -1.033 1.00 0.00 C ATOM 205 O GLN A 15 -0.493 -4.253 -1.079 1.00 0.00 O ATOM 206 CB GLN A 15 2.330 -3.580 0.093 1.00 0.00 C ATOM 207 CG GLN A 15 3.291 -3.493 1.286 1.00 0.00 C ATOM 208 CD GLN A 15 4.126 -2.222 1.300 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.659 -1.109 1.101 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.409 -2.355 1.556 1.00 0.00 N ATOM 0 H GLN A 15 3.258 -5.863 -0.001 1.00 0.00 H new ATOM 0 HA GLN A 15 0.816 -4.777 1.066 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.899 -3.595 -0.837 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.697 -2.693 0.065 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.716 -3.551 2.210 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.957 -4.356 1.270 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.802 -3.281 1.723 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.011 -1.532 1.588 1.00 0.00 H new ATOM 219 N LEU A 16 0.841 -5.812 -1.997 1.00 0.00 N ATOM 220 CA LEU A 16 0.030 -6.037 -3.194 1.00 0.00 C ATOM 221 C LEU A 16 -1.113 -7.035 -2.934 1.00 0.00 C ATOM 222 O LEU A 16 -2.174 -6.924 -3.545 1.00 0.00 O ATOM 223 CB LEU A 16 0.925 -6.527 -4.348 1.00 0.00 C ATOM 224 CG LEU A 16 2.190 -5.697 -4.646 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.801 -6.156 -5.963 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.926 -4.203 -4.758 1.00 0.00 C ATOM 0 H LEU A 16 1.680 -6.391 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.429 -5.088 -3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.233 -7.549 -4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.321 -6.564 -5.255 1.00 0.00 H new ATOM 0 HG LEU A 16 2.861 -5.858 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.695 -5.569 -6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.067 -7.211 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.078 -6.017 -6.767 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.861 -3.683 -4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.218 -4.018 -5.566 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.510 -3.836 -3.820 1.00 0.00 H new ATOM 238 N GLU A 17 -0.943 -7.960 -1.979 1.00 0.00 N ATOM 239 CA GLU A 17 -2.001 -8.894 -1.552 1.00 0.00 C ATOM 240 C GLU A 17 -3.237 -8.169 -0.984 1.00 0.00 C ATOM 241 O GLU A 17 -4.355 -8.669 -1.104 1.00 0.00 O ATOM 242 CB GLU A 17 -1.457 -9.878 -0.494 1.00 0.00 C ATOM 243 CG GLU A 17 -0.349 -10.794 -1.020 1.00 0.00 C ATOM 244 CD GLU A 17 0.022 -11.866 0.023 1.00 0.00 C ATOM 245 OE1 GLU A 17 0.874 -11.591 0.904 1.00 0.00 O ATOM 246 OE2 GLU A 17 -0.533 -12.992 -0.032 1.00 0.00 O ATOM 0 H GLU A 17 -0.064 -8.084 -1.477 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.314 -9.438 -2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.075 -9.311 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.279 -10.491 -0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.677 -11.276 -1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.532 -10.201 -1.267 1.00 0.00 H new ATOM 253 N ASN A 18 -3.057 -6.957 -0.440 1.00 0.00 N ATOM 254 CA ASN A 18 -4.133 -6.069 0.017 1.00 0.00 C ATOM 255 C ASN A 18 -5.104 -5.645 -1.115 1.00 0.00 C ATOM 256 O ASN A 18 -6.261 -5.319 -0.854 1.00 0.00 O ATOM 257 CB ASN A 18 -3.454 -4.845 0.656 1.00 0.00 C ATOM 258 CG ASN A 18 -4.446 -3.840 1.219 1.00 0.00 C ATOM 259 OD1 ASN A 18 -5.134 -4.090 2.199 1.00 0.00 O ATOM 260 ND2 ASN A 18 -4.543 -2.675 0.620 1.00 0.00 N ATOM 0 H ASN A 18 -2.129 -6.556 -0.302 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.760 -6.600 0.733 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.792 -5.180 1.455 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.830 -4.352 -0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.194 -1.973 0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.967 -2.472 -0.197 1.00 0.00 H new ATOM 267 N TYR A 19 -4.638 -5.677 -2.369 1.00 0.00 N ATOM 268 CA TYR A 19 -5.379 -5.283 -3.575 1.00 0.00 C ATOM 269 C TYR A 19 -5.875 -6.485 -4.407 1.00 0.00 C ATOM 270 O TYR A 19 -6.586 -6.307 -5.398 1.00 0.00 O ATOM 271 CB TYR A 19 -4.491 -4.322 -4.378 1.00 0.00 C ATOM 272 CG TYR A 19 -4.190 -3.032 -3.638 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.102 -2.970 -2.751 1.00 0.00 C ATOM 274 CD2 TYR A 19 -5.010 -1.902 -3.811 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.827 -1.787 -2.045 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.717 -0.703 -3.134 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.630 -0.641 -2.238 1.00 0.00 C ATOM 278 OH TYR A 19 -3.349 0.524 -1.591 1.00 0.00 O ATOM 0 H TYR A 19 -3.691 -5.992 -2.581 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.298 -4.775 -3.284 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.553 -4.821 -4.622 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.982 -4.086 -5.322 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.473 -3.837 -2.611 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.867 -1.955 -4.466 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.999 -1.754 -1.352 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.327 0.172 -3.301 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.454 0.471 -1.195 1.00 0.00 H new ATOM 288 N CYS A 20 -5.529 -7.711 -3.999 1.00 0.00 N ATOM 289 CA CYS A 20 -5.988 -8.968 -4.592 1.00 0.00 C ATOM 290 C CYS A 20 -7.357 -9.406 -4.023 1.00 0.00 C ATOM 291 O CYS A 20 -7.678 -9.120 -2.863 1.00 0.00 O ATOM 292 CB CYS A 20 -4.896 -10.023 -4.343 1.00 0.00 C ATOM 293 SG CYS A 20 -5.122 -11.625 -5.161 1.00 0.00 S ATOM 0 H CYS A 20 -4.895 -7.858 -3.214 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.146 -8.842 -5.663 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.940 -9.608 -4.663 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.825 -10.195 -3.269 1.00 0.00 H new ATOM 298 N ASN A 21 -8.157 -10.119 -4.824 1.00 0.00 N ATOM 299 CA ASN A 21 -9.422 -10.740 -4.402 1.00 0.00 C ATOM 300 C ASN A 21 -9.219 -11.861 -3.358 1.00 0.00 C ATOM 301 O ASN A 21 -9.987 -11.905 -2.372 1.00 0.00 O ATOM 302 CB ASN A 21 -10.157 -11.253 -5.657 1.00 0.00 C ATOM 303 CG ASN A 21 -11.489 -11.919 -5.347 1.00 0.00 C ATOM 304 OD1 ASN A 21 -11.628 -13.135 -5.354 1.00 0.00 O ATOM 305 ND2 ASN A 21 -12.509 -11.142 -5.058 1.00 0.00 N ATOM 306 OXT ASN A 21 -8.311 -12.705 -3.540 1.00 0.00 O ATOM 0 H ASN A 21 -7.940 -10.285 -5.807 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.031 -9.988 -3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.326 -10.418 -6.337 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.516 -11.964 -6.179 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.417 -11.552 -4.839 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.393 -10.129 -5.052 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 11.050 -11.034 -7.195 1.00 0.00 N ATOM 315 CA PHE B 1 10.142 -9.864 -7.082 1.00 0.00 C ATOM 316 C PHE B 1 10.900 -8.556 -7.351 1.00 0.00 C ATOM 317 O PHE B 1 12.106 -8.482 -7.117 1.00 0.00 O ATOM 318 CB PHE B 1 9.418 -9.848 -5.723 1.00 0.00 C ATOM 319 CG PHE B 1 8.386 -8.743 -5.594 1.00 0.00 C ATOM 320 CD1 PHE B 1 7.155 -8.838 -6.273 1.00 0.00 C ATOM 321 CD2 PHE B 1 8.671 -7.604 -4.816 1.00 0.00 C ATOM 322 CE1 PHE B 1 6.219 -7.793 -6.180 1.00 0.00 C ATOM 323 CE2 PHE B 1 7.732 -6.562 -4.725 1.00 0.00 C ATOM 324 CZ PHE B 1 6.509 -6.653 -5.412 1.00 0.00 C ATOM 0 H1 PHE B 1 10.805 -11.735 -6.467 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.948 -11.463 -8.137 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.034 -10.724 -7.061 1.00 0.00 H new ATOM 0 HA PHE B 1 9.372 -9.954 -7.848 1.00 0.00 H new ATOM 0 HB2 PHE B 1 8.928 -10.810 -5.571 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.157 -9.737 -4.929 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.931 -9.713 -6.865 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.611 -7.531 -4.289 1.00 0.00 H new ATOM 0 HE1 PHE B 1 5.275 -7.867 -6.700 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.951 -5.690 -4.126 1.00 0.00 H new ATOM 0 HZ PHE B 1 5.793 -5.847 -5.349 1.00 0.00 H new ATOM 336 N VAL B 2 10.210 -7.519 -7.846 1.00 0.00 N ATOM 337 CA VAL B 2 10.794 -6.216 -8.243 1.00 0.00 C ATOM 338 C VAL B 2 10.481 -5.103 -7.239 1.00 0.00 C ATOM 339 O VAL B 2 9.329 -4.903 -6.854 1.00 0.00 O ATOM 340 CB VAL B 2 10.371 -5.804 -9.667 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.185 -6.576 -10.706 1.00 0.00 C ATOM 342 CG2 VAL B 2 8.879 -6.017 -9.970 1.00 0.00 C ATOM 0 H VAL B 2 9.201 -7.558 -7.988 1.00 0.00 H new ATOM 0 HA VAL B 2 11.875 -6.358 -8.243 1.00 0.00 H new ATOM 0 HB VAL B 2 10.564 -4.733 -9.722 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.876 -6.275 -11.707 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.245 -6.359 -10.573 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.015 -7.645 -10.580 1.00 0.00 H new ATOM 0 HG21 VAL B 2 8.667 -5.702 -10.992 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.632 -7.073 -9.857 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.279 -5.428 -9.276 1.00 0.00 H new ATOM 352 N ASN B 3 11.507 -4.343 -6.836 1.00 0.00 N ATOM 353 CA ASN B 3 11.441 -3.319 -5.785 1.00 0.00 C ATOM 354 C ASN B 3 11.970 -1.965 -6.313 1.00 0.00 C ATOM 355 O ASN B 3 12.851 -1.344 -5.714 1.00 0.00 O ATOM 356 CB ASN B 3 12.186 -3.817 -4.527 1.00 0.00 C ATOM 357 CG ASN B 3 11.684 -5.143 -3.967 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.787 -5.203 -3.137 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.268 -6.249 -4.370 1.00 0.00 N ATOM 0 H ASN B 3 12.437 -4.427 -7.246 1.00 0.00 H new ATOM 0 HA ASN B 3 10.404 -3.147 -5.496 1.00 0.00 H new ATOM 0 HB2 ASN B 3 13.245 -3.917 -4.765 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.105 -3.057 -3.750 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.973 -7.149 -3.991 1.00 0.00 H new ATOM 0 HD22 ASN B 3 13.017 -6.208 -5.062 1.00 0.00 H new ATOM 366 N GLN B 4 11.470 -1.539 -7.480 1.00 0.00 N ATOM 367 CA GLN B 4 11.993 -0.405 -8.260 1.00 0.00 C ATOM 368 C GLN B 4 10.892 0.555 -8.761 1.00 0.00 C ATOM 369 O GLN B 4 10.579 0.603 -9.951 1.00 0.00 O ATOM 370 CB GLN B 4 12.923 -0.928 -9.384 1.00 0.00 C ATOM 371 CG GLN B 4 12.322 -2.028 -10.282 1.00 0.00 C ATOM 372 CD GLN B 4 13.251 -2.456 -11.426 1.00 0.00 C ATOM 373 OE1 GLN B 4 14.420 -2.093 -11.517 1.00 0.00 O ATOM 374 NE2 GLN B 4 12.769 -3.269 -12.344 1.00 0.00 N ATOM 0 H GLN B 4 10.667 -1.986 -7.922 1.00 0.00 H new ATOM 0 HA GLN B 4 12.592 0.217 -7.595 1.00 0.00 H new ATOM 0 HB2 GLN B 4 13.212 -0.087 -10.014 1.00 0.00 H new ATOM 0 HB3 GLN B 4 13.835 -1.313 -8.928 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.087 -2.899 -9.670 1.00 0.00 H new ATOM 0 HG3 GLN B 4 11.382 -1.671 -10.702 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.800 -3.584 -12.289 1.00 0.00 H new ATOM 0 HE22 GLN B 4 13.365 -3.584 -13.110 1.00 0.00 H new ATOM 383 N HIS B 5 10.308 1.320 -7.827 1.00 0.00 N ATOM 384 CA HIS B 5 9.380 2.445 -8.063 1.00 0.00 C ATOM 385 C HIS B 5 8.309 2.155 -9.140 1.00 0.00 C ATOM 386 O HIS B 5 8.153 2.883 -10.127 1.00 0.00 O ATOM 387 CB HIS B 5 10.156 3.767 -8.241 1.00 0.00 C ATOM 388 CG HIS B 5 11.164 3.793 -9.369 1.00 0.00 C ATOM 389 ND1 HIS B 5 10.881 3.681 -10.710 1.00 0.00 N ATOM 390 CD2 HIS B 5 12.524 3.907 -9.257 1.00 0.00 C ATOM 391 CE1 HIS B 5 12.033 3.723 -11.395 1.00 0.00 C ATOM 392 NE2 HIS B 5 13.071 3.867 -10.549 1.00 0.00 N ATOM 0 H HIS B 5 10.477 1.166 -6.833 1.00 0.00 H new ATOM 0 HA HIS B 5 8.776 2.572 -7.165 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.436 4.569 -8.404 1.00 0.00 H new ATOM 0 HB3 HIS B 5 10.676 3.989 -7.309 1.00 0.00 H new ATOM 0 HD1 HIS B 5 9.950 3.582 -11.116 1.00 0.00 H new ATOM 0 HD2 HIS B 5 13.079 4.010 -8.336 1.00 0.00 H new ATOM 0 HE1 HIS B 5 12.116 3.652 -12.469 1.00 0.00 H new ATOM 400 N LEU B 6 7.599 1.034 -8.966 1.00 0.00 N ATOM 401 CA LEU B 6 6.640 0.484 -9.928 1.00 0.00 C ATOM 402 C LEU B 6 5.485 1.462 -10.180 1.00 0.00 C ATOM 403 O LEU B 6 4.867 1.947 -9.231 1.00 0.00 O ATOM 404 CB LEU B 6 6.061 -0.833 -9.393 1.00 0.00 C ATOM 405 CG LEU B 6 7.059 -1.891 -8.914 1.00 0.00 C ATOM 406 CD1 LEU B 6 6.277 -3.107 -8.440 1.00 0.00 C ATOM 407 CD2 LEU B 6 8.047 -2.318 -9.996 1.00 0.00 C ATOM 0 H LEU B 6 7.680 0.466 -8.122 1.00 0.00 H new ATOM 0 HA LEU B 6 7.170 0.312 -10.865 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.394 -0.597 -8.564 1.00 0.00 H new ATOM 0 HB3 LEU B 6 5.449 -1.277 -10.178 1.00 0.00 H new ATOM 0 HG LEU B 6 7.647 -1.451 -8.109 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.971 -3.873 -8.094 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.617 -2.819 -7.622 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.682 -3.501 -9.264 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.726 -3.069 -9.593 1.00 0.00 H new ATOM 0 HD22 LEU B 6 7.502 -2.738 -10.841 1.00 0.00 H new ATOM 0 HD23 LEU B 6 8.620 -1.452 -10.328 1.00 0.00 H new ATOM 419 N CYS B 7 5.149 1.707 -11.448 1.00 0.00 N ATOM 420 CA CYS B 7 4.079 2.632 -11.831 1.00 0.00 C ATOM 421 C CYS B 7 3.356 2.151 -13.097 1.00 0.00 C ATOM 422 O CYS B 7 3.995 1.621 -14.013 1.00 0.00 O ATOM 423 CB CYS B 7 4.692 4.032 -12.028 1.00 0.00 C ATOM 424 SG CYS B 7 3.700 5.405 -11.383 1.00 0.00 S ATOM 0 H CYS B 7 5.614 1.267 -12.243 1.00 0.00 H new ATOM 0 HA CYS B 7 3.328 2.673 -11.042 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.670 4.054 -11.547 1.00 0.00 H new ATOM 0 HB3 CYS B 7 4.857 4.193 -13.093 1.00 0.00 H new ATOM 429 N GLY B 8 2.031 2.319 -13.158 1.00 0.00 N ATOM 430 CA GLY B 8 1.207 1.899 -14.295 1.00 0.00 C ATOM 431 C GLY B 8 1.388 0.416 -14.621 1.00 0.00 C ATOM 432 O GLY B 8 1.269 -0.435 -13.735 1.00 0.00 O ATOM 0 H GLY B 8 1.494 2.756 -12.409 1.00 0.00 H new ATOM 0 HA2 GLY B 8 0.158 2.096 -14.074 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.466 2.496 -15.170 1.00 0.00 H new ATOM 436 N SER B 9 1.737 0.103 -15.870 1.00 0.00 N ATOM 437 CA SER B 9 1.985 -1.263 -16.357 1.00 0.00 C ATOM 438 C SER B 9 2.979 -2.061 -15.501 1.00 0.00 C ATOM 439 O SER B 9 2.777 -3.258 -15.292 1.00 0.00 O ATOM 440 CB SER B 9 2.527 -1.211 -17.792 1.00 0.00 C ATOM 441 OG SER B 9 1.653 -0.465 -18.631 1.00 0.00 O ATOM 0 H SER B 9 1.860 0.810 -16.595 1.00 0.00 H new ATOM 0 HA SER B 9 1.024 -1.774 -16.303 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.518 -0.758 -17.796 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.638 -2.223 -18.181 1.00 0.00 H new ATOM 0 HG SER B 9 2.015 -0.441 -19.541 1.00 0.00 H new ATOM 447 N HIS B 10 4.013 -1.419 -14.946 1.00 0.00 N ATOM 448 CA HIS B 10 5.018 -2.076 -14.095 1.00 0.00 C ATOM 449 C HIS B 10 4.472 -2.498 -12.726 1.00 0.00 C ATOM 450 O HIS B 10 4.907 -3.498 -12.161 1.00 0.00 O ATOM 451 CB HIS B 10 6.213 -1.132 -13.906 1.00 0.00 C ATOM 452 CG HIS B 10 6.939 -0.862 -15.191 1.00 0.00 C ATOM 453 ND1 HIS B 10 7.006 0.329 -15.880 1.00 0.00 N ATOM 454 CD2 HIS B 10 7.623 -1.793 -15.914 1.00 0.00 C ATOM 455 CE1 HIS B 10 7.723 0.119 -16.995 1.00 0.00 C ATOM 456 NE2 HIS B 10 8.125 -1.167 -17.065 1.00 0.00 N ATOM 0 H HIS B 10 4.179 -0.421 -15.074 1.00 0.00 H new ATOM 0 HA HIS B 10 5.321 -2.991 -14.604 1.00 0.00 H new ATOM 0 HB2 HIS B 10 5.864 -0.189 -13.484 1.00 0.00 H new ATOM 0 HB3 HIS B 10 6.905 -1.567 -13.185 1.00 0.00 H new ATOM 0 HD2 HIS B 10 7.755 -2.831 -15.648 1.00 0.00 H new ATOM 0 HE1 HIS B 10 7.947 0.874 -17.734 1.00 0.00 H new ATOM 0 HE2 HIS B 10 8.681 -1.597 -17.804 1.00 0.00 H new ATOM 464 N LEU B 11 3.497 -1.751 -12.202 1.00 0.00 N ATOM 465 CA LEU B 11 2.825 -2.070 -10.944 1.00 0.00 C ATOM 466 C LEU B 11 1.706 -3.098 -11.175 1.00 0.00 C ATOM 467 O LEU B 11 1.633 -4.090 -10.458 1.00 0.00 O ATOM 468 CB LEU B 11 2.352 -0.742 -10.332 1.00 0.00 C ATOM 469 CG LEU B 11 1.646 -0.845 -8.972 1.00 0.00 C ATOM 470 CD1 LEU B 11 2.409 -1.680 -7.948 1.00 0.00 C ATOM 471 CD2 LEU B 11 1.473 0.569 -8.420 1.00 0.00 C ATOM 0 H LEU B 11 3.150 -0.900 -12.645 1.00 0.00 H new ATOM 0 HA LEU B 11 3.495 -2.551 -10.231 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.216 -0.086 -10.223 1.00 0.00 H new ATOM 0 HB3 LEU B 11 1.674 -0.261 -11.036 1.00 0.00 H new ATOM 0 HG LEU B 11 0.693 -1.347 -9.137 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.850 -1.708 -7.012 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.534 -2.694 -8.326 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.388 -1.235 -7.772 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.973 0.523 -7.453 1.00 0.00 H new ATOM 0 HD22 LEU B 11 2.451 1.035 -8.301 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.871 1.159 -9.112 1.00 0.00 H new ATOM 483 N VAL B 12 0.909 -2.946 -12.242 1.00 0.00 N ATOM 484 CA VAL B 12 -0.102 -3.935 -12.676 1.00 0.00 C ATOM 485 C VAL B 12 0.532 -5.314 -12.938 1.00 0.00 C ATOM 486 O VAL B 12 -0.014 -6.337 -12.524 1.00 0.00 O ATOM 487 CB VAL B 12 -0.835 -3.411 -13.929 1.00 0.00 C ATOM 488 CG1 VAL B 12 -1.762 -4.437 -14.590 1.00 0.00 C ATOM 489 CG2 VAL B 12 -1.696 -2.192 -13.582 1.00 0.00 C ATOM 0 H VAL B 12 0.945 -2.121 -12.841 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.826 -4.067 -11.872 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.037 -3.165 -14.629 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.238 -3.989 -15.462 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.181 -5.306 -14.900 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.527 -4.747 -13.879 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.204 -1.838 -14.479 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.436 -2.471 -12.832 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.061 -1.398 -13.188 1.00 0.00 H new ATOM 499 N GLU B 13 1.718 -5.354 -13.550 1.00 0.00 N ATOM 500 CA GLU B 13 2.524 -6.570 -13.743 1.00 0.00 C ATOM 501 C GLU B 13 2.930 -7.227 -12.410 1.00 0.00 C ATOM 502 O GLU B 13 2.898 -8.453 -12.291 1.00 0.00 O ATOM 503 CB GLU B 13 3.746 -6.199 -14.607 1.00 0.00 C ATOM 504 CG GLU B 13 4.758 -7.330 -14.808 1.00 0.00 C ATOM 505 CD GLU B 13 5.762 -6.981 -15.926 1.00 0.00 C ATOM 506 OE1 GLU B 13 6.763 -6.273 -15.654 1.00 0.00 O ATOM 507 OE2 GLU B 13 5.567 -7.431 -17.082 1.00 0.00 O ATOM 0 H GLU B 13 2.160 -4.520 -13.937 1.00 0.00 H new ATOM 0 HA GLU B 13 1.926 -7.323 -14.256 1.00 0.00 H new ATOM 0 HB2 GLU B 13 3.395 -5.867 -15.584 1.00 0.00 H new ATOM 0 HB3 GLU B 13 4.255 -5.352 -14.146 1.00 0.00 H new ATOM 0 HG2 GLU B 13 5.294 -7.513 -13.877 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.233 -8.252 -15.060 1.00 0.00 H new ATOM 514 N ALA B 14 3.241 -6.436 -11.380 1.00 0.00 N ATOM 515 CA ALA B 14 3.546 -6.938 -10.038 1.00 0.00 C ATOM 516 C ALA B 14 2.297 -7.439 -9.290 1.00 0.00 C ATOM 517 O ALA B 14 2.354 -8.481 -8.634 1.00 0.00 O ATOM 518 CB ALA B 14 4.250 -5.831 -9.262 1.00 0.00 C ATOM 0 H ALA B 14 3.289 -5.420 -11.455 1.00 0.00 H new ATOM 0 HA ALA B 14 4.198 -7.807 -10.130 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.487 -6.184 -8.258 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.171 -5.555 -9.776 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.597 -4.961 -9.196 1.00 0.00 H new ATOM 524 N LEU B 15 1.154 -6.750 -9.419 1.00 0.00 N ATOM 525 CA LEU B 15 -0.115 -7.226 -8.863 1.00 0.00 C ATOM 526 C LEU B 15 -0.523 -8.562 -9.497 1.00 0.00 C ATOM 527 O LEU B 15 -0.901 -9.482 -8.773 1.00 0.00 O ATOM 528 CB LEU B 15 -1.237 -6.181 -9.026 1.00 0.00 C ATOM 529 CG LEU B 15 -1.298 -5.124 -7.910 1.00 0.00 C ATOM 530 CD1 LEU B 15 -0.235 -4.049 -8.031 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.638 -4.396 -7.936 1.00 0.00 C ATOM 0 H LEU B 15 1.086 -5.857 -9.907 1.00 0.00 H new ATOM 0 HA LEU B 15 0.036 -7.383 -7.795 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.106 -5.673 -9.982 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.195 -6.700 -9.069 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.143 -5.684 -6.988 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -0.340 -3.339 -7.210 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.753 -4.508 -7.990 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.353 -3.526 -8.980 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.663 -3.652 -7.140 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.765 -3.901 -8.899 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -3.445 -5.114 -7.788 1.00 0.00 H new ATOM 543 N TYR B 16 -0.362 -8.715 -10.815 1.00 0.00 N ATOM 544 CA TYR B 16 -0.577 -9.989 -11.507 1.00 0.00 C ATOM 545 C TYR B 16 0.395 -11.086 -11.042 1.00 0.00 C ATOM 546 O TYR B 16 -0.026 -12.229 -10.847 1.00 0.00 O ATOM 547 CB TYR B 16 -0.482 -9.771 -13.024 1.00 0.00 C ATOM 548 CG TYR B 16 -0.684 -11.039 -13.830 1.00 0.00 C ATOM 549 CD1 TYR B 16 -1.953 -11.656 -13.870 1.00 0.00 C ATOM 550 CD2 TYR B 16 0.404 -11.627 -14.506 1.00 0.00 C ATOM 551 CE1 TYR B 16 -2.130 -12.858 -14.579 1.00 0.00 C ATOM 552 CE2 TYR B 16 0.230 -12.831 -15.216 1.00 0.00 C ATOM 553 CZ TYR B 16 -1.040 -13.451 -15.251 1.00 0.00 C ATOM 554 OH TYR B 16 -1.219 -14.619 -15.929 1.00 0.00 O ATOM 0 H TYR B 16 -0.078 -7.956 -11.434 1.00 0.00 H new ATOM 0 HA TYR B 16 -1.576 -10.343 -11.253 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.228 -9.036 -13.325 1.00 0.00 H new ATOM 0 HB3 TYR B 16 0.495 -9.350 -13.262 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -2.789 -11.205 -13.356 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.374 -11.153 -14.480 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.102 -13.328 -14.609 1.00 0.00 H new ATOM 0 HE2 TYR B 16 1.065 -13.280 -15.733 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.371 -14.894 -16.337 1.00 0.00 H new ATOM 564 N LEU B 17 1.668 -10.753 -10.797 1.00 0.00 N ATOM 565 CA LEU B 17 2.682 -11.711 -10.333 1.00 0.00 C ATOM 566 C LEU B 17 2.370 -12.265 -8.929 1.00 0.00 C ATOM 567 O LEU B 17 2.635 -13.434 -8.645 1.00 0.00 O ATOM 568 CB LEU B 17 4.054 -11.005 -10.381 1.00 0.00 C ATOM 569 CG LEU B 17 5.257 -11.867 -9.954 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.460 -13.086 -10.856 1.00 0.00 C ATOM 571 CD2 LEU B 17 6.531 -11.021 -10.006 1.00 0.00 C ATOM 0 H LEU B 17 2.027 -9.806 -10.915 1.00 0.00 H new ATOM 0 HA LEU B 17 2.686 -12.582 -10.989 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.226 -10.650 -11.397 1.00 0.00 H new ATOM 0 HB3 LEU B 17 4.013 -10.125 -9.739 1.00 0.00 H new ATOM 0 HG LEU B 17 5.050 -12.221 -8.944 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.321 -13.657 -10.508 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.571 -13.715 -10.823 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.633 -12.756 -11.880 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.384 -11.629 -9.704 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.685 -10.658 -11.022 1.00 0.00 H new ATOM 0 HD23 LEU B 17 6.432 -10.173 -9.329 1.00 0.00 H new ATOM 583 N VAL B 18 1.770 -11.439 -8.060 1.00 0.00 N ATOM 584 CA VAL B 18 1.373 -11.810 -6.688 1.00 0.00 C ATOM 585 C VAL B 18 -0.015 -12.472 -6.633 1.00 0.00 C ATOM 586 O VAL B 18 -0.195 -13.468 -5.931 1.00 0.00 O ATOM 587 CB VAL B 18 1.455 -10.557 -5.787 1.00 0.00 C ATOM 588 CG1 VAL B 18 0.854 -10.776 -4.395 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.915 -10.141 -5.590 1.00 0.00 C ATOM 0 H VAL B 18 1.541 -10.473 -8.293 1.00 0.00 H new ATOM 0 HA VAL B 18 2.066 -12.565 -6.316 1.00 0.00 H new ATOM 0 HB VAL B 18 0.880 -9.786 -6.301 1.00 0.00 H new ATOM 0 HG11 VAL B 18 0.943 -9.859 -3.812 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -0.198 -11.044 -4.491 1.00 0.00 H new ATOM 0 HG13 VAL B 18 1.389 -11.580 -3.890 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.959 -9.257 -4.954 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.465 -10.955 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.362 -9.914 -6.558 1.00 0.00 H new ATOM 599 N CYS B 19 -0.995 -11.935 -7.364 1.00 0.00 N ATOM 600 CA CYS B 19 -2.407 -12.323 -7.260 1.00 0.00 C ATOM 601 C CYS B 19 -2.825 -13.447 -8.230 1.00 0.00 C ATOM 602 O CYS B 19 -3.746 -14.215 -7.936 1.00 0.00 O ATOM 603 CB CYS B 19 -3.239 -11.053 -7.483 1.00 0.00 C ATOM 604 SG CYS B 19 -5.009 -11.192 -7.148 1.00 0.00 S ATOM 0 H CYS B 19 -0.828 -11.206 -8.057 1.00 0.00 H new ATOM 0 HA CYS B 19 -2.581 -12.748 -6.271 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -2.832 -10.262 -6.854 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -3.110 -10.736 -8.518 1.00 0.00 H new ATOM 609 N GLY B 20 -2.152 -13.582 -9.375 1.00 0.00 N ATOM 610 CA GLY B 20 -2.469 -14.570 -10.411 1.00 0.00 C ATOM 611 C GLY B 20 -3.893 -14.440 -10.971 1.00 0.00 C ATOM 612 O GLY B 20 -4.409 -13.340 -11.184 1.00 0.00 O ATOM 0 H GLY B 20 -1.353 -12.994 -9.614 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -1.756 -14.468 -11.229 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.340 -15.571 -9.998 1.00 0.00 H new ATOM 616 N GLU B 21 -4.550 -15.580 -11.199 1.00 0.00 N ATOM 617 CA GLU B 21 -5.888 -15.673 -11.815 1.00 0.00 C ATOM 618 C GLU B 21 -7.060 -15.233 -10.908 1.00 0.00 C ATOM 619 O GLU B 21 -8.206 -15.195 -11.362 1.00 0.00 O ATOM 620 CB GLU B 21 -6.100 -17.095 -12.367 1.00 0.00 C ATOM 621 CG GLU B 21 -6.160 -18.175 -11.278 1.00 0.00 C ATOM 622 CD GLU B 21 -6.411 -19.566 -11.895 1.00 0.00 C ATOM 623 OE1 GLU B 21 -5.429 -20.230 -12.316 1.00 0.00 O ATOM 624 OE2 GLU B 21 -7.581 -20.014 -11.957 1.00 0.00 O ATOM 0 H GLU B 21 -4.161 -16.491 -10.956 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.902 -14.948 -12.628 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -7.026 -17.118 -12.941 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -5.291 -17.332 -13.058 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -5.225 -18.185 -10.718 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -6.954 -17.939 -10.569 1.00 0.00 H new ATOM 631 N ARG B 22 -6.798 -14.874 -9.642 1.00 0.00 N ATOM 632 CA ARG B 22 -7.826 -14.420 -8.678 1.00 0.00 C ATOM 633 C ARG B 22 -8.443 -13.061 -9.047 1.00 0.00 C ATOM 634 O ARG B 22 -9.605 -12.815 -8.725 1.00 0.00 O ATOM 635 CB ARG B 22 -7.222 -14.350 -7.263 1.00 0.00 C ATOM 636 CG ARG B 22 -6.746 -15.711 -6.724 1.00 0.00 C ATOM 637 CD ARG B 22 -6.120 -15.572 -5.329 1.00 0.00 C ATOM 638 NE ARG B 22 -7.108 -15.148 -4.316 1.00 0.00 N ATOM 639 CZ ARG B 22 -7.803 -15.897 -3.487 1.00 0.00 C ATOM 640 NH1 ARG B 22 -7.698 -17.195 -3.437 1.00 0.00 N ATOM 641 NH2 ARG B 22 -8.631 -15.313 -2.679 1.00 0.00 N ATOM 0 H ARG B 22 -5.857 -14.889 -9.249 1.00 0.00 H new ATOM 0 HA ARG B 22 -8.632 -15.153 -8.711 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -6.380 -13.658 -7.271 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -7.966 -13.939 -6.580 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -7.588 -16.401 -6.680 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -6.017 -16.141 -7.411 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -5.683 -16.525 -5.032 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -5.307 -14.847 -5.368 1.00 0.00 H new ATOM 0 HE ARG B 22 -7.273 -14.144 -4.251 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -7.052 -17.679 -4.061 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -8.262 -17.727 -2.774 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -8.731 -14.298 -2.697 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -9.183 -15.868 -2.025 1.00 0.00 H new ATOM 655 N GLY B 23 -7.685 -12.202 -9.734 1.00 0.00 N ATOM 656 CA GLY B 23 -8.071 -10.830 -10.085 1.00 0.00 C ATOM 657 C GLY B 23 -7.839 -9.819 -8.954 1.00 0.00 C ATOM 658 O GLY B 23 -7.935 -10.146 -7.770 1.00 0.00 O ATOM 0 H GLY B 23 -6.755 -12.449 -10.073 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -7.507 -10.516 -10.963 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.125 -10.817 -10.362 1.00 0.00 H new ATOM 662 N PHE B 24 -7.501 -8.584 -9.330 1.00 0.00 N ATOM 663 CA PHE B 24 -7.090 -7.508 -8.423 1.00 0.00 C ATOM 664 C PHE B 24 -7.668 -6.141 -8.829 1.00 0.00 C ATOM 665 O PHE B 24 -8.152 -5.962 -9.949 1.00 0.00 O ATOM 666 CB PHE B 24 -5.551 -7.459 -8.353 1.00 0.00 C ATOM 667 CG PHE B 24 -4.860 -7.303 -9.693 1.00 0.00 C ATOM 668 CD1 PHE B 24 -4.655 -6.023 -10.249 1.00 0.00 C ATOM 669 CD2 PHE B 24 -4.416 -8.444 -10.389 1.00 0.00 C ATOM 670 CE1 PHE B 24 -3.992 -5.887 -11.480 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.767 -8.305 -11.628 1.00 0.00 C ATOM 672 CZ PHE B 24 -3.543 -7.028 -12.168 1.00 0.00 C ATOM 0 H PHE B 24 -7.506 -8.295 -10.308 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.494 -7.728 -7.435 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.257 -6.630 -7.709 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.193 -8.373 -7.879 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -5.008 -5.146 -9.727 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -4.574 -9.427 -9.970 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.827 -4.905 -11.898 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.440 -9.182 -12.166 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.026 -6.923 -13.111 1.00 0.00 H new ATOM 682 N PHE B 25 -7.601 -5.172 -7.910 1.00 0.00 N ATOM 683 CA PHE B 25 -8.205 -3.843 -8.041 1.00 0.00 C ATOM 684 C PHE B 25 -7.164 -2.750 -7.752 1.00 0.00 C ATOM 685 O PHE B 25 -6.695 -2.614 -6.624 1.00 0.00 O ATOM 686 CB PHE B 25 -9.417 -3.750 -7.096 1.00 0.00 C ATOM 687 CG PHE B 25 -10.390 -4.913 -7.219 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.374 -4.914 -8.227 1.00 0.00 C ATOM 689 CD2 PHE B 25 -10.283 -6.018 -6.350 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.246 -6.009 -8.358 1.00 0.00 C ATOM 691 CE2 PHE B 25 -11.155 -7.113 -6.488 1.00 0.00 C ATOM 692 CZ PHE B 25 -12.139 -7.108 -7.491 1.00 0.00 C ATOM 0 H PHE B 25 -7.108 -5.296 -7.025 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.552 -3.688 -9.063 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.059 -3.696 -6.068 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.950 -2.821 -7.297 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.459 -4.073 -8.900 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.530 -6.024 -5.576 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -13.002 -6.005 -9.129 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.068 -7.959 -5.822 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.811 -7.947 -7.595 1.00 0.00 H new ATOM 702 N TYR B 26 -6.787 -1.968 -8.764 1.00 0.00 N ATOM 703 CA TYR B 26 -5.706 -0.966 -8.680 1.00 0.00 C ATOM 704 C TYR B 26 -6.133 0.348 -7.989 1.00 0.00 C ATOM 705 O TYR B 26 -5.286 1.064 -7.446 1.00 0.00 O ATOM 706 CB TYR B 26 -5.212 -0.737 -10.118 1.00 0.00 C ATOM 707 CG TYR B 26 -3.949 0.092 -10.299 1.00 0.00 C ATOM 708 CD1 TYR B 26 -4.038 1.490 -10.453 1.00 0.00 C ATOM 709 CD2 TYR B 26 -2.698 -0.546 -10.416 1.00 0.00 C ATOM 710 CE1 TYR B 26 -2.885 2.248 -10.729 1.00 0.00 C ATOM 711 CE2 TYR B 26 -1.546 0.208 -10.714 1.00 0.00 C ATOM 712 CZ TYR B 26 -1.634 1.607 -10.873 1.00 0.00 C ATOM 713 OH TYR B 26 -0.524 2.332 -11.191 1.00 0.00 O ATOM 0 H TYR B 26 -7.227 -2.008 -9.683 1.00 0.00 H new ATOM 0 HA TYR B 26 -4.904 -1.340 -8.044 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.044 -1.712 -10.576 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.014 -0.256 -10.678 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.995 1.982 -10.359 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -2.622 -1.614 -10.277 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.956 3.321 -10.831 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -0.592 -0.287 -10.821 1.00 0.00 H new ATOM 0 HH TYR B 26 0.251 1.735 -11.250 1.00 0.00 H new ATOM 723 N THR B 27 -7.445 0.632 -7.937 1.00 0.00 N ATOM 724 CA THR B 27 -8.076 1.864 -7.401 1.00 0.00 C ATOM 725 C THR B 27 -7.653 3.165 -8.115 1.00 0.00 C ATOM 726 O THR B 27 -6.885 3.143 -9.084 1.00 0.00 O ATOM 727 CB THR B 27 -7.956 1.970 -5.862 1.00 0.00 C ATOM 728 OG1 THR B 27 -6.653 2.333 -5.475 1.00 0.00 O ATOM 729 CG2 THR B 27 -8.319 0.679 -5.127 1.00 0.00 C ATOM 0 H THR B 27 -8.140 -0.027 -8.287 1.00 0.00 H new ATOM 0 HA THR B 27 -9.135 1.753 -7.634 1.00 0.00 H new ATOM 0 HB THR B 27 -8.675 2.740 -5.581 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.002 1.832 -6.009 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.211 0.829 -4.053 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.350 0.409 -5.354 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.654 -0.123 -5.450 1.00 0.00 H new ATOM 737 N LYS B 28 -8.198 4.309 -7.683 1.00 0.00 N ATOM 738 CA LYS B 28 -7.923 5.648 -8.235 1.00 0.00 C ATOM 739 C LYS B 28 -7.763 6.669 -7.087 1.00 0.00 C ATOM 740 O LYS B 28 -8.688 6.784 -6.276 1.00 0.00 O ATOM 741 CB LYS B 28 -9.081 6.024 -9.183 1.00 0.00 C ATOM 742 CG LYS B 28 -8.833 7.266 -10.058 1.00 0.00 C ATOM 743 CD LYS B 28 -7.821 7.013 -11.190 1.00 0.00 C ATOM 744 CE LYS B 28 -7.853 8.115 -12.259 1.00 0.00 C ATOM 745 NZ LYS B 28 -7.366 9.427 -11.761 1.00 0.00 N ATOM 0 H LYS B 28 -8.866 4.332 -6.913 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.990 5.652 -8.798 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -9.286 5.175 -9.835 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -9.978 6.192 -8.587 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.779 7.594 -10.490 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.471 8.080 -9.430 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -6.818 6.948 -10.769 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -8.034 6.051 -11.657 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -7.243 7.807 -13.108 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.874 8.228 -12.624 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.380 10.120 -12.537 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.983 9.757 -10.991 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -6.394 9.324 -11.406 1.00 0.00 H new ATOM 759 N PRO B 29 -6.636 7.402 -6.978 1.00 0.00 N ATOM 760 CA PRO B 29 -6.378 8.301 -5.843 1.00 0.00 C ATOM 761 C PRO B 29 -7.054 9.679 -5.969 1.00 0.00 C ATOM 762 O PRO B 29 -7.308 10.326 -4.947 1.00 0.00 O ATOM 763 CB PRO B 29 -4.851 8.423 -5.783 1.00 0.00 C ATOM 764 CG PRO B 29 -4.433 8.295 -7.244 1.00 0.00 C ATOM 765 CD PRO B 29 -5.435 7.285 -7.802 1.00 0.00 C ATOM 0 HA PRO B 29 -6.807 7.893 -4.928 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -4.540 9.377 -5.357 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -4.408 7.640 -5.168 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -4.491 9.251 -7.765 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -3.407 7.941 -7.340 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -5.659 7.496 -8.848 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -5.032 6.273 -7.760 1.00 0.00 H new ATOM 773 N THR B 30 -7.354 10.113 -7.200 1.00 0.00 N ATOM 774 CA THR B 30 -7.924 11.434 -7.549 1.00 0.00 C ATOM 775 C THR B 30 -8.995 11.291 -8.630 1.00 0.00 C ATOM 776 O THR B 30 -10.157 11.681 -8.381 1.00 0.00 O ATOM 777 CB THR B 30 -6.825 12.404 -8.019 1.00 0.00 C ATOM 778 OG1 THR B 30 -5.803 12.480 -7.044 1.00 0.00 O ATOM 779 CG2 THR B 30 -7.353 13.822 -8.237 1.00 0.00 C ATOM 780 OXT THR B 30 -8.665 10.771 -9.721 1.00 0.00 O ATOM 0 H THR B 30 -7.201 9.530 -8.023 1.00 0.00 H new ATOM 0 HA THR B 30 -8.384 11.845 -6.651 1.00 0.00 H new ATOM 0 HB THR B 30 -6.451 12.014 -8.966 1.00 0.00 H new ATOM 0 HG1 THR B 30 -5.105 13.097 -7.349 1.00 0.00 H new ATOM 0 HG21 THR B 30 -6.539 14.467 -8.568 1.00 0.00 H new ATOM 0 HG22 THR B 30 -8.135 13.806 -8.996 1.00 0.00 H new ATOM 0 HG23 THR B 30 -7.763 14.205 -7.302 1.00 0.00 H new TER 788 THR B 30