USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 545 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 57 CYS SG : rot 170:sc= -3.17! USER MOD Set 1.2: A 59 GLN : amide:sc=-0.00133 K(o=-3.2,f=-4.9) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -72:sc= 0.668 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 20 SER OG : rot 103:sc= 0.692 USER MOD Single : A 21 CYS SG : rot 11:sc= -6.01! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -130:sc= -1.39 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.704 K(o=-0.7,f=-3.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 144:sc= -1.42 (180deg=-2.43) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 170:sc= 0.0717 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00215 USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= -0.105 (180deg=-0.286) USER MOD Single : A 51 TYR OH : rot 30:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.914 K(o=-0.91,f=-3.1!) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.061 X(o=-0.061,f=-0.04) USER MOD Single : A 64 GLN : amide:sc= -0.4 K(o=-0.4,f=-1.6) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 3.095 -10.449 -1.851 1.00 0.00 N ATOM 72 CA VAL A 6 2.599 -9.507 -0.867 1.00 0.00 C ATOM 73 C VAL A 6 3.629 -8.427 -0.592 1.00 0.00 C ATOM 74 O VAL A 6 4.784 -8.719 -0.273 1.00 0.00 O ATOM 75 CB VAL A 6 2.231 -10.213 0.459 1.00 0.00 C ATOM 76 CG1 VAL A 6 1.718 -9.208 1.479 1.00 0.00 C ATOM 77 CG2 VAL A 6 1.200 -11.307 0.217 1.00 0.00 C ATOM 0 HA VAL A 6 1.699 -9.053 -1.281 1.00 0.00 H new ATOM 0 HB VAL A 6 3.133 -10.676 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.465 -9.726 2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.491 -8.465 1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.830 -8.712 1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.955 -11.791 1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.298 -10.869 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.608 -12.045 -0.474 1.00 0.00 H new ATOM 87 N ALA A 7 3.215 -7.186 -0.721 1.00 0.00 N ATOM 88 CA ALA A 7 4.101 -6.073 -0.498 1.00 0.00 C ATOM 89 C ALA A 7 3.446 -5.022 0.362 1.00 0.00 C ATOM 90 O ALA A 7 2.228 -4.836 0.319 1.00 0.00 O ATOM 91 CB ALA A 7 4.514 -5.462 -1.821 1.00 0.00 C ATOM 0 H ALA A 7 2.264 -6.925 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 7 4.984 -6.445 0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.184 -4.621 -1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.027 -6.212 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.629 -5.113 -2.353 1.00 0.00 H new ATOM 97 N THR A 8 4.247 -4.351 1.152 1.00 0.00 N ATOM 98 CA THR A 8 3.774 -3.261 1.959 1.00 0.00 C ATOM 99 C THR A 8 4.571 -2.022 1.626 1.00 0.00 C ATOM 100 O THR A 8 5.773 -2.100 1.364 1.00 0.00 O ATOM 101 CB THR A 8 3.894 -3.565 3.473 1.00 0.00 C ATOM 102 OG1 THR A 8 5.251 -3.896 3.804 1.00 0.00 O ATOM 103 CG2 THR A 8 2.981 -4.709 3.874 1.00 0.00 C ATOM 0 H THR A 8 5.243 -4.547 1.252 1.00 0.00 H new ATOM 0 HA THR A 8 2.718 -3.109 1.738 1.00 0.00 H new ATOM 0 HB THR A 8 3.592 -2.672 4.020 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.317 -4.085 4.763 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.086 -4.901 4.942 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.947 -4.444 3.653 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.254 -5.605 3.316 1.00 0.00 H new ATOM 111 N SER A 9 3.923 -0.896 1.628 1.00 0.00 N ATOM 112 CA SER A 9 4.588 0.339 1.317 1.00 0.00 C ATOM 113 C SER A 9 3.856 1.496 1.935 1.00 0.00 C ATOM 114 O SER A 9 2.687 1.371 2.322 1.00 0.00 O ATOM 115 CB SER A 9 4.698 0.515 -0.205 1.00 0.00 C ATOM 116 OG SER A 9 3.416 0.572 -0.806 1.00 0.00 O ATOM 0 H SER A 9 2.930 -0.804 1.842 1.00 0.00 H new ATOM 0 HA SER A 9 5.595 0.310 1.733 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.249 1.428 -0.430 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.266 -0.313 -0.630 1.00 0.00 H new ATOM 0 HG SER A 9 3.513 0.686 -1.774 1.00 0.00 H new ATOM 122 N THR A 10 4.531 2.603 2.040 1.00 0.00 N ATOM 123 CA THR A 10 3.945 3.788 2.576 1.00 0.00 C ATOM 124 C THR A 10 3.737 4.799 1.466 1.00 0.00 C ATOM 125 O THR A 10 4.663 5.133 0.737 1.00 0.00 O ATOM 126 CB THR A 10 4.830 4.385 3.693 1.00 0.00 C ATOM 127 OG1 THR A 10 6.204 4.408 3.271 1.00 0.00 O ATOM 128 CG2 THR A 10 4.706 3.573 4.973 1.00 0.00 C ATOM 0 H THR A 10 5.505 2.706 1.755 1.00 0.00 H new ATOM 0 HA THR A 10 2.980 3.534 3.015 1.00 0.00 H new ATOM 0 HB THR A 10 4.491 5.402 3.890 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.561 3.495 3.268 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.338 4.012 5.745 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.669 3.577 5.307 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.023 2.547 4.785 1.00 0.00 H new ATOM 136 N VAL A 11 2.529 5.268 1.326 1.00 0.00 N ATOM 137 CA VAL A 11 2.222 6.227 0.300 1.00 0.00 C ATOM 138 C VAL A 11 1.749 7.519 0.928 1.00 0.00 C ATOM 139 O VAL A 11 0.799 7.532 1.709 1.00 0.00 O ATOM 140 CB VAL A 11 1.160 5.676 -0.706 1.00 0.00 C ATOM 141 CG1 VAL A 11 -0.115 5.241 0.007 1.00 0.00 C ATOM 142 CG2 VAL A 11 0.848 6.705 -1.785 1.00 0.00 C ATOM 0 H VAL A 11 1.737 5.001 1.911 1.00 0.00 H new ATOM 0 HA VAL A 11 3.132 6.420 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 11 1.589 4.795 -1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.830 4.864 -0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.120 4.455 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.548 6.093 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.107 6.298 -2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.455 7.610 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.759 6.944 -2.334 1.00 0.00 H new ATOM 152 N ARG A 12 2.432 8.601 0.620 1.00 0.00 N ATOM 153 CA ARG A 12 2.061 9.883 1.177 1.00 0.00 C ATOM 154 C ARG A 12 0.884 10.451 0.434 1.00 0.00 C ATOM 155 O ARG A 12 0.784 10.311 -0.788 1.00 0.00 O ATOM 156 CB ARG A 12 3.236 10.866 1.183 1.00 0.00 C ATOM 157 CG ARG A 12 3.771 11.207 -0.187 1.00 0.00 C ATOM 158 CD ARG A 12 4.947 12.167 -0.098 1.00 0.00 C ATOM 159 NE ARG A 12 6.071 11.592 0.649 1.00 0.00 N ATOM 160 CZ ARG A 12 7.199 12.247 0.936 1.00 0.00 C ATOM 161 NH1 ARG A 12 7.373 13.498 0.518 1.00 0.00 N ATOM 162 NH2 ARG A 12 8.150 11.652 1.647 1.00 0.00 N ATOM 0 H ARG A 12 3.238 8.619 -0.005 1.00 0.00 H new ATOM 0 HA ARG A 12 1.775 9.725 2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.922 11.786 1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.044 10.444 1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.082 10.294 -0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.979 11.654 -0.788 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.277 12.430 -1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.626 13.090 0.384 1.00 0.00 H new ATOM 0 HE ARG A 12 5.985 10.628 0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.643 13.961 -0.024 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.236 13.994 0.740 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.019 10.695 1.974 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.011 12.152 1.866 1.00 0.00 H new ATOM 176 N ILE A 13 0.004 11.080 1.166 1.00 0.00 N ATOM 177 CA ILE A 13 -1.196 11.652 0.607 1.00 0.00 C ATOM 178 C ILE A 13 -1.190 13.169 0.767 1.00 0.00 C ATOM 179 O ILE A 13 -1.368 13.707 1.867 1.00 0.00 O ATOM 180 CB ILE A 13 -2.471 11.018 1.229 1.00 0.00 C ATOM 181 CG1 ILE A 13 -2.402 11.031 2.766 1.00 0.00 C ATOM 182 CG2 ILE A 13 -2.663 9.597 0.710 1.00 0.00 C ATOM 183 CD1 ILE A 13 -3.657 10.516 3.441 1.00 0.00 C ATOM 0 H ILE A 13 0.098 11.212 2.173 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.215 11.425 -0.459 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.331 11.617 0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.554 10.426 3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.212 12.050 3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.560 9.165 1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.769 9.617 -0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.798 8.991 0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.531 10.556 4.523 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.506 11.135 3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.838 9.486 3.135 1.00 0.00 H new ATOM 195 N LEU A 14 -0.969 13.846 -0.335 1.00 0.00 N ATOM 196 CA LEU A 14 -0.830 15.281 -0.343 1.00 0.00 C ATOM 197 C LEU A 14 -1.980 15.933 -1.104 1.00 0.00 C ATOM 198 O LEU A 14 -2.282 15.556 -2.237 1.00 0.00 O ATOM 199 CB LEU A 14 0.509 15.651 -0.979 1.00 0.00 C ATOM 200 CG LEU A 14 0.827 17.136 -1.057 1.00 0.00 C ATOM 201 CD1 LEU A 14 0.898 17.738 0.334 1.00 0.00 C ATOM 202 CD2 LEU A 14 2.127 17.354 -1.798 1.00 0.00 C ATOM 0 H LEU A 14 -0.880 13.414 -1.255 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.859 15.648 0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.303 15.160 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.533 15.242 -1.989 1.00 0.00 H new ATOM 0 HG LEU A 14 0.028 17.635 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.126 18.801 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.060 17.607 0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.679 17.239 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.343 18.421 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.935 16.844 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.041 16.954 -2.808 1.00 0.00 H new ATOM 214 N GLY A 15 -2.619 16.900 -0.481 1.00 0.00 N ATOM 215 CA GLY A 15 -3.723 17.569 -1.116 1.00 0.00 C ATOM 216 C GLY A 15 -4.374 18.577 -0.210 1.00 0.00 C ATOM 217 O GLY A 15 -3.714 19.165 0.648 1.00 0.00 O ATOM 0 H GLY A 15 -2.393 17.235 0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.372 18.068 -2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.463 16.831 -1.427 1.00 0.00 H new ATOM 221 N MET A 16 -5.677 18.773 -0.394 1.00 0.00 N ATOM 222 CA MET A 16 -6.445 19.720 0.417 1.00 0.00 C ATOM 223 C MET A 16 -6.384 19.297 1.873 1.00 0.00 C ATOM 224 O MET A 16 -6.216 20.118 2.774 1.00 0.00 O ATOM 225 CB MET A 16 -7.905 19.707 -0.034 1.00 0.00 C ATOM 226 CG MET A 16 -8.135 20.224 -1.440 1.00 0.00 C ATOM 227 SD MET A 16 -9.850 20.040 -1.954 1.00 0.00 S ATOM 228 CE MET A 16 -9.764 20.589 -3.656 1.00 0.00 C ATOM 0 H MET A 16 -6.228 18.287 -1.101 1.00 0.00 H new ATOM 0 HA MET A 16 -6.027 20.720 0.299 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.282 18.686 0.030 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.492 20.308 0.661 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.852 21.275 -1.490 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.489 19.687 -2.134 1.00 0.00 H new ATOM 0 HE1 MET A 16 -10.754 20.531 -4.107 1.00 0.00 H new ATOM 0 HE2 MET A 16 -9.410 21.619 -3.688 1.00 0.00 H new ATOM 0 HE3 MET A 16 -9.075 19.951 -4.210 1.00 0.00 H new ATOM 238 N THR A 17 -6.536 18.010 2.083 1.00 0.00 N ATOM 239 CA THR A 17 -6.448 17.411 3.382 1.00 0.00 C ATOM 240 C THR A 17 -6.271 15.910 3.208 1.00 0.00 C ATOM 241 O THR A 17 -6.590 15.366 2.143 1.00 0.00 O ATOM 242 CB THR A 17 -7.701 17.713 4.250 1.00 0.00 C ATOM 243 OG1 THR A 17 -7.522 17.195 5.573 1.00 0.00 O ATOM 244 CG2 THR A 17 -8.951 17.106 3.636 1.00 0.00 C ATOM 0 H THR A 17 -6.728 17.342 1.336 1.00 0.00 H new ATOM 0 HA THR A 17 -5.593 17.837 3.908 1.00 0.00 H new ATOM 0 HB THR A 17 -7.824 18.795 4.294 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.316 17.392 6.112 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.812 17.333 4.264 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.107 17.524 2.641 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.832 16.025 3.561 1.00 0.00 H new ATOM 252 N CYS A 18 -5.764 15.250 4.225 1.00 0.00 N ATOM 253 CA CYS A 18 -5.538 13.820 4.167 1.00 0.00 C ATOM 254 C CYS A 18 -6.853 13.050 4.005 1.00 0.00 C ATOM 255 O CYS A 18 -6.922 12.075 3.253 1.00 0.00 O ATOM 256 CB CYS A 18 -4.782 13.349 5.406 1.00 0.00 C ATOM 257 SG CYS A 18 -3.061 13.906 5.471 1.00 0.00 S ATOM 0 H CYS A 18 -5.498 15.683 5.109 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.927 13.613 3.288 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.303 13.706 6.295 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.803 12.260 5.440 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.501 13.461 6.557 1.00 0.00 H new ATOM 263 N GLN A 19 -7.890 13.512 4.689 1.00 0.00 N ATOM 264 CA GLN A 19 -9.195 12.850 4.677 1.00 0.00 C ATOM 265 C GLN A 19 -9.802 12.754 3.267 1.00 0.00 C ATOM 266 O GLN A 19 -10.305 11.698 2.878 1.00 0.00 O ATOM 267 CB GLN A 19 -10.156 13.594 5.604 1.00 0.00 C ATOM 268 CG GLN A 19 -11.542 12.980 5.695 1.00 0.00 C ATOM 269 CD GLN A 19 -12.441 13.734 6.651 1.00 0.00 C ATOM 270 OE1 GLN A 19 -11.974 14.330 7.624 1.00 0.00 O ATOM 271 NE2 GLN A 19 -13.727 13.726 6.381 1.00 0.00 N ATOM 0 H GLN A 19 -7.855 14.352 5.267 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.042 11.830 5.029 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.722 13.631 6.603 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.250 14.624 5.259 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.997 12.967 4.705 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.457 11.943 6.020 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.074 13.221 5.566 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.378 14.225 6.987 1.00 0.00 H new ATOM 280 N SER A 20 -9.753 13.837 2.509 1.00 0.00 N ATOM 281 CA SER A 20 -10.344 13.843 1.180 1.00 0.00 C ATOM 282 C SER A 20 -9.570 12.953 0.206 1.00 0.00 C ATOM 283 O SER A 20 -10.163 12.209 -0.575 1.00 0.00 O ATOM 284 CB SER A 20 -10.442 15.278 0.649 1.00 0.00 C ATOM 285 OG SER A 20 -9.160 15.884 0.557 1.00 0.00 O ATOM 0 H SER A 20 -9.315 14.715 2.787 1.00 0.00 H new ATOM 0 HA SER A 20 -11.349 13.429 1.262 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.915 15.273 -0.333 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.079 15.869 1.307 1.00 0.00 H new ATOM 0 HG SER A 20 -8.866 15.888 -0.378 1.00 0.00 H new ATOM 291 N CYS A 21 -8.250 13.008 0.275 1.00 0.00 N ATOM 292 CA CYS A 21 -7.423 12.220 -0.612 1.00 0.00 C ATOM 293 C CYS A 21 -7.452 10.735 -0.258 1.00 0.00 C ATOM 294 O CYS A 21 -7.424 9.880 -1.149 1.00 0.00 O ATOM 295 CB CYS A 21 -5.997 12.755 -0.638 1.00 0.00 C ATOM 296 SG CYS A 21 -5.182 12.795 0.965 1.00 0.00 S ATOM 0 H CYS A 21 -7.733 13.589 0.935 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.841 12.313 -1.614 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.405 12.141 -1.317 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.009 13.764 -1.050 1.00 0.00 H new ATOM 0 HG CYS A 21 -5.894 12.137 1.831 1.00 0.00 H new ATOM 302 N VAL A 22 -7.533 10.418 1.038 1.00 0.00 N ATOM 303 CA VAL A 22 -7.590 9.027 1.448 1.00 0.00 C ATOM 304 C VAL A 22 -8.929 8.429 1.042 1.00 0.00 C ATOM 305 O VAL A 22 -9.013 7.268 0.682 1.00 0.00 O ATOM 306 CB VAL A 22 -7.334 8.826 2.974 1.00 0.00 C ATOM 307 CG1 VAL A 22 -8.487 9.343 3.820 1.00 0.00 C ATOM 308 CG2 VAL A 22 -7.054 7.364 3.278 1.00 0.00 C ATOM 0 H VAL A 22 -7.560 11.095 1.800 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.782 8.505 0.936 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.455 9.414 3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.265 9.182 4.875 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.624 10.409 3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.400 8.809 3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.878 7.242 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.911 6.760 2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.172 7.040 2.725 1.00 0.00 H new ATOM 318 N LYS A 23 -9.969 9.256 1.082 1.00 0.00 N ATOM 319 CA LYS A 23 -11.297 8.854 0.644 1.00 0.00 C ATOM 320 C LYS A 23 -11.254 8.502 -0.838 1.00 0.00 C ATOM 321 O LYS A 23 -11.819 7.496 -1.278 1.00 0.00 O ATOM 322 CB LYS A 23 -12.293 10.001 0.879 1.00 0.00 C ATOM 323 CG LYS A 23 -13.728 9.683 0.476 1.00 0.00 C ATOM 324 CD LYS A 23 -14.636 10.902 0.616 1.00 0.00 C ATOM 325 CE LYS A 23 -14.832 11.302 2.071 1.00 0.00 C ATOM 326 NZ LYS A 23 -15.736 12.472 2.203 1.00 0.00 N ATOM 0 H LYS A 23 -9.914 10.218 1.417 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.619 7.983 1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.276 10.269 1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.958 10.876 0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.747 9.331 -0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.109 8.872 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.207 11.739 0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.605 10.686 0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.244 10.460 2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.866 11.537 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.845 12.715 3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.331 13.283 1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.666 12.239 1.800 1.00 0.00 H new ATOM 340 N SER A 24 -10.538 9.329 -1.583 1.00 0.00 N ATOM 341 CA SER A 24 -10.414 9.196 -3.019 1.00 0.00 C ATOM 342 C SER A 24 -9.805 7.843 -3.405 1.00 0.00 C ATOM 343 O SER A 24 -10.339 7.127 -4.258 1.00 0.00 O ATOM 344 CB SER A 24 -9.518 10.328 -3.534 1.00 0.00 C ATOM 345 OG SER A 24 -9.373 10.275 -4.932 1.00 0.00 O ATOM 0 H SER A 24 -10.022 10.120 -1.199 1.00 0.00 H new ATOM 0 HA SER A 24 -11.406 9.254 -3.467 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.944 11.290 -3.248 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.538 10.261 -3.063 1.00 0.00 H new ATOM 0 HG SER A 24 -8.423 10.329 -5.165 1.00 0.00 H new ATOM 351 N ILE A 25 -8.699 7.500 -2.777 1.00 0.00 N ATOM 352 CA ILE A 25 -8.029 6.248 -3.052 1.00 0.00 C ATOM 353 C ILE A 25 -8.776 5.055 -2.440 1.00 0.00 C ATOM 354 O ILE A 25 -8.799 3.974 -3.022 1.00 0.00 O ATOM 355 CB ILE A 25 -6.549 6.276 -2.559 1.00 0.00 C ATOM 356 CG1 ILE A 25 -5.790 5.032 -3.033 1.00 0.00 C ATOM 357 CG2 ILE A 25 -6.472 6.408 -1.043 1.00 0.00 C ATOM 358 CD1 ILE A 25 -4.304 5.085 -2.746 1.00 0.00 C ATOM 0 H ILE A 25 -8.244 8.076 -2.069 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.027 6.121 -4.135 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.073 7.154 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.214 4.152 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.941 4.911 -4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.427 6.425 -0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.958 7.333 -0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.976 5.561 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.831 4.172 -3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.866 5.946 -3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.144 5.175 -1.672 1.00 0.00 H new ATOM 370 N GLU A 26 -9.421 5.277 -1.290 1.00 0.00 N ATOM 371 CA GLU A 26 -10.088 4.201 -0.554 1.00 0.00 C ATOM 372 C GLU A 26 -11.191 3.558 -1.389 1.00 0.00 C ATOM 373 O GLU A 26 -11.255 2.332 -1.497 1.00 0.00 O ATOM 374 CB GLU A 26 -10.656 4.751 0.774 1.00 0.00 C ATOM 375 CG GLU A 26 -11.113 3.691 1.782 1.00 0.00 C ATOM 376 CD GLU A 26 -12.469 3.091 1.487 1.00 0.00 C ATOM 377 OE1 GLU A 26 -13.350 3.808 0.974 1.00 0.00 O ATOM 378 OE2 GLU A 26 -12.668 1.897 1.798 1.00 0.00 O ATOM 0 H GLU A 26 -9.495 6.194 -0.849 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.353 3.427 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.895 5.372 1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.501 5.400 0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.373 2.891 1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.136 4.138 2.776 1.00 0.00 H new ATOM 385 N ASP A 27 -12.041 4.379 -2.002 1.00 0.00 N ATOM 386 CA ASP A 27 -13.127 3.852 -2.830 1.00 0.00 C ATOM 387 C ASP A 27 -12.593 3.073 -4.018 1.00 0.00 C ATOM 388 O ASP A 27 -13.071 1.977 -4.321 1.00 0.00 O ATOM 389 CB ASP A 27 -14.045 4.976 -3.328 1.00 0.00 C ATOM 390 CG ASP A 27 -14.916 5.564 -2.240 1.00 0.00 C ATOM 391 OD1 ASP A 27 -15.913 4.915 -1.859 1.00 0.00 O ATOM 392 OD2 ASP A 27 -14.618 6.678 -1.766 1.00 0.00 O ATOM 0 H ASP A 27 -12.002 5.397 -1.944 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.704 3.177 -2.199 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.435 5.768 -3.763 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -14.681 4.590 -4.124 1.00 0.00 H new ATOM 397 N ARG A 28 -11.584 3.630 -4.673 1.00 0.00 N ATOM 398 CA ARG A 28 -11.006 3.011 -5.860 1.00 0.00 C ATOM 399 C ARG A 28 -10.280 1.705 -5.537 1.00 0.00 C ATOM 400 O ARG A 28 -10.453 0.696 -6.231 1.00 0.00 O ATOM 401 CB ARG A 28 -10.046 3.988 -6.544 1.00 0.00 C ATOM 402 CG ARG A 28 -10.726 5.200 -7.182 1.00 0.00 C ATOM 403 CD ARG A 28 -11.511 4.819 -8.434 1.00 0.00 C ATOM 404 NE ARG A 28 -12.736 4.074 -8.133 1.00 0.00 N ATOM 405 CZ ARG A 28 -13.307 3.204 -8.969 1.00 0.00 C ATOM 406 NH1 ARG A 28 -12.753 2.953 -10.150 1.00 0.00 N ATOM 407 NH2 ARG A 28 -14.426 2.581 -8.620 1.00 0.00 N ATOM 0 H ARG A 28 -11.147 4.511 -4.403 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.828 2.768 -6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.320 4.338 -5.810 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.489 3.453 -7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.398 5.662 -6.459 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.973 5.945 -7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.768 5.724 -8.985 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.877 4.218 -9.086 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.180 4.230 -7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.890 3.425 -10.419 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.191 2.288 -10.788 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.851 2.767 -7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.861 1.917 -9.260 1.00 0.00 H new ATOM 421 N ILE A 29 -9.506 1.712 -4.464 1.00 0.00 N ATOM 422 CA ILE A 29 -8.721 0.547 -4.099 1.00 0.00 C ATOM 423 C ILE A 29 -9.613 -0.562 -3.543 1.00 0.00 C ATOM 424 O ILE A 29 -9.335 -1.734 -3.721 1.00 0.00 O ATOM 425 CB ILE A 29 -7.574 0.902 -3.102 1.00 0.00 C ATOM 426 CG1 ILE A 29 -6.548 -0.231 -3.039 1.00 0.00 C ATOM 427 CG2 ILE A 29 -8.122 1.202 -1.710 1.00 0.00 C ATOM 428 CD1 ILE A 29 -5.283 0.135 -2.288 1.00 0.00 C ATOM 0 H ILE A 29 -9.405 2.508 -3.834 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.249 0.178 -5.009 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.080 1.802 -3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.006 -1.098 -2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.285 -0.528 -4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.298 1.446 -1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.808 2.047 -1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.652 0.328 -1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.603 -0.717 -2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.802 0.982 -2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.534 0.403 -1.262 1.00 0.00 H new ATOM 440 N SER A 30 -10.684 -0.173 -2.865 1.00 0.00 N ATOM 441 CA SER A 30 -11.639 -1.129 -2.342 1.00 0.00 C ATOM 442 C SER A 30 -12.336 -1.873 -3.491 1.00 0.00 C ATOM 443 O SER A 30 -12.545 -3.088 -3.426 1.00 0.00 O ATOM 444 CB SER A 30 -12.660 -0.428 -1.440 1.00 0.00 C ATOM 445 OG SER A 30 -13.596 -1.346 -0.897 1.00 0.00 O ATOM 0 H SER A 30 -10.910 0.802 -2.666 1.00 0.00 H new ATOM 0 HA SER A 30 -11.104 -1.863 -1.739 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.140 0.084 -0.630 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.188 0.335 -2.012 1.00 0.00 H new ATOM 0 HG SER A 30 -14.231 -0.866 -0.326 1.00 0.00 H new ATOM 451 N ASN A 31 -12.689 -1.131 -4.543 1.00 0.00 N ATOM 452 CA ASN A 31 -13.362 -1.708 -5.712 1.00 0.00 C ATOM 453 C ASN A 31 -12.439 -2.629 -6.498 1.00 0.00 C ATOM 454 O ASN A 31 -12.900 -3.536 -7.193 1.00 0.00 O ATOM 455 CB ASN A 31 -13.909 -0.609 -6.633 1.00 0.00 C ATOM 456 CG ASN A 31 -15.118 0.108 -6.055 1.00 0.00 C ATOM 457 OD1 ASN A 31 -15.253 1.326 -6.183 1.00 0.00 O ATOM 458 ND2 ASN A 31 -16.017 -0.639 -5.443 1.00 0.00 N ATOM 0 H ASN A 31 -12.520 -0.127 -4.611 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.195 -2.301 -5.336 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -13.121 0.119 -6.827 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.180 -1.049 -7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.858 -0.211 -5.057 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.871 -1.645 -5.356 1.00 0.00 H new ATOM 465 N LEU A 32 -11.147 -2.393 -6.405 1.00 0.00 N ATOM 466 CA LEU A 32 -10.187 -3.218 -7.117 1.00 0.00 C ATOM 467 C LEU A 32 -9.628 -4.321 -6.206 1.00 0.00 C ATOM 468 O LEU A 32 -9.083 -4.046 -5.140 1.00 0.00 O ATOM 469 CB LEU A 32 -9.060 -2.343 -7.673 1.00 0.00 C ATOM 470 CG LEU A 32 -7.969 -3.067 -8.465 1.00 0.00 C ATOM 471 CD1 LEU A 32 -8.561 -3.775 -9.676 1.00 0.00 C ATOM 472 CD2 LEU A 32 -6.904 -2.080 -8.902 1.00 0.00 C ATOM 0 H LEU A 32 -10.737 -1.643 -5.848 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.694 -3.705 -7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.503 -1.583 -8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.589 -1.821 -6.840 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.514 -3.818 -7.820 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.768 -4.283 -10.224 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.299 -4.506 -9.345 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.041 -3.044 -10.326 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.131 -2.604 -9.465 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.355 -1.313 -9.532 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.459 -1.613 -8.024 1.00 0.00 H new ATOM 484 N LYS A 33 -9.798 -5.569 -6.625 1.00 0.00 N ATOM 485 CA LYS A 33 -9.304 -6.713 -5.865 1.00 0.00 C ATOM 486 C LYS A 33 -7.776 -6.756 -5.877 1.00 0.00 C ATOM 487 O LYS A 33 -7.142 -6.323 -6.836 1.00 0.00 O ATOM 488 CB LYS A 33 -9.892 -8.030 -6.400 1.00 0.00 C ATOM 489 CG LYS A 33 -9.552 -9.253 -5.548 1.00 0.00 C ATOM 490 CD LYS A 33 -10.167 -10.532 -6.106 1.00 0.00 C ATOM 491 CE LYS A 33 -11.685 -10.522 -5.982 1.00 0.00 C ATOM 492 NZ LYS A 33 -12.292 -11.795 -6.442 1.00 0.00 N ATOM 0 H LYS A 33 -10.277 -5.816 -7.491 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.633 -6.595 -4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.976 -7.933 -6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.527 -8.193 -7.414 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.469 -9.366 -5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.908 -9.095 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.887 -10.645 -7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.763 -11.393 -5.574 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.962 -10.344 -4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.090 -9.696 -6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.326 -11.744 -6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.050 -11.954 -7.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.926 -12.581 -5.868 1.00 0.00 H new ATOM 506 N GLY A 34 -7.201 -7.291 -4.815 1.00 0.00 N ATOM 507 CA GLY A 34 -5.763 -7.351 -4.697 1.00 0.00 C ATOM 508 C GLY A 34 -5.261 -6.573 -3.504 1.00 0.00 C ATOM 509 O GLY A 34 -4.060 -6.549 -3.226 1.00 0.00 O ATOM 0 H GLY A 34 -7.710 -7.688 -4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.449 -8.391 -4.610 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.308 -6.956 -5.605 1.00 0.00 H new ATOM 513 N ILE A 35 -6.179 -5.938 -2.791 1.00 0.00 N ATOM 514 CA ILE A 35 -5.834 -5.238 -1.569 1.00 0.00 C ATOM 515 C ILE A 35 -6.090 -6.135 -0.376 1.00 0.00 C ATOM 516 O ILE A 35 -7.156 -6.748 -0.262 1.00 0.00 O ATOM 517 CB ILE A 35 -6.621 -3.902 -1.389 1.00 0.00 C ATOM 518 CG1 ILE A 35 -6.286 -3.266 -0.024 1.00 0.00 C ATOM 519 CG2 ILE A 35 -8.121 -4.117 -1.537 1.00 0.00 C ATOM 520 CD1 ILE A 35 -6.936 -1.920 0.213 1.00 0.00 C ATOM 0 H ILE A 35 -7.167 -5.895 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.776 -4.984 -1.639 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.311 -3.216 -2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.594 -3.949 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.205 -3.153 0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.639 -3.167 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.336 -4.514 -2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.463 -4.824 -0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.648 -1.545 1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.609 -1.218 -0.554 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.020 -2.027 0.169 1.00 0.00 H new ATOM 532 N ILE A 36 -5.108 -6.240 0.488 1.00 0.00 N ATOM 533 CA ILE A 36 -5.243 -7.040 1.677 1.00 0.00 C ATOM 534 C ILE A 36 -5.734 -6.169 2.823 1.00 0.00 C ATOM 535 O ILE A 36 -6.785 -6.424 3.409 1.00 0.00 O ATOM 536 CB ILE A 36 -3.897 -7.696 2.054 1.00 0.00 C ATOM 537 CG1 ILE A 36 -3.410 -8.585 0.905 1.00 0.00 C ATOM 538 CG2 ILE A 36 -4.035 -8.506 3.338 1.00 0.00 C ATOM 539 CD1 ILE A 36 -2.003 -9.103 1.086 1.00 0.00 C ATOM 0 H ILE A 36 -4.204 -5.778 0.387 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.966 -7.832 1.484 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.161 -6.911 2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.088 -9.432 0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.462 -8.020 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.076 -8.960 3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.347 -7.850 4.150 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.781 -9.288 3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.731 -9.724 0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.312 -8.263 1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.949 -9.697 1.998 1.00 0.00 H new ATOM 551 N SER A 37 -4.978 -5.128 3.117 1.00 0.00 N ATOM 552 CA SER A 37 -5.329 -4.193 4.164 1.00 0.00 C ATOM 553 C SER A 37 -4.524 -2.912 4.018 1.00 0.00 C ATOM 554 O SER A 37 -3.533 -2.876 3.283 1.00 0.00 O ATOM 555 CB SER A 37 -5.102 -4.824 5.544 1.00 0.00 C ATOM 556 OG SER A 37 -3.743 -5.184 5.728 1.00 0.00 O ATOM 0 H SER A 37 -4.105 -4.909 2.637 1.00 0.00 H new ATOM 0 HA SER A 37 -6.387 -3.946 4.072 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.403 -4.122 6.321 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.732 -5.707 5.651 1.00 0.00 H new ATOM 0 HG SER A 37 -3.627 -5.582 6.616 1.00 0.00 H new ATOM 562 N MET A 38 -4.951 -1.865 4.690 1.00 0.00 N ATOM 563 CA MET A 38 -4.225 -0.613 4.672 1.00 0.00 C ATOM 564 C MET A 38 -4.509 0.176 5.932 1.00 0.00 C ATOM 565 O MET A 38 -5.611 0.110 6.488 1.00 0.00 O ATOM 566 CB MET A 38 -4.568 0.216 3.428 1.00 0.00 C ATOM 567 CG MET A 38 -6.011 0.672 3.359 1.00 0.00 C ATOM 568 SD MET A 38 -6.353 1.636 1.881 1.00 0.00 S ATOM 569 CE MET A 38 -8.067 2.046 2.147 1.00 0.00 C ATOM 0 H MET A 38 -5.799 -1.856 5.257 1.00 0.00 H new ATOM 0 HA MET A 38 -3.160 -0.843 4.633 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.921 1.093 3.401 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.343 -0.374 2.540 1.00 0.00 H new ATOM 0 HG2 MET A 38 -6.666 -0.199 3.382 1.00 0.00 H new ATOM 0 HG3 MET A 38 -6.244 1.269 4.241 1.00 0.00 H new ATOM 0 HE1 MET A 38 -8.263 3.051 1.773 1.00 0.00 H new ATOM 0 HE2 MET A 38 -8.698 1.332 1.618 1.00 0.00 H new ATOM 0 HE3 MET A 38 -8.289 2.006 3.213 1.00 0.00 H new ATOM 579 N LYS A 39 -3.523 0.923 6.372 1.00 0.00 N ATOM 580 CA LYS A 39 -3.628 1.709 7.584 1.00 0.00 C ATOM 581 C LYS A 39 -3.211 3.141 7.287 1.00 0.00 C ATOM 582 O LYS A 39 -2.274 3.368 6.532 1.00 0.00 O ATOM 583 CB LYS A 39 -2.751 1.078 8.673 1.00 0.00 C ATOM 584 CG LYS A 39 -3.193 -0.342 9.022 1.00 0.00 C ATOM 585 CD LYS A 39 -2.321 -0.990 10.082 1.00 0.00 C ATOM 586 CE LYS A 39 -2.801 -2.409 10.366 1.00 0.00 C ATOM 587 NZ LYS A 39 -1.975 -3.097 11.386 1.00 0.00 N ATOM 0 H LYS A 39 -2.622 1.004 5.900 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.656 1.723 7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.714 1.061 8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.786 1.698 9.569 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.225 -0.320 9.372 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.175 -0.954 8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.284 -1.010 9.747 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.349 -0.399 10.997 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.837 -2.377 10.704 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.785 -2.986 9.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.344 -4.057 11.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.991 -3.154 11.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.010 -2.564 12.278 1.00 0.00 H new ATOM 601 N VAL A 40 -3.894 4.095 7.878 1.00 0.00 N ATOM 602 CA VAL A 40 -3.659 5.497 7.566 1.00 0.00 C ATOM 603 C VAL A 40 -2.995 6.230 8.723 1.00 0.00 C ATOM 604 O VAL A 40 -3.457 6.154 9.867 1.00 0.00 O ATOM 605 CB VAL A 40 -4.987 6.211 7.210 1.00 0.00 C ATOM 606 CG1 VAL A 40 -4.750 7.678 6.870 1.00 0.00 C ATOM 607 CG2 VAL A 40 -5.688 5.495 6.065 1.00 0.00 C ATOM 0 H VAL A 40 -4.618 3.932 8.578 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.988 5.521 6.708 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.635 6.175 8.086 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.700 8.153 6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.303 8.182 7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.077 7.749 6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.619 6.011 5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.042 5.493 5.187 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.906 4.468 6.357 1.00 0.00 H new ATOM 617 N SER A 41 -1.905 6.924 8.425 1.00 0.00 N ATOM 618 CA SER A 41 -1.210 7.714 9.413 1.00 0.00 C ATOM 619 C SER A 41 -1.321 9.197 9.068 1.00 0.00 C ATOM 620 O SER A 41 -0.631 9.699 8.175 1.00 0.00 O ATOM 621 CB SER A 41 0.265 7.300 9.494 1.00 0.00 C ATOM 622 OG SER A 41 0.973 8.100 10.430 1.00 0.00 O ATOM 0 H SER A 41 -1.486 6.951 7.496 1.00 0.00 H new ATOM 0 HA SER A 41 -1.671 7.539 10.385 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.336 6.251 9.782 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.726 7.393 8.511 1.00 0.00 H new ATOM 0 HG SER A 41 1.862 7.716 10.582 1.00 0.00 H new ATOM 628 N LEU A 42 -2.203 9.888 9.764 1.00 0.00 N ATOM 629 CA LEU A 42 -2.391 11.315 9.564 1.00 0.00 C ATOM 630 C LEU A 42 -1.145 12.068 9.984 1.00 0.00 C ATOM 631 O LEU A 42 -0.763 13.060 9.363 1.00 0.00 O ATOM 632 CB LEU A 42 -3.594 11.818 10.356 1.00 0.00 C ATOM 633 CG LEU A 42 -4.954 11.279 9.920 1.00 0.00 C ATOM 634 CD1 LEU A 42 -6.037 11.764 10.858 1.00 0.00 C ATOM 635 CD2 LEU A 42 -5.266 11.690 8.490 1.00 0.00 C ATOM 0 H LEU A 42 -2.806 9.482 10.479 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.576 11.491 8.504 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.445 11.565 11.406 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.618 12.906 10.290 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.919 10.190 9.960 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.001 11.372 10.534 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.825 11.417 11.869 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.067 12.854 10.847 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.240 11.294 8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.281 12.778 8.419 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.501 11.293 7.822 1.00 0.00 H new ATOM 647 N GLU A 43 -0.515 11.575 11.042 1.00 0.00 N ATOM 648 CA GLU A 43 0.678 12.188 11.598 1.00 0.00 C ATOM 649 C GLU A 43 1.813 12.220 10.570 1.00 0.00 C ATOM 650 O GLU A 43 2.482 13.242 10.405 1.00 0.00 O ATOM 651 CB GLU A 43 1.110 11.418 12.845 1.00 0.00 C ATOM 652 CG GLU A 43 2.325 11.989 13.544 1.00 0.00 C ATOM 653 CD GLU A 43 2.657 11.239 14.809 1.00 0.00 C ATOM 654 OE1 GLU A 43 1.928 11.406 15.808 1.00 0.00 O ATOM 655 OE2 GLU A 43 3.642 10.472 14.813 1.00 0.00 O ATOM 0 H GLU A 43 -0.819 10.737 11.538 1.00 0.00 H new ATOM 0 HA GLU A 43 0.448 13.218 11.869 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.278 11.395 13.549 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.319 10.385 12.565 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.180 11.956 12.869 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.147 13.038 13.781 1.00 0.00 H new ATOM 662 N GLN A 44 2.012 11.112 9.868 1.00 0.00 N ATOM 663 CA GLN A 44 3.057 11.045 8.853 1.00 0.00 C ATOM 664 C GLN A 44 2.557 11.570 7.517 1.00 0.00 C ATOM 665 O GLN A 44 3.346 11.810 6.601 1.00 0.00 O ATOM 666 CB GLN A 44 3.563 9.617 8.680 1.00 0.00 C ATOM 667 CG GLN A 44 4.271 9.053 9.894 1.00 0.00 C ATOM 668 CD GLN A 44 4.797 7.654 9.652 1.00 0.00 C ATOM 669 OE1 GLN A 44 5.168 7.299 8.526 1.00 0.00 O ATOM 670 NE2 GLN A 44 4.832 6.850 10.694 1.00 0.00 N ATOM 0 H GLN A 44 1.470 10.255 9.980 1.00 0.00 H new ATOM 0 HA GLN A 44 3.880 11.673 9.195 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.719 8.973 8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.245 9.586 7.830 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.098 9.708 10.167 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.583 9.039 10.740 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.517 7.182 11.605 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.174 5.895 10.590 1.00 0.00 H new ATOM 679 N GLY A 45 1.248 11.746 7.406 1.00 0.00 N ATOM 680 CA GLY A 45 0.670 12.223 6.167 1.00 0.00 C ATOM 681 C GLY A 45 0.754 11.176 5.083 1.00 0.00 C ATOM 682 O GLY A 45 0.787 11.496 3.891 1.00 0.00 O ATOM 0 H GLY A 45 0.576 11.567 8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.372 12.497 6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.189 13.125 5.845 1.00 0.00 H new ATOM 686 N SER A 46 0.784 9.925 5.494 1.00 0.00 N ATOM 687 CA SER A 46 0.918 8.828 4.576 1.00 0.00 C ATOM 688 C SER A 46 0.141 7.616 5.065 1.00 0.00 C ATOM 689 O SER A 46 -0.233 7.531 6.236 1.00 0.00 O ATOM 690 CB SER A 46 2.401 8.480 4.392 1.00 0.00 C ATOM 691 OG SER A 46 2.991 8.076 5.618 1.00 0.00 O ATOM 0 H SER A 46 0.716 9.647 6.473 1.00 0.00 H new ATOM 0 HA SER A 46 0.503 9.126 3.613 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.501 7.681 3.657 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.934 9.345 3.997 1.00 0.00 H new ATOM 0 HG SER A 46 3.935 7.859 5.471 1.00 0.00 H new ATOM 697 N ALA A 47 -0.118 6.698 4.168 1.00 0.00 N ATOM 698 CA ALA A 47 -0.832 5.494 4.503 1.00 0.00 C ATOM 699 C ALA A 47 0.004 4.275 4.167 1.00 0.00 C ATOM 700 O ALA A 47 0.725 4.261 3.171 1.00 0.00 O ATOM 701 CB ALA A 47 -2.164 5.448 3.768 1.00 0.00 C ATOM 0 H ALA A 47 0.159 6.765 3.189 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.029 5.492 5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.693 4.532 4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.767 6.310 4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.987 5.469 2.693 1.00 0.00 H new ATOM 707 N THR A 48 -0.080 3.268 5.001 1.00 0.00 N ATOM 708 CA THR A 48 0.627 2.035 4.774 1.00 0.00 C ATOM 709 C THR A 48 -0.318 1.060 4.092 1.00 0.00 C ATOM 710 O THR A 48 -1.362 0.712 4.644 1.00 0.00 O ATOM 711 CB THR A 48 1.120 1.435 6.108 1.00 0.00 C ATOM 712 OG1 THR A 48 1.954 2.391 6.781 1.00 0.00 O ATOM 713 CG2 THR A 48 1.913 0.155 5.870 1.00 0.00 C ATOM 0 H THR A 48 -0.639 3.281 5.854 1.00 0.00 H new ATOM 0 HA THR A 48 1.497 2.225 4.146 1.00 0.00 H new ATOM 0 HB THR A 48 0.251 1.196 6.721 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.267 2.013 7.629 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.249 -0.248 6.825 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.280 -0.578 5.370 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.778 0.374 5.244 1.00 0.00 H new ATOM 721 N VAL A 49 0.038 0.633 2.901 1.00 0.00 N ATOM 722 CA VAL A 49 -0.824 -0.235 2.128 1.00 0.00 C ATOM 723 C VAL A 49 -0.197 -1.606 1.930 1.00 0.00 C ATOM 724 O VAL A 49 0.952 -1.723 1.488 1.00 0.00 O ATOM 725 CB VAL A 49 -1.153 0.384 0.743 1.00 0.00 C ATOM 726 CG1 VAL A 49 -2.055 -0.540 -0.066 1.00 0.00 C ATOM 727 CG2 VAL A 49 -1.800 1.754 0.907 1.00 0.00 C ATOM 0 H VAL A 49 0.919 0.872 2.446 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.748 -0.348 2.695 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.217 0.507 0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.271 -0.084 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.553 -1.495 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.987 -0.703 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.023 2.171 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.724 1.654 1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.117 2.418 1.437 1.00 0.00 H new ATOM 737 N LYS A 50 -0.948 -2.630 2.288 1.00 0.00 N ATOM 738 CA LYS A 50 -0.537 -4.000 2.104 1.00 0.00 C ATOM 739 C LYS A 50 -1.300 -4.532 0.892 1.00 0.00 C ATOM 740 O LYS A 50 -2.511 -4.790 0.965 1.00 0.00 O ATOM 741 CB LYS A 50 -0.868 -4.787 3.382 1.00 0.00 C ATOM 742 CG LYS A 50 -0.251 -6.170 3.488 1.00 0.00 C ATOM 743 CD LYS A 50 -0.468 -6.726 4.893 1.00 0.00 C ATOM 744 CE LYS A 50 0.301 -8.015 5.131 1.00 0.00 C ATOM 745 NZ LYS A 50 -0.215 -9.142 4.325 1.00 0.00 N ATOM 0 H LYS A 50 -1.867 -2.529 2.718 1.00 0.00 H new ATOM 0 HA LYS A 50 0.534 -4.096 1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.545 -4.199 4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.951 -4.887 3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.699 -6.836 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.815 -6.121 3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.160 -5.981 5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.532 -6.906 5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.353 -7.855 4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.248 -8.275 6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.423 -9.958 4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.164 -9.404 4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.268 -8.859 3.326 1.00 0.00 H new ATOM 759 N TYR A 51 -0.599 -4.688 -0.215 1.00 0.00 N ATOM 760 CA TYR A 51 -1.244 -4.991 -1.483 1.00 0.00 C ATOM 761 C TYR A 51 -0.493 -6.093 -2.231 1.00 0.00 C ATOM 762 O TYR A 51 0.638 -6.441 -1.872 1.00 0.00 O ATOM 763 CB TYR A 51 -1.273 -3.702 -2.332 1.00 0.00 C ATOM 764 CG TYR A 51 -2.325 -3.675 -3.418 1.00 0.00 C ATOM 765 CD1 TYR A 51 -3.593 -3.184 -3.156 1.00 0.00 C ATOM 766 CD2 TYR A 51 -2.053 -4.133 -4.697 1.00 0.00 C ATOM 767 CE1 TYR A 51 -4.563 -3.154 -4.135 1.00 0.00 C ATOM 768 CE2 TYR A 51 -3.017 -4.106 -5.680 1.00 0.00 C ATOM 769 CZ TYR A 51 -4.273 -3.615 -5.391 1.00 0.00 C ATOM 770 OH TYR A 51 -5.240 -3.591 -6.362 1.00 0.00 O ATOM 0 H TYR A 51 0.417 -4.610 -0.264 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.257 -5.348 -1.298 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.435 -2.852 -1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.294 -3.566 -2.792 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.826 -2.818 -2.167 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.070 -4.517 -4.927 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.547 -2.769 -3.912 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.791 -4.467 -6.672 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.852 -2.844 -6.196 1.00 0.00 H new ATOM 780 N VAL A 52 -1.133 -6.647 -3.254 1.00 0.00 N ATOM 781 CA VAL A 52 -0.524 -7.675 -4.080 1.00 0.00 C ATOM 782 C VAL A 52 -0.132 -7.090 -5.443 1.00 0.00 C ATOM 783 O VAL A 52 -0.985 -6.910 -6.316 1.00 0.00 O ATOM 784 CB VAL A 52 -1.504 -8.853 -4.317 1.00 0.00 C ATOM 785 CG1 VAL A 52 -0.849 -9.954 -5.142 1.00 0.00 C ATOM 786 CG2 VAL A 52 -2.022 -9.404 -2.996 1.00 0.00 C ATOM 0 H VAL A 52 -2.082 -6.396 -3.531 1.00 0.00 H new ATOM 0 HA VAL A 52 0.359 -8.040 -3.556 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.354 -8.470 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.559 -10.767 -5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.546 -9.553 -6.109 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.028 -10.331 -4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.707 -10.229 -3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.184 -9.761 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.546 -8.617 -2.454 1.00 0.00 H new ATOM 796 N PRO A 53 1.170 -6.786 -5.636 1.00 0.00 N ATOM 797 CA PRO A 53 1.696 -6.225 -6.900 1.00 0.00 C ATOM 798 C PRO A 53 1.447 -7.141 -8.096 1.00 0.00 C ATOM 799 O PRO A 53 1.401 -6.688 -9.243 1.00 0.00 O ATOM 800 CB PRO A 53 3.200 -6.105 -6.631 1.00 0.00 C ATOM 801 CG PRO A 53 3.302 -6.023 -5.154 1.00 0.00 C ATOM 802 CD PRO A 53 2.236 -6.933 -4.632 1.00 0.00 C ATOM 0 HA PRO A 53 1.212 -5.283 -7.158 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.744 -6.966 -7.020 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.620 -5.220 -7.109 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.288 -6.335 -4.810 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.152 -5.001 -4.806 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.583 -7.963 -4.557 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.901 -6.637 -3.638 1.00 0.00 H new ATOM 810 N SER A 54 1.322 -8.435 -7.825 1.00 0.00 N ATOM 811 CA SER A 54 1.066 -9.413 -8.866 1.00 0.00 C ATOM 812 C SER A 54 -0.271 -9.135 -9.562 1.00 0.00 C ATOM 813 O SER A 54 -0.369 -9.239 -10.782 1.00 0.00 O ATOM 814 CB SER A 54 1.094 -10.841 -8.296 1.00 0.00 C ATOM 815 OG SER A 54 0.864 -11.812 -9.314 1.00 0.00 O ATOM 0 H SER A 54 1.395 -8.829 -6.887 1.00 0.00 H new ATOM 0 HA SER A 54 1.860 -9.327 -9.608 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.059 -11.027 -7.825 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.336 -10.939 -7.519 1.00 0.00 H new ATOM 0 HG SER A 54 0.889 -12.710 -8.922 1.00 0.00 H new ATOM 821 N VAL A 55 -1.297 -8.777 -8.783 1.00 0.00 N ATOM 822 CA VAL A 55 -2.616 -8.505 -9.350 1.00 0.00 C ATOM 823 C VAL A 55 -2.546 -7.271 -10.245 1.00 0.00 C ATOM 824 O VAL A 55 -2.783 -7.351 -11.456 1.00 0.00 O ATOM 825 CB VAL A 55 -3.675 -8.279 -8.240 1.00 0.00 C ATOM 826 CG1 VAL A 55 -5.041 -7.977 -8.840 1.00 0.00 C ATOM 827 CG2 VAL A 55 -3.752 -9.485 -7.322 1.00 0.00 C ATOM 0 H VAL A 55 -1.239 -8.670 -7.770 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.916 -9.374 -9.935 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.366 -7.415 -7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.764 -7.823 -8.039 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.979 -7.077 -9.451 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.359 -8.815 -9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.500 -9.307 -6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.030 -10.366 -7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.781 -9.649 -6.855 1.00 0.00 H new ATOM 837 N VAL A 56 -2.206 -6.143 -9.649 1.00 0.00 N ATOM 838 CA VAL A 56 -2.005 -4.904 -10.395 1.00 0.00 C ATOM 839 C VAL A 56 -0.813 -4.160 -9.834 1.00 0.00 C ATOM 840 O VAL A 56 -0.403 -4.401 -8.696 1.00 0.00 O ATOM 841 CB VAL A 56 -3.240 -3.958 -10.382 1.00 0.00 C ATOM 842 CG1 VAL A 56 -4.455 -4.610 -11.025 1.00 0.00 C ATOM 843 CG2 VAL A 56 -3.555 -3.502 -8.976 1.00 0.00 C ATOM 0 H VAL A 56 -2.061 -6.054 -8.643 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.838 -5.197 -11.432 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.986 -3.081 -10.978 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.297 -3.918 -10.997 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.227 -4.862 -12.061 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.713 -5.517 -10.479 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.422 -2.842 -8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.772 -4.369 -8.352 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.699 -2.966 -8.567 1.00 0.00 H new ATOM 853 N CYS A 57 -0.256 -3.272 -10.619 1.00 0.00 N ATOM 854 CA CYS A 57 0.869 -2.490 -10.177 1.00 0.00 C ATOM 855 C CYS A 57 0.409 -1.392 -9.226 1.00 0.00 C ATOM 856 O CYS A 57 -0.740 -0.930 -9.291 1.00 0.00 O ATOM 857 CB CYS A 57 1.591 -1.878 -11.377 1.00 0.00 C ATOM 858 SG CYS A 57 0.599 -0.678 -12.297 1.00 0.00 S ATOM 0 H CYS A 57 -0.565 -3.073 -11.570 1.00 0.00 H new ATOM 0 HA CYS A 57 1.561 -3.144 -9.647 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.502 -1.391 -11.030 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.894 -2.678 -12.053 1.00 0.00 H new ATOM 0 HG CYS A 57 1.353 -0.059 -13.156 1.00 0.00 H new ATOM 864 N LEU A 58 1.307 -0.958 -8.368 1.00 0.00 N ATOM 865 CA LEU A 58 1.013 0.095 -7.417 1.00 0.00 C ATOM 866 C LEU A 58 0.882 1.433 -8.136 1.00 0.00 C ATOM 867 O LEU A 58 0.289 2.380 -7.613 1.00 0.00 O ATOM 868 CB LEU A 58 2.105 0.167 -6.348 1.00 0.00 C ATOM 869 CG LEU A 58 2.274 -1.085 -5.478 1.00 0.00 C ATOM 870 CD1 LEU A 58 3.437 -0.912 -4.514 1.00 0.00 C ATOM 871 CD2 LEU A 58 0.990 -1.389 -4.716 1.00 0.00 C ATOM 0 H LEU A 58 2.258 -1.323 -8.309 1.00 0.00 H new ATOM 0 HA LEU A 58 0.066 -0.131 -6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.055 0.375 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.892 1.014 -5.695 1.00 0.00 H new ATOM 0 HG LEU A 58 2.491 -1.929 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.542 -1.810 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.355 -0.747 -5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.249 -0.055 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.132 -2.281 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.740 -0.545 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.179 -1.559 -5.424 1.00 0.00 H new ATOM 883 N GLN A 59 1.428 1.494 -9.351 1.00 0.00 N ATOM 884 CA GLN A 59 1.386 2.707 -10.154 1.00 0.00 C ATOM 885 C GLN A 59 -0.056 3.094 -10.455 1.00 0.00 C ATOM 886 O GLN A 59 -0.419 4.260 -10.366 1.00 0.00 O ATOM 887 CB GLN A 59 2.135 2.498 -11.470 1.00 0.00 C ATOM 888 CG GLN A 59 3.638 2.346 -11.317 1.00 0.00 C ATOM 889 CD GLN A 59 4.312 1.973 -12.623 1.00 0.00 C ATOM 890 OE1 GLN A 59 3.712 1.328 -13.484 1.00 0.00 O ATOM 891 NE2 GLN A 59 5.560 2.369 -12.778 1.00 0.00 N ATOM 0 H GLN A 59 1.906 0.712 -9.798 1.00 0.00 H new ATOM 0 HA GLN A 59 1.864 3.507 -9.588 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.740 1.609 -11.962 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.932 3.343 -12.128 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.060 3.280 -10.946 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.850 1.582 -10.569 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.021 2.902 -12.041 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.064 2.143 -13.635 1.00 0.00 H new ATOM 900 N GLN A 60 -0.880 2.101 -10.784 1.00 0.00 N ATOM 901 CA GLN A 60 -2.290 2.342 -11.081 1.00 0.00 C ATOM 902 C GLN A 60 -3.022 2.864 -9.858 1.00 0.00 C ATOM 903 O GLN A 60 -3.868 3.744 -9.962 1.00 0.00 O ATOM 904 CB GLN A 60 -2.963 1.080 -11.606 1.00 0.00 C ATOM 905 CG GLN A 60 -2.510 0.679 -12.997 1.00 0.00 C ATOM 906 CD GLN A 60 -3.056 -0.665 -13.420 1.00 0.00 C ATOM 907 OE1 GLN A 60 -3.277 -1.544 -12.594 1.00 0.00 O ATOM 908 NE2 GLN A 60 -3.286 -0.826 -14.703 1.00 0.00 N ATOM 0 H GLN A 60 -0.596 1.124 -10.851 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.338 3.103 -11.860 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.762 0.259 -10.918 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.042 1.232 -11.615 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.828 1.438 -13.712 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.421 0.650 -13.026 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.088 -0.068 -15.356 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.663 -1.709 -15.047 1.00 0.00 H new ATOM 917 N VAL A 61 -2.688 2.313 -8.700 1.00 0.00 N ATOM 918 CA VAL A 61 -3.290 2.745 -7.443 1.00 0.00 C ATOM 919 C VAL A 61 -2.953 4.220 -7.186 1.00 0.00 C ATOM 920 O VAL A 61 -3.828 5.030 -6.837 1.00 0.00 O ATOM 921 CB VAL A 61 -2.791 1.872 -6.262 1.00 0.00 C ATOM 922 CG1 VAL A 61 -3.268 2.424 -4.928 1.00 0.00 C ATOM 923 CG2 VAL A 61 -3.240 0.427 -6.438 1.00 0.00 C ATOM 0 H VAL A 61 -2.002 1.564 -8.603 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.371 2.629 -7.519 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.701 1.899 -6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.902 1.790 -4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.887 3.437 -4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.358 2.441 -4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.881 -0.170 -5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.329 0.386 -6.472 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.832 0.030 -7.368 1.00 0.00 H new ATOM 933 N CYS A 62 -1.687 4.559 -7.390 1.00 0.00 N ATOM 934 CA CYS A 62 -1.218 5.923 -7.257 1.00 0.00 C ATOM 935 C CYS A 62 -1.928 6.818 -8.272 1.00 0.00 C ATOM 936 O CYS A 62 -2.261 7.965 -7.987 1.00 0.00 O ATOM 937 CB CYS A 62 0.298 5.991 -7.447 1.00 0.00 C ATOM 938 SG CYS A 62 0.996 7.632 -7.177 1.00 0.00 S ATOM 0 H CYS A 62 -0.960 3.893 -7.652 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.449 6.278 -6.253 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.772 5.288 -6.762 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.543 5.665 -8.458 1.00 0.00 H new ATOM 0 HG CYS A 62 2.283 7.591 -7.358 1.00 0.00 H new ATOM 944 N HIS A 63 -2.133 6.286 -9.463 1.00 0.00 N ATOM 945 CA HIS A 63 -2.818 7.008 -10.523 1.00 0.00 C ATOM 946 C HIS A 63 -4.260 7.322 -10.134 1.00 0.00 C ATOM 947 O HIS A 63 -4.765 8.397 -10.444 1.00 0.00 O ATOM 948 CB HIS A 63 -2.777 6.230 -11.844 1.00 0.00 C ATOM 949 CG HIS A 63 -1.421 6.192 -12.489 1.00 0.00 C ATOM 950 ND1 HIS A 63 -1.055 5.245 -13.425 1.00 0.00 N ATOM 951 CD2 HIS A 63 -0.342 7.001 -12.340 1.00 0.00 C ATOM 952 CE1 HIS A 63 0.187 5.473 -13.819 1.00 0.00 C ATOM 953 NE2 HIS A 63 0.638 6.531 -13.176 1.00 0.00 N ATOM 0 H HIS A 63 -1.832 5.347 -9.723 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.290 7.951 -10.668 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -3.110 5.208 -11.662 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.487 6.678 -12.540 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.269 7.856 -11.685 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.737 4.891 -14.544 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.568 6.936 -13.283 1.00 0.00 H new ATOM 961 N GLN A 64 -4.906 6.392 -9.426 1.00 0.00 N ATOM 962 CA GLN A 64 -6.306 6.566 -9.024 1.00 0.00 C ATOM 963 C GLN A 64 -6.473 7.805 -8.167 1.00 0.00 C ATOM 964 O GLN A 64 -7.412 8.578 -8.353 1.00 0.00 O ATOM 965 CB GLN A 64 -6.795 5.349 -8.230 1.00 0.00 C ATOM 966 CG GLN A 64 -6.905 4.074 -9.049 1.00 0.00 C ATOM 967 CD GLN A 64 -7.867 4.203 -10.210 1.00 0.00 C ATOM 968 OE1 GLN A 64 -8.850 4.940 -10.144 1.00 0.00 O ATOM 969 NE2 GLN A 64 -7.599 3.479 -11.276 1.00 0.00 N ATOM 0 H GLN A 64 -4.485 5.515 -9.120 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.897 6.673 -9.934 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.114 5.175 -7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.771 5.577 -7.801 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.919 3.805 -9.428 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.231 3.259 -8.402 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.773 2.880 -11.291 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.217 3.517 -12.087 1.00 0.00 H new ATOM 978 N ILE A 65 -5.565 7.999 -7.236 1.00 0.00 N ATOM 979 CA ILE A 65 -5.615 9.172 -6.389 1.00 0.00 C ATOM 980 C ILE A 65 -5.113 10.418 -7.145 1.00 0.00 C ATOM 981 O ILE A 65 -5.650 11.520 -6.979 1.00 0.00 O ATOM 982 CB ILE A 65 -4.831 8.953 -5.060 1.00 0.00 C ATOM 983 CG1 ILE A 65 -4.961 10.159 -4.131 1.00 0.00 C ATOM 984 CG2 ILE A 65 -3.375 8.626 -5.320 1.00 0.00 C ATOM 985 CD1 ILE A 65 -4.372 9.926 -2.755 1.00 0.00 C ATOM 0 H ILE A 65 -4.788 7.366 -7.046 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.657 9.344 -6.120 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.279 8.095 -4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.467 11.016 -4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.015 10.417 -4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.860 8.480 -4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.307 7.714 -5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.909 9.448 -5.863 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.499 10.823 -2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.882 9.089 -2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.310 9.698 -2.848 1.00 0.00 H new ATOM 997 N GLY A 66 -4.106 10.220 -7.999 1.00 0.00 N ATOM 998 CA GLY A 66 -3.540 11.316 -8.772 1.00 0.00 C ATOM 999 C GLY A 66 -4.532 11.956 -9.733 1.00 0.00 C ATOM 1000 O GLY A 66 -4.591 13.185 -9.849 1.00 0.00 O ATOM 0 H GLY A 66 -3.671 9.313 -8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.166 12.078 -8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.684 10.947 -9.338 1.00 0.00 H new ATOM 1004 N ASP A 67 -5.323 11.127 -10.411 1.00 0.00 N ATOM 1005 CA ASP A 67 -6.320 11.617 -11.375 1.00 0.00 C ATOM 1006 C ASP A 67 -7.426 12.401 -10.699 1.00 0.00 C ATOM 1007 O ASP A 67 -8.101 13.212 -11.332 1.00 0.00 O ATOM 1008 CB ASP A 67 -6.916 10.476 -12.214 1.00 0.00 C ATOM 1009 CG ASP A 67 -5.955 9.947 -13.258 1.00 0.00 C ATOM 1010 OD1 ASP A 67 -5.638 10.693 -14.206 1.00 0.00 O ATOM 1011 OD2 ASP A 67 -5.522 8.783 -13.149 1.00 0.00 O ATOM 0 H ASP A 67 -5.297 10.112 -10.314 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.788 12.291 -12.046 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.210 9.661 -11.553 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.822 10.829 -12.707 1.00 0.00 H new ATOM 1016 N MET A 68 -7.610 12.167 -9.416 1.00 0.00 N ATOM 1017 CA MET A 68 -8.651 12.848 -8.659 1.00 0.00 C ATOM 1018 C MET A 68 -8.189 14.220 -8.182 1.00 0.00 C ATOM 1019 O MET A 68 -8.934 14.936 -7.510 1.00 0.00 O ATOM 1020 CB MET A 68 -9.112 11.997 -7.485 1.00 0.00 C ATOM 1021 CG MET A 68 -9.750 10.680 -7.898 1.00 0.00 C ATOM 1022 SD MET A 68 -11.247 10.901 -8.878 1.00 0.00 S ATOM 1023 CE MET A 68 -11.667 9.194 -9.226 1.00 0.00 C ATOM 0 H MET A 68 -7.053 11.509 -8.871 1.00 0.00 H new ATOM 0 HA MET A 68 -9.498 12.998 -9.328 1.00 0.00 H new ATOM 0 HB2 MET A 68 -8.258 11.790 -6.840 1.00 0.00 H new ATOM 0 HB3 MET A 68 -9.828 12.567 -6.893 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.029 10.097 -8.472 1.00 0.00 H new ATOM 0 HG3 MET A 68 -9.989 10.102 -7.005 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.575 9.158 -9.828 1.00 0.00 H new ATOM 0 HE2 MET A 68 -10.851 8.723 -9.773 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.831 8.661 -8.289 1.00 0.00 H new ATOM 1033 N GLY A 69 -6.958 14.580 -8.525 1.00 0.00 N ATOM 1034 CA GLY A 69 -6.447 15.887 -8.166 1.00 0.00 C ATOM 1035 C GLY A 69 -5.641 15.889 -6.892 1.00 0.00 C ATOM 1036 O GLY A 69 -5.294 16.948 -6.377 1.00 0.00 O ATOM 0 H GLY A 69 -6.307 13.991 -9.044 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.826 16.262 -8.980 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.283 16.578 -8.059 1.00 0.00 H new ATOM 1040 N PHE A 70 -5.340 14.719 -6.375 1.00 0.00 N ATOM 1041 CA PHE A 70 -4.556 14.620 -5.161 1.00 0.00 C ATOM 1042 C PHE A 70 -3.201 14.008 -5.464 1.00 0.00 C ATOM 1043 O PHE A 70 -3.095 13.098 -6.285 1.00 0.00 O ATOM 1044 CB PHE A 70 -5.295 13.798 -4.103 1.00 0.00 C ATOM 1045 CG PHE A 70 -6.613 14.392 -3.695 1.00 0.00 C ATOM 1046 CD1 PHE A 70 -6.662 15.483 -2.847 1.00 0.00 C ATOM 1047 CD2 PHE A 70 -7.803 13.861 -4.166 1.00 0.00 C ATOM 1048 CE1 PHE A 70 -7.869 16.034 -2.472 1.00 0.00 C ATOM 1049 CE2 PHE A 70 -9.015 14.407 -3.794 1.00 0.00 C ATOM 1050 CZ PHE A 70 -9.048 15.495 -2.946 1.00 0.00 C ATOM 0 H PHE A 70 -5.624 13.824 -6.774 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.405 15.623 -4.763 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.462 12.792 -4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.661 13.701 -3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.743 15.909 -2.473 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.782 13.011 -4.831 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.892 16.886 -1.809 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.936 13.983 -4.166 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.995 15.924 -2.654 1.00 0.00 H new ATOM 1060 N GLU A 71 -2.167 14.519 -4.827 1.00 0.00 N ATOM 1061 CA GLU A 71 -0.821 14.031 -5.056 1.00 0.00 C ATOM 1062 C GLU A 71 -0.485 12.908 -4.099 1.00 0.00 C ATOM 1063 O GLU A 71 -0.848 12.949 -2.927 1.00 0.00 O ATOM 1064 CB GLU A 71 0.212 15.160 -4.924 1.00 0.00 C ATOM 1065 CG GLU A 71 0.273 16.100 -6.122 1.00 0.00 C ATOM 1066 CD GLU A 71 -0.973 16.939 -6.285 1.00 0.00 C ATOM 1067 OE1 GLU A 71 -1.235 17.798 -5.417 1.00 0.00 O ATOM 1068 OE2 GLU A 71 -1.693 16.752 -7.284 1.00 0.00 O ATOM 0 H GLU A 71 -2.233 15.274 -4.145 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.782 13.648 -6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.016 15.743 -4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.197 14.719 -4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.135 16.758 -6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.430 15.514 -7.028 1.00 0.00 H new ATOM 1075 N ALA A 72 0.200 11.908 -4.600 1.00 0.00 N ATOM 1076 CA ALA A 72 0.598 10.785 -3.787 1.00 0.00 C ATOM 1077 C ALA A 72 1.922 10.243 -4.263 1.00 0.00 C ATOM 1078 O ALA A 72 2.252 10.343 -5.447 1.00 0.00 O ATOM 1079 CB ALA A 72 -0.461 9.699 -3.823 1.00 0.00 C ATOM 0 H ALA A 72 0.495 11.850 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 72 0.707 11.123 -2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.143 8.860 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.402 10.095 -3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.600 9.360 -4.850 1.00 0.00 H new ATOM 1085 N SER A 73 2.684 9.680 -3.355 1.00 0.00 N ATOM 1086 CA SER A 73 3.965 9.118 -3.710 1.00 0.00 C ATOM 1087 C SER A 73 4.228 7.865 -2.899 1.00 0.00 C ATOM 1088 O SER A 73 3.981 7.834 -1.689 1.00 0.00 O ATOM 1089 CB SER A 73 5.079 10.148 -3.499 1.00 0.00 C ATOM 1090 OG SER A 73 6.331 9.652 -3.944 1.00 0.00 O ATOM 0 H SER A 73 2.440 9.599 -2.368 1.00 0.00 H new ATOM 0 HA SER A 73 3.950 8.848 -4.766 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.837 11.064 -4.037 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.143 10.406 -2.442 1.00 0.00 H new ATOM 0 HG SER A 73 7.022 10.331 -3.798 1.00 0.00 H new ATOM 1096 N ILE A 74 4.728 6.843 -3.567 1.00 0.00 N ATOM 1097 CA ILE A 74 4.996 5.564 -2.942 1.00 0.00 C ATOM 1098 C ILE A 74 6.425 5.516 -2.420 1.00 0.00 C ATOM 1099 O ILE A 74 7.381 5.786 -3.158 1.00 0.00 O ATOM 1100 CB ILE A 74 4.770 4.406 -3.942 1.00 0.00 C ATOM 1101 CG1 ILE A 74 3.323 4.423 -4.445 1.00 0.00 C ATOM 1102 CG2 ILE A 74 5.093 3.061 -3.293 1.00 0.00 C ATOM 1103 CD1 ILE A 74 3.063 3.468 -5.587 1.00 0.00 C ATOM 0 H ILE A 74 4.960 6.877 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 74 4.305 5.447 -2.107 1.00 0.00 H new ATOM 0 HB ILE A 74 5.440 4.544 -4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.658 4.175 -3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.071 5.434 -4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.927 2.260 -4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.135 3.052 -2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.447 2.910 -2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.018 3.537 -5.888 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.702 3.728 -6.431 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.282 2.449 -5.267 1.00 0.00 H new ATOM 1115 N ALA A 75 6.559 5.178 -1.159 1.00 0.00 N ATOM 1116 CA ALA A 75 7.838 5.108 -0.497 1.00 0.00 C ATOM 1117 C ALA A 75 7.939 3.826 0.309 1.00 0.00 C ATOM 1118 O ALA A 75 6.925 3.179 0.580 1.00 0.00 O ATOM 1119 CB ALA A 75 8.028 6.316 0.404 1.00 0.00 C ATOM 0 H ALA A 75 5.771 4.941 -0.557 1.00 0.00 H new ATOM 0 HA ALA A 75 8.626 5.109 -1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.997 6.252 0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.985 7.226 -0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.238 6.338 1.155 1.00 0.00 H new ATOM 1125 N GLU A 76 9.159 3.435 0.638 1.00 0.00 N ATOM 1126 CA GLU A 76 9.403 2.235 1.432 1.00 0.00 C ATOM 1127 C GLU A 76 8.744 2.346 2.806 1.00 0.00 C ATOM 1128 O GLU A 76 9.391 2.867 3.737 1.00 0.00 O ATOM 1129 CB GLU A 76 10.909 2.006 1.593 1.00 0.00 C ATOM 1130 CG GLU A 76 11.615 1.645 0.301 1.00 0.00 C ATOM 1131 CD GLU A 76 11.087 0.367 -0.306 1.00 0.00 C ATOM 1132 OE1 GLU A 76 11.184 -0.692 0.347 1.00 0.00 O ATOM 1133 OE2 GLU A 76 10.563 0.412 -1.433 1.00 0.00 O ATOM 1134 OXT GLU A 76 7.581 1.909 2.952 1.00 0.00 O ATOM 0 H GLU A 76 10.006 3.935 0.366 1.00 0.00 H new ATOM 0 HA GLU A 76 8.965 1.386 0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.362 2.908 2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.070 1.209 2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.497 2.459 -0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.683 1.540 0.491 1.00 0.00 H new