USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 56 LYS NZ :NH3+ -175:sc= 1.31 (180deg=0.275) USER MOD Set 1.2: A 81 THR OG1 : rot 88:sc= 2.12 USER MOD Single : A 6 THR OG1 : rot 26:sc= 0.208 USER MOD Single : A 8 GLN : amide:sc= 0.324 X(o=0.32,f=-0.064) USER MOD Single : A 15 GLN : amide:sc= 0.717 K(o=0.72,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc=-0.00901 X(o=-0.009,f=0) USER MOD Single : A 29 TYR OH : rot -15:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0683 X(o=-0.068,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 98:sc= 1.27 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 11:sc= 0.908 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.0431 X(o=-0.043,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 10.043 -6.258 1.273 1.00 0.00 N ATOM 83 CA THR A 6 9.696 -6.996 2.481 1.00 0.00 C ATOM 84 C THR A 6 10.820 -7.975 2.817 1.00 0.00 C ATOM 85 O THR A 6 11.755 -8.131 2.033 1.00 0.00 O ATOM 86 CB THR A 6 8.357 -7.721 2.259 1.00 0.00 C ATOM 87 OG1 THR A 6 7.379 -6.806 1.818 1.00 0.00 O ATOM 88 CG2 THR A 6 7.835 -8.372 3.538 1.00 0.00 C ATOM 0 HA THR A 6 9.580 -6.317 3.326 1.00 0.00 H new ATOM 0 HB THR A 6 8.541 -8.494 1.513 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.815 -6.052 1.368 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.888 -8.871 3.332 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.560 -9.103 3.896 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.684 -7.607 4.300 1.00 0.00 H new ATOM 96 N ASP A 7 10.745 -8.640 3.976 1.00 0.00 N ATOM 97 CA ASP A 7 11.755 -9.595 4.414 1.00 0.00 C ATOM 98 C ASP A 7 11.997 -10.701 3.384 1.00 0.00 C ATOM 99 O ASP A 7 13.013 -11.387 3.440 1.00 0.00 O ATOM 100 CB ASP A 7 11.327 -10.192 5.755 1.00 0.00 C ATOM 101 CG ASP A 7 10.003 -10.946 5.651 1.00 0.00 C ATOM 102 OD1 ASP A 7 10.033 -12.118 5.213 1.00 0.00 O ATOM 103 OD2 ASP A 7 8.968 -10.344 6.010 1.00 0.00 O ATOM 0 H ASP A 7 9.976 -8.526 4.636 1.00 0.00 H new ATOM 0 HA ASP A 7 12.700 -9.064 4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.102 -10.869 6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.233 -9.395 6.493 1.00 0.00 H new ATOM 108 N GLN A 8 11.071 -10.880 2.439 1.00 0.00 N ATOM 109 CA GLN A 8 11.223 -11.860 1.375 1.00 0.00 C ATOM 110 C GLN A 8 12.379 -11.472 0.454 1.00 0.00 C ATOM 111 O GLN A 8 13.279 -12.270 0.208 1.00 0.00 O ATOM 112 CB GLN A 8 9.908 -11.943 0.594 1.00 0.00 C ATOM 113 CG GLN A 8 10.010 -12.893 -0.606 1.00 0.00 C ATOM 114 CD GLN A 8 10.345 -14.319 -0.179 1.00 0.00 C ATOM 115 OE1 GLN A 8 9.456 -15.132 0.048 1.00 0.00 O ATOM 116 NE2 GLN A 8 11.633 -14.631 -0.064 1.00 0.00 N ATOM 0 H GLN A 8 10.201 -10.350 2.395 1.00 0.00 H new ATOM 0 HA GLN A 8 11.454 -12.836 1.801 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.113 -12.282 1.258 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.630 -10.948 0.246 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.067 -12.890 -1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.776 -12.530 -1.291 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.347 -13.930 -0.261 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.906 -15.571 0.221 1.00 0.00 H new ATOM 125 N VAL A 9 12.345 -10.239 -0.052 1.00 0.00 N ATOM 126 CA VAL A 9 13.341 -9.753 -0.999 1.00 0.00 C ATOM 127 C VAL A 9 14.574 -9.229 -0.267 1.00 0.00 C ATOM 128 O VAL A 9 15.670 -9.231 -0.826 1.00 0.00 O ATOM 129 CB VAL A 9 12.704 -8.688 -1.899 1.00 0.00 C ATOM 130 CG1 VAL A 9 11.985 -7.617 -1.083 1.00 0.00 C ATOM 131 CG2 VAL A 9 13.749 -8.003 -2.781 1.00 0.00 C ATOM 0 H VAL A 9 11.628 -9.553 0.184 1.00 0.00 H new ATOM 0 HA VAL A 9 13.680 -10.574 -1.631 1.00 0.00 H new ATOM 0 HB VAL A 9 11.982 -9.211 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.547 -6.880 -1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.197 -8.080 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.697 -7.125 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.263 -7.254 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.497 -7.520 -2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.233 -8.746 -3.415 1.00 0.00 H new ATOM 141 N LEU A 10 14.417 -8.780 0.982 1.00 0.00 N ATOM 142 CA LEU A 10 15.540 -8.304 1.771 1.00 0.00 C ATOM 143 C LEU A 10 16.457 -9.462 2.155 1.00 0.00 C ATOM 144 O LEU A 10 17.653 -9.245 2.325 1.00 0.00 O ATOM 145 CB LEU A 10 15.019 -7.581 3.016 1.00 0.00 C ATOM 146 CG LEU A 10 14.930 -6.069 2.796 1.00 0.00 C ATOM 147 CD1 LEU A 10 14.085 -5.691 1.586 1.00 0.00 C ATOM 148 CD2 LEU A 10 14.325 -5.419 4.040 1.00 0.00 C ATOM 0 H LEU A 10 13.518 -8.739 1.463 1.00 0.00 H new ATOM 0 HA LEU A 10 16.125 -7.603 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.035 -7.969 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 10 15.678 -7.788 3.860 1.00 0.00 H new ATOM 0 HG LEU A 10 15.943 -5.712 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.061 -4.606 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.519 -6.131 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.070 -6.066 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.258 -4.341 3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.328 -5.824 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.957 -5.628 4.903 1.00 0.00 H new ATOM 160 N VAL A 11 15.930 -10.683 2.295 1.00 0.00 N ATOM 161 CA VAL A 11 16.781 -11.829 2.598 1.00 0.00 C ATOM 162 C VAL A 11 17.417 -12.358 1.314 1.00 0.00 C ATOM 163 O VAL A 11 18.508 -12.921 1.357 1.00 0.00 O ATOM 164 CB VAL A 11 15.987 -12.912 3.337 1.00 0.00 C ATOM 165 CG1 VAL A 11 16.810 -14.193 3.476 1.00 0.00 C ATOM 166 CG2 VAL A 11 15.652 -12.425 4.746 1.00 0.00 C ATOM 0 H VAL A 11 14.937 -10.897 2.205 1.00 0.00 H new ATOM 0 HA VAL A 11 17.585 -11.515 3.263 1.00 0.00 H new ATOM 0 HB VAL A 11 15.083 -13.115 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.225 -14.946 4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 11 17.073 -14.566 2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 11 17.720 -13.982 4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.087 -13.195 5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.575 -12.217 5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.055 -11.515 4.684 1.00 0.00 H new ATOM 176 N GLU A 12 16.763 -12.184 0.162 1.00 0.00 N ATOM 177 CA GLU A 12 17.362 -12.582 -1.102 1.00 0.00 C ATOM 178 C GLU A 12 18.496 -11.633 -1.474 1.00 0.00 C ATOM 179 O GLU A 12 19.514 -12.060 -2.011 1.00 0.00 O ATOM 180 CB GLU A 12 16.304 -12.565 -2.202 1.00 0.00 C ATOM 181 CG GLU A 12 15.322 -13.723 -2.049 1.00 0.00 C ATOM 182 CD GLU A 12 14.294 -13.723 -3.176 1.00 0.00 C ATOM 183 OE1 GLU A 12 14.693 -14.032 -4.322 1.00 0.00 O ATOM 184 OE2 GLU A 12 13.114 -13.417 -2.889 1.00 0.00 O ATOM 0 H GLU A 12 15.832 -11.775 0.084 1.00 0.00 H new ATOM 0 HA GLU A 12 17.763 -13.590 -0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.762 -11.620 -2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.789 -12.624 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.866 -14.668 -2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.813 -13.648 -1.088 1.00 0.00 H new ATOM 191 N ARG A 13 18.332 -10.336 -1.194 1.00 0.00 N ATOM 192 CA ARG A 13 19.316 -9.336 -1.572 1.00 0.00 C ATOM 193 C ARG A 13 20.602 -9.472 -0.760 1.00 0.00 C ATOM 194 O ARG A 13 21.687 -9.254 -1.297 1.00 0.00 O ATOM 195 CB ARG A 13 18.669 -7.956 -1.427 1.00 0.00 C ATOM 196 CG ARG A 13 19.655 -6.844 -1.785 1.00 0.00 C ATOM 197 CD ARG A 13 18.934 -5.505 -1.964 1.00 0.00 C ATOM 198 NE ARG A 13 18.058 -5.517 -3.139 1.00 0.00 N ATOM 199 CZ ARG A 13 18.481 -5.368 -4.400 1.00 0.00 C ATOM 200 NH1 ARG A 13 19.770 -5.195 -4.686 1.00 0.00 N ATOM 201 NH2 ARG A 13 17.602 -5.393 -5.395 1.00 0.00 N ATOM 0 H ARG A 13 17.520 -9.960 -0.704 1.00 0.00 H new ATOM 0 HA ARG A 13 19.617 -9.481 -2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.794 -7.892 -2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.320 -7.821 -0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.407 -6.754 -1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.182 -7.103 -2.703 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.346 -5.286 -1.073 1.00 0.00 H new ATOM 0 HD3 ARG A 13 19.669 -4.706 -2.065 1.00 0.00 H new ATOM 0 HE ARG A 13 17.058 -5.648 -2.985 1.00 0.00 H new ATOM 0 HH11 ARG A 13 20.461 -5.174 -3.936 1.00 0.00 H new ATOM 0 HH12 ARG A 13 20.067 -5.084 -5.655 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.610 -5.525 -5.196 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.918 -5.280 -6.358 1.00 0.00 H new ATOM 215 N VAL A 14 20.506 -9.833 0.522 1.00 0.00 N ATOM 216 CA VAL A 14 21.703 -10.017 1.337 1.00 0.00 C ATOM 217 C VAL A 14 22.432 -11.304 0.964 1.00 0.00 C ATOM 218 O VAL A 14 23.634 -11.414 1.197 1.00 0.00 O ATOM 219 CB VAL A 14 21.354 -10.007 2.826 1.00 0.00 C ATOM 220 CG1 VAL A 14 20.729 -8.669 3.202 1.00 0.00 C ATOM 221 CG2 VAL A 14 20.376 -11.116 3.191 1.00 0.00 C ATOM 0 H VAL A 14 19.626 -10.001 1.009 1.00 0.00 H new ATOM 0 HA VAL A 14 22.373 -9.181 1.136 1.00 0.00 H new ATOM 0 HB VAL A 14 22.282 -10.168 3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.483 -8.668 4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.436 -7.866 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.821 -8.515 2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.156 -11.071 4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.453 -10.988 2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.817 -12.084 2.952 1.00 0.00 H new ATOM 231 N GLN A 15 21.721 -12.276 0.384 1.00 0.00 N ATOM 232 CA GLN A 15 22.333 -13.505 -0.108 1.00 0.00 C ATOM 233 C GLN A 15 22.987 -13.265 -1.469 1.00 0.00 C ATOM 234 O GLN A 15 23.780 -14.088 -1.923 1.00 0.00 O ATOM 235 CB GLN A 15 21.275 -14.604 -0.197 1.00 0.00 C ATOM 236 CG GLN A 15 20.811 -15.041 1.196 1.00 0.00 C ATOM 237 CD GLN A 15 19.683 -16.066 1.124 1.00 0.00 C ATOM 238 OE1 GLN A 15 19.109 -16.304 0.064 1.00 0.00 O ATOM 239 NE2 GLN A 15 19.354 -16.686 2.255 1.00 0.00 N ATOM 0 H GLN A 15 20.712 -12.230 0.245 1.00 0.00 H new ATOM 0 HA GLN A 15 23.110 -13.824 0.586 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.421 -14.245 -0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.682 -15.461 -0.733 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.653 -15.466 1.743 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.474 -14.169 1.757 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.849 -16.467 3.119 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.607 -17.380 2.257 1.00 0.00 H new ATOM 248 N LYS A 16 22.659 -12.139 -2.119 1.00 0.00 N ATOM 249 CA LYS A 16 23.234 -11.750 -3.398 1.00 0.00 C ATOM 250 C LYS A 16 24.449 -10.842 -3.227 1.00 0.00 C ATOM 251 O LYS A 16 25.012 -10.379 -4.216 1.00 0.00 O ATOM 252 CB LYS A 16 22.141 -11.122 -4.261 1.00 0.00 C ATOM 253 CG LYS A 16 21.166 -12.219 -4.695 1.00 0.00 C ATOM 254 CD LYS A 16 19.919 -11.608 -5.334 1.00 0.00 C ATOM 255 CE LYS A 16 18.909 -12.722 -5.616 1.00 0.00 C ATOM 256 NZ LYS A 16 17.679 -12.185 -6.226 1.00 0.00 N ATOM 0 H LYS A 16 21.978 -11.470 -1.760 1.00 0.00 H new ATOM 0 HA LYS A 16 23.611 -12.636 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.615 -10.349 -3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.580 -10.640 -5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.654 -12.887 -5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 16 20.881 -12.822 -3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.482 -10.863 -4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.182 -11.095 -6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.355 -13.461 -6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.663 -13.237 -4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.013 -12.963 -6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.242 -11.498 -5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.913 -11.715 -7.124 1.00 0.00 H new ATOM 270 N GLY A 17 24.861 -10.581 -1.981 1.00 0.00 N ATOM 271 CA GLY A 17 26.093 -9.861 -1.685 1.00 0.00 C ATOM 272 C GLY A 17 25.859 -8.419 -1.238 1.00 0.00 C ATOM 273 O GLY A 17 26.819 -7.698 -0.978 1.00 0.00 O ATOM 0 H GLY A 17 24.343 -10.867 -1.150 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.637 -10.392 -0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 17 26.727 -9.861 -2.572 1.00 0.00 H new ATOM 277 N ASP A 18 24.597 -7.988 -1.142 1.00 0.00 N ATOM 278 CA ASP A 18 24.268 -6.641 -0.702 1.00 0.00 C ATOM 279 C ASP A 18 24.034 -6.639 0.807 1.00 0.00 C ATOM 280 O ASP A 18 22.895 -6.730 1.267 1.00 0.00 O ATOM 281 CB ASP A 18 23.027 -6.160 -1.453 1.00 0.00 C ATOM 282 CG ASP A 18 23.310 -5.666 -2.869 1.00 0.00 C ATOM 283 OD1 ASP A 18 24.470 -5.789 -3.323 1.00 0.00 O ATOM 284 OD2 ASP A 18 22.348 -5.163 -3.493 1.00 0.00 O ATOM 0 H ASP A 18 23.785 -8.563 -1.367 1.00 0.00 H new ATOM 0 HA ASP A 18 25.092 -5.961 -0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.306 -6.976 -1.501 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.561 -5.355 -0.885 1.00 0.00 H new ATOM 289 N GLN A 19 25.112 -6.533 1.589 1.00 0.00 N ATOM 290 CA GLN A 19 25.029 -6.510 3.043 1.00 0.00 C ATOM 291 C GLN A 19 24.290 -5.258 3.522 1.00 0.00 C ATOM 292 O GLN A 19 23.791 -5.223 4.647 1.00 0.00 O ATOM 293 CB GLN A 19 26.454 -6.606 3.601 1.00 0.00 C ATOM 294 CG GLN A 19 26.486 -6.739 5.129 1.00 0.00 C ATOM 295 CD GLN A 19 26.404 -5.396 5.856 1.00 0.00 C ATOM 296 OE1 GLN A 19 26.528 -4.331 5.254 1.00 0.00 O ATOM 297 NE2 GLN A 19 26.189 -5.440 7.167 1.00 0.00 N ATOM 0 H GLN A 19 26.063 -6.461 1.228 1.00 0.00 H new ATOM 0 HA GLN A 19 24.452 -7.358 3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.957 -7.464 3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 19 27.015 -5.719 3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 19 25.656 -7.369 5.449 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.404 -7.248 5.423 1.00 0.00 H new ATOM 0 HE21 GLN A 19 26.090 -6.339 7.638 1.00 0.00 H new ATOM 0 HE22 GLN A 19 26.123 -4.574 7.702 1.00 0.00 H new ATOM 306 N LYS A 20 24.215 -4.231 2.670 1.00 0.00 N ATOM 307 CA LYS A 20 23.502 -2.997 2.971 1.00 0.00 C ATOM 308 C LYS A 20 22.014 -3.265 3.197 1.00 0.00 C ATOM 309 O LYS A 20 21.350 -2.488 3.882 1.00 0.00 O ATOM 310 CB LYS A 20 23.711 -2.025 1.804 1.00 0.00 C ATOM 311 CG LYS A 20 23.132 -2.581 0.497 1.00 0.00 C ATOM 312 CD LYS A 20 23.452 -1.655 -0.673 1.00 0.00 C ATOM 313 CE LYS A 20 22.843 -2.219 -1.955 1.00 0.00 C ATOM 314 NZ LYS A 20 23.148 -1.365 -3.118 1.00 0.00 N ATOM 0 H LYS A 20 24.652 -4.238 1.748 1.00 0.00 H new ATOM 0 HA LYS A 20 23.892 -2.561 3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.238 -1.071 2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 20 24.776 -1.831 1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.542 -3.573 0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 20 22.052 -2.695 0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 20 23.057 -0.658 -0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 20 24.532 -1.554 -0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 20 23.226 -3.224 -2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 20 21.763 -2.305 -1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 22.720 -1.776 -3.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 22.761 -0.413 -2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 24.179 -1.303 -3.243 1.00 0.00 H new ATOM 328 N ALA A 21 21.489 -4.355 2.632 1.00 0.00 N ATOM 329 CA ALA A 21 20.091 -4.699 2.807 1.00 0.00 C ATOM 330 C ALA A 21 19.872 -5.428 4.129 1.00 0.00 C ATOM 331 O ALA A 21 18.742 -5.485 4.612 1.00 0.00 O ATOM 332 CB ALA A 21 19.626 -5.550 1.627 1.00 0.00 C ATOM 0 H ALA A 21 22.016 -5.008 2.052 1.00 0.00 H new ATOM 0 HA ALA A 21 19.499 -3.784 2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.575 -5.809 1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.749 -4.987 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.221 -6.462 1.579 1.00 0.00 H new ATOM 338 N PHE A 22 20.931 -5.983 4.729 1.00 0.00 N ATOM 339 CA PHE A 22 20.801 -6.633 6.024 1.00 0.00 C ATOM 340 C PHE A 22 20.726 -5.569 7.110 1.00 0.00 C ATOM 341 O PHE A 22 19.996 -5.723 8.083 1.00 0.00 O ATOM 342 CB PHE A 22 21.977 -7.574 6.277 1.00 0.00 C ATOM 343 CG PHE A 22 21.823 -8.332 7.575 1.00 0.00 C ATOM 344 CD1 PHE A 22 20.801 -9.284 7.705 1.00 0.00 C ATOM 345 CD2 PHE A 22 22.682 -8.078 8.653 1.00 0.00 C ATOM 346 CE1 PHE A 22 20.639 -9.980 8.908 1.00 0.00 C ATOM 347 CE2 PHE A 22 22.514 -8.767 9.862 1.00 0.00 C ATOM 348 CZ PHE A 22 21.492 -9.716 9.989 1.00 0.00 C ATOM 0 H PHE A 22 21.874 -5.992 4.339 1.00 0.00 H new ATOM 0 HA PHE A 22 19.889 -7.229 6.036 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.060 -8.281 5.452 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.903 -7.000 6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.138 -9.480 6.875 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.474 -7.351 8.552 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.858 -10.720 9.004 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.172 -8.566 10.695 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.361 -10.245 10.921 1.00 0.00 H new ATOM 358 N ASN A 23 21.478 -4.479 6.948 1.00 0.00 N ATOM 359 CA ASN A 23 21.468 -3.382 7.897 1.00 0.00 C ATOM 360 C ASN A 23 20.070 -2.780 7.969 1.00 0.00 C ATOM 361 O ASN A 23 19.578 -2.464 9.051 1.00 0.00 O ATOM 362 CB ASN A 23 22.494 -2.354 7.421 1.00 0.00 C ATOM 363 CG ASN A 23 22.321 -1.014 8.115 1.00 0.00 C ATOM 364 OD1 ASN A 23 22.769 -0.821 9.243 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.666 -0.076 7.438 1.00 0.00 N ATOM 0 H ASN A 23 22.106 -4.339 6.157 1.00 0.00 H new ATOM 0 HA ASN A 23 21.729 -3.722 8.899 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.499 -2.732 7.608 1.00 0.00 H new ATOM 0 HB3 ASN A 23 22.399 -2.219 6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.520 0.844 7.853 1.00 0.00 H new ATOM 0 HD22 ASN A 23 21.310 -0.276 6.503 1.00 0.00 H new ATOM 372 N LEU A 24 19.430 -2.625 6.809 1.00 0.00 N ATOM 373 CA LEU A 24 18.078 -2.095 6.733 1.00 0.00 C ATOM 374 C LEU A 24 17.038 -3.141 7.143 1.00 0.00 C ATOM 375 O LEU A 24 15.904 -2.786 7.463 1.00 0.00 O ATOM 376 CB LEU A 24 17.807 -1.591 5.317 1.00 0.00 C ATOM 377 CG LEU A 24 18.776 -0.481 4.892 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.568 -0.186 3.409 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.539 0.792 5.698 1.00 0.00 C ATOM 0 H LEU A 24 19.836 -2.863 5.904 1.00 0.00 H new ATOM 0 HA LEU A 24 17.994 -1.265 7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.884 -2.424 4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.784 -1.218 5.257 1.00 0.00 H new ATOM 0 HG LEU A 24 19.797 -0.817 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.252 0.602 3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.762 -1.087 2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.541 0.138 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.240 1.562 5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.519 1.140 5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.689 0.585 6.758 1.00 0.00 H new ATOM 391 N LEU A 25 17.411 -4.423 7.137 1.00 0.00 N ATOM 392 CA LEU A 25 16.518 -5.492 7.555 1.00 0.00 C ATOM 393 C LEU A 25 16.511 -5.624 9.074 1.00 0.00 C ATOM 394 O LEU A 25 15.445 -5.792 9.665 1.00 0.00 O ATOM 395 CB LEU A 25 16.954 -6.794 6.870 1.00 0.00 C ATOM 396 CG LEU A 25 16.121 -8.011 7.284 1.00 0.00 C ATOM 397 CD1 LEU A 25 14.656 -7.849 6.886 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.679 -9.249 6.585 1.00 0.00 C ATOM 0 H LEU A 25 18.334 -4.742 6.844 1.00 0.00 H new ATOM 0 HA LEU A 25 15.495 -5.263 7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.886 -6.667 5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.002 -6.985 7.103 1.00 0.00 H new ATOM 0 HG LEU A 25 16.176 -8.110 8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.095 -8.731 7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.242 -6.966 7.373 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.583 -7.734 5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.094 -10.123 6.872 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.623 -9.113 5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.718 -9.395 6.879 1.00 0.00 H new ATOM 410 N VAL A 26 17.673 -5.553 9.731 1.00 0.00 N ATOM 411 CA VAL A 26 17.697 -5.759 11.171 1.00 0.00 C ATOM 412 C VAL A 26 17.037 -4.606 11.911 1.00 0.00 C ATOM 413 O VAL A 26 16.535 -4.831 13.003 1.00 0.00 O ATOM 414 CB VAL A 26 19.111 -6.000 11.712 1.00 0.00 C ATOM 415 CG1 VAL A 26 19.769 -7.192 11.024 1.00 0.00 C ATOM 416 CG2 VAL A 26 19.988 -4.756 11.592 1.00 0.00 C ATOM 0 H VAL A 26 18.578 -5.361 9.301 1.00 0.00 H new ATOM 0 HA VAL A 26 17.121 -6.666 11.355 1.00 0.00 H new ATOM 0 HB VAL A 26 19.011 -6.229 12.773 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.771 -7.338 11.428 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.173 -8.088 11.199 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.834 -7.003 9.952 1.00 0.00 H new ATOM 0 HG21 VAL A 26 20.981 -4.971 11.987 1.00 0.00 H new ATOM 0 HG22 VAL A 26 20.069 -4.468 10.544 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.541 -3.940 12.159 1.00 0.00 H new ATOM 426 N VAL A 27 17.017 -3.385 11.361 1.00 0.00 N ATOM 427 CA VAL A 27 16.391 -2.269 12.066 1.00 0.00 C ATOM 428 C VAL A 27 14.883 -2.475 12.194 1.00 0.00 C ATOM 429 O VAL A 27 14.273 -1.962 13.130 1.00 0.00 O ATOM 430 CB VAL A 27 16.687 -0.935 11.377 1.00 0.00 C ATOM 431 CG1 VAL A 27 18.175 -0.619 11.446 1.00 0.00 C ATOM 432 CG2 VAL A 27 16.287 -0.960 9.908 1.00 0.00 C ATOM 0 H VAL A 27 17.418 -3.152 10.452 1.00 0.00 H new ATOM 0 HA VAL A 27 16.822 -2.237 13.067 1.00 0.00 H new ATOM 0 HB VAL A 27 16.106 -0.176 11.900 1.00 0.00 H new ATOM 0 HG11 VAL A 27 18.368 0.333 10.951 1.00 0.00 H new ATOM 0 HG12 VAL A 27 18.486 -0.556 12.489 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.738 -1.408 10.947 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.512 0.005 9.453 1.00 0.00 H new ATOM 0 HG22 VAL A 27 16.843 -1.743 9.393 1.00 0.00 H new ATOM 0 HG23 VAL A 27 15.219 -1.159 9.825 1.00 0.00 H new ATOM 442 N ARG A 28 14.273 -3.226 11.270 1.00 0.00 N ATOM 443 CA ARG A 28 12.846 -3.519 11.340 1.00 0.00 C ATOM 444 C ARG A 28 12.565 -4.453 12.509 1.00 0.00 C ATOM 445 O ARG A 28 11.514 -4.377 13.142 1.00 0.00 O ATOM 446 CB ARG A 28 12.394 -4.194 10.042 1.00 0.00 C ATOM 447 CG ARG A 28 12.906 -3.458 8.804 1.00 0.00 C ATOM 448 CD ARG A 28 12.359 -4.112 7.536 1.00 0.00 C ATOM 449 NE ARG A 28 10.897 -3.989 7.452 1.00 0.00 N ATOM 450 CZ ARG A 28 10.043 -5.015 7.380 1.00 0.00 C ATOM 451 NH1 ARG A 28 10.478 -6.274 7.375 1.00 0.00 N ATOM 452 NH2 ARG A 28 8.738 -4.781 7.310 1.00 0.00 N ATOM 0 H ARG A 28 14.749 -3.639 10.468 1.00 0.00 H new ATOM 0 HA ARG A 28 12.301 -2.586 11.480 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.752 -5.223 10.025 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.305 -4.235 10.015 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.602 -2.412 8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.996 -3.473 8.788 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.815 -3.648 6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.638 -5.166 7.520 1.00 0.00 H new ATOM 0 HE ARG A 28 10.503 -3.048 7.448 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.478 -6.468 7.427 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.811 -7.044 7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.391 -3.822 7.311 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.082 -5.560 7.255 1.00 0.00 H new ATOM 466 N TYR A 29 13.522 -5.336 12.787 1.00 0.00 N ATOM 467 CA TYR A 29 13.398 -6.319 13.847 1.00 0.00 C ATOM 468 C TYR A 29 14.143 -5.905 15.112 1.00 0.00 C ATOM 469 O TYR A 29 13.995 -6.554 16.141 1.00 0.00 O ATOM 470 CB TYR A 29 13.881 -7.663 13.321 1.00 0.00 C ATOM 471 CG TYR A 29 12.960 -8.206 12.252 1.00 0.00 C ATOM 472 CD1 TYR A 29 13.144 -7.846 10.909 1.00 0.00 C ATOM 473 CD2 TYR A 29 11.907 -9.054 12.614 1.00 0.00 C ATOM 474 CE1 TYR A 29 12.264 -8.314 9.925 1.00 0.00 C ATOM 475 CE2 TYR A 29 11.027 -9.536 11.638 1.00 0.00 C ATOM 476 CZ TYR A 29 11.198 -9.162 10.287 1.00 0.00 C ATOM 477 OH TYR A 29 10.338 -9.617 9.336 1.00 0.00 O ATOM 0 H TYR A 29 14.405 -5.385 12.279 1.00 0.00 H new ATOM 0 HA TYR A 29 12.350 -6.396 14.137 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.887 -7.555 12.915 1.00 0.00 H new ATOM 0 HB3 TYR A 29 13.944 -8.375 14.144 1.00 0.00 H new ATOM 0 HD1 TYR A 29 13.968 -7.205 10.632 1.00 0.00 H new ATOM 0 HD2 TYR A 29 11.773 -9.337 13.648 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.402 -8.026 8.893 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.217 -10.194 11.918 1.00 0.00 H new ATOM 0 HH TYR A 29 10.444 -9.087 8.518 1.00 0.00 H new ATOM 487 N GLN A 30 14.937 -4.838 15.057 1.00 0.00 N ATOM 488 CA GLN A 30 15.740 -4.384 16.180 1.00 0.00 C ATOM 489 C GLN A 30 14.855 -4.002 17.359 1.00 0.00 C ATOM 490 O GLN A 30 15.267 -4.132 18.511 1.00 0.00 O ATOM 491 CB GLN A 30 16.586 -3.209 15.697 1.00 0.00 C ATOM 492 CG GLN A 30 17.600 -2.734 16.732 1.00 0.00 C ATOM 493 CD GLN A 30 18.485 -1.658 16.114 1.00 0.00 C ATOM 494 OE1 GLN A 30 18.507 -0.516 16.564 1.00 0.00 O ATOM 495 NE2 GLN A 30 19.227 -2.022 15.070 1.00 0.00 N ATOM 0 H GLN A 30 15.039 -4.262 14.222 1.00 0.00 H new ATOM 0 HA GLN A 30 16.393 -5.182 16.535 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.113 -3.498 14.788 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.929 -2.380 15.434 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.085 -2.339 17.608 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.209 -3.571 17.072 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.183 -2.980 14.723 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.839 -1.343 14.618 1.00 0.00 H new ATOM 504 N HIS A 31 13.635 -3.536 17.081 1.00 0.00 N ATOM 505 CA HIS A 31 12.668 -3.235 18.126 1.00 0.00 C ATOM 506 C HIS A 31 11.865 -4.475 18.504 1.00 0.00 C ATOM 507 O HIS A 31 11.426 -4.600 19.646 1.00 0.00 O ATOM 508 CB HIS A 31 11.736 -2.133 17.625 1.00 0.00 C ATOM 509 CG HIS A 31 12.457 -0.844 17.332 1.00 0.00 C ATOM 510 ND1 HIS A 31 12.776 -0.363 16.059 1.00 0.00 N ATOM 511 CD2 HIS A 31 12.908 0.039 18.272 1.00 0.00 C ATOM 512 CE1 HIS A 31 13.412 0.800 16.268 1.00 0.00 C ATOM 513 NE2 HIS A 31 13.509 1.067 17.583 1.00 0.00 N ATOM 0 H HIS A 31 13.297 -3.360 16.135 1.00 0.00 H new ATOM 0 HA HIS A 31 13.196 -2.901 19.019 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.231 -2.474 16.721 1.00 0.00 H new ATOM 0 HB3 HIS A 31 10.964 -1.950 18.372 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.812 -0.052 19.344 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.795 1.437 15.485 1.00 0.00 H new ATOM 0 HE2 HIS A 31 13.951 1.888 17.997 1.00 0.00 H new ATOM 521 N LYS A 32 11.670 -5.393 17.553 1.00 0.00 N ATOM 522 CA LYS A 32 10.876 -6.595 17.779 1.00 0.00 C ATOM 523 C LYS A 32 11.631 -7.643 18.596 1.00 0.00 C ATOM 524 O LYS A 32 11.044 -8.273 19.472 1.00 0.00 O ATOM 525 CB LYS A 32 10.442 -7.182 16.431 1.00 0.00 C ATOM 526 CG LYS A 32 9.649 -6.158 15.619 1.00 0.00 C ATOM 527 CD LYS A 32 9.212 -6.776 14.293 1.00 0.00 C ATOM 528 CE LYS A 32 8.436 -5.741 13.482 1.00 0.00 C ATOM 529 NZ LYS A 32 7.987 -6.301 12.192 1.00 0.00 N ATOM 0 H LYS A 32 12.057 -5.321 16.612 1.00 0.00 H new ATOM 0 HA LYS A 32 9.998 -6.311 18.360 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.320 -7.497 15.868 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.833 -8.071 16.596 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.776 -5.830 16.183 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.260 -5.274 15.435 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.083 -7.115 13.732 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.590 -7.652 14.475 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.573 -5.400 14.054 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.065 -4.869 13.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.463 -5.576 11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.814 -6.604 11.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.368 -7.119 12.365 1.00 0.00 H new ATOM 543 N VAL A 33 12.925 -7.842 18.322 1.00 0.00 N ATOM 544 CA VAL A 33 13.702 -8.852 19.030 1.00 0.00 C ATOM 545 C VAL A 33 14.203 -8.320 20.366 1.00 0.00 C ATOM 546 O VAL A 33 14.461 -9.105 21.275 1.00 0.00 O ATOM 547 CB VAL A 33 14.868 -9.379 18.188 1.00 0.00 C ATOM 548 CG1 VAL A 33 14.382 -9.852 16.819 1.00 0.00 C ATOM 549 CG2 VAL A 33 15.987 -8.357 18.029 1.00 0.00 C ATOM 0 H VAL A 33 13.448 -7.319 17.620 1.00 0.00 H new ATOM 0 HA VAL A 33 13.032 -9.691 19.220 1.00 0.00 H new ATOM 0 HB VAL A 33 15.283 -10.228 18.731 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.228 -10.222 16.240 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.654 -10.653 16.948 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.917 -9.020 16.291 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.787 -8.784 17.424 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.598 -7.465 17.539 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.378 -8.090 19.011 1.00 0.00 H new ATOM 559 N ALA A 34 14.345 -7.000 20.496 1.00 0.00 N ATOM 560 CA ALA A 34 14.747 -6.415 21.761 1.00 0.00 C ATOM 561 C ALA A 34 13.612 -6.548 22.776 1.00 0.00 C ATOM 562 O ALA A 34 13.863 -6.563 23.978 1.00 0.00 O ATOM 563 CB ALA A 34 15.125 -4.952 21.546 1.00 0.00 C ATOM 0 H ALA A 34 14.188 -6.328 19.745 1.00 0.00 H new ATOM 0 HA ALA A 34 15.616 -6.942 22.154 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.427 -4.511 22.496 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.951 -4.890 20.838 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.267 -4.409 21.151 1.00 0.00 H new ATOM 569 N SER A 35 12.369 -6.648 22.299 1.00 0.00 N ATOM 570 CA SER A 35 11.218 -6.773 23.179 1.00 0.00 C ATOM 571 C SER A 35 11.110 -8.188 23.731 1.00 0.00 C ATOM 572 O SER A 35 10.899 -8.384 24.928 1.00 0.00 O ATOM 573 CB SER A 35 9.962 -6.412 22.391 1.00 0.00 C ATOM 574 OG SER A 35 8.839 -6.438 23.246 1.00 0.00 O ATOM 0 H SER A 35 12.140 -6.644 21.305 1.00 0.00 H new ATOM 0 HA SER A 35 11.332 -6.096 24.026 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.071 -5.422 21.948 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.822 -7.115 21.570 1.00 0.00 H new ATOM 0 HG SER A 35 8.035 -6.204 22.737 1.00 0.00 H new ATOM 580 N LEU A 36 11.254 -9.186 22.853 1.00 0.00 N ATOM 581 CA LEU A 36 11.118 -10.576 23.252 1.00 0.00 C ATOM 582 C LEU A 36 12.325 -11.051 24.047 1.00 0.00 C ATOM 583 O LEU A 36 12.202 -11.996 24.819 1.00 0.00 O ATOM 584 CB LEU A 36 10.845 -11.453 22.027 1.00 0.00 C ATOM 585 CG LEU A 36 12.043 -11.605 21.081 1.00 0.00 C ATOM 586 CD1 LEU A 36 13.013 -12.707 21.499 1.00 0.00 C ATOM 587 CD2 LEU A 36 11.524 -11.980 19.698 1.00 0.00 C ATOM 0 H LEU A 36 11.464 -9.049 21.864 1.00 0.00 H new ATOM 0 HA LEU A 36 10.261 -10.663 23.920 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.535 -12.442 22.364 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.009 -11.030 21.471 1.00 0.00 H new ATOM 0 HG LEU A 36 12.575 -10.654 21.100 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.835 -12.758 20.785 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.407 -12.488 22.491 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.490 -13.663 21.519 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.364 -12.092 19.012 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.976 -12.920 19.758 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.860 -11.196 19.334 1.00 0.00 H new ATOM 599 N VAL A 37 13.489 -10.418 23.865 1.00 0.00 N ATOM 600 CA VAL A 37 14.701 -10.826 24.562 1.00 0.00 C ATOM 601 C VAL A 37 14.852 -10.126 25.915 1.00 0.00 C ATOM 602 O VAL A 37 15.587 -10.609 26.769 1.00 0.00 O ATOM 603 CB VAL A 37 15.912 -10.609 23.651 1.00 0.00 C ATOM 604 CG1 VAL A 37 16.350 -9.153 23.708 1.00 0.00 C ATOM 605 CG2 VAL A 37 17.079 -11.493 24.082 1.00 0.00 C ATOM 0 H VAL A 37 13.611 -9.622 23.240 1.00 0.00 H new ATOM 0 HA VAL A 37 14.631 -11.889 24.792 1.00 0.00 H new ATOM 0 HB VAL A 37 15.621 -10.871 22.634 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.212 -9.007 23.057 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.532 -8.514 23.376 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.620 -8.894 24.732 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.928 -11.322 23.421 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.362 -11.249 25.106 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.782 -12.540 24.028 1.00 0.00 H new ATOM 615 N SER A 38 14.167 -8.996 26.126 1.00 0.00 N ATOM 616 CA SER A 38 14.255 -8.254 27.380 1.00 0.00 C ATOM 617 C SER A 38 13.661 -9.030 28.554 1.00 0.00 C ATOM 618 O SER A 38 13.830 -8.618 29.702 1.00 0.00 O ATOM 619 CB SER A 38 13.542 -6.912 27.233 1.00 0.00 C ATOM 620 OG SER A 38 14.328 -6.021 26.471 1.00 0.00 O ATOM 0 H SER A 38 13.543 -8.577 25.437 1.00 0.00 H new ATOM 0 HA SER A 38 15.312 -8.096 27.595 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.575 -7.057 26.752 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.348 -6.486 28.217 1.00 0.00 H new ATOM 0 HG SER A 38 14.016 -6.022 25.542 1.00 0.00 H new ATOM 626 N ARG A 39 12.973 -10.147 28.291 1.00 0.00 N ATOM 627 CA ARG A 39 12.476 -11.020 29.348 1.00 0.00 C ATOM 628 C ARG A 39 13.442 -12.170 29.631 1.00 0.00 C ATOM 629 O ARG A 39 13.195 -12.956 30.544 1.00 0.00 O ATOM 630 CB ARG A 39 11.063 -11.513 29.028 1.00 0.00 C ATOM 631 CG ARG A 39 11.059 -12.462 27.833 1.00 0.00 C ATOM 632 CD ARG A 39 9.634 -12.908 27.507 1.00 0.00 C ATOM 633 NE ARG A 39 8.806 -11.782 27.060 1.00 0.00 N ATOM 634 CZ ARG A 39 7.505 -11.880 26.764 1.00 0.00 C ATOM 635 NH1 ARG A 39 6.869 -13.044 26.870 1.00 0.00 N ATOM 636 NH2 ARG A 39 6.831 -10.808 26.360 1.00 0.00 N ATOM 0 H ARG A 39 12.749 -10.465 27.348 1.00 0.00 H new ATOM 0 HA ARG A 39 12.415 -10.436 30.266 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.648 -12.021 29.899 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.418 -10.660 28.819 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.498 -11.967 26.967 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.678 -13.333 28.051 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.660 -13.673 26.731 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.184 -13.364 28.389 1.00 0.00 H new ATOM 0 HE ARG A 39 9.250 -10.868 26.969 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.374 -13.874 27.180 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.877 -13.106 26.641 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.306 -9.909 26.275 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.839 -10.884 26.135 1.00 0.00 H new ATOM 650 N TYR A 40 14.528 -12.272 28.858 1.00 0.00 N ATOM 651 CA TYR A 40 15.533 -13.309 29.041 1.00 0.00 C ATOM 652 C TYR A 40 16.849 -12.714 29.551 1.00 0.00 C ATOM 653 O TYR A 40 17.662 -13.438 30.117 1.00 0.00 O ATOM 654 CB TYR A 40 15.735 -14.063 27.723 1.00 0.00 C ATOM 655 CG TYR A 40 14.517 -14.831 27.254 1.00 0.00 C ATOM 656 CD1 TYR A 40 14.226 -16.089 27.801 1.00 0.00 C ATOM 657 CD2 TYR A 40 13.679 -14.289 26.269 1.00 0.00 C ATOM 658 CE1 TYR A 40 13.101 -16.804 27.366 1.00 0.00 C ATOM 659 CE2 TYR A 40 12.564 -15.003 25.815 1.00 0.00 C ATOM 660 CZ TYR A 40 12.264 -16.261 26.372 1.00 0.00 C ATOM 661 OH TYR A 40 11.170 -16.950 25.942 1.00 0.00 O ATOM 0 H TYR A 40 14.730 -11.634 28.088 1.00 0.00 H new ATOM 0 HA TYR A 40 15.185 -14.013 29.797 1.00 0.00 H new ATOM 0 HB2 TYR A 40 16.021 -13.350 26.950 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.567 -14.758 27.839 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.870 -16.508 28.560 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.895 -13.314 25.858 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.877 -17.770 27.793 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.936 -14.590 25.040 1.00 0.00 H new ATOM 0 HH TYR A 40 10.705 -16.429 25.255 1.00 0.00 H new ATOM 671 N VAL A 41 17.062 -11.405 29.359 1.00 0.00 N ATOM 672 CA VAL A 41 18.202 -10.672 29.907 1.00 0.00 C ATOM 673 C VAL A 41 17.751 -9.282 30.348 1.00 0.00 C ATOM 674 O VAL A 41 16.787 -8.748 29.797 1.00 0.00 O ATOM 675 CB VAL A 41 19.342 -10.557 28.887 1.00 0.00 C ATOM 676 CG1 VAL A 41 20.084 -11.886 28.757 1.00 0.00 C ATOM 677 CG2 VAL A 41 18.833 -10.118 27.514 1.00 0.00 C ATOM 0 H VAL A 41 16.434 -10.820 28.809 1.00 0.00 H new ATOM 0 HA VAL A 41 18.582 -11.226 30.766 1.00 0.00 H new ATOM 0 HB VAL A 41 20.027 -9.794 29.256 1.00 0.00 H new ATOM 0 HG11 VAL A 41 20.889 -11.784 28.029 1.00 0.00 H new ATOM 0 HG12 VAL A 41 20.503 -12.165 29.724 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.391 -12.659 28.425 1.00 0.00 H new ATOM 0 HG21 VAL A 41 19.671 -10.049 26.820 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.114 -10.848 27.142 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.351 -9.144 27.599 1.00 0.00 H new ATOM 687 N PRO A 42 18.431 -8.682 31.336 1.00 0.00 N ATOM 688 CA PRO A 42 18.097 -7.370 31.864 1.00 0.00 C ATOM 689 C PRO A 42 18.396 -6.271 30.846 1.00 0.00 C ATOM 690 O PRO A 42 19.066 -6.501 29.837 1.00 0.00 O ATOM 691 CB PRO A 42 18.951 -7.220 33.126 1.00 0.00 C ATOM 692 CG PRO A 42 20.179 -8.063 32.800 1.00 0.00 C ATOM 693 CD PRO A 42 19.581 -9.236 32.026 1.00 0.00 C ATOM 0 HA PRO A 42 17.034 -7.278 32.086 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.213 -6.179 33.317 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.432 -7.586 34.012 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.903 -7.510 32.202 1.00 0.00 H new ATOM 0 HG3 PRO A 42 20.695 -8.393 33.701 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.301 -9.653 31.322 1.00 0.00 H new ATOM 0 HD3 PRO A 42 19.288 -10.043 32.697 1.00 0.00 H new ATOM 701 N SER A 43 17.893 -5.065 31.116 1.00 0.00 N ATOM 702 CA SER A 43 18.020 -3.929 30.210 1.00 0.00 C ATOM 703 C SER A 43 19.472 -3.476 30.042 1.00 0.00 C ATOM 704 O SER A 43 19.764 -2.681 29.149 1.00 0.00 O ATOM 705 CB SER A 43 17.174 -2.769 30.739 1.00 0.00 C ATOM 706 OG SER A 43 15.830 -3.183 30.881 1.00 0.00 O ATOM 0 H SER A 43 17.384 -4.851 31.974 1.00 0.00 H new ATOM 0 HA SER A 43 17.666 -4.244 29.228 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.563 -2.431 31.699 1.00 0.00 H new ATOM 0 HB3 SER A 43 17.233 -1.922 30.055 1.00 0.00 H new ATOM 0 HG SER A 43 15.292 -2.438 31.222 1.00 0.00 H new ATOM 712 N GLY A 44 20.384 -3.972 30.883 1.00 0.00 N ATOM 713 CA GLY A 44 21.795 -3.626 30.795 1.00 0.00 C ATOM 714 C GLY A 44 22.575 -4.554 29.866 1.00 0.00 C ATOM 715 O GLY A 44 23.665 -4.193 29.420 1.00 0.00 O ATOM 0 H GLY A 44 20.161 -4.621 31.638 1.00 0.00 H new ATOM 0 HA2 GLY A 44 21.891 -2.600 30.441 1.00 0.00 H new ATOM 0 HA3 GLY A 44 22.236 -3.662 31.791 1.00 0.00 H new ATOM 719 N ASP A 45 22.033 -5.737 29.569 1.00 0.00 N ATOM 720 CA ASP A 45 22.704 -6.732 28.740 1.00 0.00 C ATOM 721 C ASP A 45 21.942 -7.007 27.445 1.00 0.00 C ATOM 722 O ASP A 45 22.438 -7.724 26.576 1.00 0.00 O ATOM 723 CB ASP A 45 22.894 -8.012 29.549 1.00 0.00 C ATOM 724 CG ASP A 45 23.870 -7.800 30.702 1.00 0.00 C ATOM 725 OD1 ASP A 45 25.091 -7.849 30.436 1.00 0.00 O ATOM 726 OD2 ASP A 45 23.389 -7.593 31.839 1.00 0.00 O ATOM 0 H ASP A 45 21.113 -6.030 29.899 1.00 0.00 H new ATOM 0 HA ASP A 45 23.678 -6.339 28.447 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.932 -8.343 29.940 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.263 -8.804 28.898 1.00 0.00 H new ATOM 731 N VAL A 46 20.738 -6.444 27.302 1.00 0.00 N ATOM 732 CA VAL A 46 19.930 -6.670 26.111 1.00 0.00 C ATOM 733 C VAL A 46 20.526 -6.084 24.828 1.00 0.00 C ATOM 734 O VAL A 46 20.370 -6.712 23.780 1.00 0.00 O ATOM 735 CB VAL A 46 18.499 -6.172 26.341 1.00 0.00 C ATOM 736 CG1 VAL A 46 18.404 -4.701 26.733 1.00 0.00 C ATOM 737 CG2 VAL A 46 17.682 -6.359 25.065 1.00 0.00 C ATOM 0 H VAL A 46 20.308 -5.832 27.995 1.00 0.00 H new ATOM 0 HA VAL A 46 19.917 -7.748 25.949 1.00 0.00 H new ATOM 0 HB VAL A 46 18.115 -6.762 27.173 1.00 0.00 H new ATOM 0 HG11 VAL A 46 17.358 -4.430 26.877 1.00 0.00 H new ATOM 0 HG12 VAL A 46 18.953 -4.535 27.660 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.833 -4.085 25.943 1.00 0.00 H new ATOM 0 HG21 VAL A 46 16.664 -6.005 25.229 1.00 0.00 H new ATOM 0 HG22 VAL A 46 18.138 -5.790 24.254 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.660 -7.416 24.799 1.00 0.00 H new ATOM 747 N PRO A 47 21.197 -4.922 24.829 1.00 0.00 N ATOM 748 CA PRO A 47 21.617 -4.315 23.579 1.00 0.00 C ATOM 749 C PRO A 47 22.794 -5.069 22.966 1.00 0.00 C ATOM 750 O PRO A 47 23.000 -5.017 21.755 1.00 0.00 O ATOM 751 CB PRO A 47 22.003 -2.886 23.946 1.00 0.00 C ATOM 752 CG PRO A 47 22.524 -3.037 25.372 1.00 0.00 C ATOM 753 CD PRO A 47 21.596 -4.099 25.961 1.00 0.00 C ATOM 0 HA PRO A 47 20.828 -4.342 22.827 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.765 -2.487 23.276 1.00 0.00 H new ATOM 0 HB3 PRO A 47 21.149 -2.210 23.896 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.566 -3.356 25.390 1.00 0.00 H new ATOM 0 HG3 PRO A 47 22.468 -2.099 25.925 1.00 0.00 H new ATOM 0 HD2 PRO A 47 22.107 -4.692 26.719 1.00 0.00 H new ATOM 0 HD3 PRO A 47 20.730 -3.644 26.442 1.00 0.00 H new ATOM 761 N ASP A 48 23.565 -5.775 23.794 1.00 0.00 N ATOM 762 CA ASP A 48 24.699 -6.542 23.307 1.00 0.00 C ATOM 763 C ASP A 48 24.224 -7.892 22.778 1.00 0.00 C ATOM 764 O ASP A 48 24.828 -8.443 21.859 1.00 0.00 O ATOM 765 CB ASP A 48 25.704 -6.727 24.440 1.00 0.00 C ATOM 766 CG ASP A 48 26.988 -7.385 23.941 1.00 0.00 C ATOM 767 OD1 ASP A 48 27.745 -6.697 23.223 1.00 0.00 O ATOM 768 OD2 ASP A 48 27.205 -8.571 24.278 1.00 0.00 O ATOM 0 H ASP A 48 23.421 -5.828 24.802 1.00 0.00 H new ATOM 0 HA ASP A 48 25.183 -6.007 22.490 1.00 0.00 H new ATOM 0 HB2 ASP A 48 25.938 -5.759 24.883 1.00 0.00 H new ATOM 0 HB3 ASP A 48 25.261 -7.339 25.226 1.00 0.00 H new ATOM 773 N VAL A 49 23.140 -8.423 23.354 1.00 0.00 N ATOM 774 CA VAL A 49 22.571 -9.692 22.930 1.00 0.00 C ATOM 775 C VAL A 49 21.778 -9.507 21.637 1.00 0.00 C ATOM 776 O VAL A 49 21.699 -10.434 20.833 1.00 0.00 O ATOM 777 CB VAL A 49 21.702 -10.253 24.057 1.00 0.00 C ATOM 778 CG1 VAL A 49 20.901 -11.470 23.603 1.00 0.00 C ATOM 779 CG2 VAL A 49 22.592 -10.685 25.223 1.00 0.00 C ATOM 0 H VAL A 49 22.639 -7.981 24.125 1.00 0.00 H new ATOM 0 HA VAL A 49 23.366 -10.408 22.722 1.00 0.00 H new ATOM 0 HB VAL A 49 21.011 -9.465 24.357 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.297 -11.838 24.432 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.249 -11.189 22.776 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.584 -12.254 23.276 1.00 0.00 H new ATOM 0 HG21 VAL A 49 21.972 -11.085 26.025 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.287 -11.453 24.885 1.00 0.00 H new ATOM 0 HG23 VAL A 49 23.152 -9.825 25.591 1.00 0.00 H new ATOM 789 N VAL A 50 21.193 -8.325 21.420 1.00 0.00 N ATOM 790 CA VAL A 50 20.500 -8.034 20.168 1.00 0.00 C ATOM 791 C VAL A 50 21.520 -7.857 19.051 1.00 0.00 C ATOM 792 O VAL A 50 21.247 -8.211 17.904 1.00 0.00 O ATOM 793 CB VAL A 50 19.631 -6.786 20.335 1.00 0.00 C ATOM 794 CG1 VAL A 50 19.091 -6.297 18.990 1.00 0.00 C ATOM 795 CG2 VAL A 50 18.441 -7.114 21.232 1.00 0.00 C ATOM 0 H VAL A 50 21.187 -7.559 22.094 1.00 0.00 H new ATOM 0 HA VAL A 50 19.846 -8.865 19.904 1.00 0.00 H new ATOM 0 HB VAL A 50 20.251 -6.005 20.775 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.478 -5.409 19.145 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.924 -6.052 18.331 1.00 0.00 H new ATOM 0 HG13 VAL A 50 18.486 -7.081 18.534 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.820 -6.226 21.352 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.851 -7.910 20.777 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.800 -7.441 22.208 1.00 0.00 H new ATOM 805 N GLN A 51 22.701 -7.313 19.364 1.00 0.00 N ATOM 806 CA GLN A 51 23.741 -7.155 18.365 1.00 0.00 C ATOM 807 C GLN A 51 24.339 -8.512 18.026 1.00 0.00 C ATOM 808 O GLN A 51 24.566 -8.801 16.855 1.00 0.00 O ATOM 809 CB GLN A 51 24.804 -6.183 18.880 1.00 0.00 C ATOM 810 CG GLN A 51 25.880 -5.961 17.817 1.00 0.00 C ATOM 811 CD GLN A 51 26.891 -4.891 18.228 1.00 0.00 C ATOM 812 OE1 GLN A 51 26.822 -4.330 19.320 1.00 0.00 O ATOM 813 NE2 GLN A 51 27.846 -4.598 17.351 1.00 0.00 N ATOM 0 H GLN A 51 22.951 -6.980 20.295 1.00 0.00 H new ATOM 0 HA GLN A 51 23.318 -6.739 17.451 1.00 0.00 H new ATOM 0 HB2 GLN A 51 24.340 -5.232 19.142 1.00 0.00 H new ATOM 0 HB3 GLN A 51 25.257 -6.578 19.789 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.403 -6.899 17.631 1.00 0.00 H new ATOM 0 HG3 GLN A 51 25.406 -5.669 16.880 1.00 0.00 H new ATOM 0 HE21 GLN A 51 27.879 -5.080 16.452 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.546 -3.892 17.577 1.00 0.00 H new ATOM 822 N GLU A 52 24.598 -9.362 19.027 1.00 0.00 N ATOM 823 CA GLU A 52 25.144 -10.683 18.756 1.00 0.00 C ATOM 824 C GLU A 52 24.121 -11.511 17.983 1.00 0.00 C ATOM 825 O GLU A 52 24.503 -12.363 17.184 1.00 0.00 O ATOM 826 CB GLU A 52 25.523 -11.366 20.073 1.00 0.00 C ATOM 827 CG GLU A 52 26.177 -12.722 19.786 1.00 0.00 C ATOM 828 CD GLU A 52 26.547 -13.479 21.059 1.00 0.00 C ATOM 829 OE1 GLU A 52 26.993 -12.823 22.026 1.00 0.00 O ATOM 830 OE2 GLU A 52 26.381 -14.719 21.056 1.00 0.00 O ATOM 0 H GLU A 52 24.439 -9.157 20.014 1.00 0.00 H new ATOM 0 HA GLU A 52 26.044 -10.592 18.147 1.00 0.00 H new ATOM 0 HB2 GLU A 52 26.209 -10.734 20.637 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.635 -11.504 20.690 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.496 -13.331 19.191 1.00 0.00 H new ATOM 0 HG3 GLU A 52 27.074 -12.568 19.186 1.00 0.00 H new ATOM 837 N ALA A 53 22.828 -11.267 18.206 1.00 0.00 N ATOM 838 CA ALA A 53 21.788 -11.996 17.508 1.00 0.00 C ATOM 839 C ALA A 53 21.749 -11.611 16.029 1.00 0.00 C ATOM 840 O ALA A 53 21.367 -12.431 15.198 1.00 0.00 O ATOM 841 CB ALA A 53 20.442 -11.718 18.176 1.00 0.00 C ATOM 0 H ALA A 53 22.485 -10.569 18.866 1.00 0.00 H new ATOM 0 HA ALA A 53 22.003 -13.063 17.563 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.657 -12.265 17.654 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.479 -12.041 19.216 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.229 -10.650 18.135 1.00 0.00 H new ATOM 847 N PHE A 54 22.136 -10.381 15.685 1.00 0.00 N ATOM 848 CA PHE A 54 22.162 -9.960 14.292 1.00 0.00 C ATOM 849 C PHE A 54 23.471 -10.359 13.614 1.00 0.00 C ATOM 850 O PHE A 54 23.487 -10.586 12.405 1.00 0.00 O ATOM 851 CB PHE A 54 21.915 -8.453 14.202 1.00 0.00 C ATOM 852 CG PHE A 54 20.510 -8.019 14.582 1.00 0.00 C ATOM 853 CD1 PHE A 54 19.403 -8.819 14.252 1.00 0.00 C ATOM 854 CD2 PHE A 54 20.309 -6.806 15.259 1.00 0.00 C ATOM 855 CE1 PHE A 54 18.109 -8.412 14.595 1.00 0.00 C ATOM 856 CE2 PHE A 54 19.013 -6.389 15.585 1.00 0.00 C ATOM 857 CZ PHE A 54 17.914 -7.193 15.252 1.00 0.00 C ATOM 0 H PHE A 54 22.433 -9.667 16.350 1.00 0.00 H new ATOM 0 HA PHE A 54 21.363 -10.472 13.756 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.627 -7.942 14.850 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.119 -8.125 13.183 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.552 -9.753 13.731 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.156 -6.193 15.529 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.263 -9.038 14.353 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.860 -5.448 16.093 1.00 0.00 H new ATOM 0 HZ PHE A 54 16.914 -6.870 15.503 1.00 0.00 H new ATOM 867 N ILE A 55 24.568 -10.452 14.370 1.00 0.00 N ATOM 868 CA ILE A 55 25.831 -10.921 13.814 1.00 0.00 C ATOM 869 C ILE A 55 25.732 -12.427 13.578 1.00 0.00 C ATOM 870 O ILE A 55 26.262 -12.944 12.596 1.00 0.00 O ATOM 871 CB ILE A 55 26.975 -10.584 14.783 1.00 0.00 C ATOM 872 CG1 ILE A 55 27.107 -9.062 14.940 1.00 0.00 C ATOM 873 CG2 ILE A 55 28.291 -11.178 14.268 1.00 0.00 C ATOM 874 CD1 ILE A 55 28.108 -8.684 16.033 1.00 0.00 C ATOM 0 H ILE A 55 24.604 -10.210 15.360 1.00 0.00 H new ATOM 0 HA ILE A 55 26.038 -10.428 12.864 1.00 0.00 H new ATOM 0 HB ILE A 55 26.750 -11.017 15.757 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.423 -8.626 13.992 1.00 0.00 H new ATOM 0 HG13 ILE A 55 26.132 -8.636 15.178 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.096 -10.934 14.961 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.195 -12.261 14.190 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.519 -10.762 13.287 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.170 -7.598 16.110 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.779 -9.097 16.986 1.00 0.00 H new ATOM 0 HD13 ILE A 55 29.089 -9.087 15.783 1.00 0.00 H new ATOM 886 N LYS A 56 25.045 -13.133 14.482 1.00 0.00 N ATOM 887 CA LYS A 56 24.860 -14.572 14.402 1.00 0.00 C ATOM 888 C LYS A 56 23.787 -14.929 13.381 1.00 0.00 C ATOM 889 O LYS A 56 23.860 -15.985 12.753 1.00 0.00 O ATOM 890 CB LYS A 56 24.484 -15.057 15.801 1.00 0.00 C ATOM 891 CG LYS A 56 24.354 -16.578 15.886 1.00 0.00 C ATOM 892 CD LYS A 56 23.973 -16.986 17.312 1.00 0.00 C ATOM 893 CE LYS A 56 25.002 -16.455 18.310 1.00 0.00 C ATOM 894 NZ LYS A 56 24.653 -16.813 19.695 1.00 0.00 N ATOM 0 H LYS A 56 24.600 -12.710 15.296 1.00 0.00 H new ATOM 0 HA LYS A 56 25.776 -15.060 14.068 1.00 0.00 H new ATOM 0 HB2 LYS A 56 25.239 -14.721 16.512 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.540 -14.599 16.098 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.598 -16.928 15.183 1.00 0.00 H new ATOM 0 HG3 LYS A 56 25.295 -17.049 15.602 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.985 -16.597 17.557 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.914 -18.072 17.383 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.986 -16.857 18.067 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.070 -15.371 18.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.326 -16.365 20.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.690 -16.481 19.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.696 -17.846 19.808 1.00 0.00 H new ATOM 908 N ALA A 57 22.792 -14.056 13.206 1.00 0.00 N ATOM 909 CA ALA A 57 21.739 -14.312 12.240 1.00 0.00 C ATOM 910 C ALA A 57 22.291 -14.209 10.823 1.00 0.00 C ATOM 911 O ALA A 57 21.961 -15.038 9.988 1.00 0.00 O ATOM 912 CB ALA A 57 20.590 -13.320 12.439 1.00 0.00 C ATOM 0 H ALA A 57 22.700 -13.178 13.717 1.00 0.00 H new ATOM 0 HA ALA A 57 21.357 -15.322 12.392 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.806 -13.521 11.709 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.186 -13.428 13.445 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.959 -12.303 12.304 1.00 0.00 H new ATOM 918 N TYR A 58 23.129 -13.210 10.536 1.00 0.00 N ATOM 919 CA TYR A 58 23.646 -13.023 9.189 1.00 0.00 C ATOM 920 C TYR A 58 24.475 -14.222 8.737 1.00 0.00 C ATOM 921 O TYR A 58 24.411 -14.629 7.578 1.00 0.00 O ATOM 922 CB TYR A 58 24.511 -11.770 9.172 1.00 0.00 C ATOM 923 CG TYR A 58 24.990 -11.401 7.789 1.00 0.00 C ATOM 924 CD1 TYR A 58 24.071 -10.973 6.822 1.00 0.00 C ATOM 925 CD2 TYR A 58 26.353 -11.496 7.475 1.00 0.00 C ATOM 926 CE1 TYR A 58 24.517 -10.604 5.546 1.00 0.00 C ATOM 927 CE2 TYR A 58 26.804 -11.143 6.199 1.00 0.00 C ATOM 928 CZ TYR A 58 25.888 -10.692 5.226 1.00 0.00 C ATOM 929 OH TYR A 58 26.325 -10.344 3.982 1.00 0.00 O ATOM 0 H TYR A 58 23.459 -12.526 11.217 1.00 0.00 H new ATOM 0 HA TYR A 58 22.806 -12.922 8.502 1.00 0.00 H new ATOM 0 HB2 TYR A 58 23.943 -10.938 9.588 1.00 0.00 H new ATOM 0 HB3 TYR A 58 25.374 -11.922 9.820 1.00 0.00 H new ATOM 0 HD1 TYR A 58 23.019 -10.927 7.060 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.055 -11.842 8.219 1.00 0.00 H new ATOM 0 HE1 TYR A 58 23.811 -10.252 4.808 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.854 -11.216 5.959 1.00 0.00 H new ATOM 0 HH TYR A 58 27.296 -10.463 3.931 1.00 0.00 H new ATOM 939 N ARG A 59 25.252 -14.795 9.660 1.00 0.00 N ATOM 940 CA ARG A 59 26.099 -15.943 9.370 1.00 0.00 C ATOM 941 C ARG A 59 25.266 -17.203 9.161 1.00 0.00 C ATOM 942 O ARG A 59 25.701 -18.123 8.471 1.00 0.00 O ATOM 943 CB ARG A 59 27.068 -16.127 10.534 1.00 0.00 C ATOM 944 CG ARG A 59 28.000 -14.919 10.642 1.00 0.00 C ATOM 945 CD ARG A 59 28.772 -15.011 11.954 1.00 0.00 C ATOM 946 NE ARG A 59 29.796 -13.968 12.042 1.00 0.00 N ATOM 947 CZ ARG A 59 30.626 -13.824 13.078 1.00 0.00 C ATOM 948 NH1 ARG A 59 30.564 -14.644 14.126 1.00 0.00 N ATOM 949 NH2 ARG A 59 31.531 -12.850 13.071 1.00 0.00 N ATOM 0 H ARG A 59 25.308 -14.473 10.626 1.00 0.00 H new ATOM 0 HA ARG A 59 26.651 -15.766 8.447 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.512 -16.251 11.463 1.00 0.00 H new ATOM 0 HB3 ARG A 59 27.653 -17.035 10.389 1.00 0.00 H new ATOM 0 HG2 ARG A 59 28.690 -14.898 9.799 1.00 0.00 H new ATOM 0 HG3 ARG A 59 27.425 -13.994 10.606 1.00 0.00 H new ATOM 0 HD2 ARG A 59 28.082 -14.918 12.792 1.00 0.00 H new ATOM 0 HD3 ARG A 59 29.241 -15.992 12.035 1.00 0.00 H new ATOM 0 HE ARG A 59 29.880 -13.312 11.265 1.00 0.00 H new ATOM 0 HH11 ARG A 59 29.875 -15.396 14.145 1.00 0.00 H new ATOM 0 HH12 ARG A 59 31.206 -14.520 14.909 1.00 0.00 H new ATOM 0 HH21 ARG A 59 31.590 -12.215 12.275 1.00 0.00 H new ATOM 0 HH22 ARG A 59 32.166 -12.738 13.861 1.00 0.00 H new ATOM 963 N ALA A 60 24.070 -17.246 9.756 1.00 0.00 N ATOM 964 CA ALA A 60 23.140 -18.353 9.586 1.00 0.00 C ATOM 965 C ALA A 60 22.116 -18.059 8.483 1.00 0.00 C ATOM 966 O ALA A 60 21.378 -18.953 8.073 1.00 0.00 O ATOM 967 CB ALA A 60 22.450 -18.621 10.921 1.00 0.00 C ATOM 0 H ALA A 60 23.724 -16.509 10.370 1.00 0.00 H new ATOM 0 HA ALA A 60 23.690 -19.241 9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.750 -19.449 10.809 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.197 -18.877 11.672 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.910 -17.729 11.237 1.00 0.00 H new ATOM 973 N LEU A 61 22.061 -16.814 7.999 1.00 0.00 N ATOM 974 CA LEU A 61 21.105 -16.401 6.985 1.00 0.00 C ATOM 975 C LEU A 61 21.522 -16.934 5.618 1.00 0.00 C ATOM 976 O LEU A 61 20.683 -17.105 4.736 1.00 0.00 O ATOM 977 CB LEU A 61 21.032 -14.873 6.975 1.00 0.00 C ATOM 978 CG LEU A 61 19.837 -14.359 6.184 1.00 0.00 C ATOM 979 CD1 LEU A 61 18.533 -14.711 6.888 1.00 0.00 C ATOM 980 CD2 LEU A 61 19.935 -12.842 6.094 1.00 0.00 C ATOM 0 H LEU A 61 22.684 -16.067 8.305 1.00 0.00 H new ATOM 0 HA LEU A 61 20.120 -16.808 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 61 20.971 -14.507 8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.950 -14.470 6.546 1.00 0.00 H new ATOM 0 HG LEU A 61 19.844 -14.817 5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.692 -14.334 6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.452 -15.794 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.520 -14.257 7.879 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.086 -12.455 5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.928 -12.417 7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.861 -12.567 5.590 1.00 0.00 H new ATOM 992 N ASP A 62 22.817 -17.201 5.445 1.00 0.00 N ATOM 993 CA ASP A 62 23.329 -17.840 4.241 1.00 0.00 C ATOM 994 C ASP A 62 22.849 -19.294 4.160 1.00 0.00 C ATOM 995 O ASP A 62 23.016 -19.944 3.130 1.00 0.00 O ATOM 996 CB ASP A 62 24.856 -17.763 4.262 1.00 0.00 C ATOM 997 CG ASP A 62 25.469 -18.288 2.967 1.00 0.00 C ATOM 998 OD1 ASP A 62 25.160 -17.700 1.904 1.00 0.00 O ATOM 999 OD2 ASP A 62 26.243 -19.267 3.048 1.00 0.00 O ATOM 0 H ASP A 62 23.535 -16.980 6.135 1.00 0.00 H new ATOM 0 HA ASP A 62 22.954 -17.325 3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.165 -16.729 4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.237 -18.340 5.104 1.00 0.00 H new ATOM 1004 N SER A 63 22.252 -19.803 5.247 1.00 0.00 N ATOM 1005 CA SER A 63 21.737 -21.161 5.322 1.00 0.00 C ATOM 1006 C SER A 63 20.207 -21.183 5.377 1.00 0.00 C ATOM 1007 O SER A 63 19.611 -22.256 5.458 1.00 0.00 O ATOM 1008 CB SER A 63 22.338 -21.864 6.537 1.00 0.00 C ATOM 1009 OG SER A 63 23.751 -21.861 6.454 1.00 0.00 O ATOM 0 H SER A 63 22.116 -19.269 6.105 1.00 0.00 H new ATOM 0 HA SER A 63 22.029 -21.694 4.417 1.00 0.00 H new ATOM 0 HB2 SER A 63 22.019 -21.363 7.451 1.00 0.00 H new ATOM 0 HB3 SER A 63 21.972 -22.889 6.591 1.00 0.00 H new ATOM 0 HG SER A 63 24.126 -22.313 7.239 1.00 0.00 H new ATOM 1015 N PHE A 64 19.567 -20.009 5.335 1.00 0.00 N ATOM 1016 CA PHE A 64 18.118 -19.895 5.315 1.00 0.00 C ATOM 1017 C PHE A 64 17.590 -20.289 3.937 1.00 0.00 C ATOM 1018 O PHE A 64 18.249 -20.045 2.927 1.00 0.00 O ATOM 1019 CB PHE A 64 17.729 -18.461 5.684 1.00 0.00 C ATOM 1020 CG PHE A 64 16.239 -18.218 5.743 1.00 0.00 C ATOM 1021 CD1 PHE A 64 15.492 -18.714 6.819 1.00 0.00 C ATOM 1022 CD2 PHE A 64 15.601 -17.497 4.725 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.111 -18.486 6.885 1.00 0.00 C ATOM 1024 CE2 PHE A 64 14.221 -17.264 4.790 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.475 -17.761 5.868 1.00 0.00 C ATOM 0 H PHE A 64 20.049 -19.111 5.314 1.00 0.00 H new ATOM 0 HA PHE A 64 17.671 -20.571 6.044 1.00 0.00 H new ATOM 0 HB2 PHE A 64 18.164 -18.217 6.653 1.00 0.00 H new ATOM 0 HB3 PHE A 64 18.168 -17.779 4.956 1.00 0.00 H new ATOM 0 HD1 PHE A 64 15.982 -19.275 7.601 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.173 -17.121 3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.538 -18.868 7.717 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.731 -16.701 4.009 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.410 -17.585 5.915 1.00 0.00 H new ATOM 1099 N PHE A 70 10.435 -15.604 8.054 1.00 0.00 N ATOM 1100 CA PHE A 70 11.692 -15.006 8.476 1.00 0.00 C ATOM 1101 C PHE A 70 11.613 -14.478 9.904 1.00 0.00 C ATOM 1102 O PHE A 70 12.599 -14.544 10.633 1.00 0.00 O ATOM 1103 CB PHE A 70 12.070 -13.865 7.532 1.00 0.00 C ATOM 1104 CG PHE A 70 13.316 -13.141 7.985 1.00 0.00 C ATOM 1105 CD1 PHE A 70 14.546 -13.811 7.997 1.00 0.00 C ATOM 1106 CD2 PHE A 70 13.243 -11.807 8.406 1.00 0.00 C ATOM 1107 CE1 PHE A 70 15.699 -13.151 8.437 1.00 0.00 C ATOM 1108 CE2 PHE A 70 14.399 -11.147 8.840 1.00 0.00 C ATOM 1109 CZ PHE A 70 15.631 -11.816 8.855 1.00 0.00 C ATOM 0 HA PHE A 70 12.455 -15.784 8.443 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.226 -14.262 6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.243 -13.158 7.470 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.605 -14.838 7.667 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.296 -11.288 8.396 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.644 -13.673 8.454 1.00 0.00 H new ATOM 0 HE2 PHE A 70 14.341 -10.119 9.164 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.523 -11.305 9.187 1.00 0.00 H new ATOM 1119 N TYR A 71 10.456 -13.952 10.318 1.00 0.00 N ATOM 1120 CA TYR A 71 10.343 -13.391 11.652 1.00 0.00 C ATOM 1121 C TYR A 71 10.420 -14.488 12.707 1.00 0.00 C ATOM 1122 O TYR A 71 11.008 -14.271 13.763 1.00 0.00 O ATOM 1123 CB TYR A 71 9.051 -12.578 11.780 1.00 0.00 C ATOM 1124 CG TYR A 71 7.769 -13.374 11.637 1.00 0.00 C ATOM 1125 CD1 TYR A 71 7.250 -14.060 12.746 1.00 0.00 C ATOM 1126 CD2 TYR A 71 7.101 -13.417 10.407 1.00 0.00 C ATOM 1127 CE1 TYR A 71 6.062 -14.796 12.626 1.00 0.00 C ATOM 1128 CE2 TYR A 71 5.908 -14.148 10.282 1.00 0.00 C ATOM 1129 CZ TYR A 71 5.386 -14.842 11.391 1.00 0.00 C ATOM 1130 OH TYR A 71 4.231 -15.555 11.270 1.00 0.00 O ATOM 0 H TYR A 71 9.606 -13.906 9.757 1.00 0.00 H new ATOM 0 HA TYR A 71 11.182 -12.716 11.820 1.00 0.00 H new ATOM 0 HB2 TYR A 71 9.046 -12.084 12.752 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.058 -11.793 11.024 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.766 -14.021 13.694 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.503 -12.889 9.555 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.666 -15.327 13.479 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.390 -14.178 9.335 1.00 0.00 H new ATOM 0 HH TYR A 71 3.895 -15.480 10.353 1.00 0.00 H new ATOM 1140 N THR A 72 9.842 -15.665 12.443 1.00 0.00 N ATOM 1141 CA THR A 72 9.905 -16.758 13.404 1.00 0.00 C ATOM 1142 C THR A 72 11.333 -17.279 13.486 1.00 0.00 C ATOM 1143 O THR A 72 11.818 -17.605 14.566 1.00 0.00 O ATOM 1144 CB THR A 72 8.963 -17.889 12.990 1.00 0.00 C ATOM 1145 OG1 THR A 72 7.648 -17.397 12.855 1.00 0.00 O ATOM 1146 CG2 THR A 72 8.960 -18.991 14.047 1.00 0.00 C ATOM 0 H THR A 72 9.334 -15.878 11.584 1.00 0.00 H new ATOM 0 HA THR A 72 9.594 -16.388 14.381 1.00 0.00 H new ATOM 0 HB THR A 72 9.312 -18.291 12.039 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.660 -16.418 12.890 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.285 -19.789 13.738 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.968 -19.391 14.159 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.625 -18.581 15.000 1.00 0.00 H new ATOM 1154 N TRP A 73 12.009 -17.362 12.340 1.00 0.00 N ATOM 1155 CA TRP A 73 13.366 -17.868 12.280 1.00 0.00 C ATOM 1156 C TRP A 73 14.334 -16.920 12.985 1.00 0.00 C ATOM 1157 O TRP A 73 15.319 -17.368 13.567 1.00 0.00 O ATOM 1158 CB TRP A 73 13.738 -18.041 10.807 1.00 0.00 C ATOM 1159 CG TRP A 73 15.152 -18.446 10.555 1.00 0.00 C ATOM 1160 CD1 TRP A 73 15.591 -19.715 10.399 1.00 0.00 C ATOM 1161 CD2 TRP A 73 16.331 -17.598 10.426 1.00 0.00 C ATOM 1162 NE1 TRP A 73 16.954 -19.712 10.193 1.00 0.00 N ATOM 1163 CE2 TRP A 73 17.466 -18.431 10.216 1.00 0.00 C ATOM 1164 CE3 TRP A 73 16.561 -16.208 10.478 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.759 -17.919 10.082 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 17.854 -15.684 10.339 1.00 0.00 C ATOM 1167 CH2 TRP A 73 18.950 -16.534 10.145 1.00 0.00 C ATOM 0 H TRP A 73 11.628 -17.081 11.437 1.00 0.00 H new ATOM 0 HA TRP A 73 13.432 -18.826 12.795 1.00 0.00 H new ATOM 0 HB2 TRP A 73 13.078 -18.789 10.367 1.00 0.00 H new ATOM 0 HB3 TRP A 73 13.547 -17.102 10.287 1.00 0.00 H new ATOM 0 HD1 TRP A 73 14.969 -20.597 10.431 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.514 -20.551 10.042 1.00 0.00 H new ATOM 0 HE3 TRP A 73 15.728 -15.537 10.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 19.598 -18.582 9.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 18.006 -14.616 10.382 1.00 0.00 H new ATOM 0 HH2 TRP A 73 19.943 -16.121 10.044 1.00 0.00 H new ATOM 1178 N LEU A 74 14.062 -15.613 12.935 1.00 0.00 N ATOM 1179 CA LEU A 74 14.926 -14.607 13.531 1.00 0.00 C ATOM 1180 C LEU A 74 14.683 -14.479 15.035 1.00 0.00 C ATOM 1181 O LEU A 74 15.621 -14.223 15.792 1.00 0.00 O ATOM 1182 CB LEU A 74 14.664 -13.281 12.816 1.00 0.00 C ATOM 1183 CG LEU A 74 15.576 -12.155 13.312 1.00 0.00 C ATOM 1184 CD1 LEU A 74 17.049 -12.480 13.069 1.00 0.00 C ATOM 1185 CD2 LEU A 74 15.221 -10.875 12.560 1.00 0.00 C ATOM 0 H LEU A 74 13.235 -15.229 12.478 1.00 0.00 H new ATOM 0 HA LEU A 74 15.969 -14.899 13.411 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.809 -13.416 11.744 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.623 -12.992 12.963 1.00 0.00 H new ATOM 0 HG LEU A 74 15.426 -12.035 14.385 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.667 -11.660 13.433 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.312 -13.395 13.599 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.220 -12.617 12.001 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.862 -10.062 12.902 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.368 -11.028 11.491 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.179 -10.619 12.749 1.00 0.00 H new ATOM 1197 N TYR A 75 13.438 -14.659 15.484 1.00 0.00 N ATOM 1198 CA TYR A 75 13.129 -14.571 16.906 1.00 0.00 C ATOM 1199 C TYR A 75 13.848 -15.678 17.678 1.00 0.00 C ATOM 1200 O TYR A 75 14.145 -15.509 18.859 1.00 0.00 O ATOM 1201 CB TYR A 75 11.617 -14.704 17.120 1.00 0.00 C ATOM 1202 CG TYR A 75 10.751 -13.584 16.577 1.00 0.00 C ATOM 1203 CD1 TYR A 75 11.305 -12.408 16.045 1.00 0.00 C ATOM 1204 CD2 TYR A 75 9.356 -13.740 16.610 1.00 0.00 C ATOM 1205 CE1 TYR A 75 10.471 -11.392 15.554 1.00 0.00 C ATOM 1206 CE2 TYR A 75 8.519 -12.728 16.121 1.00 0.00 C ATOM 1207 CZ TYR A 75 9.072 -11.549 15.593 1.00 0.00 C ATOM 1208 OH TYR A 75 8.256 -10.568 15.119 1.00 0.00 O ATOM 0 H TYR A 75 12.637 -14.864 14.887 1.00 0.00 H new ATOM 0 HA TYR A 75 13.467 -13.602 17.274 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.290 -15.639 16.664 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.431 -14.789 18.191 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.378 -12.285 16.014 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.926 -14.644 17.014 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.902 -10.490 15.146 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.447 -12.854 16.150 1.00 0.00 H new ATOM 0 HH TYR A 75 7.321 -10.842 15.222 1.00 0.00 H new ATOM 1218 N ARG A 76 14.132 -16.806 17.017 1.00 0.00 N ATOM 1219 CA ARG A 76 14.820 -17.926 17.652 1.00 0.00 C ATOM 1220 C ARG A 76 16.307 -17.639 17.811 1.00 0.00 C ATOM 1221 O ARG A 76 16.946 -18.214 18.693 1.00 0.00 O ATOM 1222 CB ARG A 76 14.606 -19.199 16.830 1.00 0.00 C ATOM 1223 CG ARG A 76 13.138 -19.628 16.736 1.00 0.00 C ATOM 1224 CD ARG A 76 12.555 -20.123 18.065 1.00 0.00 C ATOM 1225 NE ARG A 76 12.248 -19.016 18.981 1.00 0.00 N ATOM 1226 CZ ARG A 76 11.163 -18.241 18.892 1.00 0.00 C ATOM 1227 NH1 ARG A 76 10.258 -18.435 17.935 1.00 0.00 N ATOM 1228 NH2 ARG A 76 10.975 -17.257 19.765 1.00 0.00 N ATOM 0 H ARG A 76 13.893 -16.964 16.038 1.00 0.00 H new ATOM 0 HA ARG A 76 14.401 -18.068 18.648 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.995 -19.042 15.824 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.185 -20.009 17.273 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.544 -18.786 16.380 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.047 -20.419 15.992 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.648 -20.695 17.871 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.264 -20.801 18.541 1.00 0.00 H new ATOM 0 HE ARG A 76 12.907 -18.826 19.736 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.387 -19.184 17.255 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.435 -17.834 17.882 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.659 -17.093 20.504 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.147 -16.666 19.697 1.00 0.00 H new ATOM 1242 N ILE A 77 16.876 -16.766 16.976 1.00 0.00 N ATOM 1243 CA ILE A 77 18.287 -16.425 17.097 1.00 0.00 C ATOM 1244 C ILE A 77 18.510 -15.595 18.358 1.00 0.00 C ATOM 1245 O ILE A 77 19.508 -15.774 19.052 1.00 0.00 O ATOM 1246 CB ILE A 77 18.772 -15.638 15.870 1.00 0.00 C ATOM 1247 CG1 ILE A 77 18.436 -16.315 14.530 1.00 0.00 C ATOM 1248 CG2 ILE A 77 20.284 -15.438 15.969 1.00 0.00 C ATOM 1249 CD1 ILE A 77 19.014 -17.721 14.385 1.00 0.00 C ATOM 0 H ILE A 77 16.385 -16.290 16.219 1.00 0.00 H new ATOM 0 HA ILE A 77 18.858 -17.351 17.159 1.00 0.00 H new ATOM 0 HB ILE A 77 18.244 -14.685 15.879 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.353 -16.365 14.421 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.810 -15.693 13.716 1.00 0.00 H new ATOM 0 HG21 ILE A 77 20.635 -14.880 15.101 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.519 -14.882 16.877 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.778 -16.409 16.000 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.734 -18.131 13.415 1.00 0.00 H new ATOM 0 HD12 ILE A 77 20.101 -17.677 14.460 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.621 -18.359 15.176 1.00 0.00 H new ATOM 1261 N ALA A 78 17.582 -14.683 18.660 1.00 0.00 N ATOM 1262 CA ALA A 78 17.765 -13.750 19.760 1.00 0.00 C ATOM 1263 C ALA A 78 17.535 -14.393 21.125 1.00 0.00 C ATOM 1264 O ALA A 78 18.241 -14.062 22.079 1.00 0.00 O ATOM 1265 CB ALA A 78 16.827 -12.561 19.549 1.00 0.00 C ATOM 0 H ALA A 78 16.701 -14.576 18.156 1.00 0.00 H new ATOM 0 HA ALA A 78 18.803 -13.417 19.760 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.951 -11.850 20.366 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.065 -12.073 18.604 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.795 -12.911 19.526 1.00 0.00 H new ATOM 1271 N VAL A 79 16.567 -15.305 21.244 1.00 0.00 N ATOM 1272 CA VAL A 79 16.278 -15.912 22.539 1.00 0.00 C ATOM 1273 C VAL A 79 17.282 -17.007 22.877 1.00 0.00 C ATOM 1274 O VAL A 79 17.576 -17.230 24.049 1.00 0.00 O ATOM 1275 CB VAL A 79 14.832 -16.414 22.579 1.00 0.00 C ATOM 1276 CG1 VAL A 79 14.582 -17.522 21.564 1.00 0.00 C ATOM 1277 CG2 VAL A 79 14.500 -16.954 23.967 1.00 0.00 C ATOM 0 H VAL A 79 15.982 -15.632 20.475 1.00 0.00 H new ATOM 0 HA VAL A 79 16.383 -15.150 23.312 1.00 0.00 H new ATOM 0 HB VAL A 79 14.197 -15.563 22.334 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.544 -17.847 21.628 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.784 -17.148 20.560 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.240 -18.365 21.776 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.469 -17.308 23.983 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.171 -17.779 24.206 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.623 -16.161 24.705 1.00 0.00 H new ATOM 1287 N ASN A 80 17.822 -17.698 21.868 1.00 0.00 N ATOM 1288 CA ASN A 80 18.811 -18.736 22.118 1.00 0.00 C ATOM 1289 C ASN A 80 20.163 -18.107 22.445 1.00 0.00 C ATOM 1290 O ASN A 80 20.988 -18.730 23.111 1.00 0.00 O ATOM 1291 CB ASN A 80 18.911 -19.660 20.903 1.00 0.00 C ATOM 1292 CG ASN A 80 17.659 -20.509 20.709 1.00 0.00 C ATOM 1293 OD1 ASN A 80 16.734 -20.476 21.517 1.00 0.00 O ATOM 1294 ND2 ASN A 80 17.623 -21.285 19.630 1.00 0.00 N ATOM 0 H ASN A 80 17.591 -17.556 20.885 1.00 0.00 H new ATOM 0 HA ASN A 80 18.501 -19.331 22.977 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.082 -19.061 20.008 1.00 0.00 H new ATOM 0 HB3 ASN A 80 19.775 -20.314 21.018 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.811 -21.876 19.454 1.00 0.00 H new ATOM 0 HD22 ASN A 80 18.408 -21.289 18.978 1.00 0.00 H new ATOM 1301 N THR A 81 20.400 -16.872 21.987 1.00 0.00 N ATOM 1302 CA THR A 81 21.631 -16.162 22.302 1.00 0.00 C ATOM 1303 C THR A 81 21.575 -15.612 23.723 1.00 0.00 C ATOM 1304 O THR A 81 22.614 -15.481 24.368 1.00 0.00 O ATOM 1305 CB THR A 81 21.866 -15.047 21.280 1.00 0.00 C ATOM 1306 OG1 THR A 81 22.045 -15.624 20.008 1.00 0.00 O ATOM 1307 CG2 THR A 81 23.126 -14.250 21.606 1.00 0.00 C ATOM 0 H THR A 81 19.752 -16.350 21.398 1.00 0.00 H new ATOM 0 HA THR A 81 22.471 -16.855 22.247 1.00 0.00 H new ATOM 0 HB THR A 81 21.003 -14.382 21.304 1.00 0.00 H new ATOM 0 HG1 THR A 81 21.173 -15.741 19.576 1.00 0.00 H new ATOM 0 HG21 THR A 81 23.264 -13.466 20.861 1.00 0.00 H new ATOM 0 HG22 THR A 81 23.026 -13.799 22.593 1.00 0.00 H new ATOM 0 HG23 THR A 81 23.990 -14.915 21.597 1.00 0.00 H new ATOM 1315 N ALA A 82 20.377 -15.293 24.223 1.00 0.00 N ATOM 1316 CA ALA A 82 20.224 -14.765 25.569 1.00 0.00 C ATOM 1317 C ALA A 82 20.413 -15.863 26.611 1.00 0.00 C ATOM 1318 O ALA A 82 20.880 -15.590 27.714 1.00 0.00 O ATOM 1319 CB ALA A 82 18.839 -14.138 25.689 1.00 0.00 C ATOM 0 H ALA A 82 19.502 -15.394 23.709 1.00 0.00 H new ATOM 0 HA ALA A 82 20.988 -14.009 25.753 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.707 -13.736 26.694 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.740 -13.333 24.961 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.079 -14.896 25.498 1.00 0.00 H new ATOM 1325 N LYS A 83 20.052 -17.104 26.269 1.00 0.00 N ATOM 1326 CA LYS A 83 20.239 -18.233 27.171 1.00 0.00 C ATOM 1327 C LYS A 83 21.706 -18.658 27.191 1.00 0.00 C ATOM 1328 O LYS A 83 22.195 -19.161 28.200 1.00 0.00 O ATOM 1329 CB LYS A 83 19.334 -19.385 26.727 1.00 0.00 C ATOM 1330 CG LYS A 83 17.866 -18.999 26.896 1.00 0.00 C ATOM 1331 CD LYS A 83 16.965 -20.094 26.327 1.00 0.00 C ATOM 1332 CE LYS A 83 15.502 -19.684 26.484 1.00 0.00 C ATOM 1333 NZ LYS A 83 14.600 -20.715 25.936 1.00 0.00 N ATOM 0 H LYS A 83 19.629 -17.347 25.373 1.00 0.00 H new ATOM 0 HA LYS A 83 19.966 -17.943 28.186 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.534 -19.633 25.685 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.553 -20.276 27.315 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.642 -18.845 27.952 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.669 -18.055 26.388 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.196 -20.259 25.275 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.147 -21.035 26.845 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.277 -19.523 27.538 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.330 -18.737 25.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.613 -20.411 26.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.801 -20.850 24.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.750 -21.612 26.441 1.00 0.00 H new ATOM 1347 N ASN A 84 22.410 -18.450 26.073 1.00 0.00 N ATOM 1348 CA ASN A 84 23.831 -18.743 25.993 1.00 0.00 C ATOM 1349 C ASN A 84 24.654 -17.577 26.548 1.00 0.00 C ATOM 1350 O ASN A 84 25.835 -17.741 26.855 1.00 0.00 O ATOM 1351 CB ASN A 84 24.188 -19.069 24.543 1.00 0.00 C ATOM 1352 CG ASN A 84 25.663 -19.411 24.384 1.00 0.00 C ATOM 1353 OD1 ASN A 84 26.084 -20.528 24.675 1.00 0.00 O ATOM 1354 ND2 ASN A 84 26.460 -18.454 23.920 1.00 0.00 N ATOM 0 H ASN A 84 22.010 -18.078 25.212 1.00 0.00 H new ATOM 0 HA ASN A 84 24.070 -19.611 26.608 1.00 0.00 H new ATOM 0 HB2 ASN A 84 23.582 -19.907 24.200 1.00 0.00 H new ATOM 0 HB3 ASN A 84 23.942 -18.217 23.909 1.00 0.00 H new ATOM 0 HD21 ASN A 84 27.456 -18.636 23.795 1.00 0.00 H new ATOM 0 HD22 ASN A 84 26.076 -17.538 23.689 1.00 0.00 H new