USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=12 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+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 27 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 12 SER OG : rot -91:sc= 0.0427 USER MOD Set 2.2: A 15 GLN : amide:sc= -2.44 K(o=-2.4,f=-9.9!) USER MOD Single : A 5 GLN : amide:sc= -0.0366 X(o=-0.037,f=-0.31) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.198 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 1.05 K(o=1,f=-0.21) USER MOD Single : A 19 TYR OH : rot 30:sc= -3.63! USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.95) USER MOD Single : B 4 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.064) USER MOD Single : B 5 HIS : no HE2:sc= -17! C(o=-17!,f=-20!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS :FLIP no HD1:sc= -3.13! C(o=-6!,f=-3.1!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 75:sc= 0.558 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -21:sc= 1.48 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.734 2.145 3.742 1.00 0.00 N ATOM 2 CA GLY A 1 -5.509 2.729 4.447 1.00 0.00 C ATOM 3 C GLY A 1 -4.380 3.265 3.634 1.00 0.00 C ATOM 4 O GLY A 1 -3.741 4.230 4.001 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.421 1.819 4.452 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.173 2.876 3.146 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.443 1.342 3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.857 3.535 5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.104 1.952 5.096 1.00 0.00 H new ATOM 10 N ILE A 2 -4.105 2.657 2.512 1.00 0.00 N ATOM 11 CA ILE A 2 -2.988 3.147 1.656 1.00 0.00 C ATOM 12 C ILE A 2 -3.547 4.078 0.578 1.00 0.00 C ATOM 13 O ILE A 2 -2.817 4.788 -0.083 1.00 0.00 O ATOM 14 CB ILE A 2 -2.293 1.958 0.990 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.347 1.009 0.413 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.449 1.216 2.023 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.675 0.019 -0.536 1.00 0.00 C ATOM 0 H ILE A 2 -4.605 1.844 2.152 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.269 3.688 2.271 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.649 2.317 0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.850 0.473 1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.111 1.577 -0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.954 0.369 1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.698 1.892 2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.091 0.857 2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.425 -0.657 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.193 0.563 -1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.927 -0.557 0.009 1.00 0.00 H new ATOM 29 N VAL A 3 -4.839 4.078 0.399 1.00 0.00 N ATOM 30 CA VAL A 3 -5.450 4.959 -0.635 1.00 0.00 C ATOM 31 C VAL A 3 -5.234 6.424 -0.253 1.00 0.00 C ATOM 32 O VAL A 3 -4.476 7.134 -0.883 1.00 0.00 O ATOM 33 CB VAL A 3 -6.949 4.675 -0.730 1.00 0.00 C ATOM 34 CG1 VAL A 3 -7.463 5.096 -2.107 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.199 3.179 -0.530 1.00 0.00 C ATOM 0 H VAL A 3 -5.499 3.505 0.925 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.981 4.762 -1.599 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.473 5.238 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.532 4.893 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.286 6.162 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.938 4.533 -2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.268 2.976 -0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.673 2.616 -1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.834 2.877 0.452 1.00 0.00 H new ATOM 45 N GLU A 4 -5.897 6.885 0.771 1.00 0.00 N ATOM 46 CA GLU A 4 -5.729 8.306 1.185 1.00 0.00 C ATOM 47 C GLU A 4 -4.371 8.485 1.865 1.00 0.00 C ATOM 48 O GLU A 4 -3.877 9.585 2.007 1.00 0.00 O ATOM 49 CB GLU A 4 -6.847 8.692 2.155 1.00 0.00 C ATOM 50 CG GLU A 4 -7.641 9.865 1.575 1.00 0.00 C ATOM 51 CD GLU A 4 -9.096 9.442 1.355 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.353 8.250 1.361 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.926 10.319 1.185 1.00 0.00 O ATOM 0 H GLU A 4 -6.547 6.340 1.338 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.778 8.948 0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.506 7.841 2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.426 8.967 3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.598 10.717 2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.198 10.186 0.632 1.00 0.00 H new ATOM 60 N GLN A 5 -3.760 7.410 2.285 1.00 0.00 N ATOM 61 CA GLN A 5 -2.432 7.523 2.953 1.00 0.00 C ATOM 62 C GLN A 5 -1.342 7.647 1.890 1.00 0.00 C ATOM 63 O GLN A 5 -0.332 8.293 2.090 1.00 0.00 O ATOM 64 CB GLN A 5 -2.176 6.278 3.806 1.00 0.00 C ATOM 65 CG GLN A 5 -0.864 6.447 4.575 1.00 0.00 C ATOM 66 CD GLN A 5 -1.160 6.558 6.071 1.00 0.00 C ATOM 67 OE1 GLN A 5 -2.092 7.229 6.469 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.401 5.925 6.924 1.00 0.00 N ATOM 0 H GLN A 5 -4.122 6.461 2.195 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.421 8.405 3.593 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.001 6.125 4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.126 5.393 3.171 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.207 5.598 4.386 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.340 7.338 4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.381 5.362 6.591 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.590 5.994 7.924 1.00 0.00 H new ATOM 77 N CYS A 6 -1.547 7.036 0.760 1.00 0.00 N ATOM 78 CA CYS A 6 -0.536 7.116 -0.329 1.00 0.00 C ATOM 79 C CYS A 6 -1.042 8.064 -1.408 1.00 0.00 C ATOM 80 O CYS A 6 -0.278 8.708 -2.100 1.00 0.00 O ATOM 81 CB CYS A 6 -0.324 5.728 -0.936 1.00 0.00 C ATOM 82 SG CYS A 6 -0.109 4.518 0.390 1.00 0.00 S ATOM 0 H CYS A 6 -2.375 6.482 0.542 1.00 0.00 H new ATOM 0 HA CYS A 6 0.408 7.482 0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.178 5.456 -1.556 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.552 5.733 -1.584 1.00 0.00 H new ATOM 87 N CYS A 7 -2.329 8.152 -1.555 1.00 0.00 N ATOM 88 CA CYS A 7 -2.905 9.054 -2.586 1.00 0.00 C ATOM 89 C CYS A 7 -3.091 10.449 -1.985 1.00 0.00 C ATOM 90 O CYS A 7 -2.716 11.443 -2.574 1.00 0.00 O ATOM 91 CB CYS A 7 -4.246 8.490 -3.055 1.00 0.00 C ATOM 92 SG CYS A 7 -4.674 9.222 -4.650 1.00 0.00 S ATOM 0 H CYS A 7 -3.013 7.635 -1.002 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.234 9.125 -3.442 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.187 7.405 -3.144 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.022 8.708 -2.321 1.00 0.00 H new ATOM 97 N THR A 8 -3.647 10.531 -0.805 1.00 0.00 N ATOM 98 CA THR A 8 -3.827 11.862 -0.163 1.00 0.00 C ATOM 99 C THR A 8 -2.486 12.271 0.461 1.00 0.00 C ATOM 100 O THR A 8 -2.212 13.434 0.683 1.00 0.00 O ATOM 101 CB THR A 8 -4.946 11.765 0.897 1.00 0.00 C ATOM 102 OG1 THR A 8 -6.031 12.592 0.501 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.454 12.213 2.280 1.00 0.00 C ATOM 0 H THR A 8 -3.983 9.736 -0.261 1.00 0.00 H new ATOM 0 HA THR A 8 -4.123 12.619 -0.889 1.00 0.00 H new ATOM 0 HB THR A 8 -5.259 10.723 0.968 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.747 12.535 1.168 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.268 12.131 3.000 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.626 11.578 2.595 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.118 13.249 2.229 1.00 0.00 H new ATOM 111 N SER A 9 -1.648 11.307 0.730 1.00 0.00 N ATOM 112 CA SER A 9 -0.315 11.600 1.325 1.00 0.00 C ATOM 113 C SER A 9 0.678 10.547 0.819 1.00 0.00 C ATOM 114 O SER A 9 0.620 10.136 -0.322 1.00 0.00 O ATOM 115 CB SER A 9 -0.407 11.538 2.851 1.00 0.00 C ATOM 116 OG SER A 9 0.800 12.037 3.415 1.00 0.00 O ATOM 0 H SER A 9 -1.833 10.318 0.561 1.00 0.00 H new ATOM 0 HA SER A 9 0.017 12.597 1.036 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.256 12.126 3.200 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.576 10.511 3.175 1.00 0.00 H new ATOM 0 HG SER A 9 0.744 12.000 4.393 1.00 0.00 H new ATOM 122 N ILE A 10 1.578 10.092 1.649 1.00 0.00 N ATOM 123 CA ILE A 10 2.543 9.057 1.181 1.00 0.00 C ATOM 124 C ILE A 10 2.596 7.903 2.175 1.00 0.00 C ATOM 125 O ILE A 10 2.190 8.024 3.313 1.00 0.00 O ATOM 126 CB ILE A 10 3.952 9.635 1.067 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.973 10.801 0.087 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.899 8.552 0.578 1.00 0.00 C ATOM 129 CD1 ILE A 10 4.018 12.100 0.879 1.00 0.00 C ATOM 0 H ILE A 10 1.686 10.388 2.619 1.00 0.00 H new ATOM 0 HA ILE A 10 2.204 8.711 0.205 1.00 0.00 H new ATOM 0 HB ILE A 10 4.266 9.994 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.840 10.728 -0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.088 10.776 -0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.906 8.960 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.900 7.723 1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.571 8.195 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.034 12.945 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.137 12.168 1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.916 12.119 1.497 1.00 0.00 H new ATOM 141 N CYS A 11 3.126 6.789 1.754 1.00 0.00 N ATOM 142 CA CYS A 11 3.246 5.628 2.676 1.00 0.00 C ATOM 143 C CYS A 11 4.571 4.924 2.436 1.00 0.00 C ATOM 144 O CYS A 11 5.221 5.119 1.431 1.00 0.00 O ATOM 145 CB CYS A 11 2.124 4.631 2.427 1.00 0.00 C ATOM 146 SG CYS A 11 1.890 4.434 0.644 1.00 0.00 S ATOM 0 H CYS A 11 3.481 6.633 0.811 1.00 0.00 H new ATOM 0 HA CYS A 11 3.187 5.996 3.700 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.366 3.671 2.883 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.201 4.980 2.891 1.00 0.00 H new ATOM 151 N SER A 12 4.961 4.089 3.348 1.00 0.00 N ATOM 152 CA SER A 12 6.240 3.344 3.187 1.00 0.00 C ATOM 153 C SER A 12 5.930 1.877 2.900 1.00 0.00 C ATOM 154 O SER A 12 4.973 1.327 3.408 1.00 0.00 O ATOM 155 CB SER A 12 7.067 3.450 4.469 1.00 0.00 C ATOM 156 OG SER A 12 6.913 2.259 5.232 1.00 0.00 O ATOM 0 H SER A 12 4.448 3.886 4.206 1.00 0.00 H new ATOM 0 HA SER A 12 6.808 3.770 2.360 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.118 3.605 4.225 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.745 4.313 5.052 1.00 0.00 H new ATOM 0 HG SER A 12 6.162 2.363 5.853 1.00 0.00 H new ATOM 162 N LEU A 13 6.729 1.234 2.097 1.00 0.00 N ATOM 163 CA LEU A 13 6.467 -0.198 1.792 1.00 0.00 C ATOM 164 C LEU A 13 6.164 -0.929 3.091 1.00 0.00 C ATOM 165 O LEU A 13 5.367 -1.845 3.133 1.00 0.00 O ATOM 166 CB LEU A 13 7.688 -0.820 1.109 1.00 0.00 C ATOM 167 CG LEU A 13 8.778 -1.122 2.141 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.654 -2.574 2.603 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.153 -0.912 1.505 1.00 0.00 C ATOM 0 H LEU A 13 7.548 1.636 1.641 1.00 0.00 H new ATOM 0 HA LEU A 13 5.615 -0.282 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.398 -1.738 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.075 -0.140 0.350 1.00 0.00 H new ATOM 0 HG LEU A 13 8.663 -0.455 2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.430 -2.790 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.674 -2.730 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.770 -3.239 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.930 -1.127 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.265 -1.581 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.245 0.121 1.171 1.00 0.00 H new ATOM 181 N TYR A 14 6.774 -0.510 4.157 1.00 0.00 N ATOM 182 CA TYR A 14 6.500 -1.158 5.464 1.00 0.00 C ATOM 183 C TYR A 14 4.995 -1.094 5.689 1.00 0.00 C ATOM 184 O TYR A 14 4.365 -2.051 6.096 1.00 0.00 O ATOM 185 CB TYR A 14 7.223 -0.404 6.581 1.00 0.00 C ATOM 186 CG TYR A 14 7.754 -1.392 7.591 1.00 0.00 C ATOM 187 CD1 TYR A 14 8.813 -2.243 7.246 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.188 -1.458 8.871 1.00 0.00 C ATOM 189 CE1 TYR A 14 9.306 -3.161 8.184 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.681 -2.377 9.807 1.00 0.00 C ATOM 191 CZ TYR A 14 8.739 -3.229 9.463 1.00 0.00 C ATOM 192 OH TYR A 14 9.225 -4.133 10.387 1.00 0.00 O ATOM 0 H TYR A 14 7.451 0.253 4.181 1.00 0.00 H new ATOM 0 HA TYR A 14 6.851 -2.190 5.467 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.042 0.185 6.167 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.540 0.295 7.064 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.249 -2.192 6.259 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.373 -0.801 9.136 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.123 -3.816 7.920 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.245 -2.429 10.794 1.00 0.00 H new ATOM 0 HH TYR A 14 8.721 -4.049 11.223 1.00 0.00 H new ATOM 202 N GLN A 15 4.415 0.034 5.389 1.00 0.00 N ATOM 203 CA GLN A 15 2.948 0.188 5.537 1.00 0.00 C ATOM 204 C GLN A 15 2.273 -0.607 4.427 1.00 0.00 C ATOM 205 O GLN A 15 1.151 -1.054 4.551 1.00 0.00 O ATOM 206 CB GLN A 15 2.584 1.668 5.392 1.00 0.00 C ATOM 207 CG GLN A 15 2.834 2.400 6.711 1.00 0.00 C ATOM 208 CD GLN A 15 4.322 2.344 7.057 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.118 3.061 6.484 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.734 1.519 7.981 1.00 0.00 N ATOM 0 H GLN A 15 4.902 0.861 5.045 1.00 0.00 H new ATOM 0 HA GLN A 15 2.622 -0.172 6.513 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.177 2.121 4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.537 1.767 5.104 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.508 3.437 6.630 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.248 1.943 7.508 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.066 0.917 8.462 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.724 1.476 8.222 1.00 0.00 H new ATOM 219 N LEU A 16 2.968 -0.788 3.340 1.00 0.00 N ATOM 220 CA LEU A 16 2.401 -1.555 2.202 1.00 0.00 C ATOM 221 C LEU A 16 2.483 -3.042 2.524 1.00 0.00 C ATOM 222 O LEU A 16 1.649 -3.824 2.113 1.00 0.00 O ATOM 223 CB LEU A 16 3.210 -1.242 0.934 1.00 0.00 C ATOM 224 CG LEU A 16 3.124 0.256 0.558 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.669 0.381 -0.896 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.124 1.011 1.449 1.00 0.00 C ATOM 0 H LEU A 16 3.913 -0.433 3.192 1.00 0.00 H new ATOM 0 HA LEU A 16 1.360 -1.278 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.253 -1.519 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.839 -1.847 0.107 1.00 0.00 H new ATOM 0 HG LEU A 16 4.112 0.694 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.606 1.435 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.387 -0.120 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.689 -0.083 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.093 2.060 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.133 0.572 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.437 0.937 2.491 1.00 0.00 H new ATOM 238 N GLU A 17 3.475 -3.439 3.270 1.00 0.00 N ATOM 239 CA GLU A 17 3.595 -4.874 3.631 1.00 0.00 C ATOM 240 C GLU A 17 2.497 -5.212 4.638 1.00 0.00 C ATOM 241 O GLU A 17 2.173 -6.361 4.859 1.00 0.00 O ATOM 242 CB GLU A 17 4.967 -5.138 4.256 1.00 0.00 C ATOM 243 CG GLU A 17 6.063 -4.791 3.246 1.00 0.00 C ATOM 244 CD GLU A 17 7.267 -5.710 3.463 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.519 -6.062 4.603 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.915 -6.044 2.485 1.00 0.00 O ATOM 0 H GLU A 17 4.205 -2.832 3.643 1.00 0.00 H new ATOM 0 HA GLU A 17 3.490 -5.493 2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.088 -4.540 5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.048 -6.184 4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.685 -4.904 2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.362 -3.749 3.361 1.00 0.00 H new ATOM 253 N ASN A 18 1.919 -4.211 5.246 1.00 0.00 N ATOM 254 CA ASN A 18 0.837 -4.472 6.237 1.00 0.00 C ATOM 255 C ASN A 18 -0.460 -4.808 5.497 1.00 0.00 C ATOM 256 O ASN A 18 -1.428 -5.243 6.089 1.00 0.00 O ATOM 257 CB ASN A 18 0.626 -3.228 7.102 1.00 0.00 C ATOM 258 CG ASN A 18 0.083 -3.644 8.471 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.690 -3.368 9.487 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.041 -4.302 8.541 1.00 0.00 N ATOM 0 H ASN A 18 2.148 -3.228 5.100 1.00 0.00 H new ATOM 0 HA ASN A 18 1.120 -5.311 6.873 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.567 -2.690 7.220 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.071 -2.547 6.614 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.411 -4.585 9.449 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.550 -4.534 7.688 1.00 0.00 H new ATOM 267 N TYR A 19 -0.488 -4.608 4.207 1.00 0.00 N ATOM 268 CA TYR A 19 -1.723 -4.915 3.432 1.00 0.00 C ATOM 269 C TYR A 19 -1.601 -6.304 2.799 1.00 0.00 C ATOM 270 O TYR A 19 -2.515 -6.788 2.160 1.00 0.00 O ATOM 271 CB TYR A 19 -1.905 -3.869 2.331 1.00 0.00 C ATOM 272 CG TYR A 19 -2.231 -2.532 2.953 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.307 -1.914 3.802 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.458 -1.911 2.681 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.605 -0.674 4.380 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.758 -0.670 3.259 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.833 -0.053 4.110 1.00 0.00 C ATOM 278 OH TYR A 19 -3.128 1.168 4.680 1.00 0.00 O ATOM 0 H TYR A 19 0.291 -4.245 3.657 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.584 -4.896 4.100 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.996 -3.792 1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.705 -4.172 1.656 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.363 -2.394 4.012 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.172 -2.389 2.026 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.890 -0.196 5.033 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.702 -0.190 3.048 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.299 1.672 4.822 1.00 0.00 H new ATOM 288 N CYS A 20 -0.477 -6.948 2.965 1.00 0.00 N ATOM 289 CA CYS A 20 -0.297 -8.303 2.367 1.00 0.00 C ATOM 290 C CYS A 20 -1.470 -9.203 2.754 1.00 0.00 C ATOM 291 O CYS A 20 -2.102 -9.014 3.774 1.00 0.00 O ATOM 292 CB CYS A 20 1.008 -8.915 2.882 1.00 0.00 C ATOM 293 SG CYS A 20 2.389 -7.828 2.456 1.00 0.00 S ATOM 0 H CYS A 20 0.324 -6.595 3.488 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.258 -8.215 1.281 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.957 -9.051 3.962 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.158 -9.901 2.443 1.00 0.00 H new ATOM 298 N ASN A 21 -1.765 -10.185 1.945 1.00 0.00 N ATOM 299 CA ASN A 21 -2.896 -11.099 2.262 1.00 0.00 C ATOM 300 C ASN A 21 -2.468 -12.079 3.357 1.00 0.00 C ATOM 301 O ASN A 21 -2.134 -11.620 4.437 1.00 0.00 O ATOM 302 CB ASN A 21 -3.290 -11.880 1.007 1.00 0.00 C ATOM 303 CG ASN A 21 -4.798 -12.126 1.011 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.272 -13.053 1.637 1.00 0.00 O ATOM 305 ND2 ASN A 21 -5.580 -11.328 0.336 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.481 -13.270 3.098 1.00 0.00 O ATOM 0 H ASN A 21 -1.270 -10.392 1.078 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.748 -10.514 2.608 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.004 -11.323 0.115 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.756 -12.830 0.974 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.588 -11.483 0.334 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.183 -10.549 -0.190 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.698 2.035 -1.554 1.00 0.00 N ATOM 315 CA PHE B 1 12.265 1.943 -1.157 1.00 0.00 C ATOM 316 C PHE B 1 11.983 2.920 -0.020 1.00 0.00 C ATOM 317 O PHE B 1 12.501 2.785 1.071 1.00 0.00 O ATOM 318 CB PHE B 1 11.955 0.534 -0.671 1.00 0.00 C ATOM 319 CG PHE B 1 11.059 -0.165 -1.665 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.741 0.276 -1.851 1.00 0.00 C ATOM 321 CD2 PHE B 1 11.543 -1.255 -2.401 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.909 -0.372 -2.773 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.710 -1.904 -3.323 1.00 0.00 C ATOM 324 CZ PHE B 1 9.394 -1.462 -3.509 1.00 0.00 C ATOM 0 H1 PHE B 1 13.887 1.368 -2.329 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.909 3.003 -1.871 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.300 1.799 -0.739 1.00 0.00 H new ATOM 0 HA PHE B 1 11.645 2.185 -2.020 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.880 -0.028 -0.544 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.470 0.574 0.304 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.367 1.115 -1.283 1.00 0.00 H new ATOM 0 HD2 PHE B 1 12.558 -1.595 -2.258 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.894 -0.032 -2.917 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.083 -2.744 -3.890 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.752 -1.961 -4.220 1.00 0.00 H new ATOM 336 N VAL B 2 11.168 3.900 -0.264 1.00 0.00 N ATOM 337 CA VAL B 2 10.851 4.884 0.786 1.00 0.00 C ATOM 338 C VAL B 2 9.387 5.301 0.656 1.00 0.00 C ATOM 339 O VAL B 2 8.567 4.585 0.115 1.00 0.00 O ATOM 340 CB VAL B 2 11.781 6.081 0.606 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.192 7.070 -0.400 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.978 6.757 1.950 1.00 0.00 C ATOM 0 H VAL B 2 10.705 4.059 -1.159 1.00 0.00 H new ATOM 0 HA VAL B 2 10.996 4.461 1.780 1.00 0.00 H new ATOM 0 HB VAL B 2 12.742 5.738 0.222 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.868 7.917 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.061 6.576 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.226 7.424 -0.040 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.641 7.614 1.833 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.014 7.094 2.333 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.420 6.050 2.652 1.00 0.00 H new ATOM 352 N ASN B 3 9.057 6.456 1.144 1.00 0.00 N ATOM 353 CA ASN B 3 7.644 6.924 1.042 1.00 0.00 C ATOM 354 C ASN B 3 7.325 7.191 -0.435 1.00 0.00 C ATOM 355 O ASN B 3 8.131 7.742 -1.159 1.00 0.00 O ATOM 356 CB ASN B 3 7.430 8.205 1.873 1.00 0.00 C ATOM 357 CG ASN B 3 8.498 8.309 2.967 1.00 0.00 C ATOM 358 OD1 ASN B 3 8.717 7.372 3.708 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.173 9.418 3.101 1.00 0.00 N ATOM 0 H ASN B 3 9.698 7.099 1.609 1.00 0.00 H new ATOM 0 HA ASN B 3 6.978 6.157 1.436 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.476 9.080 1.225 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.437 8.194 2.323 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.884 9.498 3.828 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.989 10.205 2.479 1.00 0.00 H new ATOM 366 N GLN B 4 6.166 6.795 -0.893 1.00 0.00 N ATOM 367 CA GLN B 4 5.815 7.017 -2.327 1.00 0.00 C ATOM 368 C GLN B 4 4.332 7.363 -2.453 1.00 0.00 C ATOM 369 O GLN B 4 3.484 6.733 -1.852 1.00 0.00 O ATOM 370 CB GLN B 4 6.094 5.742 -3.123 1.00 0.00 C ATOM 371 CG GLN B 4 6.714 6.108 -4.474 1.00 0.00 C ATOM 372 CD GLN B 4 8.234 5.963 -4.395 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.961 6.884 -4.712 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.751 4.838 -3.983 1.00 0.00 N ATOM 0 H GLN B 4 5.449 6.329 -0.337 1.00 0.00 H new ATOM 0 HA GLN B 4 6.416 7.839 -2.715 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.769 5.093 -2.565 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.169 5.185 -3.274 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.317 5.460 -5.256 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.449 7.131 -4.742 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.142 4.064 -3.717 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.764 4.732 -3.927 1.00 0.00 H new ATOM 383 N HIS B 5 4.012 8.354 -3.235 1.00 0.00 N ATOM 384 CA HIS B 5 2.584 8.733 -3.407 1.00 0.00 C ATOM 385 C HIS B 5 1.906 7.713 -4.324 1.00 0.00 C ATOM 386 O HIS B 5 2.350 7.467 -5.429 1.00 0.00 O ATOM 387 CB HIS B 5 2.498 10.121 -4.039 1.00 0.00 C ATOM 388 CG HIS B 5 2.470 11.167 -2.960 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.320 11.443 -2.251 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.450 11.996 -2.487 1.00 0.00 C ATOM 391 CE1 HIS B 5 1.627 12.417 -1.383 1.00 0.00 C ATOM 392 NE2 HIS B 5 2.920 12.788 -1.491 1.00 0.00 N ATOM 0 H HIS B 5 4.678 8.918 -3.763 1.00 0.00 H new ATOM 0 HA HIS B 5 2.086 8.747 -2.437 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.352 10.285 -4.697 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.602 10.196 -4.655 1.00 0.00 H new ATOM 0 HD1 HIS B 5 0.412 10.993 -2.365 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.471 12.025 -2.837 1.00 0.00 H new ATOM 0 HE1 HIS B 5 0.927 12.851 -0.684 1.00 0.00 H new ATOM 400 N LEU B 6 0.842 7.108 -3.877 1.00 0.00 N ATOM 401 CA LEU B 6 0.149 6.097 -4.724 1.00 0.00 C ATOM 402 C LEU B 6 -1.365 6.309 -4.648 1.00 0.00 C ATOM 403 O LEU B 6 -1.850 7.102 -3.869 1.00 0.00 O ATOM 404 CB LEU B 6 0.499 4.697 -4.217 1.00 0.00 C ATOM 405 CG LEU B 6 2.018 4.523 -4.179 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.357 3.157 -3.584 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.579 4.597 -5.597 1.00 0.00 C ATOM 0 H LEU B 6 0.422 7.269 -2.962 1.00 0.00 H new ATOM 0 HA LEU B 6 0.471 6.204 -5.760 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.082 4.546 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.054 3.943 -4.867 1.00 0.00 H new ATOM 0 HG LEU B 6 2.455 5.314 -3.569 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.439 3.031 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.958 3.092 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.916 2.373 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.661 4.473 -5.567 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.140 3.805 -6.204 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.337 5.566 -6.034 1.00 0.00 H new ATOM 419 N CYS B 7 -2.117 5.605 -5.454 1.00 0.00 N ATOM 420 CA CYS B 7 -3.598 5.771 -5.427 1.00 0.00 C ATOM 421 C CYS B 7 -4.282 4.462 -5.819 1.00 0.00 C ATOM 422 O CYS B 7 -4.884 3.792 -5.004 1.00 0.00 O ATOM 423 CB CYS B 7 -4.012 6.863 -6.416 1.00 0.00 C ATOM 424 SG CYS B 7 -3.302 8.449 -5.913 1.00 0.00 S ATOM 0 H CYS B 7 -1.769 4.924 -6.128 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.900 6.050 -4.417 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.673 6.605 -7.419 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -5.099 6.937 -6.456 1.00 0.00 H new ATOM 429 N GLY B 8 -4.215 4.110 -7.068 1.00 0.00 N ATOM 430 CA GLY B 8 -4.883 2.857 -7.536 1.00 0.00 C ATOM 431 C GLY B 8 -3.850 1.826 -8.012 1.00 0.00 C ATOM 432 O GLY B 8 -3.252 1.124 -7.222 1.00 0.00 O ATOM 0 H GLY B 8 -3.725 4.635 -7.793 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.478 2.434 -6.726 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.571 3.089 -8.349 1.00 0.00 H new ATOM 436 N SER B 9 -3.648 1.719 -9.301 1.00 0.00 N ATOM 437 CA SER B 9 -2.669 0.724 -9.827 1.00 0.00 C ATOM 438 C SER B 9 -1.366 0.855 -9.055 1.00 0.00 C ATOM 439 O SER B 9 -0.847 -0.095 -8.512 1.00 0.00 O ATOM 440 CB SER B 9 -2.415 0.988 -11.311 1.00 0.00 C ATOM 441 OG SER B 9 -3.480 0.438 -12.075 1.00 0.00 O ATOM 0 H SER B 9 -4.120 2.279 -10.011 1.00 0.00 H new ATOM 0 HA SER B 9 -3.068 -0.283 -9.707 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.337 2.060 -11.493 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.467 0.543 -11.614 1.00 0.00 H new ATOM 0 HG SER B 9 -3.321 0.607 -13.027 1.00 0.00 H new ATOM 447 N HIS B 10 -0.846 2.036 -9.001 1.00 0.00 N ATOM 448 CA HIS B 10 0.433 2.269 -8.257 1.00 0.00 C ATOM 449 C HIS B 10 0.258 1.967 -6.760 1.00 0.00 C ATOM 450 O HIS B 10 1.200 2.052 -5.999 1.00 0.00 O ATOM 451 CB HIS B 10 0.912 3.720 -8.411 1.00 0.00 C ATOM 452 CG HIS B 10 -0.218 4.631 -8.815 1.00 0.00 C ATOM 453 ND1 HIS B 10 -1.518 4.703 -8.397 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 -0.040 5.606 -9.773 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -2.152 5.715 -9.088 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -1.217 6.233 -9.909 1.00 0.00 N flip ATOM 0 H HIS B 10 -1.246 2.865 -9.440 1.00 0.00 H new ATOM 0 HA HIS B 10 1.177 1.597 -8.684 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.341 4.065 -7.470 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.704 3.766 -9.159 1.00 0.00 H new ATOM 0 HD2 HIS B 10 0.872 5.823 -10.310 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -3.182 6.027 -8.991 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -1.384 7.006 -10.553 1.00 0.00 H new ATOM 464 N LEU B 11 -0.911 1.585 -6.330 1.00 0.00 N ATOM 465 CA LEU B 11 -1.094 1.253 -4.895 1.00 0.00 C ATOM 466 C LEU B 11 -1.151 -0.250 -4.812 1.00 0.00 C ATOM 467 O LEU B 11 -0.508 -0.884 -3.999 1.00 0.00 O ATOM 468 CB LEU B 11 -2.401 1.845 -4.369 1.00 0.00 C ATOM 469 CG LEU B 11 -2.100 3.098 -3.555 1.00 0.00 C ATOM 470 CD1 LEU B 11 -3.390 3.613 -2.922 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.108 2.747 -2.451 1.00 0.00 C ATOM 0 H LEU B 11 -1.744 1.489 -6.910 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.281 1.662 -4.295 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -3.063 2.089 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.921 1.113 -3.751 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.679 3.866 -4.204 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.177 4.509 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -4.109 3.852 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.806 2.846 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.887 3.638 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.539 1.983 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.188 2.368 -2.896 1.00 0.00 H new ATOM 483 N VAL B 12 -1.889 -0.818 -5.705 1.00 0.00 N ATOM 484 CA VAL B 12 -1.983 -2.283 -5.772 1.00 0.00 C ATOM 485 C VAL B 12 -0.666 -2.762 -6.348 1.00 0.00 C ATOM 486 O VAL B 12 -0.161 -3.818 -6.026 1.00 0.00 O ATOM 487 CB VAL B 12 -3.133 -2.661 -6.707 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.333 -1.757 -6.427 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.688 -2.478 -8.164 1.00 0.00 C ATOM 0 H VAL B 12 -2.440 -0.319 -6.403 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.170 -2.731 -4.796 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.412 -3.701 -6.539 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.154 -2.025 -7.093 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.650 -1.883 -5.392 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.053 -0.717 -6.597 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.507 -2.747 -8.831 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.410 -1.437 -8.332 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.830 -3.119 -8.366 1.00 0.00 H new ATOM 499 N GLU B 13 -0.106 -1.952 -7.198 1.00 0.00 N ATOM 500 CA GLU B 13 1.188 -2.300 -7.808 1.00 0.00 C ATOM 501 C GLU B 13 2.246 -2.144 -6.726 1.00 0.00 C ATOM 502 O GLU B 13 3.172 -2.924 -6.614 1.00 0.00 O ATOM 503 CB GLU B 13 1.488 -1.356 -8.975 1.00 0.00 C ATOM 504 CG GLU B 13 0.634 -1.748 -10.181 1.00 0.00 C ATOM 505 CD GLU B 13 1.472 -1.643 -11.457 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.179 -0.658 -11.598 1.00 0.00 O ATOM 507 OE2 GLU B 13 1.395 -2.550 -12.269 1.00 0.00 O ATOM 0 H GLU B 13 -0.498 -1.058 -7.494 1.00 0.00 H new ATOM 0 HA GLU B 13 1.175 -3.319 -8.195 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.278 -0.326 -8.687 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.546 -1.405 -9.234 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.262 -2.765 -10.061 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.237 -1.096 -10.251 1.00 0.00 H new ATOM 514 N ALA B 14 2.084 -1.142 -5.907 1.00 0.00 N ATOM 515 CA ALA B 14 3.037 -0.918 -4.795 1.00 0.00 C ATOM 516 C ALA B 14 2.903 -2.081 -3.818 1.00 0.00 C ATOM 517 O ALA B 14 3.879 -2.662 -3.388 1.00 0.00 O ATOM 518 CB ALA B 14 2.685 0.394 -4.092 1.00 0.00 C ATOM 0 H ALA B 14 1.323 -0.465 -5.965 1.00 0.00 H new ATOM 0 HA ALA B 14 4.060 -0.858 -5.167 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.382 0.566 -3.272 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.751 1.217 -4.803 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.670 0.335 -3.699 1.00 0.00 H new ATOM 524 N LEU B 15 1.692 -2.438 -3.481 1.00 0.00 N ATOM 525 CA LEU B 15 1.489 -3.577 -2.550 1.00 0.00 C ATOM 526 C LEU B 15 1.936 -4.857 -3.242 1.00 0.00 C ATOM 527 O LEU B 15 2.663 -5.660 -2.692 1.00 0.00 O ATOM 528 CB LEU B 15 0.007 -3.700 -2.180 1.00 0.00 C ATOM 529 CG LEU B 15 -0.494 -2.455 -1.426 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.473 -2.900 -0.346 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.663 -1.709 -0.754 1.00 0.00 C ATOM 0 H LEU B 15 0.838 -1.988 -3.812 1.00 0.00 H new ATOM 0 HA LEU B 15 2.069 -3.410 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.584 -3.840 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.142 -4.585 -1.562 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.972 -1.786 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.837 -2.028 0.197 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.314 -3.417 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.969 -3.574 0.346 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.277 -0.835 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.157 -2.370 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.379 -1.391 -1.511 1.00 0.00 H new ATOM 543 N TYR B 16 1.507 -5.052 -4.450 1.00 0.00 N ATOM 544 CA TYR B 16 1.913 -6.282 -5.179 1.00 0.00 C ATOM 545 C TYR B 16 3.438 -6.329 -5.255 1.00 0.00 C ATOM 546 O TYR B 16 4.027 -7.366 -5.491 1.00 0.00 O ATOM 547 CB TYR B 16 1.323 -6.268 -6.592 1.00 0.00 C ATOM 548 CG TYR B 16 2.011 -7.317 -7.432 1.00 0.00 C ATOM 549 CD1 TYR B 16 2.086 -8.638 -6.974 1.00 0.00 C ATOM 550 CD2 TYR B 16 2.581 -6.968 -8.661 1.00 0.00 C ATOM 551 CE1 TYR B 16 2.730 -9.613 -7.747 1.00 0.00 C ATOM 552 CE2 TYR B 16 3.225 -7.941 -9.435 1.00 0.00 C ATOM 553 CZ TYR B 16 3.300 -9.264 -8.978 1.00 0.00 C ATOM 554 OH TYR B 16 3.935 -10.222 -9.741 1.00 0.00 O ATOM 0 H TYR B 16 0.896 -4.418 -4.965 1.00 0.00 H new ATOM 0 HA TYR B 16 1.542 -7.162 -4.653 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.251 -6.463 -6.553 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.452 -5.284 -7.042 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.647 -8.906 -6.024 1.00 0.00 H new ATOM 0 HD2 TYR B 16 2.524 -5.948 -9.013 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.787 -10.632 -7.394 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.664 -7.672 -10.384 1.00 0.00 H new ATOM 0 HH TYR B 16 4.273 -9.813 -10.565 1.00 0.00 H new ATOM 564 N LEU B 17 4.081 -5.216 -5.052 1.00 0.00 N ATOM 565 CA LEU B 17 5.566 -5.200 -5.109 1.00 0.00 C ATOM 566 C LEU B 17 6.119 -5.343 -3.693 1.00 0.00 C ATOM 567 O LEU B 17 7.204 -5.853 -3.487 1.00 0.00 O ATOM 568 CB LEU B 17 6.046 -3.887 -5.729 1.00 0.00 C ATOM 569 CG LEU B 17 7.213 -4.170 -6.678 1.00 0.00 C ATOM 570 CD1 LEU B 17 6.794 -5.221 -7.707 1.00 0.00 C ATOM 571 CD2 LEU B 17 7.600 -2.882 -7.403 1.00 0.00 C ATOM 0 H LEU B 17 3.643 -4.317 -4.849 1.00 0.00 H new ATOM 0 HA LEU B 17 5.921 -6.027 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.230 -3.408 -6.271 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.358 -3.195 -4.947 1.00 0.00 H new ATOM 0 HG LEU B 17 8.063 -4.540 -6.105 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.626 -5.421 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.513 -6.141 -7.194 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.943 -4.851 -8.279 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.431 -3.081 -8.080 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.747 -2.516 -7.974 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.898 -2.129 -6.673 1.00 0.00 H new ATOM 583 N VAL B 18 5.376 -4.915 -2.709 1.00 0.00 N ATOM 584 CA VAL B 18 5.859 -5.048 -1.308 1.00 0.00 C ATOM 585 C VAL B 18 5.508 -6.441 -0.797 1.00 0.00 C ATOM 586 O VAL B 18 6.285 -7.086 -0.122 1.00 0.00 O ATOM 587 CB VAL B 18 5.198 -3.984 -0.424 1.00 0.00 C ATOM 588 CG1 VAL B 18 5.165 -2.649 -1.168 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.769 -4.410 -0.076 1.00 0.00 C ATOM 0 H VAL B 18 4.459 -4.481 -2.815 1.00 0.00 H new ATOM 0 HA VAL B 18 6.939 -4.905 -1.275 1.00 0.00 H new ATOM 0 HB VAL B 18 5.774 -3.875 0.495 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.695 -1.893 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.183 -2.340 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.594 -2.760 -2.090 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.305 -3.649 0.552 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.190 -4.526 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.793 -5.359 0.460 1.00 0.00 H new ATOM 599 N CYS B 19 4.338 -6.911 -1.122 1.00 0.00 N ATOM 600 CA CYS B 19 3.927 -8.266 -0.664 1.00 0.00 C ATOM 601 C CYS B 19 4.385 -9.305 -1.689 1.00 0.00 C ATOM 602 O CYS B 19 4.390 -10.492 -1.427 1.00 0.00 O ATOM 603 CB CYS B 19 2.406 -8.315 -0.526 1.00 0.00 C ATOM 604 SG CYS B 19 1.875 -7.058 0.662 1.00 0.00 S ATOM 0 H CYS B 19 3.647 -6.415 -1.686 1.00 0.00 H new ATOM 0 HA CYS B 19 4.384 -8.483 0.302 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.935 -8.140 -1.493 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.091 -9.304 -0.193 1.00 0.00 H new ATOM 609 N GLY B 20 4.772 -8.867 -2.857 1.00 0.00 N ATOM 610 CA GLY B 20 5.233 -9.828 -3.897 1.00 0.00 C ATOM 611 C GLY B 20 4.062 -10.710 -4.332 1.00 0.00 C ATOM 612 O GLY B 20 2.947 -10.250 -4.481 1.00 0.00 O ATOM 0 H GLY B 20 4.788 -7.886 -3.135 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.633 -9.288 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY B 20 6.041 -10.445 -3.504 1.00 0.00 H new ATOM 616 N GLU B 21 4.307 -11.974 -4.538 1.00 0.00 N ATOM 617 CA GLU B 21 3.208 -12.887 -4.964 1.00 0.00 C ATOM 618 C GLU B 21 2.173 -12.996 -3.845 1.00 0.00 C ATOM 619 O GLU B 21 1.010 -13.252 -4.086 1.00 0.00 O ATOM 620 CB GLU B 21 3.786 -14.273 -5.266 1.00 0.00 C ATOM 621 CG GLU B 21 4.269 -14.320 -6.717 1.00 0.00 C ATOM 622 CD GLU B 21 4.879 -15.692 -7.008 1.00 0.00 C ATOM 623 OE1 GLU B 21 4.954 -16.492 -6.090 1.00 0.00 O ATOM 624 OE2 GLU B 21 5.261 -15.919 -8.144 1.00 0.00 O ATOM 0 H GLU B 21 5.220 -12.415 -4.430 1.00 0.00 H new ATOM 0 HA GLU B 21 2.731 -12.490 -5.860 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.613 -14.489 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.029 -15.039 -5.099 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.437 -14.129 -7.395 1.00 0.00 H new ATOM 0 HG3 GLU B 21 5.008 -13.538 -6.891 1.00 0.00 H new ATOM 631 N ARG B 22 2.583 -12.802 -2.620 1.00 0.00 N ATOM 632 CA ARG B 22 1.615 -12.892 -1.490 1.00 0.00 C ATOM 633 C ARG B 22 0.419 -11.988 -1.783 1.00 0.00 C ATOM 634 O ARG B 22 -0.654 -12.161 -1.239 1.00 0.00 O ATOM 635 CB ARG B 22 2.297 -12.439 -0.198 1.00 0.00 C ATOM 636 CG ARG B 22 3.655 -13.132 -0.069 1.00 0.00 C ATOM 637 CD ARG B 22 3.750 -13.825 1.292 1.00 0.00 C ATOM 638 NE ARG B 22 2.607 -14.769 1.448 1.00 0.00 N ATOM 639 CZ ARG B 22 1.848 -14.706 2.508 1.00 0.00 C ATOM 640 NH1 ARG B 22 2.245 -15.246 3.628 1.00 0.00 N ATOM 641 NH2 ARG B 22 0.692 -14.103 2.448 1.00 0.00 N ATOM 0 H ARG B 22 3.544 -12.586 -2.354 1.00 0.00 H new ATOM 0 HA ARG B 22 1.276 -13.922 -1.376 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.428 -11.357 -0.203 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.670 -12.680 0.661 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.780 -13.861 -0.869 1.00 0.00 H new ATOM 0 HG3 ARG B 22 4.458 -12.403 -0.174 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.694 -14.363 1.373 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.736 -13.084 2.091 1.00 0.00 H new ATOM 0 HE ARG B 22 2.418 -15.464 0.726 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.148 -15.717 3.675 1.00 0.00 H new ATOM 0 HH12 ARG B 22 1.652 -15.197 4.456 1.00 0.00 H new ATOM 0 HH21 ARG B 22 0.382 -13.681 1.573 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.099 -14.054 3.276 1.00 0.00 H new ATOM 655 N GLY B 23 0.598 -11.025 -2.640 1.00 0.00 N ATOM 656 CA GLY B 23 -0.520 -10.104 -2.981 1.00 0.00 C ATOM 657 C GLY B 23 -0.957 -9.340 -1.730 1.00 0.00 C ATOM 658 O GLY B 23 -0.203 -9.185 -0.790 1.00 0.00 O ATOM 0 H GLY B 23 1.476 -10.835 -3.122 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -0.205 -9.404 -3.755 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -1.359 -10.669 -3.386 1.00 0.00 H new ATOM 662 N PHE B 24 -2.169 -8.857 -1.714 1.00 0.00 N ATOM 663 CA PHE B 24 -2.653 -8.098 -0.526 1.00 0.00 C ATOM 664 C PHE B 24 -4.170 -7.931 -0.610 1.00 0.00 C ATOM 665 O PHE B 24 -4.826 -8.539 -1.434 1.00 0.00 O ATOM 666 CB PHE B 24 -1.991 -6.720 -0.507 1.00 0.00 C ATOM 667 CG PHE B 24 -2.056 -6.121 -1.889 1.00 0.00 C ATOM 668 CD1 PHE B 24 -1.072 -6.432 -2.836 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.104 -5.256 -2.228 1.00 0.00 C ATOM 670 CE1 PHE B 24 -1.135 -5.878 -4.120 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.167 -4.701 -3.513 1.00 0.00 C ATOM 672 CZ PHE B 24 -2.182 -5.012 -4.459 1.00 0.00 C ATOM 0 H PHE B 24 -2.845 -8.955 -2.472 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.399 -8.641 0.384 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.496 -6.070 0.208 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.954 -6.806 -0.183 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.264 -7.100 -2.575 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.864 -5.017 -1.499 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.376 -6.119 -4.850 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.975 -4.034 -3.774 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.230 -4.584 -5.449 1.00 0.00 H new ATOM 682 N PHE B 25 -4.731 -7.110 0.231 1.00 0.00 N ATOM 683 CA PHE B 25 -6.205 -6.900 0.198 1.00 0.00 C ATOM 684 C PHE B 25 -6.512 -5.537 -0.418 1.00 0.00 C ATOM 685 O PHE B 25 -7.358 -5.407 -1.279 1.00 0.00 O ATOM 686 CB PHE B 25 -6.762 -6.957 1.622 1.00 0.00 C ATOM 687 CG PHE B 25 -8.270 -7.014 1.573 1.00 0.00 C ATOM 688 CD1 PHE B 25 -8.909 -7.900 0.695 1.00 0.00 C ATOM 689 CD2 PHE B 25 -9.029 -6.182 2.404 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.309 -7.954 0.652 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.428 -6.235 2.360 1.00 0.00 C ATOM 692 CZ PHE B 25 -11.067 -7.120 1.484 1.00 0.00 C ATOM 0 H PHE B 25 -4.232 -6.574 0.941 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.670 -7.682 -0.403 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.371 -7.832 2.141 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.439 -6.081 2.185 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.323 -8.540 0.052 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.536 -5.499 3.080 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.803 -8.638 -0.022 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.013 -5.593 3.002 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.146 -7.160 1.449 1.00 0.00 H new ATOM 702 N TYR B 26 -5.823 -4.526 0.016 1.00 0.00 N ATOM 703 CA TYR B 26 -6.058 -3.161 -0.536 1.00 0.00 C ATOM 704 C TYR B 26 -7.540 -2.798 -0.406 1.00 0.00 C ATOM 705 O TYR B 26 -8.382 -3.325 -1.104 1.00 0.00 O ATOM 706 CB TYR B 26 -5.652 -3.129 -2.011 1.00 0.00 C ATOM 707 CG TYR B 26 -5.798 -1.726 -2.542 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.314 -0.642 -1.797 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.416 -1.506 -3.779 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.452 0.663 -2.290 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.552 -0.202 -4.271 1.00 0.00 C ATOM 712 CZ TYR B 26 -6.070 0.882 -3.527 1.00 0.00 C ATOM 713 OH TYR B 26 -6.208 2.165 -4.011 1.00 0.00 O ATOM 0 H TYR B 26 -5.101 -4.582 0.734 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.461 -2.440 0.022 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.622 -3.466 -2.123 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.276 -3.814 -2.586 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.835 -0.812 -0.844 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.788 -2.342 -4.353 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.082 1.499 -1.716 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.029 -0.032 -5.225 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.342 2.485 -4.340 1.00 0.00 H new ATOM 723 N THR B 27 -7.863 -1.898 0.483 1.00 0.00 N ATOM 724 CA THR B 27 -9.290 -1.500 0.656 1.00 0.00 C ATOM 725 C THR B 27 -9.604 -0.318 -0.265 1.00 0.00 C ATOM 726 O THR B 27 -8.739 0.201 -0.941 1.00 0.00 O ATOM 727 CB THR B 27 -9.531 -1.094 2.112 1.00 0.00 C ATOM 728 OG1 THR B 27 -8.793 0.085 2.401 1.00 0.00 O ATOM 729 CG2 THR B 27 -9.079 -2.222 3.040 1.00 0.00 C ATOM 0 H THR B 27 -7.202 -1.422 1.096 1.00 0.00 H new ATOM 0 HA THR B 27 -9.937 -2.339 0.401 1.00 0.00 H new ATOM 0 HB THR B 27 -10.593 -0.905 2.266 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.947 0.348 3.332 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.251 -1.932 4.076 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.646 -3.126 2.817 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.017 -2.414 2.889 1.00 0.00 H new ATOM 737 N LYS B 28 -10.837 0.112 -0.296 1.00 0.00 N ATOM 738 CA LYS B 28 -11.204 1.261 -1.173 1.00 0.00 C ATOM 739 C LYS B 28 -11.932 2.324 -0.344 1.00 0.00 C ATOM 740 O LYS B 28 -12.426 2.039 0.728 1.00 0.00 O ATOM 741 CB LYS B 28 -12.125 0.774 -2.294 1.00 0.00 C ATOM 742 CG LYS B 28 -11.314 0.589 -3.577 1.00 0.00 C ATOM 743 CD LYS B 28 -12.162 -0.150 -4.617 1.00 0.00 C ATOM 744 CE LYS B 28 -11.485 -1.471 -4.981 1.00 0.00 C ATOM 745 NZ LYS B 28 -12.495 -2.409 -5.545 1.00 0.00 N ATOM 0 H LYS B 28 -11.605 -0.282 0.247 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.300 1.691 -1.605 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.595 -0.167 -2.010 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.927 1.494 -2.459 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.005 1.559 -3.967 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.405 0.025 -3.367 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.160 -0.338 -4.221 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.283 0.466 -5.508 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -10.690 -1.297 -5.706 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.020 -1.909 -4.098 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -12.034 -3.308 -5.793 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.238 -2.584 -4.839 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.919 -1.991 -6.398 1.00 0.00 H new ATOM 759 N PRO B 29 -11.973 3.521 -0.871 1.00 0.00 N ATOM 760 CA PRO B 29 -12.635 4.656 -0.208 1.00 0.00 C ATOM 761 C PRO B 29 -14.153 4.561 -0.368 1.00 0.00 C ATOM 762 O PRO B 29 -14.773 5.377 -1.020 1.00 0.00 O ATOM 763 CB PRO B 29 -12.087 5.876 -0.944 1.00 0.00 C ATOM 764 CG PRO B 29 -11.598 5.370 -2.322 1.00 0.00 C ATOM 765 CD PRO B 29 -11.368 3.853 -2.177 1.00 0.00 C ATOM 0 HA PRO B 29 -12.445 4.691 0.865 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.858 6.638 -1.061 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.270 6.332 -0.385 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -12.337 5.578 -3.096 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.678 5.875 -2.616 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.841 3.299 -2.988 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.306 3.607 -2.199 1.00 0.00 H new ATOM 773 N THR B 30 -14.749 3.567 0.221 1.00 0.00 N ATOM 774 CA THR B 30 -16.227 3.408 0.112 1.00 0.00 C ATOM 775 C THR B 30 -16.615 3.252 -1.360 1.00 0.00 C ATOM 776 O THR B 30 -17.022 2.164 -1.733 1.00 0.00 O ATOM 777 CB THR B 30 -16.919 4.642 0.695 1.00 0.00 C ATOM 778 OG1 THR B 30 -16.974 5.664 -0.291 1.00 0.00 O ATOM 779 CG2 THR B 30 -16.138 5.143 1.909 1.00 0.00 C ATOM 780 OXT THR B 30 -16.499 4.223 -2.088 1.00 0.00 O ATOM 0 H THR B 30 -14.277 2.853 0.776 1.00 0.00 H new ATOM 0 HA THR B 30 -16.539 2.523 0.666 1.00 0.00 H new ATOM 0 HB THR B 30 -17.931 4.379 1.002 1.00 0.00 H new ATOM 0 HG1 THR B 30 -16.291 5.497 -0.974 1.00 0.00 H new ATOM 0 HG21 THR B 30 -16.633 6.022 2.322 1.00 0.00 H new ATOM 0 HG22 THR B 30 -16.099 4.359 2.665 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.124 5.406 1.606 1.00 0.00 H new TER 788 THR B 30