USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1062 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 87 CYS SG : rot -138:sc= 0.0475 USER MOD Set 1.2: B 88 HIS : no HD1:sc= -2.47 K(o=-2.4,f=-3) USER MOD Set 2.1: B 39 MET CE :methyl -111:sc= -11.2! (180deg=-17.5!) USER MOD Set 2.2: B 59 MET CE :methyl -175:sc= -17.5! (180deg=-17.1!) USER MOD Set 3.1: A 87 CYS SG : rot -139:sc= 0.0484 USER MOD Set 3.2: A 88 HIS : no HD1:sc= -2.48 K(o=-2.4,f=-3) USER MOD Set 4.1: A 74 GLN :FLIP amide:sc= -1.1 F(o=-5.6!,f=-2.2) USER MOD Set 4.2: B 74 GLN :FLIP amide:sc= -1.08 F(o=-5.7!,f=-2.2) USER MOD Set 5.1: A 39 MET CE :methyl 137:sc= -9.96! (180deg=-17.8!) USER MOD Set 5.2: A 59 MET CE :methyl -134:sc= -18.2! (180deg=-17.1!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0647 USER MOD Single : A 9 CYS SG : rot -64:sc= -4.21! USER MOD Single : A 12 SER OG : rot 63:sc= 1.21 USER MOD Single : A 18 GLN :FLIP amide:sc= -2.52! C(o=-4.2!,f=-2.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -170:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.341 K(o=0.34,f=-0.43) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -48:sc= 0.63 USER MOD Single : A 60 MET CE :methyl 142:sc= -3.88 (180deg=-7.75!) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.94 F(o=-5.8!,f=-1.9) USER MOD Single : A 78 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.32) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 6 THR OG1 : rot 91:sc= 0.0436 USER MOD Single : B 9 CYS SG : rot -57:sc= -3.92 USER MOD Single : B 12 SER OG : rot 86:sc= 1.23 USER MOD Single : B 18 GLN :FLIP amide:sc= -2.49! C(o=-4.2!,f=-2.5!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 THR OG1 : rot -170:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 40 ASN : amide:sc= 0.319 K(o=0.32,f=-0.44) USER MOD Single : B 41 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 THR OG1 : rot -58:sc= 0.605 USER MOD Single : B 60 MET CE :methyl 138:sc= -3.88 (180deg=-7.59!) USER MOD Single : B 70 GLN :FLIP amide:sc= -1.99 F(o=-5.7!,f=-2) USER MOD Single : B 78 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.18) USER MOD Single : B 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N THR A 4 7.094 -3.484 15.600 1.00 0.00 N ATOM 52 CA THR A 4 7.467 -2.195 15.030 1.00 0.00 C ATOM 53 C THR A 4 6.285 -1.543 14.334 1.00 0.00 C ATOM 54 O THR A 4 5.442 -2.215 13.741 1.00 0.00 O ATOM 55 CB THR A 4 8.644 -2.350 14.056 1.00 0.00 C ATOM 56 OG1 THR A 4 8.682 -1.272 13.136 1.00 0.00 O ATOM 57 CG2 THR A 4 8.611 -3.633 13.251 1.00 0.00 C ATOM 0 HA THR A 4 7.779 -1.547 15.849 1.00 0.00 H new ATOM 0 HB THR A 4 9.530 -2.367 14.691 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.440 -1.389 12.526 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.475 -3.668 12.587 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.638 -4.488 13.927 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.697 -3.668 12.659 1.00 0.00 H new ATOM 65 N GLU A 5 6.235 -0.220 14.420 1.00 0.00 N ATOM 66 CA GLU A 5 5.167 0.558 13.811 1.00 0.00 C ATOM 67 C GLU A 5 4.879 0.077 12.392 1.00 0.00 C ATOM 68 O GLU A 5 3.723 -0.099 12.008 1.00 0.00 O ATOM 69 CB GLU A 5 5.565 2.029 13.807 1.00 0.00 C ATOM 70 CG GLU A 5 4.444 2.965 14.229 1.00 0.00 C ATOM 71 CD GLU A 5 4.807 4.426 14.050 1.00 0.00 C ATOM 72 OE1 GLU A 5 6.014 4.745 14.064 1.00 0.00 O ATOM 73 OE2 GLU A 5 3.882 5.252 13.896 1.00 0.00 O ATOM 0 H GLU A 5 6.931 0.341 14.912 1.00 0.00 H new ATOM 0 HA GLU A 5 4.254 0.428 14.393 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.414 2.169 14.476 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.899 2.304 12.806 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.551 2.742 13.646 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.196 2.781 15.274 1.00 0.00 H new ATOM 80 N THR A 6 5.940 -0.155 11.629 1.00 0.00 N ATOM 81 CA THR A 6 5.804 -0.640 10.264 1.00 0.00 C ATOM 82 C THR A 6 5.200 -2.038 10.268 1.00 0.00 C ATOM 83 O THR A 6 4.349 -2.364 9.448 1.00 0.00 O ATOM 84 CB THR A 6 7.169 -0.666 9.575 1.00 0.00 C ATOM 85 OG1 THR A 6 8.028 0.317 10.125 1.00 0.00 O ATOM 86 CG2 THR A 6 7.091 -0.423 8.084 1.00 0.00 C ATOM 0 H THR A 6 6.903 -0.015 11.933 1.00 0.00 H new ATOM 0 HA THR A 6 5.145 0.033 9.716 1.00 0.00 H new ATOM 0 HB THR A 6 7.558 -1.670 9.744 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.896 0.283 9.672 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.094 -0.455 7.657 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.475 -1.194 7.621 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.648 0.555 7.897 1.00 0.00 H new ATOM 94 N GLU A 7 5.636 -2.860 11.212 1.00 0.00 N ATOM 95 CA GLU A 7 5.134 -4.227 11.318 1.00 0.00 C ATOM 96 C GLU A 7 3.607 -4.239 11.324 1.00 0.00 C ATOM 97 O GLU A 7 2.982 -5.132 10.753 1.00 0.00 O ATOM 98 CB GLU A 7 5.669 -4.889 12.592 1.00 0.00 C ATOM 99 CG GLU A 7 6.590 -6.067 12.323 1.00 0.00 C ATOM 100 CD GLU A 7 5.883 -7.402 12.449 1.00 0.00 C ATOM 101 OE1 GLU A 7 4.635 -7.421 12.379 1.00 0.00 O ATOM 102 OE2 GLU A 7 6.575 -8.427 12.617 1.00 0.00 O ATOM 0 H GLU A 7 6.333 -2.608 11.913 1.00 0.00 H new ATOM 0 HA GLU A 7 5.482 -4.790 10.452 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.206 -4.145 13.180 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.828 -5.227 13.197 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.008 -5.975 11.321 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.426 -6.036 13.021 1.00 0.00 H new ATOM 109 N ARG A 8 3.016 -3.230 11.952 1.00 0.00 N ATOM 110 CA ARG A 8 1.568 -3.110 12.009 1.00 0.00 C ATOM 111 C ARG A 8 1.025 -2.530 10.703 1.00 0.00 C ATOM 112 O ARG A 8 -0.124 -2.775 10.335 1.00 0.00 O ATOM 113 CB ARG A 8 1.158 -2.228 13.190 1.00 0.00 C ATOM 114 CG ARG A 8 -0.336 -1.957 13.258 1.00 0.00 C ATOM 115 CD ARG A 8 -0.863 -2.075 14.679 1.00 0.00 C ATOM 116 NE ARG A 8 -1.210 -3.452 15.023 1.00 0.00 N ATOM 117 CZ ARG A 8 -2.226 -4.119 14.480 1.00 0.00 C ATOM 118 NH1 ARG A 8 -2.997 -3.539 13.569 1.00 0.00 N ATOM 119 NH2 ARG A 8 -2.472 -5.368 14.849 1.00 0.00 N ATOM 0 H ARG A 8 3.520 -2.483 12.429 1.00 0.00 H new ATOM 0 HA ARG A 8 1.144 -4.104 12.147 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.474 -2.706 14.117 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.688 -1.278 13.124 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.543 -0.958 12.875 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.864 -2.661 12.614 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.111 -1.706 15.376 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.742 -1.441 14.793 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.640 -3.931 15.721 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.812 -2.578 13.282 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.774 -4.054 13.156 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.883 -5.818 15.549 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.251 -5.879 14.433 1.00 0.00 H new ATOM 132 N CYS A 9 1.857 -1.749 10.014 1.00 0.00 N ATOM 133 CA CYS A 9 1.459 -1.120 8.757 1.00 0.00 C ATOM 134 C CYS A 9 1.263 -2.152 7.648 1.00 0.00 C ATOM 135 O CYS A 9 0.314 -2.061 6.869 1.00 0.00 O ATOM 136 CB CYS A 9 2.495 -0.062 8.337 1.00 0.00 C ATOM 137 SG CYS A 9 3.905 -0.687 7.384 1.00 0.00 S ATOM 0 H CYS A 9 2.811 -1.537 10.306 1.00 0.00 H new ATOM 0 HA CYS A 9 0.500 -0.628 8.919 1.00 0.00 H new ATOM 0 HB2 CYS A 9 1.990 0.702 7.746 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.873 0.427 9.234 1.00 0.00 H new ATOM 0 HG CYS A 9 4.601 -1.500 8.122 1.00 0.00 H new ATOM 143 N ILE A 10 2.163 -3.124 7.575 1.00 0.00 N ATOM 144 CA ILE A 10 2.084 -4.154 6.554 1.00 0.00 C ATOM 145 C ILE A 10 0.941 -5.123 6.825 1.00 0.00 C ATOM 146 O ILE A 10 0.098 -5.355 5.963 1.00 0.00 O ATOM 147 CB ILE A 10 3.395 -4.958 6.461 1.00 0.00 C ATOM 148 CG1 ILE A 10 4.589 -4.021 6.302 1.00 0.00 C ATOM 149 CG2 ILE A 10 3.336 -5.932 5.297 1.00 0.00 C ATOM 150 CD1 ILE A 10 5.384 -3.821 7.566 1.00 0.00 C ATOM 0 H ILE A 10 2.955 -3.219 8.211 1.00 0.00 H new ATOM 0 HA ILE A 10 1.906 -3.638 5.611 1.00 0.00 H new ATOM 0 HB ILE A 10 3.517 -5.522 7.385 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.248 -4.417 5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.233 -3.052 5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.269 -6.493 5.244 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.505 -6.623 5.442 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.191 -5.380 4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.215 -3.143 7.370 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.741 -3.395 8.336 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.772 -4.781 7.907 1.00 0.00 H new ATOM 162 N GLU A 11 0.930 -5.705 8.017 1.00 0.00 N ATOM 163 CA GLU A 11 -0.093 -6.677 8.386 1.00 0.00 C ATOM 164 C GLU A 11 -1.500 -6.150 8.136 1.00 0.00 C ATOM 165 O GLU A 11 -2.427 -6.927 7.911 1.00 0.00 O ATOM 166 CB GLU A 11 0.062 -7.085 9.851 1.00 0.00 C ATOM 167 CG GLU A 11 0.182 -8.588 10.042 1.00 0.00 C ATOM 168 CD GLU A 11 -0.749 -9.117 11.115 1.00 0.00 C ATOM 169 OE1 GLU A 11 -1.183 -8.318 11.971 1.00 0.00 O ATOM 170 OE2 GLU A 11 -1.045 -10.330 11.098 1.00 0.00 O ATOM 0 H GLU A 11 1.619 -5.521 8.747 1.00 0.00 H new ATOM 0 HA GLU A 11 0.049 -7.552 7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.946 -6.600 10.265 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.796 -6.720 10.416 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.036 -9.089 9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.210 -8.836 10.304 1.00 0.00 H new ATOM 177 N SER A 12 -1.665 -4.836 8.184 1.00 0.00 N ATOM 178 CA SER A 12 -2.975 -4.240 7.968 1.00 0.00 C ATOM 179 C SER A 12 -3.344 -4.203 6.483 1.00 0.00 C ATOM 180 O SER A 12 -4.384 -4.725 6.089 1.00 0.00 O ATOM 181 CB SER A 12 -3.015 -2.831 8.554 1.00 0.00 C ATOM 182 OG SER A 12 -2.758 -2.851 9.947 1.00 0.00 O ATOM 0 H SER A 12 -0.916 -4.168 8.369 1.00 0.00 H new ATOM 0 HA SER A 12 -3.710 -4.864 8.476 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.277 -2.205 8.054 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.991 -2.384 8.367 1.00 0.00 H new ATOM 0 HG SER A 12 -1.852 -3.188 10.108 1.00 0.00 H new ATOM 188 N LEU A 13 -2.495 -3.587 5.660 1.00 0.00 N ATOM 189 CA LEU A 13 -2.761 -3.487 4.228 1.00 0.00 C ATOM 190 C LEU A 13 -2.931 -4.864 3.585 1.00 0.00 C ATOM 191 O LEU A 13 -3.643 -5.016 2.590 1.00 0.00 O ATOM 192 CB LEU A 13 -1.646 -2.704 3.547 1.00 0.00 C ATOM 193 CG LEU A 13 -1.869 -1.192 3.507 1.00 0.00 C ATOM 194 CD1 LEU A 13 -3.209 -0.864 2.872 1.00 0.00 C ATOM 195 CD2 LEU A 13 -1.800 -0.589 4.898 1.00 0.00 C ATOM 0 H LEU A 13 -1.622 -3.152 5.960 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.702 -2.954 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.708 -2.907 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.533 -3.069 2.526 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.072 -0.759 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.348 0.217 2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.233 -1.251 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.009 -1.323 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.962 0.487 4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.569 -1.037 5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.819 -0.784 5.331 1.00 0.00 H new ATOM 207 N ILE A 14 -2.297 -5.869 4.161 1.00 0.00 N ATOM 208 CA ILE A 14 -2.409 -7.218 3.657 1.00 0.00 C ATOM 209 C ILE A 14 -3.772 -7.778 3.950 1.00 0.00 C ATOM 210 O ILE A 14 -4.347 -8.517 3.157 1.00 0.00 O ATOM 211 CB ILE A 14 -1.431 -8.147 4.362 1.00 0.00 C ATOM 212 CG1 ILE A 14 -0.032 -7.579 4.354 1.00 0.00 C ATOM 213 CG2 ILE A 14 -1.471 -9.516 3.738 1.00 0.00 C ATOM 214 CD1 ILE A 14 0.784 -8.087 5.509 1.00 0.00 C ATOM 0 H ILE A 14 -1.698 -5.772 4.981 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.210 -7.166 2.587 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.735 -8.238 5.405 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.461 -7.841 3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.081 -6.491 4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.767 -10.171 4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.477 -9.926 3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.198 -9.444 2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.784 -7.654 5.466 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.305 -7.802 6.446 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.856 -9.173 5.454 1.00 0.00 H new ATOM 226 N ALA A 15 -4.239 -7.453 5.137 1.00 0.00 N ATOM 227 CA ALA A 15 -5.492 -7.951 5.631 1.00 0.00 C ATOM 228 C ALA A 15 -6.673 -7.227 5.020 1.00 0.00 C ATOM 229 O ALA A 15 -7.680 -7.849 4.684 1.00 0.00 O ATOM 230 CB ALA A 15 -5.471 -7.866 7.135 1.00 0.00 C ATOM 0 H ALA A 15 -3.753 -6.833 5.785 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.618 -8.992 5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.414 -8.239 7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.649 -8.469 7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.334 -6.828 7.439 1.00 0.00 H new ATOM 236 N VAL A 16 -6.538 -5.923 4.826 1.00 0.00 N ATOM 237 CA VAL A 16 -7.592 -5.158 4.197 1.00 0.00 C ATOM 238 C VAL A 16 -7.959 -5.829 2.886 1.00 0.00 C ATOM 239 O VAL A 16 -9.110 -5.809 2.449 1.00 0.00 O ATOM 240 CB VAL A 16 -7.128 -3.719 3.914 1.00 0.00 C ATOM 241 CG1 VAL A 16 -6.696 -3.042 5.190 1.00 0.00 C ATOM 242 CG2 VAL A 16 -5.977 -3.704 2.928 1.00 0.00 C ATOM 0 H VAL A 16 -5.716 -5.382 5.094 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.452 -5.119 4.865 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.971 -3.179 3.484 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.371 -2.025 4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.533 -3.013 5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.871 -3.598 5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.668 -2.675 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.139 -4.267 3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.295 -4.159 1.990 1.00 0.00 H new ATOM 252 N PHE A 17 -6.940 -6.414 2.264 1.00 0.00 N ATOM 253 CA PHE A 17 -7.102 -7.094 0.987 1.00 0.00 C ATOM 254 C PHE A 17 -7.670 -8.510 1.132 1.00 0.00 C ATOM 255 O PHE A 17 -8.704 -8.818 0.542 1.00 0.00 O ATOM 256 CB PHE A 17 -5.756 -7.144 0.248 1.00 0.00 C ATOM 257 CG PHE A 17 -5.664 -8.234 -0.787 1.00 0.00 C ATOM 258 CD1 PHE A 17 -6.703 -8.455 -1.676 1.00 0.00 C ATOM 259 CD2 PHE A 17 -4.539 -9.041 -0.863 1.00 0.00 C ATOM 260 CE1 PHE A 17 -6.622 -9.459 -2.623 1.00 0.00 C ATOM 261 CE2 PHE A 17 -4.453 -10.047 -1.806 1.00 0.00 C ATOM 262 CZ PHE A 17 -5.497 -10.256 -2.688 1.00 0.00 C ATOM 0 H PHE A 17 -5.987 -6.429 2.628 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.827 -6.519 0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.583 -6.183 -0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.958 -7.282 0.977 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.587 -7.836 -1.629 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.720 -8.881 -0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.438 -9.620 -3.311 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.572 -10.669 -1.854 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.432 -11.041 -3.426 1.00 0.00 H new ATOM 272 N GLN A 18 -6.982 -9.375 1.883 1.00 0.00 N ATOM 273 CA GLN A 18 -7.420 -10.765 2.045 1.00 0.00 C ATOM 274 C GLN A 18 -8.679 -10.885 2.889 1.00 0.00 C ATOM 275 O GLN A 18 -9.454 -11.827 2.720 1.00 0.00 O ATOM 276 CB GLN A 18 -6.302 -11.629 2.633 1.00 0.00 C ATOM 277 CG GLN A 18 -5.450 -10.912 3.658 1.00 0.00 C ATOM 278 CD GLN A 18 -5.705 -11.398 5.055 1.00 0.00 C ATOM 279 OE1 GLN A 18 -6.673 -10.775 5.699 1.00 0.00 O flip ATOM 280 NE2 GLN A 18 -5.048 -12.316 5.548 1.00 0.00 N flip ATOM 0 H GLN A 18 -6.126 -9.140 2.385 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.662 -11.131 1.047 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.743 -12.512 3.095 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.662 -11.979 1.823 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.397 -11.053 3.414 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.649 -9.841 3.607 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.310 -12.764 5.005 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.242 -12.629 6.499 1.00 0.00 H new ATOM 289 N LYS A 19 -8.898 -9.937 3.792 1.00 0.00 N ATOM 290 CA LYS A 19 -10.087 -9.972 4.634 1.00 0.00 C ATOM 291 C LYS A 19 -11.332 -10.016 3.761 1.00 0.00 C ATOM 292 O LYS A 19 -12.196 -10.876 3.926 1.00 0.00 O ATOM 293 CB LYS A 19 -10.133 -8.753 5.556 1.00 0.00 C ATOM 294 CG LYS A 19 -11.265 -8.802 6.569 1.00 0.00 C ATOM 295 CD LYS A 19 -11.076 -9.938 7.563 1.00 0.00 C ATOM 296 CE LYS A 19 -12.362 -10.724 7.771 1.00 0.00 C ATOM 297 NZ LYS A 19 -12.972 -10.448 9.101 1.00 0.00 N ATOM 0 H LYS A 19 -8.277 -9.145 3.959 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.050 -10.868 5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.184 -8.673 6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.237 -7.853 4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.317 -7.854 7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.215 -8.927 6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.294 -10.608 7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.738 -9.534 8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.074 -10.470 6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.154 -11.790 7.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.846 -11.002 9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.303 -10.714 9.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.194 -9.435 9.178 1.00 0.00 H new ATOM 311 N TYR A 20 -11.388 -9.099 2.803 1.00 0.00 N ATOM 312 CA TYR A 20 -12.493 -9.036 1.861 1.00 0.00 C ATOM 313 C TYR A 20 -12.298 -10.088 0.779 1.00 0.00 C ATOM 314 O TYR A 20 -13.255 -10.590 0.188 1.00 0.00 O ATOM 315 CB TYR A 20 -12.580 -7.636 1.249 1.00 0.00 C ATOM 316 CG TYR A 20 -12.417 -6.524 2.268 1.00 0.00 C ATOM 317 CD1 TYR A 20 -12.823 -6.699 3.587 1.00 0.00 C ATOM 318 CD2 TYR A 20 -11.858 -5.303 1.913 1.00 0.00 C ATOM 319 CE1 TYR A 20 -12.676 -5.691 4.520 1.00 0.00 C ATOM 320 CE2 TYR A 20 -11.707 -4.289 2.843 1.00 0.00 C ATOM 321 CZ TYR A 20 -12.119 -4.489 4.144 1.00 0.00 C ATOM 322 OH TYR A 20 -11.972 -3.483 5.071 1.00 0.00 O ATOM 0 H TYR A 20 -10.674 -8.385 2.660 1.00 0.00 H new ATOM 0 HA TYR A 20 -13.429 -9.239 2.382 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.811 -7.533 0.483 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -13.543 -7.524 0.751 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.261 -7.640 3.887 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.536 -5.142 0.895 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -12.996 -5.845 5.540 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -11.269 -3.346 2.551 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.562 -2.702 4.644 1.00 0.00 H new ATOM 332 N ALA A 21 -11.031 -10.399 0.530 1.00 0.00 N ATOM 333 CA ALA A 21 -10.639 -11.372 -0.474 1.00 0.00 C ATOM 334 C ALA A 21 -10.773 -12.808 0.036 1.00 0.00 C ATOM 335 O ALA A 21 -10.447 -13.757 -0.677 1.00 0.00 O ATOM 336 CB ALA A 21 -9.210 -11.082 -0.897 1.00 0.00 C ATOM 0 H ALA A 21 -10.244 -9.978 1.024 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.308 -11.283 -1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.900 -11.805 -1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.151 -10.076 -1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.552 -11.157 -0.031 1.00 0.00 H new ATOM 342 N GLY A 22 -11.256 -12.965 1.266 1.00 0.00 N ATOM 343 CA GLY A 22 -11.423 -14.292 1.830 1.00 0.00 C ATOM 344 C GLY A 22 -10.219 -14.739 2.637 1.00 0.00 C ATOM 345 O GLY A 22 -9.078 -14.464 2.267 1.00 0.00 O ATOM 0 H GLY A 22 -11.534 -12.199 1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.307 -14.303 2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.601 -15.005 1.025 1.00 0.00 H new ATOM 419 N VAL A 28 -6.396 -15.577 -3.434 1.00 0.00 N ATOM 420 CA VAL A 28 -5.301 -14.790 -4.007 1.00 0.00 C ATOM 421 C VAL A 28 -5.802 -13.483 -4.623 1.00 0.00 C ATOM 422 O VAL A 28 -5.006 -12.639 -5.033 1.00 0.00 O ATOM 423 CB VAL A 28 -4.518 -15.579 -5.077 1.00 0.00 C ATOM 424 CG1 VAL A 28 -3.196 -14.896 -5.381 1.00 0.00 C ATOM 425 CG2 VAL A 28 -4.294 -17.016 -4.628 1.00 0.00 C ATOM 0 HA VAL A 28 -4.633 -14.562 -3.177 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.110 -15.599 -5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.657 -15.466 -6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.384 -13.888 -5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.597 -14.842 -4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.740 -17.555 -5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.724 -17.022 -3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.257 -17.501 -4.467 1.00 0.00 H new ATOM 435 N THR A 29 -7.121 -13.317 -4.684 1.00 0.00 N ATOM 436 CA THR A 29 -7.713 -12.110 -5.244 1.00 0.00 C ATOM 437 C THR A 29 -8.909 -11.658 -4.414 1.00 0.00 C ATOM 438 O THR A 29 -9.254 -12.282 -3.412 1.00 0.00 O ATOM 439 CB THR A 29 -8.136 -12.343 -6.694 1.00 0.00 C ATOM 440 OG1 THR A 29 -8.705 -13.630 -6.852 1.00 0.00 O ATOM 441 CG2 THR A 29 -6.990 -12.220 -7.676 1.00 0.00 C ATOM 0 H THR A 29 -7.798 -14.004 -4.352 1.00 0.00 H new ATOM 0 HA THR A 29 -6.960 -11.322 -5.221 1.00 0.00 H new ATOM 0 HB THR A 29 -8.866 -11.563 -6.912 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.823 -13.821 -7.806 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.357 -12.397 -8.687 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.564 -11.219 -7.614 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.223 -12.956 -7.434 1.00 0.00 H new ATOM 449 N LEU A 30 -9.530 -10.566 -4.837 1.00 0.00 N ATOM 450 CA LEU A 30 -10.684 -10.019 -4.135 1.00 0.00 C ATOM 451 C LEU A 30 -11.817 -9.710 -5.125 1.00 0.00 C ATOM 452 O LEU A 30 -12.245 -10.589 -5.870 1.00 0.00 O ATOM 453 CB LEU A 30 -10.264 -8.763 -3.353 1.00 0.00 C ATOM 454 CG LEU A 30 -11.179 -8.346 -2.186 1.00 0.00 C ATOM 455 CD1 LEU A 30 -11.468 -6.854 -2.242 1.00 0.00 C ATOM 456 CD2 LEU A 30 -12.484 -9.132 -2.182 1.00 0.00 C ATOM 0 H LEU A 30 -9.253 -10.039 -5.666 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.060 -10.757 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.261 -8.925 -2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.201 -7.930 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.650 -8.573 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.116 -6.577 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.532 -6.299 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.964 -6.614 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.101 -8.808 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.018 -8.955 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.268 -10.196 -2.084 1.00 0.00 H new ATOM 468 N SER A 31 -12.295 -8.464 -5.138 1.00 0.00 N ATOM 469 CA SER A 31 -13.361 -8.058 -6.044 1.00 0.00 C ATOM 470 C SER A 31 -13.589 -6.553 -5.945 1.00 0.00 C ATOM 471 O SER A 31 -13.781 -6.015 -4.855 1.00 0.00 O ATOM 472 CB SER A 31 -14.651 -8.816 -5.727 1.00 0.00 C ATOM 473 OG SER A 31 -15.730 -8.343 -6.516 1.00 0.00 O ATOM 0 H SER A 31 -11.957 -7.720 -4.528 1.00 0.00 H new ATOM 0 HA SER A 31 -13.063 -8.300 -7.064 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.504 -9.881 -5.908 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.892 -8.702 -4.670 1.00 0.00 H new ATOM 0 HG SER A 31 -16.542 -8.845 -6.295 1.00 0.00 H new ATOM 479 N LYS A 32 -13.550 -5.877 -7.089 1.00 0.00 N ATOM 480 CA LYS A 32 -13.734 -4.428 -7.130 1.00 0.00 C ATOM 481 C LYS A 32 -14.976 -4.002 -6.354 1.00 0.00 C ATOM 482 O LYS A 32 -14.986 -2.952 -5.709 1.00 0.00 O ATOM 483 CB LYS A 32 -13.836 -3.950 -8.580 1.00 0.00 C ATOM 484 CG LYS A 32 -14.961 -4.610 -9.361 1.00 0.00 C ATOM 485 CD LYS A 32 -15.051 -4.066 -10.778 1.00 0.00 C ATOM 486 CE LYS A 32 -15.520 -2.619 -10.793 1.00 0.00 C ATOM 487 NZ LYS A 32 -14.680 -1.772 -11.684 1.00 0.00 N ATOM 0 H LYS A 32 -13.393 -6.308 -8.000 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.866 -3.968 -6.658 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -13.984 -2.870 -8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.890 -4.146 -9.086 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -14.799 -5.687 -9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -15.908 -4.445 -8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.075 -4.138 -11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -15.739 -4.678 -11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -16.557 -2.577 -11.125 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.493 -2.218 -9.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.032 -0.794 -11.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.694 -1.791 -11.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.726 -2.139 -12.656 1.00 0.00 H new ATOM 501 N THR A 33 -16.020 -4.819 -6.419 1.00 0.00 N ATOM 502 CA THR A 33 -17.261 -4.527 -5.726 1.00 0.00 C ATOM 503 C THR A 33 -17.118 -4.758 -4.222 1.00 0.00 C ATOM 504 O THR A 33 -17.585 -3.955 -3.418 1.00 0.00 O ATOM 505 CB THR A 33 -18.391 -5.384 -6.300 1.00 0.00 C ATOM 506 OG1 THR A 33 -18.993 -4.741 -7.409 1.00 0.00 O ATOM 507 CG2 THR A 33 -19.480 -5.689 -5.301 1.00 0.00 C ATOM 0 H THR A 33 -16.028 -5.691 -6.948 1.00 0.00 H new ATOM 0 HA THR A 33 -17.503 -3.475 -5.877 1.00 0.00 H new ATOM 0 HB THR A 33 -17.920 -6.322 -6.594 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.712 -5.305 -7.763 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.248 -6.300 -5.775 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.057 -6.231 -4.455 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.923 -4.757 -4.950 1.00 0.00 H new ATOM 515 N GLU A 34 -16.472 -5.854 -3.835 1.00 0.00 N ATOM 516 CA GLU A 34 -16.288 -6.148 -2.418 1.00 0.00 C ATOM 517 C GLU A 34 -15.593 -4.984 -1.727 1.00 0.00 C ATOM 518 O GLU A 34 -15.805 -4.731 -0.542 1.00 0.00 O ATOM 519 CB GLU A 34 -15.481 -7.432 -2.229 1.00 0.00 C ATOM 520 CG GLU A 34 -16.322 -8.601 -1.747 1.00 0.00 C ATOM 521 CD GLU A 34 -16.186 -9.825 -2.631 1.00 0.00 C ATOM 522 OE1 GLU A 34 -15.231 -10.604 -2.423 1.00 0.00 O ATOM 523 OE2 GLU A 34 -17.034 -10.006 -3.531 1.00 0.00 O ATOM 0 H GLU A 34 -16.073 -6.544 -4.472 1.00 0.00 H new ATOM 0 HA GLU A 34 -17.270 -6.292 -1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.008 -7.698 -3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.681 -7.248 -1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.029 -8.859 -0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -17.369 -8.299 -1.710 1.00 0.00 H new ATOM 530 N PHE A 35 -14.776 -4.267 -2.489 1.00 0.00 N ATOM 531 CA PHE A 35 -14.059 -3.113 -1.966 1.00 0.00 C ATOM 532 C PHE A 35 -15.027 -1.949 -1.759 1.00 0.00 C ATOM 533 O PHE A 35 -14.832 -1.110 -0.881 1.00 0.00 O ATOM 534 CB PHE A 35 -12.935 -2.708 -2.927 1.00 0.00 C ATOM 535 CG PHE A 35 -11.684 -2.238 -2.239 1.00 0.00 C ATOM 536 CD1 PHE A 35 -11.750 -1.425 -1.118 1.00 0.00 C ATOM 537 CD2 PHE A 35 -10.439 -2.604 -2.721 1.00 0.00 C ATOM 538 CE1 PHE A 35 -10.597 -0.989 -0.492 1.00 0.00 C ATOM 539 CE2 PHE A 35 -9.284 -2.170 -2.101 1.00 0.00 C ATOM 540 CZ PHE A 35 -9.363 -1.361 -0.985 1.00 0.00 C ATOM 0 H PHE A 35 -14.594 -4.466 -3.473 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.615 -3.376 -1.006 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.690 -3.559 -3.563 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -13.298 -1.915 -3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.713 -1.129 -0.729 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.370 -3.237 -3.593 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -10.662 -0.358 0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.320 -2.463 -2.489 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.461 -1.020 -0.499 1.00 0.00 H new ATOM 550 N LEU A 36 -16.078 -1.911 -2.576 1.00 0.00 N ATOM 551 CA LEU A 36 -17.082 -0.859 -2.488 1.00 0.00 C ATOM 552 C LEU A 36 -17.733 -0.828 -1.127 1.00 0.00 C ATOM 553 O LEU A 36 -17.717 0.186 -0.428 1.00 0.00 O ATOM 554 CB LEU A 36 -18.178 -1.107 -3.517 1.00 0.00 C ATOM 555 CG LEU A 36 -18.012 -0.349 -4.807 1.00 0.00 C ATOM 556 CD1 LEU A 36 -17.978 1.141 -4.524 1.00 0.00 C ATOM 557 CD2 LEU A 36 -16.752 -0.814 -5.514 1.00 0.00 C ATOM 0 H LEU A 36 -16.254 -2.600 -3.307 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.576 0.089 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.214 -2.173 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.139 -0.841 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 36 -18.858 -0.545 -5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.858 1.686 -5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -18.910 1.442 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -17.142 1.367 -3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -16.634 -0.264 -6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.888 -0.633 -4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -16.827 -1.880 -5.728 1.00 0.00 H new ATOM 569 N SER A 37 -18.340 -1.944 -0.780 1.00 0.00 N ATOM 570 CA SER A 37 -19.046 -2.058 0.478 1.00 0.00 C ATOM 571 C SER A 37 -18.086 -2.020 1.662 1.00 0.00 C ATOM 572 O SER A 37 -18.285 -1.259 2.610 1.00 0.00 O ATOM 573 CB SER A 37 -19.872 -3.346 0.514 1.00 0.00 C ATOM 574 OG SER A 37 -20.630 -3.432 1.708 1.00 0.00 O ATOM 0 H SER A 37 -18.358 -2.787 -1.354 1.00 0.00 H new ATOM 0 HA SER A 37 -19.716 -1.202 0.558 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.539 -3.378 -0.347 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.210 -4.209 0.437 1.00 0.00 H new ATOM 0 HG SER A 37 -21.150 -4.263 1.706 1.00 0.00 H new ATOM 580 N PHE A 38 -17.047 -2.847 1.606 1.00 0.00 N ATOM 581 CA PHE A 38 -16.063 -2.908 2.680 1.00 0.00 C ATOM 582 C PHE A 38 -15.419 -1.544 2.918 1.00 0.00 C ATOM 583 O PHE A 38 -14.957 -1.252 4.020 1.00 0.00 O ATOM 584 CB PHE A 38 -14.993 -3.953 2.363 1.00 0.00 C ATOM 585 CG PHE A 38 -15.347 -5.328 2.852 1.00 0.00 C ATOM 586 CD1 PHE A 38 -15.638 -5.548 4.188 1.00 0.00 C ATOM 587 CD2 PHE A 38 -15.393 -6.401 1.975 1.00 0.00 C ATOM 588 CE1 PHE A 38 -15.965 -6.811 4.643 1.00 0.00 C ATOM 589 CE2 PHE A 38 -15.719 -7.667 2.424 1.00 0.00 C ATOM 590 CZ PHE A 38 -16.006 -7.872 3.759 1.00 0.00 C ATOM 0 H PHE A 38 -16.865 -3.483 0.830 1.00 0.00 H new ATOM 0 HA PHE A 38 -16.581 -3.200 3.594 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.835 -3.987 1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.049 -3.646 2.814 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -15.609 -4.722 4.883 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -15.172 -6.246 0.929 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -16.188 -6.969 5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -15.749 -8.495 1.731 1.00 0.00 H new ATOM 0 HZ PHE A 38 -16.262 -8.860 4.112 1.00 0.00 H new ATOM 600 N MET A 39 -15.398 -0.710 1.885 1.00 0.00 N ATOM 601 CA MET A 39 -14.822 0.623 1.994 1.00 0.00 C ATOM 602 C MET A 39 -15.792 1.570 2.700 1.00 0.00 C ATOM 603 O MET A 39 -15.440 2.224 3.677 1.00 0.00 O ATOM 604 CB MET A 39 -14.476 1.167 0.605 1.00 0.00 C ATOM 605 CG MET A 39 -14.101 2.643 0.597 1.00 0.00 C ATOM 606 SD MET A 39 -12.659 2.996 -0.427 1.00 0.00 S ATOM 607 CE MET A 39 -11.431 1.955 0.356 1.00 0.00 C ATOM 0 H MET A 39 -15.773 -0.934 0.963 1.00 0.00 H new ATOM 0 HA MET A 39 -13.908 0.555 2.585 1.00 0.00 H new ATOM 0 HB2 MET A 39 -13.647 0.589 0.195 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.329 1.015 -0.057 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.948 3.226 0.236 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.903 2.968 1.618 1.00 0.00 H new ATOM 0 HE1 MET A 39 -10.842 1.449 -0.409 1.00 0.00 H new ATOM 0 HE2 MET A 39 -10.774 2.568 0.973 1.00 0.00 H new ATOM 0 HE3 MET A 39 -11.928 1.213 0.981 1.00 0.00 H new ATOM 617 N ASN A 40 -17.011 1.637 2.185 1.00 0.00 N ATOM 618 CA ASN A 40 -18.042 2.506 2.743 1.00 0.00 C ATOM 619 C ASN A 40 -18.319 2.198 4.217 1.00 0.00 C ATOM 620 O ASN A 40 -18.888 3.025 4.929 1.00 0.00 O ATOM 621 CB ASN A 40 -19.333 2.370 1.932 1.00 0.00 C ATOM 622 CG ASN A 40 -19.256 3.086 0.598 1.00 0.00 C ATOM 623 OD1 ASN A 40 -19.256 4.315 0.539 1.00 0.00 O ATOM 624 ND2 ASN A 40 -19.190 2.318 -0.487 1.00 0.00 N ATOM 0 H ASN A 40 -17.314 1.096 1.375 1.00 0.00 H new ATOM 0 HA ASN A 40 -17.674 3.530 2.685 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -19.543 1.314 1.763 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.166 2.772 2.509 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.137 2.745 -1.412 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -19.193 1.302 -0.394 1.00 0.00 H new ATOM 631 N THR A 41 -17.940 1.005 4.668 1.00 0.00 N ATOM 632 CA THR A 41 -18.181 0.605 6.053 1.00 0.00 C ATOM 633 C THR A 41 -16.969 0.828 6.948 1.00 0.00 C ATOM 634 O THR A 41 -17.111 1.043 8.151 1.00 0.00 O ATOM 635 CB THR A 41 -18.570 -0.872 6.119 1.00 0.00 C ATOM 636 OG1 THR A 41 -18.810 -1.271 7.456 1.00 0.00 O ATOM 637 CG2 THR A 41 -17.518 -1.795 5.549 1.00 0.00 C ATOM 0 H THR A 41 -17.468 0.302 4.100 1.00 0.00 H new ATOM 0 HA THR A 41 -18.994 1.233 6.418 1.00 0.00 H new ATOM 0 HB THR A 41 -19.472 -0.957 5.514 1.00 0.00 H new ATOM 0 HG1 THR A 41 -19.059 -2.219 7.475 1.00 0.00 H new ATOM 0 HG21 THR A 41 -17.859 -2.827 5.628 1.00 0.00 H new ATOM 0 HG22 THR A 41 -17.347 -1.548 4.501 1.00 0.00 H new ATOM 0 HG23 THR A 41 -16.589 -1.676 6.106 1.00 0.00 H new ATOM 645 N GLU A 42 -15.776 0.731 6.376 1.00 0.00 N ATOM 646 CA GLU A 42 -14.557 0.876 7.163 1.00 0.00 C ATOM 647 C GLU A 42 -13.624 1.941 6.590 1.00 0.00 C ATOM 648 O GLU A 42 -13.051 2.737 7.335 1.00 0.00 O ATOM 649 CB GLU A 42 -13.840 -0.474 7.244 1.00 0.00 C ATOM 650 CG GLU A 42 -14.783 -1.676 7.187 1.00 0.00 C ATOM 651 CD GLU A 42 -14.575 -2.635 8.344 1.00 0.00 C ATOM 652 OE1 GLU A 42 -14.738 -2.207 9.506 1.00 0.00 O ATOM 653 OE2 GLU A 42 -14.250 -3.813 8.087 1.00 0.00 O ATOM 0 H GLU A 42 -15.626 0.555 5.383 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.839 1.206 8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.125 -0.545 6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.268 -0.516 8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.815 -1.324 7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.632 -2.208 6.247 1.00 0.00 H new ATOM 660 N LEU A 43 -13.478 1.960 5.272 1.00 0.00 N ATOM 661 CA LEU A 43 -12.619 2.936 4.614 1.00 0.00 C ATOM 662 C LEU A 43 -13.459 4.050 4.009 1.00 0.00 C ATOM 663 O LEU A 43 -13.141 4.587 2.947 1.00 0.00 O ATOM 664 CB LEU A 43 -11.772 2.260 3.534 1.00 0.00 C ATOM 665 CG LEU A 43 -10.355 1.887 3.968 1.00 0.00 C ATOM 666 CD1 LEU A 43 -9.611 1.206 2.832 1.00 0.00 C ATOM 667 CD2 LEU A 43 -9.604 3.124 4.441 1.00 0.00 C ATOM 0 H LEU A 43 -13.943 1.311 4.637 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.949 3.368 5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.285 1.357 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.709 2.925 2.673 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.419 1.185 4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.604 0.948 3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.142 0.299 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.553 1.882 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.596 2.843 4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.548 3.848 3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.130 3.568 5.287 1.00 0.00 H new ATOM 679 N ALA A 44 -14.541 4.382 4.699 1.00 0.00 N ATOM 680 CA ALA A 44 -15.451 5.422 4.250 1.00 0.00 C ATOM 681 C ALA A 44 -14.921 6.803 4.614 1.00 0.00 C ATOM 682 O ALA A 44 -15.192 7.784 3.924 1.00 0.00 O ATOM 683 CB ALA A 44 -16.826 5.193 4.852 1.00 0.00 C ATOM 0 H ALA A 44 -14.810 3.941 5.579 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.530 5.376 3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.506 5.975 4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.204 4.221 4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.756 5.219 5.939 1.00 0.00 H new ATOM 689 N ALA A 45 -14.155 6.869 5.699 1.00 0.00 N ATOM 690 CA ALA A 45 -13.576 8.128 6.150 1.00 0.00 C ATOM 691 C ALA A 45 -12.797 8.802 5.023 1.00 0.00 C ATOM 692 O ALA A 45 -12.636 10.022 5.009 1.00 0.00 O ATOM 693 CB ALA A 45 -12.676 7.891 7.353 1.00 0.00 C ATOM 0 H ALA A 45 -13.921 6.065 6.281 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.387 8.794 6.445 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.249 8.839 7.681 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.260 7.456 8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.873 7.208 7.077 1.00 0.00 H new ATOM 699 N PHE A 46 -12.321 7.995 4.078 1.00 0.00 N ATOM 700 CA PHE A 46 -11.563 8.506 2.944 1.00 0.00 C ATOM 701 C PHE A 46 -12.429 8.565 1.685 1.00 0.00 C ATOM 702 O PHE A 46 -11.912 8.666 0.573 1.00 0.00 O ATOM 703 CB PHE A 46 -10.339 7.624 2.688 1.00 0.00 C ATOM 704 CG PHE A 46 -9.198 7.886 3.630 1.00 0.00 C ATOM 705 CD1 PHE A 46 -9.406 7.916 5.000 1.00 0.00 C ATOM 706 CD2 PHE A 46 -7.918 8.099 3.144 1.00 0.00 C ATOM 707 CE1 PHE A 46 -8.357 8.155 5.868 1.00 0.00 C ATOM 708 CE2 PHE A 46 -6.865 8.337 4.008 1.00 0.00 C ATOM 709 CZ PHE A 46 -7.085 8.365 5.371 1.00 0.00 C ATOM 0 H PHE A 46 -12.448 6.983 4.077 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.236 9.518 3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.633 6.578 2.770 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -9.997 7.780 1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -10.398 7.751 5.394 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -7.741 8.079 2.079 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.532 8.178 6.934 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.872 8.501 3.617 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.264 8.551 6.048 1.00 0.00 H new ATOM 719 N THR A 47 -13.748 8.502 1.866 1.00 0.00 N ATOM 720 CA THR A 47 -14.677 8.548 0.742 1.00 0.00 C ATOM 721 C THR A 47 -16.124 8.497 1.226 1.00 0.00 C ATOM 722 O THR A 47 -16.946 7.757 0.685 1.00 0.00 O ATOM 723 CB THR A 47 -14.406 7.386 -0.219 1.00 0.00 C ATOM 724 OG1 THR A 47 -15.315 7.413 -1.304 1.00 0.00 O ATOM 725 CG2 THR A 47 -14.517 6.028 0.439 1.00 0.00 C ATOM 0 H THR A 47 -14.195 8.419 2.779 1.00 0.00 H new ATOM 0 HA THR A 47 -14.523 9.490 0.216 1.00 0.00 H new ATOM 0 HB THR A 47 -13.380 7.524 -0.559 1.00 0.00 H new ATOM 0 HG1 THR A 47 -16.227 7.530 -0.964 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.313 5.250 -0.296 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.794 5.957 1.252 1.00 0.00 H new ATOM 0 HG23 THR A 47 -15.524 5.897 0.836 1.00 0.00 H new ATOM 841 N VAL A 55 -10.834 10.534 -5.751 1.00 0.00 N ATOM 842 CA VAL A 55 -10.081 9.675 -4.843 1.00 0.00 C ATOM 843 C VAL A 55 -10.557 8.229 -4.929 1.00 0.00 C ATOM 844 O VAL A 55 -9.782 7.328 -5.250 1.00 0.00 O ATOM 845 CB VAL A 55 -10.200 10.163 -3.384 1.00 0.00 C ATOM 846 CG1 VAL A 55 -9.381 9.283 -2.451 1.00 0.00 C ATOM 847 CG2 VAL A 55 -9.769 11.618 -3.273 1.00 0.00 C ATOM 0 HA VAL A 55 -9.037 9.725 -5.151 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.245 10.091 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.480 9.646 -1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.743 8.256 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.333 9.315 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.859 11.946 -2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.733 11.716 -3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.406 12.236 -3.906 1.00 0.00 H new ATOM 857 N LEU A 56 -11.834 8.015 -4.638 1.00 0.00 N ATOM 858 CA LEU A 56 -12.414 6.681 -4.679 1.00 0.00 C ATOM 859 C LEU A 56 -12.420 6.140 -6.106 1.00 0.00 C ATOM 860 O LEU A 56 -11.959 5.028 -6.364 1.00 0.00 O ATOM 861 CB LEU A 56 -13.833 6.737 -4.107 1.00 0.00 C ATOM 862 CG LEU A 56 -14.776 5.610 -4.525 1.00 0.00 C ATOM 863 CD1 LEU A 56 -14.441 4.328 -3.780 1.00 0.00 C ATOM 864 CD2 LEU A 56 -16.213 6.025 -4.269 1.00 0.00 C ATOM 0 H LEU A 56 -12.488 8.751 -4.371 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.811 6.003 -4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -13.764 6.739 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -14.283 7.686 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.651 5.418 -5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -15.124 3.537 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.416 4.033 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -14.543 4.493 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -16.883 5.219 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.348 6.234 -3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -16.442 6.920 -4.847 1.00 0.00 H new ATOM 876 N ASP A 57 -12.942 6.940 -7.026 1.00 0.00 N ATOM 877 CA ASP A 57 -13.012 6.559 -8.431 1.00 0.00 C ATOM 878 C ASP A 57 -11.628 6.225 -8.978 1.00 0.00 C ATOM 879 O ASP A 57 -11.495 5.449 -9.924 1.00 0.00 O ATOM 880 CB ASP A 57 -13.640 7.685 -9.252 1.00 0.00 C ATOM 881 CG ASP A 57 -14.275 7.181 -10.533 1.00 0.00 C ATOM 882 OD1 ASP A 57 -13.538 6.986 -11.524 1.00 0.00 O ATOM 883 OD2 ASP A 57 -15.508 6.981 -10.547 1.00 0.00 O ATOM 0 H ASP A 57 -13.326 7.863 -6.823 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.635 5.668 -8.509 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.395 8.192 -8.651 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.876 8.424 -9.494 1.00 0.00 H new ATOM 888 N ARG A 58 -10.597 6.816 -8.379 1.00 0.00 N ATOM 889 CA ARG A 58 -9.224 6.578 -8.813 1.00 0.00 C ATOM 890 C ARG A 58 -8.878 5.098 -8.727 1.00 0.00 C ATOM 891 O ARG A 58 -8.364 4.513 -9.681 1.00 0.00 O ATOM 892 CB ARG A 58 -8.247 7.385 -7.954 1.00 0.00 C ATOM 893 CG ARG A 58 -7.230 8.173 -8.766 1.00 0.00 C ATOM 894 CD ARG A 58 -5.817 7.991 -8.228 1.00 0.00 C ATOM 895 NE ARG A 58 -4.909 7.466 -9.247 1.00 0.00 N ATOM 896 CZ ARG A 58 -3.763 6.847 -8.970 1.00 0.00 C ATOM 897 NH1 ARG A 58 -3.379 6.673 -7.712 1.00 0.00 N ATOM 898 NH2 ARG A 58 -2.996 6.400 -9.956 1.00 0.00 N ATOM 0 H ARG A 58 -10.686 7.461 -7.594 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.139 6.898 -9.851 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.812 8.075 -7.327 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.718 6.706 -7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.267 7.851 -9.807 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.492 9.231 -8.750 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.441 8.947 -7.865 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.838 7.312 -7.376 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.169 7.581 -10.227 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.963 7.014 -6.949 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.500 6.198 -7.508 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.284 6.531 -10.926 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.118 5.926 -9.744 1.00 0.00 H new ATOM 911 N MET A 59 -9.158 4.499 -7.576 1.00 0.00 N ATOM 912 CA MET A 59 -8.870 3.085 -7.365 1.00 0.00 C ATOM 913 C MET A 59 -9.548 2.224 -8.424 1.00 0.00 C ATOM 914 O MET A 59 -8.905 1.411 -9.083 1.00 0.00 O ATOM 915 CB MET A 59 -9.319 2.657 -5.957 1.00 0.00 C ATOM 916 CG MET A 59 -10.722 2.054 -5.877 1.00 0.00 C ATOM 917 SD MET A 59 -11.100 1.380 -4.249 1.00 0.00 S ATOM 918 CE MET A 59 -10.196 2.522 -3.218 1.00 0.00 C ATOM 0 H MET A 59 -9.583 4.968 -6.776 1.00 0.00 H new ATOM 0 HA MET A 59 -7.793 2.939 -7.452 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.605 1.929 -5.571 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.276 3.525 -5.300 1.00 0.00 H new ATOM 0 HG2 MET A 59 -11.456 2.819 -6.128 1.00 0.00 H new ATOM 0 HG3 MET A 59 -10.817 1.265 -6.623 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.632 1.967 -2.468 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.508 3.102 -3.834 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.895 3.195 -2.722 1.00 0.00 H new ATOM 928 N MET A 60 -10.853 2.406 -8.567 1.00 0.00 N ATOM 929 CA MET A 60 -11.635 1.637 -9.529 1.00 0.00 C ATOM 930 C MET A 60 -11.213 1.925 -10.963 1.00 0.00 C ATOM 931 O MET A 60 -11.435 1.110 -11.856 1.00 0.00 O ATOM 932 CB MET A 60 -13.121 1.925 -9.338 1.00 0.00 C ATOM 933 CG MET A 60 -13.598 1.642 -7.925 1.00 0.00 C ATOM 934 SD MET A 60 -14.143 -0.061 -7.707 1.00 0.00 S ATOM 935 CE MET A 60 -12.569 -0.914 -7.739 1.00 0.00 C ATOM 0 H MET A 60 -11.395 3.081 -8.028 1.00 0.00 H new ATOM 0 HA MET A 60 -11.447 0.579 -9.345 1.00 0.00 H new ATOM 0 HB2 MET A 60 -13.318 2.969 -9.581 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.697 1.320 -10.039 1.00 0.00 H new ATOM 0 HG2 MET A 60 -12.791 1.854 -7.224 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.419 2.317 -7.680 1.00 0.00 H new ATOM 0 HE1 MET A 60 -12.582 -1.729 -7.016 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.394 -1.317 -8.737 1.00 0.00 H new ATOM 0 HE3 MET A 60 -11.772 -0.216 -7.484 1.00 0.00 H new ATOM 1083 N GLN A 70 -10.001 -11.104 -11.400 1.00 0.00 N ATOM 1084 CA GLN A 70 -10.445 -10.566 -10.119 1.00 0.00 C ATOM 1085 C GLN A 70 -9.484 -9.491 -9.619 1.00 0.00 C ATOM 1086 O GLN A 70 -8.622 -9.026 -10.363 1.00 0.00 O ATOM 1087 CB GLN A 70 -10.563 -11.692 -9.084 1.00 0.00 C ATOM 1088 CG GLN A 70 -11.898 -12.417 -9.130 1.00 0.00 C ATOM 1089 CD GLN A 70 -12.934 -11.802 -8.207 1.00 0.00 C ATOM 1090 OE1 GLN A 70 -13.075 -10.482 -8.265 1.00 0.00 O flip ATOM 1091 NE2 GLN A 70 -13.601 -12.506 -7.449 1.00 0.00 N flip ATOM 0 HA GLN A 70 -11.425 -10.110 -10.261 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.761 -12.412 -9.248 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.418 -11.276 -8.087 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.277 -12.406 -10.152 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.749 -13.461 -8.856 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.461 -13.516 -7.436 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.294 -12.079 -6.834 1.00 0.00 H new ATOM 1100 N LEU A 71 -9.634 -9.101 -8.354 1.00 0.00 N ATOM 1101 CA LEU A 71 -8.774 -8.092 -7.761 1.00 0.00 C ATOM 1102 C LEU A 71 -7.327 -8.611 -7.735 1.00 0.00 C ATOM 1103 O LEU A 71 -6.868 -9.176 -8.727 1.00 0.00 O ATOM 1104 CB LEU A 71 -9.306 -7.725 -6.363 1.00 0.00 C ATOM 1105 CG LEU A 71 -10.051 -6.384 -6.252 1.00 0.00 C ATOM 1106 CD1 LEU A 71 -9.101 -5.279 -5.818 1.00 0.00 C ATOM 1107 CD2 LEU A 71 -10.738 -6.017 -7.563 1.00 0.00 C ATOM 0 H LEU A 71 -10.345 -9.472 -7.724 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.778 -7.178 -8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.977 -8.518 -6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.465 -7.709 -5.670 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.825 -6.496 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.646 -4.338 -5.745 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.674 -5.527 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.301 -5.179 -6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.255 -5.064 -7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.992 -5.933 -8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.459 -6.791 -7.825 1.00 0.00 H new ATOM 1119 N ASP A 72 -6.604 -8.442 -6.626 1.00 0.00 N ATOM 1120 CA ASP A 72 -5.220 -8.926 -6.553 1.00 0.00 C ATOM 1121 C ASP A 72 -4.530 -8.474 -5.270 1.00 0.00 C ATOM 1122 O ASP A 72 -5.172 -7.972 -4.349 1.00 0.00 O ATOM 1123 CB ASP A 72 -4.408 -8.445 -7.762 1.00 0.00 C ATOM 1124 CG ASP A 72 -3.514 -9.531 -8.327 1.00 0.00 C ATOM 1125 OD1 ASP A 72 -4.029 -10.628 -8.628 1.00 0.00 O ATOM 1126 OD2 ASP A 72 -2.298 -9.284 -8.469 1.00 0.00 O ATOM 0 H ASP A 72 -6.943 -7.983 -5.780 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.265 -10.015 -6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.089 -8.098 -8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.797 -7.591 -7.469 1.00 0.00 H new ATOM 1131 N PHE A 73 -3.213 -8.663 -5.221 1.00 0.00 N ATOM 1132 CA PHE A 73 -2.427 -8.286 -4.055 1.00 0.00 C ATOM 1133 C PHE A 73 -2.204 -6.776 -3.991 1.00 0.00 C ATOM 1134 O PHE A 73 -2.630 -6.128 -3.034 1.00 0.00 O ATOM 1135 CB PHE A 73 -1.091 -9.036 -4.038 1.00 0.00 C ATOM 1136 CG PHE A 73 -0.124 -8.603 -5.102 1.00 0.00 C ATOM 1137 CD1 PHE A 73 -0.249 -9.064 -6.403 1.00 0.00 C ATOM 1138 CD2 PHE A 73 0.911 -7.733 -4.799 1.00 0.00 C ATOM 1139 CE1 PHE A 73 0.642 -8.665 -7.382 1.00 0.00 C ATOM 1140 CE2 PHE A 73 1.805 -7.332 -5.774 1.00 0.00 C ATOM 1141 CZ PHE A 73 1.669 -7.797 -7.067 1.00 0.00 C ATOM 0 H PHE A 73 -2.669 -9.076 -5.979 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.994 -8.570 -3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.624 -8.900 -3.062 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.285 -10.102 -4.153 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.051 -9.742 -6.655 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.020 -7.364 -3.790 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.535 -9.032 -8.392 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.609 -6.656 -5.525 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.365 -7.482 -7.831 1.00 0.00 H new ATOM 1151 N GLN A 74 -1.550 -6.204 -5.004 1.00 0.00 N ATOM 1152 CA GLN A 74 -1.318 -4.768 -5.007 1.00 0.00 C ATOM 1153 C GLN A 74 -2.558 -4.033 -5.471 1.00 0.00 C ATOM 1154 O GLN A 74 -2.768 -2.884 -5.103 1.00 0.00 O ATOM 1155 CB GLN A 74 -0.122 -4.368 -5.870 1.00 0.00 C ATOM 1156 CG GLN A 74 0.630 -3.165 -5.309 1.00 0.00 C ATOM 1157 CD GLN A 74 0.421 -1.894 -6.119 1.00 0.00 C ATOM 1158 OE1 GLN A 74 -0.215 -0.885 -5.515 1.00 0.00 O flip ATOM 1159 NE2 GLN A 74 0.827 -1.817 -7.278 1.00 0.00 N flip ATOM 0 H GLN A 74 -1.181 -6.704 -5.813 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.087 -4.484 -3.980 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.561 -5.213 -5.952 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.467 -4.138 -6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.308 -2.990 -4.282 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.695 -3.395 -5.274 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.308 -2.609 -7.704 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.683 -0.961 -7.813 1.00 0.00 H new ATOM 1168 N GLU A 75 -3.400 -4.701 -6.263 1.00 0.00 N ATOM 1169 CA GLU A 75 -4.633 -4.079 -6.733 1.00 0.00 C ATOM 1170 C GLU A 75 -5.325 -3.400 -5.560 1.00 0.00 C ATOM 1171 O GLU A 75 -5.969 -2.363 -5.713 1.00 0.00 O ATOM 1172 CB GLU A 75 -5.562 -5.113 -7.374 1.00 0.00 C ATOM 1173 CG GLU A 75 -5.815 -4.862 -8.851 1.00 0.00 C ATOM 1174 CD GLU A 75 -5.948 -6.143 -9.650 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -7.069 -6.688 -9.717 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -4.928 -6.602 -10.209 1.00 0.00 O ATOM 0 H GLU A 75 -3.252 -5.657 -6.586 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.389 -3.338 -7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.129 -6.106 -7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.515 -5.113 -6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.725 -4.273 -8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.997 -4.268 -9.259 1.00 0.00 H new ATOM 1183 N PHE A 76 -5.145 -3.987 -4.376 1.00 0.00 N ATOM 1184 CA PHE A 76 -5.705 -3.442 -3.155 1.00 0.00 C ATOM 1185 C PHE A 76 -4.830 -2.308 -2.647 1.00 0.00 C ATOM 1186 O PHE A 76 -5.301 -1.192 -2.437 1.00 0.00 O ATOM 1187 CB PHE A 76 -5.815 -4.523 -2.084 1.00 0.00 C ATOM 1188 CG PHE A 76 -6.996 -4.328 -1.183 1.00 0.00 C ATOM 1189 CD1 PHE A 76 -6.908 -3.497 -0.081 1.00 0.00 C ATOM 1190 CD2 PHE A 76 -8.197 -4.966 -1.446 1.00 0.00 C ATOM 1191 CE1 PHE A 76 -7.996 -3.305 0.747 1.00 0.00 C ATOM 1192 CE2 PHE A 76 -9.289 -4.779 -0.621 1.00 0.00 C ATOM 1193 CZ PHE A 76 -9.188 -3.948 0.477 1.00 0.00 C ATOM 0 H PHE A 76 -4.611 -4.846 -4.245 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.703 -3.062 -3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.887 -5.499 -2.565 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.904 -4.529 -1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.978 -2.993 0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.280 -5.616 -2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.915 -2.653 1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.220 -5.282 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.040 -3.801 1.124 1.00 0.00 H new ATOM 1203 N LEU A 77 -3.542 -2.597 -2.470 1.00 0.00 N ATOM 1204 CA LEU A 77 -2.595 -1.592 -2.007 1.00 0.00 C ATOM 1205 C LEU A 77 -2.628 -0.387 -2.938 1.00 0.00 C ATOM 1206 O LEU A 77 -2.481 0.751 -2.506 1.00 0.00 O ATOM 1207 CB LEU A 77 -1.187 -2.180 -1.922 1.00 0.00 C ATOM 1208 CG LEU A 77 -0.812 -2.718 -0.540 1.00 0.00 C ATOM 1209 CD1 LEU A 77 0.421 -3.604 -0.617 1.00 0.00 C ATOM 1210 CD2 LEU A 77 -0.594 -1.567 0.429 1.00 0.00 C ATOM 0 H LEU A 77 -3.134 -3.516 -2.640 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.881 -1.267 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.098 -2.987 -2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.468 -1.413 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.636 -3.329 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.666 -3.973 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.222 -4.447 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.260 -3.027 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.328 -1.962 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.212 -0.931 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.510 -0.982 0.510 1.00 0.00 H new ATOM 1222 N ASN A 78 -2.865 -0.655 -4.218 1.00 0.00 N ATOM 1223 CA ASN A 78 -2.970 0.396 -5.216 1.00 0.00 C ATOM 1224 C ASN A 78 -4.324 1.074 -5.060 1.00 0.00 C ATOM 1225 O ASN A 78 -4.451 2.290 -5.207 1.00 0.00 O ATOM 1226 CB ASN A 78 -2.812 -0.186 -6.632 1.00 0.00 C ATOM 1227 CG ASN A 78 -3.769 0.421 -7.645 1.00 0.00 C ATOM 1228 OD1 ASN A 78 -3.720 1.620 -7.921 1.00 0.00 O ATOM 1229 ND2 ASN A 78 -4.647 -0.406 -8.200 1.00 0.00 N ATOM 0 H ASN A 78 -2.988 -1.598 -4.587 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.174 1.127 -5.070 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.788 -0.027 -6.970 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.971 -1.264 -6.594 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.316 -0.055 -8.885 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.652 -1.393 -7.942 1.00 0.00 H new ATOM 1236 N LEU A 79 -5.335 0.265 -4.749 1.00 0.00 N ATOM 1237 CA LEU A 79 -6.681 0.767 -4.558 1.00 0.00 C ATOM 1238 C LEU A 79 -6.733 1.666 -3.329 1.00 0.00 C ATOM 1239 O LEU A 79 -7.082 2.840 -3.428 1.00 0.00 O ATOM 1240 CB LEU A 79 -7.656 -0.404 -4.396 1.00 0.00 C ATOM 1241 CG LEU A 79 -8.580 -0.673 -5.589 1.00 0.00 C ATOM 1242 CD1 LEU A 79 -7.818 -0.652 -6.904 1.00 0.00 C ATOM 1243 CD2 LEU A 79 -9.299 -2.001 -5.416 1.00 0.00 C ATOM 0 H LEU A 79 -5.240 -0.743 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.970 1.350 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.079 -1.307 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.273 -0.219 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.319 0.128 -5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.506 -0.847 -7.726 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.356 0.326 -7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.045 -1.420 -6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.951 -2.176 -6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.566 -2.805 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.896 -1.975 -4.504 1.00 0.00 H new ATOM 1255 N ILE A 80 -6.357 1.115 -2.177 1.00 0.00 N ATOM 1256 CA ILE A 80 -6.344 1.878 -0.936 1.00 0.00 C ATOM 1257 C ILE A 80 -5.172 2.847 -0.917 1.00 0.00 C ATOM 1258 O ILE A 80 -5.329 4.018 -0.570 1.00 0.00 O ATOM 1259 CB ILE A 80 -6.309 0.974 0.313 1.00 0.00 C ATOM 1260 CG1 ILE A 80 -6.790 1.756 1.531 1.00 0.00 C ATOM 1261 CG2 ILE A 80 -4.917 0.432 0.560 1.00 0.00 C ATOM 1262 CD1 ILE A 80 -5.697 2.565 2.196 1.00 0.00 C ATOM 0 H ILE A 80 -6.058 0.145 -2.079 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.277 2.440 -0.901 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.973 0.127 0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.595 2.426 1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.210 1.060 2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.925 -0.201 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.597 -0.154 -0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.226 1.261 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.108 3.096 3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.902 1.898 2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.293 3.285 1.484 1.00 0.00 H new ATOM 1274 N GLY A 81 -3.996 2.366 -1.319 1.00 0.00 N ATOM 1275 CA GLY A 81 -2.829 3.228 -1.363 1.00 0.00 C ATOM 1276 C GLY A 81 -3.131 4.474 -2.159 1.00 0.00 C ATOM 1277 O GLY A 81 -2.893 5.591 -1.701 1.00 0.00 O ATOM 0 H GLY A 81 -3.833 1.403 -1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.529 3.498 -0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.991 2.695 -1.812 1.00 0.00 H new ATOM 1281 N GLY A 82 -3.695 4.276 -3.349 1.00 0.00 N ATOM 1282 CA GLY A 82 -4.065 5.407 -4.183 1.00 0.00 C ATOM 1283 C GLY A 82 -4.908 6.409 -3.414 1.00 0.00 C ATOM 1284 O GLY A 82 -4.677 7.615 -3.500 1.00 0.00 O ATOM 0 H GLY A 82 -3.901 3.360 -3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.165 5.896 -4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.619 5.054 -5.053 1.00 0.00 H new ATOM 1288 N LEU A 83 -5.878 5.915 -2.637 1.00 0.00 N ATOM 1289 CA LEU A 83 -6.722 6.799 -1.836 1.00 0.00 C ATOM 1290 C LEU A 83 -5.860 7.647 -0.914 1.00 0.00 C ATOM 1291 O LEU A 83 -6.063 8.855 -0.793 1.00 0.00 O ATOM 1292 CB LEU A 83 -7.723 5.999 -1.002 1.00 0.00 C ATOM 1293 CG LEU A 83 -8.308 4.773 -1.693 1.00 0.00 C ATOM 1294 CD1 LEU A 83 -9.391 4.140 -0.834 1.00 0.00 C ATOM 1295 CD2 LEU A 83 -8.852 5.144 -3.065 1.00 0.00 C ATOM 0 H LEU A 83 -6.094 4.922 -2.548 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.276 7.444 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.232 5.679 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.541 6.659 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.513 4.040 -1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.796 3.266 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.966 3.836 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.189 4.863 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.266 4.257 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.634 5.895 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.046 5.546 -3.679 1.00 0.00 H new ATOM 1307 N ALA A 84 -4.885 7.008 -0.268 1.00 0.00 N ATOM 1308 CA ALA A 84 -3.988 7.717 0.636 1.00 0.00 C ATOM 1309 C ALA A 84 -3.315 8.879 -0.070 1.00 0.00 C ATOM 1310 O ALA A 84 -3.167 9.962 0.488 1.00 0.00 O ATOM 1311 CB ALA A 84 -2.914 6.787 1.163 1.00 0.00 C ATOM 0 H ALA A 84 -4.699 6.009 -0.354 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.590 8.092 1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.255 7.336 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.380 5.963 1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.334 6.392 0.329 1.00 0.00 H new ATOM 1317 N VAL A 85 -2.904 8.638 -1.300 1.00 0.00 N ATOM 1318 CA VAL A 85 -2.233 9.661 -2.088 1.00 0.00 C ATOM 1319 C VAL A 85 -3.208 10.714 -2.565 1.00 0.00 C ATOM 1320 O VAL A 85 -2.817 11.804 -2.980 1.00 0.00 O ATOM 1321 CB VAL A 85 -1.468 9.084 -3.303 1.00 0.00 C ATOM 1322 CG1 VAL A 85 -0.013 9.491 -3.216 1.00 0.00 C ATOM 1323 CG2 VAL A 85 -1.575 7.567 -3.390 1.00 0.00 C ATOM 0 H VAL A 85 -3.022 7.744 -1.777 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.502 10.115 -1.419 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.924 9.491 -4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.530 9.086 -4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.062 10.578 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.419 9.102 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.021 7.212 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.158 7.120 -2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.622 7.281 -3.486 1.00 0.00 H new ATOM 1333 N ALA A 86 -4.477 10.375 -2.514 1.00 0.00 N ATOM 1334 CA ALA A 86 -5.520 11.269 -2.948 1.00 0.00 C ATOM 1335 C ALA A 86 -6.329 11.800 -1.770 1.00 0.00 C ATOM 1336 O ALA A 86 -7.430 12.319 -1.947 1.00 0.00 O ATOM 1337 CB ALA A 86 -6.403 10.519 -3.907 1.00 0.00 C ATOM 0 H ALA A 86 -4.811 9.474 -2.171 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.077 12.136 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.203 11.173 -4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.813 10.186 -4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.834 9.653 -3.404 1.00 0.00 H new ATOM 1343 N CYS A 87 -5.781 11.660 -0.566 1.00 0.00 N ATOM 1344 CA CYS A 87 -6.470 12.125 0.629 1.00 0.00 C ATOM 1345 C CYS A 87 -5.510 12.363 1.797 1.00 0.00 C ATOM 1346 O CYS A 87 -5.719 13.278 2.592 1.00 0.00 O ATOM 1347 CB CYS A 87 -7.545 11.118 1.041 1.00 0.00 C ATOM 1348 SG CYS A 87 -8.531 11.630 2.468 1.00 0.00 S ATOM 0 H CYS A 87 -4.871 11.232 -0.395 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.932 13.081 0.383 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.211 10.948 0.195 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.067 10.165 1.267 1.00 0.00 H new ATOM 0 HG CYS A 87 -8.726 10.610 3.250 1.00 0.00 H new ATOM 1354 N HIS A 88 -4.473 11.532 1.922 1.00 0.00 N ATOM 1355 CA HIS A 88 -3.530 11.683 3.033 1.00 0.00 C ATOM 1356 C HIS A 88 -2.100 11.982 2.575 1.00 0.00 C ATOM 1357 O HIS A 88 -1.580 13.069 2.833 1.00 0.00 O ATOM 1358 CB HIS A 88 -3.537 10.431 3.908 1.00 0.00 C ATOM 1359 CG HIS A 88 -4.430 10.544 5.104 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -5.630 11.223 5.086 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -4.292 10.062 6.363 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -6.190 11.155 6.281 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -5.399 10.456 7.073 1.00 0.00 N ATOM 0 H HIS A 88 -4.267 10.764 1.283 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.869 12.545 3.607 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.854 9.579 3.307 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -2.520 10.225 4.242 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.465 9.477 6.738 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -7.135 11.597 6.562 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.581 10.243 8.054 1.00 0.00 H new ATOM 1372 N GLU A 89 -1.456 11.005 1.931 1.00 0.00 N ATOM 1373 CA GLU A 89 -0.067 11.154 1.471 1.00 0.00 C ATOM 1374 C GLU A 89 0.229 12.564 0.980 1.00 0.00 C ATOM 1375 O GLU A 89 -0.674 13.305 0.590 1.00 0.00 O ATOM 1376 CB GLU A 89 0.266 10.151 0.363 1.00 0.00 C ATOM 1377 CG GLU A 89 -0.226 8.737 0.634 1.00 0.00 C ATOM 1378 CD GLU A 89 0.901 7.724 0.699 1.00 0.00 C ATOM 1379 OE1 GLU A 89 2.056 8.136 0.941 1.00 0.00 O ATOM 1380 OE2 GLU A 89 0.630 6.521 0.506 1.00 0.00 O ATOM 0 H GLU A 89 -1.873 10.100 1.715 1.00 0.00 H new ATOM 0 HA GLU A 89 0.562 10.953 2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.169 10.502 -0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.347 10.127 0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.776 8.723 1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.926 8.445 -0.149 1.00 0.00 H new ATOM 1387 N SER A 90 1.507 12.925 1.010 1.00 0.00 N ATOM 1388 CA SER A 90 1.940 14.244 0.579 1.00 0.00 C ATOM 1389 C SER A 90 1.760 14.418 -0.928 1.00 0.00 C ATOM 1390 O SER A 90 2.734 14.548 -1.670 1.00 0.00 O ATOM 1391 CB SER A 90 3.404 14.475 0.962 1.00 0.00 C ATOM 1392 OG SER A 90 3.639 15.836 1.284 1.00 0.00 O ATOM 0 H SER A 90 2.262 12.318 1.330 1.00 0.00 H new ATOM 0 HA SER A 90 1.318 14.983 1.085 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.664 13.847 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.050 14.176 0.137 1.00 0.00 H new ATOM 0 HG SER A 90 4.581 15.957 1.527 1.00 0.00 H new ATOM 1398 N PHE A 91 0.507 14.422 -1.373 1.00 0.00 N ATOM 1399 CA PHE A 91 0.197 14.582 -2.788 1.00 0.00 C ATOM 1400 C PHE A 91 -1.055 15.431 -2.973 1.00 0.00 C ATOM 1401 O PHE A 91 -1.068 16.376 -3.762 1.00 0.00 O ATOM 1402 CB PHE A 91 0.003 13.217 -3.451 1.00 0.00 C ATOM 1403 CG PHE A 91 0.609 13.125 -4.822 1.00 0.00 C ATOM 1404 CD1 PHE A 91 0.250 14.023 -5.813 1.00 0.00 C ATOM 1405 CD2 PHE A 91 1.538 12.140 -5.119 1.00 0.00 C ATOM 1406 CE1 PHE A 91 0.806 13.941 -7.076 1.00 0.00 C ATOM 1407 CE2 PHE A 91 2.097 12.053 -6.379 1.00 0.00 C ATOM 1408 CZ PHE A 91 1.731 12.955 -7.359 1.00 0.00 C ATOM 0 H PHE A 91 -0.311 14.316 -0.772 1.00 0.00 H new ATOM 0 HA PHE A 91 1.036 15.090 -3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.442 12.448 -2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.064 13.003 -3.519 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -0.472 14.796 -5.597 1.00 0.00 H new ATOM 0 HD2 PHE A 91 1.828 11.432 -4.356 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.517 14.647 -7.841 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.819 11.281 -6.598 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.167 12.889 -8.345 1.00 0.00 H new ATOM 1418 N VAL A 92 -2.107 15.085 -2.238 1.00 0.00 N ATOM 1419 CA VAL A 92 -3.366 15.813 -2.318 1.00 0.00 C ATOM 1420 C VAL A 92 -3.229 17.216 -1.731 1.00 0.00 C ATOM 1421 O VAL A 92 -3.978 18.125 -2.090 1.00 0.00 O ATOM 1422 CB VAL A 92 -4.496 15.062 -1.583 1.00 0.00 C ATOM 1423 CG1 VAL A 92 -4.159 14.890 -0.110 1.00 0.00 C ATOM 1424 CG2 VAL A 92 -5.823 15.789 -1.753 1.00 0.00 C ATOM 0 H VAL A 92 -2.112 14.305 -1.581 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.622 15.891 -3.375 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.592 14.071 -2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.969 14.358 0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.236 14.319 -0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.030 15.869 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.607 15.243 -1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.742 16.795 -1.341 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.071 15.850 -2.813 1.00 0.00 H new ATOM 1638 N THR B 4 -10.086 3.542 13.257 1.00 0.00 N ATOM 1639 CA THR B 4 -10.308 2.233 12.653 1.00 0.00 C ATOM 1640 C THR B 4 -8.989 1.565 12.303 1.00 0.00 C ATOM 1641 O THR B 4 -8.020 2.221 11.923 1.00 0.00 O ATOM 1642 CB THR B 4 -11.197 2.351 11.406 1.00 0.00 C ATOM 1643 OG1 THR B 4 -11.003 1.244 10.544 1.00 0.00 O ATOM 1644 CG2 THR B 4 -10.954 3.608 10.596 1.00 0.00 C ATOM 0 HA THR B 4 -10.822 1.610 13.385 1.00 0.00 H new ATOM 0 HB THR B 4 -12.216 2.384 11.791 1.00 0.00 H new ATOM 0 HG1 THR B 4 -11.579 1.337 9.757 1.00 0.00 H new ATOM 0 HG21 THR B 4 -11.619 3.619 9.732 1.00 0.00 H new ATOM 0 HG22 THR B 4 -11.149 4.483 11.215 1.00 0.00 H new ATOM 0 HG23 THR B 4 -9.918 3.628 10.257 1.00 0.00 H new ATOM 1652 N GLU B 5 -8.968 0.246 12.441 1.00 0.00 N ATOM 1653 CA GLU B 5 -7.785 -0.548 12.150 1.00 0.00 C ATOM 1654 C GLU B 5 -7.143 -0.112 10.838 1.00 0.00 C ATOM 1655 O GLU B 5 -5.926 0.057 10.754 1.00 0.00 O ATOM 1656 CB GLU B 5 -8.175 -2.021 12.093 1.00 0.00 C ATOM 1657 CG GLU B 5 -7.202 -2.938 12.816 1.00 0.00 C ATOM 1658 CD GLU B 5 -7.512 -4.406 12.598 1.00 0.00 C ATOM 1659 OE1 GLU B 5 -8.686 -4.728 12.315 1.00 0.00 O ATOM 1660 OE2 GLU B 5 -6.584 -5.232 12.710 1.00 0.00 O ATOM 0 H GLU B 5 -9.769 -0.301 12.757 1.00 0.00 H new ATOM 0 HA GLU B 5 -7.051 -0.396 12.941 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -9.167 -2.142 12.528 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -8.245 -2.329 11.050 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -6.189 -2.730 12.473 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -7.228 -2.720 13.884 1.00 0.00 H new ATOM 1667 N THR B 6 -7.973 0.091 9.822 1.00 0.00 N ATOM 1668 CA THR B 6 -7.492 0.532 8.520 1.00 0.00 C ATOM 1669 C THR B 6 -6.903 1.933 8.634 1.00 0.00 C ATOM 1670 O THR B 6 -5.870 2.236 8.047 1.00 0.00 O ATOM 1671 CB THR B 6 -8.635 0.529 7.505 1.00 0.00 C ATOM 1672 OG1 THR B 6 -9.610 -0.438 7.850 1.00 0.00 O ATOM 1673 CG2 THR B 6 -8.180 0.241 6.093 1.00 0.00 C ATOM 0 H THR B 6 -8.983 -0.043 9.875 1.00 0.00 H new ATOM 0 HA THR B 6 -6.718 -0.156 8.179 1.00 0.00 H new ATOM 0 HB THR B 6 -9.051 1.536 7.536 1.00 0.00 H new ATOM 0 HG1 THR B 6 -10.291 -0.026 8.421 1.00 0.00 H new ATOM 0 HG21 THR B 6 -9.040 0.254 5.424 1.00 0.00 H new ATOM 0 HG22 THR B 6 -7.465 1.001 5.779 1.00 0.00 H new ATOM 0 HG23 THR B 6 -7.706 -0.740 6.056 1.00 0.00 H new ATOM 1681 N GLU B 7 -7.560 2.783 9.409 1.00 0.00 N ATOM 1682 CA GLU B 7 -7.097 4.155 9.595 1.00 0.00 C ATOM 1683 C GLU B 7 -5.622 4.172 9.989 1.00 0.00 C ATOM 1684 O GLU B 7 -4.867 5.050 9.569 1.00 0.00 O ATOM 1685 CB GLU B 7 -7.935 4.856 10.669 1.00 0.00 C ATOM 1686 CG GLU B 7 -8.754 6.020 10.136 1.00 0.00 C ATOM 1687 CD GLU B 7 -8.095 7.361 10.395 1.00 0.00 C ATOM 1688 OE1 GLU B 7 -6.872 7.383 10.645 1.00 0.00 O ATOM 1689 OE2 GLU B 7 -8.803 8.389 10.349 1.00 0.00 O ATOM 0 H GLU B 7 -8.412 2.551 9.919 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.213 4.689 8.652 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -8.606 4.129 11.126 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -7.273 5.218 11.456 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -8.904 5.894 9.064 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -9.741 6.008 10.599 1.00 0.00 H new ATOM 1696 N ARG B 8 -5.215 3.187 10.780 1.00 0.00 N ATOM 1697 CA ARG B 8 -3.830 3.076 11.207 1.00 0.00 C ATOM 1698 C ARG B 8 -2.974 2.456 10.103 1.00 0.00 C ATOM 1699 O ARG B 8 -1.768 2.694 10.031 1.00 0.00 O ATOM 1700 CB ARG B 8 -3.738 2.234 12.482 1.00 0.00 C ATOM 1701 CG ARG B 8 -2.311 1.972 12.937 1.00 0.00 C ATOM 1702 CD ARG B 8 -2.162 2.137 14.442 1.00 0.00 C ATOM 1703 NE ARG B 8 -1.910 3.526 14.818 1.00 0.00 N ATOM 1704 CZ ARG B 8 -0.787 4.179 14.531 1.00 0.00 C ATOM 1705 NH1 ARG B 8 0.188 3.574 13.865 1.00 0.00 N ATOM 1706 NH2 ARG B 8 -0.638 5.441 14.910 1.00 0.00 N ATOM 0 H ARG B 8 -5.827 2.454 11.138 1.00 0.00 H new ATOM 0 HA ARG B 8 -3.451 4.077 11.415 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -4.278 2.741 13.282 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -4.238 1.280 12.314 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -2.017 0.962 12.651 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -1.634 2.658 12.427 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -3.068 1.786 14.937 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -1.343 1.511 14.796 1.00 0.00 H new ATOM 0 HE ARG B 8 -2.638 4.024 15.331 1.00 0.00 H new ATOM 0 HH11 ARG B 8 0.079 2.604 13.570 1.00 0.00 H new ATOM 0 HH12 ARG B 8 1.047 4.079 13.648 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -1.385 5.911 15.422 1.00 0.00 H new ATOM 0 HH22 ARG B 8 0.223 5.941 14.690 1.00 0.00 H new ATOM 1719 N CYS B 9 -3.606 1.650 9.251 1.00 0.00 N ATOM 1720 CA CYS B 9 -2.904 0.982 8.157 1.00 0.00 C ATOM 1721 C CYS B 9 -2.425 1.978 7.103 1.00 0.00 C ATOM 1722 O CYS B 9 -1.310 1.867 6.594 1.00 0.00 O ATOM 1723 CB CYS B 9 -3.802 -0.093 7.522 1.00 0.00 C ATOM 1724 SG CYS B 9 -4.920 0.494 6.220 1.00 0.00 S ATOM 0 H CYS B 9 -4.604 1.444 9.298 1.00 0.00 H new ATOM 0 HA CYS B 9 -2.020 0.499 8.574 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.166 -0.874 7.106 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -4.399 -0.554 8.309 1.00 0.00 H new ATOM 0 HG CYS B 9 -5.681 1.436 6.693 1.00 0.00 H new ATOM 1730 N ILE B 10 -3.275 2.944 6.770 1.00 0.00 N ATOM 1731 CA ILE B 10 -2.934 3.942 5.772 1.00 0.00 C ATOM 1732 C ILE B 10 -1.894 4.924 6.293 1.00 0.00 C ATOM 1733 O ILE B 10 -0.858 5.130 5.668 1.00 0.00 O ATOM 1734 CB ILE B 10 -4.175 4.736 5.322 1.00 0.00 C ATOM 1735 CG1 ILE B 10 -5.292 3.790 4.892 1.00 0.00 C ATOM 1736 CG2 ILE B 10 -3.816 5.672 4.180 1.00 0.00 C ATOM 1737 CD1 ILE B 10 -6.384 3.627 5.918 1.00 0.00 C ATOM 0 H ILE B 10 -4.203 3.054 7.178 1.00 0.00 H new ATOM 0 HA ILE B 10 -2.522 3.397 4.923 1.00 0.00 H new ATOM 0 HB ILE B 10 -4.528 5.328 6.167 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -5.730 4.159 3.965 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -4.863 2.812 4.674 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -4.702 6.227 3.872 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -3.047 6.371 4.510 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.441 5.091 3.338 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.140 2.940 5.538 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -5.961 3.228 6.840 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -6.842 4.596 6.119 1.00 0.00 H new ATOM 1749 N GLU B 11 -2.185 5.543 7.429 1.00 0.00 N ATOM 1750 CA GLU B 11 -1.286 6.531 8.014 1.00 0.00 C ATOM 1751 C GLU B 11 0.137 6.002 8.149 1.00 0.00 C ATOM 1752 O GLU B 11 1.094 6.776 8.143 1.00 0.00 O ATOM 1753 CB GLU B 11 -1.806 6.985 9.378 1.00 0.00 C ATOM 1754 CG GLU B 11 -1.965 8.493 9.483 1.00 0.00 C ATOM 1755 CD GLU B 11 -1.335 9.060 10.741 1.00 0.00 C ATOM 1756 OE1 GLU B 11 -1.138 8.291 11.705 1.00 0.00 O ATOM 1757 OE2 GLU B 11 -1.039 10.274 10.761 1.00 0.00 O ATOM 0 H GLU B 11 -3.037 5.379 7.965 1.00 0.00 H new ATOM 0 HA GLU B 11 -1.259 7.383 7.335 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -2.768 6.510 9.570 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -1.121 6.643 10.154 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -1.512 8.964 8.610 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -3.025 8.745 9.467 1.00 0.00 H new ATOM 1764 N SER B 12 0.279 4.691 8.279 1.00 0.00 N ATOM 1765 CA SER B 12 1.598 4.095 8.424 1.00 0.00 C ATOM 1766 C SER B 12 2.333 4.011 7.084 1.00 0.00 C ATOM 1767 O SER B 12 3.441 4.523 6.953 1.00 0.00 O ATOM 1768 CB SER B 12 1.481 2.705 9.047 1.00 0.00 C ATOM 1769 OG SER B 12 0.877 2.767 10.327 1.00 0.00 O ATOM 0 H SER B 12 -0.494 4.026 8.287 1.00 0.00 H new ATOM 0 HA SER B 12 2.182 4.739 9.082 1.00 0.00 H new ATOM 0 HB2 SER B 12 0.892 2.060 8.395 1.00 0.00 H new ATOM 0 HB3 SER B 12 2.471 2.256 9.130 1.00 0.00 H new ATOM 0 HG SER B 12 -0.098 2.743 10.230 1.00 0.00 H new ATOM 1775 N LEU B 13 1.720 3.365 6.093 1.00 0.00 N ATOM 1776 CA LEU B 13 2.341 3.220 4.780 1.00 0.00 C ATOM 1777 C LEU B 13 2.675 4.576 4.157 1.00 0.00 C ATOM 1778 O LEU B 13 3.617 4.699 3.373 1.00 0.00 O ATOM 1779 CB LEU B 13 1.433 2.410 3.863 1.00 0.00 C ATOM 1780 CG LEU B 13 1.653 0.899 3.930 1.00 0.00 C ATOM 1781 CD1 LEU B 13 3.109 0.556 3.669 1.00 0.00 C ATOM 1782 CD2 LEU B 13 1.229 0.342 5.276 1.00 0.00 C ATOM 0 H LEU B 13 0.798 2.936 6.175 1.00 0.00 H new ATOM 0 HA LEU B 13 3.283 2.687 4.909 1.00 0.00 H new ATOM 0 HB2 LEU B 13 0.395 2.625 4.117 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.585 2.742 2.836 1.00 0.00 H new ATOM 0 HG LEU B 13 1.036 0.443 3.156 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.243 -0.524 3.721 1.00 0.00 H new ATOM 0 HD12 LEU B 13 3.394 0.909 2.678 1.00 0.00 H new ATOM 0 HD13 LEU B 13 3.736 1.036 4.420 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.397 -0.735 5.294 1.00 0.00 H new ATOM 0 HD22 LEU B 13 1.814 0.814 6.066 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.171 0.546 5.437 1.00 0.00 H new ATOM 1794 N ILE B 14 1.921 5.597 4.520 1.00 0.00 N ATOM 1795 CA ILE B 14 2.162 6.929 4.017 1.00 0.00 C ATOM 1796 C ILE B 14 3.408 7.504 4.631 1.00 0.00 C ATOM 1797 O ILE B 14 4.168 8.219 3.987 1.00 0.00 O ATOM 1798 CB ILE B 14 1.041 7.875 4.421 1.00 0.00 C ATOM 1799 CG1 ILE B 14 -0.312 7.301 4.074 1.00 0.00 C ATOM 1800 CG2 ILE B 14 1.243 9.225 3.783 1.00 0.00 C ATOM 1801 CD1 ILE B 14 -1.393 7.843 4.966 1.00 0.00 C ATOM 0 H ILE B 14 1.134 5.525 5.165 1.00 0.00 H new ATOM 0 HA ILE B 14 2.241 6.842 2.933 1.00 0.00 H new ATOM 0 HB ILE B 14 1.071 8.000 5.503 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.549 7.531 3.035 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.279 6.215 4.161 1.00 0.00 H new ATOM 0 HG21 ILE B 14 0.434 9.893 4.080 1.00 0.00 H new ATOM 0 HG22 ILE B 14 2.196 9.642 4.108 1.00 0.00 H new ATOM 0 HG23 ILE B 14 1.245 9.118 2.698 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.351 7.406 4.684 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.170 7.591 6.003 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.444 8.927 4.859 1.00 0.00 H new ATOM 1813 N ALA B 15 3.555 7.220 5.907 1.00 0.00 N ATOM 1814 CA ALA B 15 4.643 7.738 6.688 1.00 0.00 C ATOM 1815 C ALA B 15 5.938 6.999 6.422 1.00 0.00 C ATOM 1816 O ALA B 15 7.000 7.615 6.335 1.00 0.00 O ATOM 1817 CB ALA B 15 4.240 7.702 8.139 1.00 0.00 C ATOM 0 H ALA B 15 2.917 6.620 6.429 1.00 0.00 H new ATOM 0 HA ALA B 15 4.844 8.770 6.400 1.00 0.00 H new ATOM 0 HB1 ALA B 15 5.053 8.092 8.752 1.00 0.00 H new ATOM 0 HB2 ALA B 15 3.350 8.314 8.285 1.00 0.00 H new ATOM 0 HB3 ALA B 15 4.025 6.674 8.432 1.00 0.00 H new ATOM 1823 N VAL B 16 5.852 5.690 6.243 1.00 0.00 N ATOM 1824 CA VAL B 16 7.028 4.909 5.928 1.00 0.00 C ATOM 1825 C VAL B 16 7.720 5.539 4.732 1.00 0.00 C ATOM 1826 O VAL B 16 8.944 5.510 4.604 1.00 0.00 O ATOM 1827 CB VAL B 16 6.645 3.459 5.583 1.00 0.00 C ATOM 1828 CG1 VAL B 16 5.899 2.822 6.726 1.00 0.00 C ATOM 1829 CG2 VAL B 16 5.784 3.408 4.337 1.00 0.00 C ATOM 0 H VAL B 16 4.987 5.154 6.311 1.00 0.00 H new ATOM 0 HA VAL B 16 7.689 4.895 6.794 1.00 0.00 H new ATOM 0 HB VAL B 16 7.568 2.909 5.401 1.00 0.00 H new ATOM 0 HG11 VAL B 16 5.637 1.797 6.463 1.00 0.00 H new ATOM 0 HG12 VAL B 16 6.530 2.819 7.615 1.00 0.00 H new ATOM 0 HG13 VAL B 16 4.990 3.389 6.928 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.527 2.372 4.115 1.00 0.00 H new ATOM 0 HG22 VAL B 16 4.872 3.981 4.502 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.333 3.834 3.497 1.00 0.00 H new ATOM 1839 N PHE B 17 6.896 6.099 3.852 1.00 0.00 N ATOM 1840 CA PHE B 17 7.380 6.739 2.637 1.00 0.00 C ATOM 1841 C PHE B 17 7.899 8.160 2.878 1.00 0.00 C ATOM 1842 O PHE B 17 9.049 8.455 2.561 1.00 0.00 O ATOM 1843 CB PHE B 17 6.268 6.759 1.579 1.00 0.00 C ATOM 1844 CG PHE B 17 6.445 7.815 0.520 1.00 0.00 C ATOM 1845 CD1 PHE B 17 7.679 8.011 -0.081 1.00 0.00 C ATOM 1846 CD2 PHE B 17 5.381 8.614 0.135 1.00 0.00 C ATOM 1847 CE1 PHE B 17 7.847 8.985 -1.049 1.00 0.00 C ATOM 1848 CE2 PHE B 17 5.543 9.589 -0.832 1.00 0.00 C ATOM 1849 CZ PHE B 17 6.777 9.774 -1.424 1.00 0.00 C ATOM 0 H PHE B 17 5.882 6.121 3.961 1.00 0.00 H new ATOM 0 HA PHE B 17 8.225 6.149 2.281 1.00 0.00 H new ATOM 0 HB2 PHE B 17 6.221 5.782 1.098 1.00 0.00 H new ATOM 0 HB3 PHE B 17 5.311 6.916 2.076 1.00 0.00 H new ATOM 0 HD1 PHE B 17 8.518 7.397 0.210 1.00 0.00 H new ATOM 0 HD2 PHE B 17 4.414 8.474 0.595 1.00 0.00 H new ATOM 0 HE1 PHE B 17 8.813 9.128 -1.511 1.00 0.00 H new ATOM 0 HE2 PHE B 17 4.705 10.205 -1.124 1.00 0.00 H new ATOM 0 HZ PHE B 17 6.905 10.535 -2.180 1.00 0.00 H new ATOM 1859 N GLN B 18 7.044 9.047 3.400 1.00 0.00 N ATOM 1860 CA GLN B 18 7.432 10.443 3.623 1.00 0.00 C ATOM 1861 C GLN B 18 8.436 10.595 4.756 1.00 0.00 C ATOM 1862 O GLN B 18 9.233 11.534 4.760 1.00 0.00 O ATOM 1863 CB GLN B 18 6.205 11.321 3.880 1.00 0.00 C ATOM 1864 CG GLN B 18 5.119 10.634 4.675 1.00 0.00 C ATOM 1865 CD GLN B 18 5.011 11.166 6.075 1.00 0.00 C ATOM 1866 OE1 GLN B 18 5.779 10.568 6.965 1.00 0.00 O flip ATOM 1867 NE2 GLN B 18 4.253 12.096 6.354 1.00 0.00 N flip ATOM 0 H GLN B 18 6.087 8.825 3.674 1.00 0.00 H new ATOM 0 HA GLN B 18 7.921 10.778 2.708 1.00 0.00 H new ATOM 0 HB2 GLN B 18 6.518 12.220 4.411 1.00 0.00 H new ATOM 0 HB3 GLN B 18 5.794 11.643 2.923 1.00 0.00 H new ATOM 0 HG2 GLN B 18 4.164 10.762 4.166 1.00 0.00 H new ATOM 0 HG3 GLN B 18 5.320 9.563 4.711 1.00 0.00 H new ATOM 0 HE21 GLN B 18 3.680 12.523 5.626 1.00 0.00 H new ATOM 0 HE22 GLN B 18 4.198 12.439 7.313 1.00 0.00 H new ATOM 1876 N LYS B 19 8.414 9.678 5.715 1.00 0.00 N ATOM 1877 CA LYS B 19 9.348 9.745 6.831 1.00 0.00 C ATOM 1878 C LYS B 19 10.775 9.765 6.302 1.00 0.00 C ATOM 1879 O LYS B 19 11.573 10.634 6.655 1.00 0.00 O ATOM 1880 CB LYS B 19 9.153 8.556 7.774 1.00 0.00 C ATOM 1881 CG LYS B 19 9.990 8.643 9.040 1.00 0.00 C ATOM 1882 CD LYS B 19 9.558 9.810 9.915 1.00 0.00 C ATOM 1883 CE LYS B 19 10.751 10.607 10.419 1.00 0.00 C ATOM 1884 NZ LYS B 19 11.002 10.377 11.868 1.00 0.00 N ATOM 0 H LYS B 19 7.768 8.889 5.743 1.00 0.00 H new ATOM 0 HA LYS B 19 9.157 10.660 7.393 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.100 8.488 8.048 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.404 7.637 7.244 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.900 7.713 9.601 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.041 8.755 8.775 1.00 0.00 H new ATOM 0 HD2 LYS B 19 8.896 10.465 9.348 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.985 9.436 10.764 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.638 10.331 9.849 1.00 0.00 H new ATOM 0 HE3 LYS B 19 10.577 11.669 10.245 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 11.823 10.938 12.171 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 10.165 10.664 12.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 11.193 9.368 12.031 1.00 0.00 H new ATOM 1898 N TYR B 20 11.069 8.819 5.422 1.00 0.00 N ATOM 1899 CA TYR B 20 12.377 8.730 4.794 1.00 0.00 C ATOM 1900 C TYR B 20 12.469 9.746 3.665 1.00 0.00 C ATOM 1901 O TYR B 20 13.546 10.234 3.322 1.00 0.00 O ATOM 1902 CB TYR B 20 12.612 7.311 4.271 1.00 0.00 C ATOM 1903 CG TYR B 20 12.191 6.233 5.250 1.00 0.00 C ATOM 1904 CD1 TYR B 20 12.247 6.453 6.621 1.00 0.00 C ATOM 1905 CD2 TYR B 20 11.735 4.998 4.804 1.00 0.00 C ATOM 1906 CE1 TYR B 20 11.863 5.474 7.519 1.00 0.00 C ATOM 1907 CE2 TYR B 20 11.349 4.015 5.697 1.00 0.00 C ATOM 1908 CZ TYR B 20 11.415 4.259 7.052 1.00 0.00 C ATOM 1909 OH TYR B 20 11.034 3.282 7.943 1.00 0.00 O ATOM 0 H TYR B 20 10.412 8.097 5.126 1.00 0.00 H new ATOM 0 HA TYR B 20 13.150 8.954 5.529 1.00 0.00 H new ATOM 0 HB2 TYR B 20 12.063 7.180 3.339 1.00 0.00 H new ATOM 0 HB3 TYR B 20 13.670 7.188 4.038 1.00 0.00 H new ATOM 0 HD1 TYR B 20 12.597 7.405 6.992 1.00 0.00 H new ATOM 0 HD2 TYR B 20 11.681 4.803 3.743 1.00 0.00 H new ATOM 0 HE1 TYR B 20 11.914 5.662 8.581 1.00 0.00 H new ATOM 0 HE2 TYR B 20 10.997 3.060 5.334 1.00 0.00 H new ATOM 0 HH TYR B 20 10.742 2.486 7.451 1.00 0.00 H new ATOM 1919 N ALA B 21 11.308 10.044 3.090 1.00 0.00 N ATOM 1920 CA ALA B 21 11.191 10.983 1.990 1.00 0.00 C ATOM 1921 C ALA B 21 11.195 12.435 2.470 1.00 0.00 C ATOM 1922 O ALA B 21 11.064 13.360 1.668 1.00 0.00 O ATOM 1923 CB ALA B 21 9.916 10.673 1.226 1.00 0.00 C ATOM 0 H ALA B 21 10.419 9.636 3.379 1.00 0.00 H new ATOM 0 HA ALA B 21 12.058 10.871 1.338 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.812 11.370 0.394 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.961 9.654 0.842 1.00 0.00 H new ATOM 0 HB3 ALA B 21 9.059 10.772 1.892 1.00 0.00 H new ATOM 1929 N GLY B 22 11.351 12.634 3.777 1.00 0.00 N ATOM 1930 CA GLY B 22 11.373 13.978 4.323 1.00 0.00 C ATOM 1931 C GLY B 22 10.006 14.446 4.781 1.00 0.00 C ATOM 1932 O GLY B 22 8.995 14.155 4.141 1.00 0.00 O ATOM 0 H GLY B 22 11.462 11.889 4.465 1.00 0.00 H new ATOM 0 HA2 GLY B 22 12.065 14.013 5.164 1.00 0.00 H new ATOM 0 HA3 GLY B 22 11.754 14.666 3.568 1.00 0.00 H new ATOM 2006 N VAL B 28 7.859 15.072 -2.088 1.00 0.00 N ATOM 2007 CA VAL B 28 6.943 14.262 -2.895 1.00 0.00 C ATOM 2008 C VAL B 28 7.580 12.939 -3.321 1.00 0.00 C ATOM 2009 O VAL B 28 6.910 12.078 -3.893 1.00 0.00 O ATOM 2010 CB VAL B 28 6.464 15.014 -4.155 1.00 0.00 C ATOM 2011 CG1 VAL B 28 5.259 14.315 -4.764 1.00 0.00 C ATOM 2012 CG2 VAL B 28 6.137 16.463 -3.823 1.00 0.00 C ATOM 0 HA VAL B 28 6.084 14.057 -2.256 1.00 0.00 H new ATOM 0 HB VAL B 28 7.270 15.008 -4.888 1.00 0.00 H new ATOM 0 HG11 VAL B 28 4.934 14.858 -5.651 1.00 0.00 H new ATOM 0 HG12 VAL B 28 5.531 13.296 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL B 28 4.447 14.289 -4.037 1.00 0.00 H new ATOM 0 HG21 VAL B 28 5.801 16.976 -4.724 1.00 0.00 H new ATOM 0 HG22 VAL B 28 5.348 16.495 -3.072 1.00 0.00 H new ATOM 0 HG23 VAL B 28 7.028 16.957 -3.435 1.00 0.00 H new ATOM 2022 N THR B 29 8.869 12.775 -3.038 1.00 0.00 N ATOM 2023 CA THR B 29 9.581 11.554 -3.391 1.00 0.00 C ATOM 2024 C THR B 29 10.523 11.134 -2.269 1.00 0.00 C ATOM 2025 O THR B 29 10.605 11.791 -1.232 1.00 0.00 O ATOM 2026 CB THR B 29 10.360 11.742 -4.691 1.00 0.00 C ATOM 2027 OG1 THR B 29 10.956 13.027 -4.740 1.00 0.00 O ATOM 2028 CG2 THR B 29 9.501 11.582 -5.928 1.00 0.00 C ATOM 0 H THR B 29 9.441 13.474 -2.565 1.00 0.00 H new ATOM 0 HA THR B 29 8.844 10.764 -3.538 1.00 0.00 H new ATOM 0 HB THR B 29 11.118 10.959 -4.691 1.00 0.00 H new ATOM 0 HG1 THR B 29 11.314 13.187 -5.638 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.114 11.728 -6.818 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.069 10.581 -5.944 1.00 0.00 H new ATOM 0 HG23 THR B 29 8.701 12.322 -5.913 1.00 0.00 H new ATOM 2036 N LEU B 30 11.227 10.031 -2.484 1.00 0.00 N ATOM 2037 CA LEU B 30 12.162 9.512 -1.494 1.00 0.00 C ATOM 2038 C LEU B 30 13.509 9.175 -2.151 1.00 0.00 C ATOM 2039 O LEU B 30 14.115 10.033 -2.790 1.00 0.00 O ATOM 2040 CB LEU B 30 11.552 8.280 -0.803 1.00 0.00 C ATOM 2041 CG LEU B 30 12.136 7.905 0.571 1.00 0.00 C ATOM 2042 CD1 LEU B 30 12.424 6.414 0.638 1.00 0.00 C ATOM 2043 CD2 LEU B 30 13.401 8.696 0.882 1.00 0.00 C ATOM 0 H LEU B 30 11.168 9.476 -3.338 1.00 0.00 H new ATOM 0 HA LEU B 30 12.347 10.275 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.482 8.450 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.667 7.424 -1.468 1.00 0.00 H new ATOM 0 HG LEU B 30 11.389 8.160 1.323 1.00 0.00 H new ATOM 0 HD11 LEU B 30 12.836 6.167 1.616 1.00 0.00 H new ATOM 0 HD12 LEU B 30 11.500 5.858 0.483 1.00 0.00 H new ATOM 0 HD13 LEU B 30 13.143 6.147 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.782 8.403 1.860 1.00 0.00 H new ATOM 0 HD22 LEU B 30 14.155 8.490 0.122 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.172 9.762 0.887 1.00 0.00 H new ATOM 2055 N SER B 31 13.969 7.932 -2.003 1.00 0.00 N ATOM 2056 CA SER B 31 15.229 7.503 -2.592 1.00 0.00 C ATOM 2057 C SER B 31 15.418 6.003 -2.390 1.00 0.00 C ATOM 2058 O SER B 31 15.323 5.501 -1.271 1.00 0.00 O ATOM 2059 CB SER B 31 16.399 8.276 -1.982 1.00 0.00 C ATOM 2060 OG SER B 31 17.641 7.782 -2.454 1.00 0.00 O ATOM 0 H SER B 31 13.483 7.206 -1.478 1.00 0.00 H new ATOM 0 HA SER B 31 15.202 7.712 -3.661 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.308 9.334 -2.229 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.363 8.198 -0.895 1.00 0.00 H new ATOM 0 HG SER B 31 18.372 8.295 -2.050 1.00 0.00 H new ATOM 2066 N LYS B 32 15.668 5.288 -3.484 1.00 0.00 N ATOM 2067 CA LYS B 32 15.851 3.841 -3.430 1.00 0.00 C ATOM 2068 C LYS B 32 16.852 3.445 -2.349 1.00 0.00 C ATOM 2069 O LYS B 32 16.694 2.417 -1.690 1.00 0.00 O ATOM 2070 CB LYS B 32 16.318 3.317 -4.790 1.00 0.00 C ATOM 2071 CG LYS B 32 17.608 3.956 -5.279 1.00 0.00 C ATOM 2072 CD LYS B 32 18.053 3.366 -6.608 1.00 0.00 C ATOM 2073 CE LYS B 32 18.504 1.922 -6.456 1.00 0.00 C ATOM 2074 NZ LYS B 32 17.916 1.044 -7.505 1.00 0.00 N ATOM 0 H LYS B 32 15.748 5.688 -4.419 1.00 0.00 H new ATOM 0 HA LYS B 32 14.889 3.393 -3.180 1.00 0.00 H new ATOM 0 HB2 LYS B 32 16.459 2.238 -4.725 1.00 0.00 H new ATOM 0 HB3 LYS B 32 15.534 3.493 -5.526 1.00 0.00 H new ATOM 0 HG2 LYS B 32 17.465 5.031 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS B 32 18.392 3.812 -4.535 1.00 0.00 H new ATOM 0 HD2 LYS B 32 17.232 3.418 -7.323 1.00 0.00 H new ATOM 0 HD3 LYS B 32 18.869 3.962 -7.016 1.00 0.00 H new ATOM 0 HE2 LYS B 32 19.592 1.874 -6.510 1.00 0.00 H new ATOM 0 HE3 LYS B 32 18.217 1.554 -5.471 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 18.248 0.068 -7.367 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 16.878 1.070 -7.438 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 18.211 1.380 -8.444 1.00 0.00 H new ATOM 2088 N THR B 33 17.882 4.264 -2.173 1.00 0.00 N ATOM 2089 CA THR B 33 18.904 3.999 -1.178 1.00 0.00 C ATOM 2090 C THR B 33 18.383 4.278 0.233 1.00 0.00 C ATOM 2091 O THR B 33 18.627 3.504 1.154 1.00 0.00 O ATOM 2092 CB THR B 33 20.146 4.842 -1.472 1.00 0.00 C ATOM 2093 OG1 THR B 33 21.009 4.166 -2.369 1.00 0.00 O ATOM 2094 CG2 THR B 33 20.946 5.183 -0.238 1.00 0.00 C ATOM 0 H THR B 33 18.028 5.119 -2.710 1.00 0.00 H new ATOM 0 HA THR B 33 19.172 2.944 -1.229 1.00 0.00 H new ATOM 0 HB THR B 33 19.769 5.768 -1.906 1.00 0.00 H new ATOM 0 HG1 THR B 33 21.797 4.721 -2.546 1.00 0.00 H new ATOM 0 HG21 THR B 33 21.812 5.782 -0.520 1.00 0.00 H new ATOM 0 HG22 THR B 33 20.323 5.749 0.454 1.00 0.00 H new ATOM 0 HG23 THR B 33 21.281 4.264 0.244 1.00 0.00 H new ATOM 2102 N GLU B 34 17.665 5.383 0.406 1.00 0.00 N ATOM 2103 CA GLU B 34 17.127 5.723 1.719 1.00 0.00 C ATOM 2104 C GLU B 34 16.273 4.578 2.247 1.00 0.00 C ATOM 2105 O GLU B 34 16.176 4.365 3.455 1.00 0.00 O ATOM 2106 CB GLU B 34 16.303 7.008 1.655 1.00 0.00 C ATOM 2107 CG GLU B 34 16.999 8.196 2.298 1.00 0.00 C ATOM 2108 CD GLU B 34 17.097 9.391 1.369 1.00 0.00 C ATOM 2109 OE1 GLU B 34 16.124 10.171 1.301 1.00 0.00 O ATOM 2110 OE2 GLU B 34 18.146 9.545 0.710 1.00 0.00 O ATOM 0 H GLU B 34 17.444 6.050 -0.334 1.00 0.00 H new ATOM 0 HA GLU B 34 17.963 5.887 2.399 1.00 0.00 H new ATOM 0 HB2 GLU B 34 16.087 7.242 0.613 1.00 0.00 H new ATOM 0 HB3 GLU B 34 15.346 6.844 2.150 1.00 0.00 H new ATOM 0 HG2 GLU B 34 16.458 8.485 3.199 1.00 0.00 H new ATOM 0 HG3 GLU B 34 18.001 7.900 2.609 1.00 0.00 H new ATOM 2117 N PHE B 35 15.674 3.833 1.326 1.00 0.00 N ATOM 2118 CA PHE B 35 14.844 2.694 1.686 1.00 0.00 C ATOM 2119 C PHE B 35 15.722 1.542 2.170 1.00 0.00 C ATOM 2120 O PHE B 35 15.306 0.730 2.995 1.00 0.00 O ATOM 2121 CB PHE B 35 14.000 2.254 0.484 1.00 0.00 C ATOM 2122 CG PHE B 35 12.613 1.800 0.845 1.00 0.00 C ATOM 2123 CD1 PHE B 35 12.387 1.023 1.971 1.00 0.00 C ATOM 2124 CD2 PHE B 35 11.534 2.146 0.050 1.00 0.00 C ATOM 2125 CE1 PHE B 35 11.112 0.604 2.295 1.00 0.00 C ATOM 2126 CE2 PHE B 35 10.256 1.727 0.368 1.00 0.00 C ATOM 2127 CZ PHE B 35 10.046 0.955 1.493 1.00 0.00 C ATOM 0 H PHE B 35 15.749 3.999 0.322 1.00 0.00 H new ATOM 0 HA PHE B 35 14.172 2.986 2.493 1.00 0.00 H new ATOM 0 HB2 PHE B 35 13.928 3.083 -0.220 1.00 0.00 H new ATOM 0 HB3 PHE B 35 14.514 1.443 -0.031 1.00 0.00 H new ATOM 0 HD1 PHE B 35 13.218 0.742 2.602 1.00 0.00 H new ATOM 0 HD2 PHE B 35 11.693 2.751 -0.830 1.00 0.00 H new ATOM 0 HE1 PHE B 35 10.949 0.001 3.176 1.00 0.00 H new ATOM 0 HE2 PHE B 35 9.423 2.003 -0.262 1.00 0.00 H new ATOM 0 HZ PHE B 35 9.049 0.626 1.745 1.00 0.00 H new ATOM 2137 N LEU B 36 16.946 1.482 1.650 1.00 0.00 N ATOM 2138 CA LEU B 36 17.890 0.437 2.025 1.00 0.00 C ATOM 2139 C LEU B 36 18.174 0.452 3.506 1.00 0.00 C ATOM 2140 O LEU B 36 17.976 -0.538 4.210 1.00 0.00 O ATOM 2141 CB LEU B 36 19.213 0.656 1.302 1.00 0.00 C ATOM 2142 CG LEU B 36 19.378 -0.142 0.036 1.00 0.00 C ATOM 2143 CD1 LEU B 36 19.268 -1.624 0.350 1.00 0.00 C ATOM 2144 CD2 LEU B 36 18.343 0.293 -0.982 1.00 0.00 C ATOM 0 H LEU B 36 17.306 2.148 0.966 1.00 0.00 H new ATOM 0 HA LEU B 36 17.442 -0.518 1.751 1.00 0.00 H new ATOM 0 HB2 LEU B 36 19.310 1.715 1.063 1.00 0.00 H new ATOM 0 HB3 LEU B 36 20.028 0.407 1.981 1.00 0.00 H new ATOM 0 HG LEU B 36 20.364 0.039 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU B 36 19.388 -2.200 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU B 36 20.047 -1.905 1.059 1.00 0.00 H new ATOM 0 HD13 LEU B 36 18.290 -1.832 0.784 1.00 0.00 H new ATOM 0 HD21 LEU B 36 18.466 -0.287 -1.897 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.344 0.127 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU B 36 18.474 1.352 -1.204 1.00 0.00 H new ATOM 2156 N SER B 37 18.677 1.582 3.960 1.00 0.00 N ATOM 2157 CA SER B 37 19.038 1.740 5.353 1.00 0.00 C ATOM 2158 C SER B 37 17.809 1.735 6.253 1.00 0.00 C ATOM 2159 O SER B 37 17.757 1.007 7.245 1.00 0.00 O ATOM 2160 CB SER B 37 19.833 3.031 5.556 1.00 0.00 C ATOM 2161 OG SER B 37 20.261 3.160 6.900 1.00 0.00 O ATOM 0 H SER B 37 18.845 2.406 3.383 1.00 0.00 H new ATOM 0 HA SER B 37 19.661 0.890 5.630 1.00 0.00 H new ATOM 0 HB2 SER B 37 20.698 3.037 4.893 1.00 0.00 H new ATOM 0 HB3 SER B 37 19.217 3.888 5.283 1.00 0.00 H new ATOM 0 HG SER B 37 20.768 3.992 7.003 1.00 0.00 H new ATOM 2167 N PHE B 38 16.821 2.555 5.907 1.00 0.00 N ATOM 2168 CA PHE B 38 15.596 2.648 6.693 1.00 0.00 C ATOM 2169 C PHE B 38 14.908 1.289 6.803 1.00 0.00 C ATOM 2170 O PHE B 38 14.179 1.030 7.760 1.00 0.00 O ATOM 2171 CB PHE B 38 14.647 3.676 6.081 1.00 0.00 C ATOM 2172 CG PHE B 38 14.871 5.068 6.598 1.00 0.00 C ATOM 2173 CD1 PHE B 38 14.812 5.333 7.957 1.00 0.00 C ATOM 2174 CD2 PHE B 38 15.142 6.113 5.729 1.00 0.00 C ATOM 2175 CE1 PHE B 38 15.018 6.611 8.439 1.00 0.00 C ATOM 2176 CE2 PHE B 38 15.349 7.394 6.204 1.00 0.00 C ATOM 2177 CZ PHE B 38 15.286 7.644 7.562 1.00 0.00 C ATOM 0 H PHE B 38 16.845 3.164 5.089 1.00 0.00 H new ATOM 0 HA PHE B 38 15.865 2.973 7.698 1.00 0.00 H new ATOM 0 HB2 PHE B 38 14.768 3.674 4.998 1.00 0.00 H new ATOM 0 HB3 PHE B 38 13.619 3.380 6.287 1.00 0.00 H new ATOM 0 HD1 PHE B 38 14.602 4.530 8.648 1.00 0.00 H new ATOM 0 HD2 PHE B 38 15.192 5.924 4.667 1.00 0.00 H new ATOM 0 HE1 PHE B 38 14.970 6.802 9.501 1.00 0.00 H new ATOM 0 HE2 PHE B 38 15.560 8.199 5.515 1.00 0.00 H new ATOM 0 HZ PHE B 38 15.446 8.644 7.936 1.00 0.00 H new ATOM 2187 N MET B 39 15.147 0.422 5.825 1.00 0.00 N ATOM 2188 CA MET B 39 14.556 -0.909 5.828 1.00 0.00 C ATOM 2189 C MET B 39 15.310 -1.828 6.787 1.00 0.00 C ATOM 2190 O MET B 39 14.717 -2.454 7.663 1.00 0.00 O ATOM 2191 CB MET B 39 14.573 -1.500 4.414 1.00 0.00 C ATOM 2192 CG MET B 39 14.208 -2.977 4.360 1.00 0.00 C ATOM 2193 SD MET B 39 13.074 -3.368 3.014 1.00 0.00 S ATOM 2194 CE MET B 39 11.690 -2.309 3.423 1.00 0.00 C ATOM 0 H MET B 39 15.745 0.618 5.022 1.00 0.00 H new ATOM 0 HA MET B 39 13.523 -0.826 6.165 1.00 0.00 H new ATOM 0 HB2 MET B 39 13.878 -0.941 3.788 1.00 0.00 H new ATOM 0 HB3 MET B 39 15.566 -1.365 3.986 1.00 0.00 H new ATOM 0 HG2 MET B 39 15.117 -3.567 4.246 1.00 0.00 H new ATOM 0 HG3 MET B 39 13.755 -3.269 5.307 1.00 0.00 H new ATOM 0 HE1 MET B 39 10.844 -2.921 3.737 1.00 0.00 H new ATOM 0 HE2 MET B 39 11.973 -1.637 4.233 1.00 0.00 H new ATOM 0 HE3 MET B 39 11.409 -1.724 2.548 1.00 0.00 H new ATOM 2204 N ASN B 40 16.621 -1.908 6.603 1.00 0.00 N ATOM 2205 CA ASN B 40 17.470 -2.754 7.433 1.00 0.00 C ATOM 2206 C ASN B 40 17.364 -2.398 8.918 1.00 0.00 C ATOM 2207 O ASN B 40 17.729 -3.199 9.778 1.00 0.00 O ATOM 2208 CB ASN B 40 18.926 -2.638 6.974 1.00 0.00 C ATOM 2209 CG ASN B 40 19.189 -3.397 5.687 1.00 0.00 C ATOM 2210 OD1 ASN B 40 19.199 -4.628 5.672 1.00 0.00 O ATOM 2211 ND2 ASN B 40 19.406 -2.665 4.599 1.00 0.00 N ATOM 0 H ASN B 40 17.124 -1.393 5.880 1.00 0.00 H new ATOM 0 HA ASN B 40 17.124 -3.781 7.316 1.00 0.00 H new ATOM 0 HB2 ASN B 40 19.176 -1.587 6.830 1.00 0.00 H new ATOM 0 HB3 ASN B 40 19.582 -3.018 7.757 1.00 0.00 H new ATOM 0 HD21 ASN B 40 19.590 -3.121 3.706 1.00 0.00 H new ATOM 0 HD22 ASN B 40 19.388 -1.647 4.657 1.00 0.00 H new ATOM 2218 N THR B 41 16.888 -1.192 9.218 1.00 0.00 N ATOM 2219 CA THR B 41 16.770 -0.746 10.607 1.00 0.00 C ATOM 2220 C THR B 41 15.369 -0.946 11.169 1.00 0.00 C ATOM 2221 O THR B 41 15.199 -1.121 12.375 1.00 0.00 O ATOM 2222 CB THR B 41 17.135 0.733 10.721 1.00 0.00 C ATOM 2223 OG1 THR B 41 17.029 1.176 12.062 1.00 0.00 O ATOM 2224 CG2 THR B 41 16.267 1.634 9.872 1.00 0.00 C ATOM 0 H THR B 41 16.580 -0.510 8.525 1.00 0.00 H new ATOM 0 HA THR B 41 17.460 -1.358 11.188 1.00 0.00 H new ATOM 0 HB THR B 41 18.162 0.802 10.362 1.00 0.00 H new ATOM 0 HG1 THR B 41 17.268 2.125 12.113 1.00 0.00 H new ATOM 0 HG21 THR B 41 16.582 2.670 10.002 1.00 0.00 H new ATOM 0 HG22 THR B 41 16.367 1.353 8.824 1.00 0.00 H new ATOM 0 HG23 THR B 41 15.226 1.530 10.178 1.00 0.00 H new ATOM 2232 N GLU B 42 14.362 -0.872 10.309 1.00 0.00 N ATOM 2233 CA GLU B 42 12.982 -0.998 10.764 1.00 0.00 C ATOM 2234 C GLU B 42 12.221 -2.085 10.007 1.00 0.00 C ATOM 2235 O GLU B 42 11.475 -2.860 10.606 1.00 0.00 O ATOM 2236 CB GLU B 42 12.274 0.352 10.616 1.00 0.00 C ATOM 2237 CG GLU B 42 13.204 1.556 10.763 1.00 0.00 C ATOM 2238 CD GLU B 42 12.713 2.550 11.797 1.00 0.00 C ATOM 2239 OE1 GLU B 42 12.572 2.161 12.975 1.00 0.00 O ATOM 2240 OE2 GLU B 42 12.468 3.717 11.428 1.00 0.00 O ATOM 0 H GLU B 42 14.471 -0.727 9.305 1.00 0.00 H new ATOM 0 HA GLU B 42 12.999 -1.295 11.813 1.00 0.00 H new ATOM 0 HB2 GLU B 42 11.792 0.394 9.639 1.00 0.00 H new ATOM 0 HB3 GLU B 42 11.484 0.421 11.364 1.00 0.00 H new ATOM 0 HG2 GLU B 42 14.199 1.210 11.042 1.00 0.00 H new ATOM 0 HG3 GLU B 42 13.299 2.057 9.800 1.00 0.00 H new ATOM 2247 N LEU B 43 12.416 -2.146 8.696 1.00 0.00 N ATOM 2248 CA LEU B 43 11.748 -3.146 7.872 1.00 0.00 C ATOM 2249 C LEU B 43 12.711 -4.274 7.538 1.00 0.00 C ATOM 2250 O LEU B 43 12.672 -4.847 6.448 1.00 0.00 O ATOM 2251 CB LEU B 43 11.208 -2.509 6.591 1.00 0.00 C ATOM 2252 CG LEU B 43 9.728 -2.128 6.638 1.00 0.00 C ATOM 2253 CD1 LEU B 43 9.302 -1.487 5.328 1.00 0.00 C ATOM 2254 CD2 LEU B 43 8.876 -3.352 6.944 1.00 0.00 C ATOM 0 H LEU B 43 13.030 -1.516 8.181 1.00 0.00 H new ATOM 0 HA LEU B 43 10.908 -3.556 8.432 1.00 0.00 H new ATOM 0 HB2 LEU B 43 11.792 -1.615 6.373 1.00 0.00 H new ATOM 0 HB3 LEU B 43 11.364 -3.202 5.764 1.00 0.00 H new ATOM 0 HG LEU B 43 9.580 -1.400 7.436 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.246 -1.222 5.379 1.00 0.00 H new ATOM 0 HD12 LEU B 43 9.893 -0.588 5.153 1.00 0.00 H new ATOM 0 HD13 LEU B 43 9.461 -2.190 4.510 1.00 0.00 H new ATOM 0 HD21 LEU B 43 7.825 -3.065 6.974 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.025 -4.102 6.168 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.167 -3.766 7.909 1.00 0.00 H new ATOM 2266 N ALA B 44 13.580 -4.581 8.490 1.00 0.00 N ATOM 2267 CA ALA B 44 14.569 -5.630 8.322 1.00 0.00 C ATOM 2268 C ALA B 44 13.958 -7.000 8.585 1.00 0.00 C ATOM 2269 O ALA B 44 14.391 -8.003 8.017 1.00 0.00 O ATOM 2270 CB ALA B 44 15.747 -5.377 9.248 1.00 0.00 C ATOM 0 H ALA B 44 13.618 -4.112 9.395 1.00 0.00 H new ATOM 0 HA ALA B 44 14.922 -5.618 7.291 1.00 0.00 H new ATOM 0 HB1 ALA B 44 16.487 -6.167 9.119 1.00 0.00 H new ATOM 0 HB2 ALA B 44 16.198 -4.414 9.008 1.00 0.00 H new ATOM 0 HB3 ALA B 44 15.402 -5.369 10.282 1.00 0.00 H new ATOM 2276 N ALA B 45 12.941 -7.036 9.439 1.00 0.00 N ATOM 2277 CA ALA B 45 12.261 -8.283 9.768 1.00 0.00 C ATOM 2278 C ALA B 45 11.792 -8.995 8.502 1.00 0.00 C ATOM 2279 O ALA B 45 11.634 -10.215 8.486 1.00 0.00 O ATOM 2280 CB ALA B 45 11.085 -8.010 10.693 1.00 0.00 C ATOM 0 H ALA B 45 12.569 -6.215 9.916 1.00 0.00 H new ATOM 0 HA ALA B 45 12.967 -8.936 10.282 1.00 0.00 H new ATOM 0 HB1 ALA B 45 10.585 -8.948 10.932 1.00 0.00 H new ATOM 0 HB2 ALA B 45 11.445 -7.546 11.612 1.00 0.00 H new ATOM 0 HB3 ALA B 45 10.382 -7.339 10.199 1.00 0.00 H new ATOM 2286 N PHE B 46 11.576 -8.221 7.442 1.00 0.00 N ATOM 2287 CA PHE B 46 11.130 -8.772 6.168 1.00 0.00 C ATOM 2288 C PHE B 46 12.288 -8.868 5.175 1.00 0.00 C ATOM 2289 O PHE B 46 12.071 -9.006 3.971 1.00 0.00 O ATOM 2290 CB PHE B 46 10.016 -7.903 5.581 1.00 0.00 C ATOM 2291 CG PHE B 46 8.671 -8.138 6.209 1.00 0.00 C ATOM 2292 CD1 PHE B 46 8.523 -8.124 7.587 1.00 0.00 C ATOM 2293 CD2 PHE B 46 7.556 -8.373 5.420 1.00 0.00 C ATOM 2294 CE1 PHE B 46 7.286 -8.339 8.166 1.00 0.00 C ATOM 2295 CE2 PHE B 46 6.318 -8.588 5.993 1.00 0.00 C ATOM 2296 CZ PHE B 46 6.183 -8.571 7.368 1.00 0.00 C ATOM 0 H PHE B 46 11.703 -7.209 7.441 1.00 0.00 H new ATOM 0 HA PHE B 46 10.748 -9.777 6.349 1.00 0.00 H new ATOM 0 HB2 PHE B 46 10.285 -6.853 5.701 1.00 0.00 H new ATOM 0 HB3 PHE B 46 9.945 -8.093 4.510 1.00 0.00 H new ATOM 0 HD1 PHE B 46 9.383 -7.943 8.215 1.00 0.00 H new ATOM 0 HD2 PHE B 46 7.656 -8.388 4.345 1.00 0.00 H new ATOM 0 HE1 PHE B 46 7.182 -8.326 9.241 1.00 0.00 H new ATOM 0 HE2 PHE B 46 5.457 -8.769 5.367 1.00 0.00 H new ATOM 0 HZ PHE B 46 5.216 -8.739 7.818 1.00 0.00 H new ATOM 2306 N THR B 47 13.517 -8.792 5.684 1.00 0.00 N ATOM 2307 CA THR B 47 14.702 -8.870 4.836 1.00 0.00 C ATOM 2308 C THR B 47 15.978 -8.799 5.671 1.00 0.00 C ATOM 2309 O THR B 47 16.914 -8.073 5.334 1.00 0.00 O ATOM 2310 CB THR B 47 14.690 -7.742 3.802 1.00 0.00 C ATOM 2311 OG1 THR B 47 15.846 -7.799 2.984 1.00 0.00 O ATOM 2312 CG2 THR B 47 14.636 -6.362 4.421 1.00 0.00 C ATOM 0 H THR B 47 13.716 -8.677 6.678 1.00 0.00 H new ATOM 0 HA THR B 47 14.684 -9.829 4.318 1.00 0.00 H new ATOM 0 HB THR B 47 13.783 -7.897 3.218 1.00 0.00 H new ATOM 0 HG1 THR B 47 16.647 -7.740 3.545 1.00 0.00 H new ATOM 0 HG21 THR B 47 14.630 -5.610 3.632 1.00 0.00 H new ATOM 0 HG22 THR B 47 13.730 -6.267 5.020 1.00 0.00 H new ATOM 0 HG23 THR B 47 15.509 -6.214 5.057 1.00 0.00 H new ATOM 2428 N VAL B 55 12.633 -11.081 -2.355 1.00 0.00 N ATOM 2429 CA VAL B 55 11.677 -10.197 -1.697 1.00 0.00 C ATOM 2430 C VAL B 55 12.165 -8.753 -1.705 1.00 0.00 C ATOM 2431 O VAL B 55 11.501 -7.866 -2.242 1.00 0.00 O ATOM 2432 CB VAL B 55 11.419 -10.637 -0.241 1.00 0.00 C ATOM 2433 CG1 VAL B 55 10.394 -9.730 0.424 1.00 0.00 C ATOM 2434 CG2 VAL B 55 10.968 -12.089 -0.196 1.00 0.00 C ATOM 0 HA VAL B 55 10.745 -10.262 -2.259 1.00 0.00 H new ATOM 0 HB VAL B 55 12.353 -10.552 0.314 1.00 0.00 H new ATOM 0 HG11 VAL B 55 10.228 -10.059 1.450 1.00 0.00 H new ATOM 0 HG12 VAL B 55 10.763 -8.705 0.427 1.00 0.00 H new ATOM 0 HG13 VAL B 55 9.455 -9.776 -0.128 1.00 0.00 H new ATOM 0 HG21 VAL B 55 10.790 -12.383 0.838 1.00 0.00 H new ATOM 0 HG22 VAL B 55 10.047 -12.202 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL B 55 11.743 -12.724 -0.626 1.00 0.00 H new ATOM 2444 N LEU B 56 13.327 -8.523 -1.105 1.00 0.00 N ATOM 2445 CA LEU B 56 13.904 -7.190 -1.039 1.00 0.00 C ATOM 2446 C LEU B 56 14.275 -6.695 -2.436 1.00 0.00 C ATOM 2447 O LEU B 56 13.901 -5.594 -2.838 1.00 0.00 O ATOM 2448 CB LEU B 56 15.130 -7.221 -0.124 1.00 0.00 C ATOM 2449 CG LEU B 56 16.153 -6.104 -0.324 1.00 0.00 C ATOM 2450 CD1 LEU B 56 15.645 -4.800 0.270 1.00 0.00 C ATOM 2451 CD2 LEU B 56 17.476 -6.505 0.304 1.00 0.00 C ATOM 0 H LEU B 56 13.888 -9.247 -0.656 1.00 0.00 H new ATOM 0 HA LEU B 56 13.171 -6.495 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU B 56 14.786 -7.189 0.910 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.636 -8.177 -0.262 1.00 0.00 H new ATOM 0 HG LEU B 56 16.304 -5.947 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU B 56 16.388 -4.017 0.117 1.00 0.00 H new ATOM 0 HD12 LEU B 56 14.713 -4.516 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU B 56 15.470 -4.931 1.338 1.00 0.00 H new ATOM 0 HD21 LEU B 56 18.204 -5.707 0.160 1.00 0.00 H new ATOM 0 HD22 LEU B 56 17.335 -6.679 1.371 1.00 0.00 H new ATOM 0 HD23 LEU B 56 17.841 -7.418 -0.167 1.00 0.00 H new ATOM 2463 N ASP B 57 15.012 -7.522 -3.166 1.00 0.00 N ATOM 2464 CA ASP B 57 15.439 -7.186 -4.518 1.00 0.00 C ATOM 2465 C ASP B 57 14.241 -6.875 -5.410 1.00 0.00 C ATOM 2466 O ASP B 57 14.357 -6.131 -6.383 1.00 0.00 O ATOM 2467 CB ASP B 57 16.251 -8.335 -5.115 1.00 0.00 C ATOM 2468 CG ASP B 57 17.193 -7.870 -6.208 1.00 0.00 C ATOM 2469 OD1 ASP B 57 16.734 -7.709 -7.359 1.00 0.00 O ATOM 2470 OD2 ASP B 57 18.389 -7.665 -5.913 1.00 0.00 O ATOM 0 H ASP B 57 15.328 -8.436 -2.842 1.00 0.00 H new ATOM 0 HA ASP B 57 16.065 -6.295 -4.464 1.00 0.00 H new ATOM 0 HB2 ASP B 57 16.826 -8.819 -4.325 1.00 0.00 H new ATOM 0 HB3 ASP B 57 15.571 -9.085 -5.520 1.00 0.00 H new ATOM 2475 N ARG B 58 13.089 -7.452 -5.075 1.00 0.00 N ATOM 2476 CA ARG B 58 11.874 -7.234 -5.852 1.00 0.00 C ATOM 2477 C ARG B 58 11.523 -5.752 -5.904 1.00 0.00 C ATOM 2478 O ARG B 58 11.271 -5.200 -6.975 1.00 0.00 O ATOM 2479 CB ARG B 58 10.706 -8.016 -5.245 1.00 0.00 C ATOM 2480 CG ARG B 58 9.926 -8.835 -6.264 1.00 0.00 C ATOM 2481 CD ARG B 58 8.424 -8.640 -6.110 1.00 0.00 C ATOM 2482 NE ARG B 58 7.807 -8.151 -7.342 1.00 0.00 N ATOM 2483 CZ ARG B 58 6.632 -7.529 -7.388 1.00 0.00 C ATOM 2484 NH1 ARG B 58 5.941 -7.316 -6.274 1.00 0.00 N ATOM 2485 NH2 ARG B 58 6.145 -7.118 -8.550 1.00 0.00 N ATOM 0 H ARG B 58 12.973 -8.072 -4.273 1.00 0.00 H new ATOM 0 HA ARG B 58 12.056 -7.588 -6.867 1.00 0.00 H new ATOM 0 HB2 ARG B 58 11.089 -8.682 -4.472 1.00 0.00 H new ATOM 0 HB3 ARG B 58 10.027 -7.317 -4.756 1.00 0.00 H new ATOM 0 HG2 ARG B 58 10.229 -8.548 -7.271 1.00 0.00 H new ATOM 0 HG3 ARG B 58 10.170 -9.891 -6.146 1.00 0.00 H new ATOM 0 HD2 ARG B 58 7.963 -9.585 -5.824 1.00 0.00 H new ATOM 0 HD3 ARG B 58 8.231 -7.934 -5.302 1.00 0.00 H new ATOM 0 HE ARG B 58 8.308 -8.295 -8.219 1.00 0.00 H new ATOM 0 HH11 ARG B 58 6.311 -7.630 -5.377 1.00 0.00 H new ATOM 0 HH12 ARG B 58 5.041 -6.838 -6.316 1.00 0.00 H new ATOM 0 HH21 ARG B 58 6.671 -7.279 -9.409 1.00 0.00 H new ATOM 0 HH22 ARG B 58 5.244 -6.641 -8.585 1.00 0.00 H new ATOM 2498 N MET B 59 11.503 -5.115 -4.739 1.00 0.00 N ATOM 2499 CA MET B 59 11.177 -3.696 -4.655 1.00 0.00 C ATOM 2500 C MET B 59 12.106 -2.867 -5.534 1.00 0.00 C ATOM 2501 O MET B 59 11.655 -2.077 -6.360 1.00 0.00 O ATOM 2502 CB MET B 59 11.253 -3.222 -3.194 1.00 0.00 C ATOM 2503 CG MET B 59 12.592 -2.611 -2.778 1.00 0.00 C ATOM 2504 SD MET B 59 12.546 -1.882 -1.130 1.00 0.00 S ATOM 2505 CE MET B 59 11.404 -2.994 -0.328 1.00 0.00 C ATOM 0 H MET B 59 11.708 -5.556 -3.843 1.00 0.00 H new ATOM 0 HA MET B 59 10.159 -3.557 -5.019 1.00 0.00 H new ATOM 0 HB2 MET B 59 10.468 -2.485 -3.026 1.00 0.00 H new ATOM 0 HB3 MET B 59 11.040 -4.069 -2.542 1.00 0.00 H new ATOM 0 HG2 MET B 59 13.363 -3.381 -2.808 1.00 0.00 H new ATOM 0 HG3 MET B 59 12.877 -1.846 -3.501 1.00 0.00 H new ATOM 0 HE1 MET B 59 11.193 -2.635 0.679 1.00 0.00 H new ATOM 0 HE2 MET B 59 10.477 -3.038 -0.900 1.00 0.00 H new ATOM 0 HE3 MET B 59 11.844 -3.990 -0.273 1.00 0.00 H new ATOM 2515 N MET B 60 13.403 -3.047 -5.334 1.00 0.00 N ATOM 2516 CA MET B 60 14.409 -2.308 -6.088 1.00 0.00 C ATOM 2517 C MET B 60 14.365 -2.643 -7.572 1.00 0.00 C ATOM 2518 O MET B 60 14.809 -1.855 -8.406 1.00 0.00 O ATOM 2519 CB MET B 60 15.796 -2.583 -5.516 1.00 0.00 C ATOM 2520 CG MET B 60 15.897 -2.252 -4.037 1.00 0.00 C ATOM 2521 SD MET B 60 16.376 -0.540 -3.744 1.00 0.00 S ATOM 2522 CE MET B 60 14.865 0.305 -4.203 1.00 0.00 C ATOM 0 H MET B 60 13.787 -3.702 -4.652 1.00 0.00 H new ATOM 0 HA MET B 60 14.186 -1.246 -5.991 1.00 0.00 H new ATOM 0 HB2 MET B 60 16.045 -3.633 -5.667 1.00 0.00 H new ATOM 0 HB3 MET B 60 16.534 -1.999 -6.066 1.00 0.00 H new ATOM 0 HG2 MET B 60 14.937 -2.444 -3.559 1.00 0.00 H new ATOM 0 HG3 MET B 60 16.625 -2.915 -3.569 1.00 0.00 H new ATOM 0 HE1 MET B 60 14.660 1.099 -3.485 1.00 0.00 H new ATOM 0 HE2 MET B 60 14.977 0.735 -5.198 1.00 0.00 H new ATOM 0 HE3 MET B 60 14.038 -0.404 -4.205 1.00 0.00 H new ATOM 2670 N GLN B 70 13.357 10.361 -8.723 1.00 0.00 N ATOM 2671 CA GLN B 70 13.458 9.866 -7.354 1.00 0.00 C ATOM 2672 C GLN B 70 12.398 8.802 -7.081 1.00 0.00 C ATOM 2673 O GLN B 70 11.752 8.311 -8.007 1.00 0.00 O ATOM 2674 CB GLN B 70 13.313 11.024 -6.362 1.00 0.00 C ATOM 2675 CG GLN B 70 14.619 11.753 -6.088 1.00 0.00 C ATOM 2676 CD GLN B 70 15.382 11.173 -4.913 1.00 0.00 C ATOM 2677 OE1 GLN B 70 15.529 9.852 -4.891 1.00 0.00 O flip ATOM 2678 NE2 GLN B 70 15.839 11.904 -4.032 1.00 0.00 N flip ATOM 0 HA GLN B 70 14.440 9.410 -7.226 1.00 0.00 H new ATOM 0 HB2 GLN B 70 12.583 11.735 -6.749 1.00 0.00 H new ATOM 0 HB3 GLN B 70 12.916 10.640 -5.422 1.00 0.00 H new ATOM 0 HG2 GLN B 70 15.246 11.712 -6.978 1.00 0.00 H new ATOM 0 HG3 GLN B 70 14.409 12.805 -5.895 1.00 0.00 H new ATOM 0 HE21 GLN B 70 15.704 12.914 -4.086 1.00 0.00 H new ATOM 0 HE22 GLN B 70 16.352 11.499 -3.249 1.00 0.00 H new ATOM 2687 N LEU B 71 12.218 8.454 -5.808 1.00 0.00 N ATOM 2688 CA LEU B 71 11.231 7.461 -5.423 1.00 0.00 C ATOM 2689 C LEU B 71 9.828 7.975 -5.782 1.00 0.00 C ATOM 2690 O LEU B 71 9.640 8.506 -6.876 1.00 0.00 O ATOM 2691 CB LEU B 71 11.388 7.142 -3.923 1.00 0.00 C ATOM 2692 CG LEU B 71 12.075 5.808 -3.584 1.00 0.00 C ATOM 2693 CD1 LEU B 71 11.041 4.714 -3.371 1.00 0.00 C ATOM 2694 CD2 LEU B 71 13.072 5.403 -4.663 1.00 0.00 C ATOM 0 H LEU B 71 12.746 8.848 -5.029 1.00 0.00 H new ATOM 0 HA LEU B 71 11.382 6.529 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU B 71 11.956 7.948 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.398 7.144 -3.466 1.00 0.00 H new ATOM 0 HG LEU B 71 12.631 5.947 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU B 71 11.546 3.778 -3.132 1.00 0.00 H new ATOM 0 HD12 LEU B 71 10.382 4.991 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU B 71 10.453 4.587 -4.280 1.00 0.00 H new ATOM 0 HD21 LEU B 71 13.538 4.456 -4.391 1.00 0.00 H new ATOM 0 HD22 LEU B 71 12.553 5.291 -5.615 1.00 0.00 H new ATOM 0 HD23 LEU B 71 13.839 6.172 -4.757 1.00 0.00 H new ATOM 2706 N ASP B 72 8.845 7.838 -4.890 1.00 0.00 N ATOM 2707 CA ASP B 72 7.490 8.319 -5.187 1.00 0.00 C ATOM 2708 C ASP B 72 6.495 7.907 -4.108 1.00 0.00 C ATOM 2709 O ASP B 72 6.878 7.437 -3.038 1.00 0.00 O ATOM 2710 CB ASP B 72 7.012 7.796 -6.547 1.00 0.00 C ATOM 2711 CG ASP B 72 6.295 8.860 -7.357 1.00 0.00 C ATOM 2712 OD1 ASP B 72 6.875 9.949 -7.552 1.00 0.00 O ATOM 2713 OD2 ASP B 72 5.154 8.603 -7.796 1.00 0.00 O ATOM 0 H ASP B 72 8.955 7.407 -3.972 1.00 0.00 H new ATOM 0 HA ASP B 72 7.538 9.408 -5.214 1.00 0.00 H new ATOM 0 HB2 ASP B 72 7.868 7.428 -7.113 1.00 0.00 H new ATOM 0 HB3 ASP B 72 6.344 6.949 -6.393 1.00 0.00 H new ATOM 2718 N PHE B 73 5.208 8.092 -4.404 1.00 0.00 N ATOM 2719 CA PHE B 73 4.150 7.749 -3.464 1.00 0.00 C ATOM 2720 C PHE B 73 3.912 6.240 -3.412 1.00 0.00 C ATOM 2721 O PHE B 73 4.078 5.624 -2.357 1.00 0.00 O ATOM 2722 CB PHE B 73 2.858 8.492 -3.813 1.00 0.00 C ATOM 2723 CG PHE B 73 2.191 8.021 -5.074 1.00 0.00 C ATOM 2724 CD1 PHE B 73 2.645 8.440 -6.315 1.00 0.00 C ATOM 2725 CD2 PHE B 73 1.110 7.157 -5.017 1.00 0.00 C ATOM 2726 CE1 PHE B 73 2.032 8.007 -7.475 1.00 0.00 C ATOM 2727 CE2 PHE B 73 0.492 6.720 -6.173 1.00 0.00 C ATOM 2728 CZ PHE B 73 0.955 7.145 -7.404 1.00 0.00 C ATOM 0 H PHE B 73 4.877 8.478 -5.288 1.00 0.00 H new ATOM 0 HA PHE B 73 4.473 8.064 -2.472 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.157 8.386 -2.985 1.00 0.00 H new ATOM 0 HB3 PHE B 73 3.079 9.555 -3.909 1.00 0.00 H new ATOM 0 HD1 PHE B 73 3.488 9.113 -6.376 1.00 0.00 H new ATOM 0 HD2 PHE B 73 0.746 6.821 -4.057 1.00 0.00 H new ATOM 0 HE1 PHE B 73 2.394 8.342 -8.436 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -0.351 6.048 -6.115 1.00 0.00 H new ATOM 0 HZ PHE B 73 0.475 6.804 -8.309 1.00 0.00 H new ATOM 2738 N GLN B 74 3.536 5.633 -4.539 1.00 0.00 N ATOM 2739 CA GLN B 74 3.306 4.197 -4.554 1.00 0.00 C ATOM 2740 C GLN B 74 4.620 3.452 -4.663 1.00 0.00 C ATOM 2741 O GLN B 74 4.724 2.317 -4.217 1.00 0.00 O ATOM 2742 CB GLN B 74 2.368 3.764 -5.681 1.00 0.00 C ATOM 2743 CG GLN B 74 1.492 2.576 -5.291 1.00 0.00 C ATOM 2744 CD GLN B 74 1.896 1.282 -5.979 1.00 0.00 C ATOM 2745 OE1 GLN B 74 2.353 0.294 -5.202 1.00 0.00 O flip ATOM 2746 NE2 GLN B 74 1.797 1.165 -7.201 1.00 0.00 N flip ATOM 0 H GLN B 74 3.388 6.104 -5.431 1.00 0.00 H new ATOM 0 HA GLN B 74 2.819 3.947 -3.611 1.00 0.00 H new ATOM 0 HB2 GLN B 74 1.732 4.603 -5.962 1.00 0.00 H new ATOM 0 HB3 GLN B 74 2.958 3.503 -6.560 1.00 0.00 H new ATOM 0 HG2 GLN B 74 1.541 2.436 -4.211 1.00 0.00 H new ATOM 0 HG3 GLN B 74 0.454 2.802 -5.537 1.00 0.00 H new ATOM 0 HE21 GLN B 74 1.444 1.941 -7.761 1.00 0.00 H new ATOM 0 HE22 GLN B 74 2.068 0.292 -7.653 1.00 0.00 H new ATOM 2755 N GLU B 75 5.640 4.098 -5.235 1.00 0.00 N ATOM 2756 CA GLU B 75 6.948 3.466 -5.355 1.00 0.00 C ATOM 2757 C GLU B 75 7.315 2.828 -4.023 1.00 0.00 C ATOM 2758 O GLU B 75 7.973 1.791 -3.973 1.00 0.00 O ATOM 2759 CB GLU B 75 8.014 4.483 -5.771 1.00 0.00 C ATOM 2760 CG GLU B 75 8.634 4.185 -7.127 1.00 0.00 C ATOM 2761 CD GLU B 75 8.971 5.441 -7.906 1.00 0.00 C ATOM 2762 OE1 GLU B 75 10.076 5.988 -7.702 1.00 0.00 O ATOM 2763 OE2 GLU B 75 8.131 5.878 -8.720 1.00 0.00 O ATOM 0 H GLU B 75 5.584 5.043 -5.615 1.00 0.00 H new ATOM 0 HA GLU B 75 6.903 2.700 -6.129 1.00 0.00 H new ATOM 0 HB2 GLU B 75 7.568 5.477 -5.794 1.00 0.00 H new ATOM 0 HB3 GLU B 75 8.800 4.504 -5.016 1.00 0.00 H new ATOM 0 HG2 GLU B 75 9.540 3.596 -6.986 1.00 0.00 H new ATOM 0 HG3 GLU B 75 7.945 3.575 -7.711 1.00 0.00 H new ATOM 2770 N PHE B 76 6.842 3.452 -2.945 1.00 0.00 N ATOM 2771 CA PHE B 76 7.070 2.950 -1.604 1.00 0.00 C ATOM 2772 C PHE B 76 6.089 1.828 -1.300 1.00 0.00 C ATOM 2773 O PHE B 76 6.487 0.722 -0.939 1.00 0.00 O ATOM 2774 CB PHE B 76 6.908 4.065 -0.576 1.00 0.00 C ATOM 2775 CG PHE B 76 7.820 3.904 0.603 1.00 0.00 C ATOM 2776 CD1 PHE B 76 7.450 3.109 1.673 1.00 0.00 C ATOM 2777 CD2 PHE B 76 9.050 4.538 0.634 1.00 0.00 C ATOM 2778 CE1 PHE B 76 8.291 2.949 2.756 1.00 0.00 C ATOM 2779 CE2 PHE B 76 9.895 4.382 1.716 1.00 0.00 C ATOM 2780 CZ PHE B 76 9.514 3.586 2.778 1.00 0.00 C ATOM 0 H PHE B 76 6.295 4.312 -2.983 1.00 0.00 H new ATOM 0 HA PHE B 76 8.090 2.569 -1.547 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.105 5.025 -1.054 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.875 4.087 -0.230 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.493 2.608 1.661 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.352 5.160 -0.195 1.00 0.00 H new ATOM 0 HE1 PHE B 76 7.991 2.325 3.585 1.00 0.00 H new ATOM 0 HE2 PHE B 76 10.852 4.882 1.731 1.00 0.00 H new ATOM 0 HZ PHE B 76 10.173 3.462 3.625 1.00 0.00 H new ATOM 2790 N LEU B 77 4.800 2.118 -1.466 1.00 0.00 N ATOM 2791 CA LEU B 77 3.763 1.125 -1.227 1.00 0.00 C ATOM 2792 C LEU B 77 4.028 -0.109 -2.080 1.00 0.00 C ATOM 2793 O LEU B 77 3.770 -1.234 -1.663 1.00 0.00 O ATOM 2794 CB LEU B 77 2.381 1.709 -1.524 1.00 0.00 C ATOM 2795 CG LEU B 77 1.668 2.289 -0.301 1.00 0.00 C ATOM 2796 CD1 LEU B 77 0.499 3.168 -0.718 1.00 0.00 C ATOM 2797 CD2 LEU B 77 1.207 1.170 0.618 1.00 0.00 C ATOM 0 H LEU B 77 4.453 3.030 -1.764 1.00 0.00 H new ATOM 0 HA LEU B 77 3.783 0.834 -0.177 1.00 0.00 H new ATOM 0 HB2 LEU B 77 2.484 2.492 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU B 77 1.756 0.929 -1.959 1.00 0.00 H new ATOM 0 HG LEU B 77 2.374 2.915 0.245 1.00 0.00 H new ATOM 0 HD11 LEU B 77 0.009 3.568 0.170 1.00 0.00 H new ATOM 0 HD12 LEU B 77 0.864 3.991 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -0.215 2.576 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.701 1.596 1.484 1.00 0.00 H new ATOM 0 HD22 LEU B 77 0.519 0.518 0.080 1.00 0.00 H new ATOM 0 HD23 LEU B 77 2.070 0.592 0.949 1.00 0.00 H new ATOM 2809 N ASN B 78 4.583 0.118 -3.264 1.00 0.00 N ATOM 2810 CA ASN B 78 4.935 -0.964 -4.169 1.00 0.00 C ATOM 2811 C ASN B 78 6.202 -1.631 -3.652 1.00 0.00 C ATOM 2812 O ASN B 78 6.356 -2.850 -3.722 1.00 0.00 O ATOM 2813 CB ASN B 78 5.147 -0.428 -5.596 1.00 0.00 C ATOM 2814 CG ASN B 78 6.327 -1.065 -6.311 1.00 0.00 C ATOM 2815 OD1 ASN B 78 6.345 -2.272 -6.553 1.00 0.00 O ATOM 2816 ND2 ASN B 78 7.320 -0.252 -6.650 1.00 0.00 N ATOM 0 H ASN B 78 4.799 1.049 -3.620 1.00 0.00 H new ATOM 0 HA ASN B 78 4.125 -1.692 -4.208 1.00 0.00 H new ATOM 0 HB2 ASN B 78 4.242 -0.600 -6.179 1.00 0.00 H new ATOM 0 HB3 ASN B 78 5.297 0.651 -5.552 1.00 0.00 H new ATOM 0 HD21 ASN B 78 8.140 -0.622 -7.131 1.00 0.00 H new ATOM 0 HD22 ASN B 78 7.263 0.742 -6.430 1.00 0.00 H new ATOM 2823 N LEU B 79 7.103 -0.808 -3.119 1.00 0.00 N ATOM 2824 CA LEU B 79 8.353 -1.298 -2.575 1.00 0.00 C ATOM 2825 C LEU B 79 8.088 -2.158 -1.346 1.00 0.00 C ATOM 2826 O LEU B 79 8.446 -3.331 -1.314 1.00 0.00 O ATOM 2827 CB LEU B 79 9.260 -0.117 -2.208 1.00 0.00 C ATOM 2828 CG LEU B 79 10.459 0.116 -3.134 1.00 0.00 C ATOM 2829 CD1 LEU B 79 10.058 0.049 -4.598 1.00 0.00 C ATOM 2830 CD2 LEU B 79 11.116 1.451 -2.826 1.00 0.00 C ATOM 0 H LEU B 79 6.983 0.203 -3.056 1.00 0.00 H new ATOM 0 HA LEU B 79 8.853 -1.908 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.655 0.790 -2.192 1.00 0.00 H new ATOM 0 HB3 LEU B 79 9.632 -0.270 -1.195 1.00 0.00 H new ATOM 0 HG LEU B 79 11.177 -0.683 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU B 79 10.934 0.219 -5.223 1.00 0.00 H new ATOM 0 HD12 LEU B 79 9.641 -0.934 -4.817 1.00 0.00 H new ATOM 0 HD13 LEU B 79 9.310 0.814 -4.806 1.00 0.00 H new ATOM 0 HD21 LEU B 79 11.965 1.601 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU B 79 10.394 2.254 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU B 79 11.461 1.457 -1.792 1.00 0.00 H new ATOM 2842 N ILE B 80 7.432 -1.571 -0.344 1.00 0.00 N ATOM 2843 CA ILE B 80 7.101 -2.294 0.875 1.00 0.00 C ATOM 2844 C ILE B 80 5.958 -3.267 0.625 1.00 0.00 C ATOM 2845 O ILE B 80 6.017 -4.425 1.039 1.00 0.00 O ATOM 2846 CB ILE B 80 6.752 -1.349 2.044 1.00 0.00 C ATOM 2847 CG1 ILE B 80 6.903 -2.091 3.370 1.00 0.00 C ATOM 2848 CG2 ILE B 80 5.345 -0.806 1.911 1.00 0.00 C ATOM 2849 CD1 ILE B 80 5.673 -2.882 3.758 1.00 0.00 C ATOM 0 H ILE B 80 7.122 -0.599 -0.356 1.00 0.00 H new ATOM 0 HA ILE B 80 7.991 -2.852 1.165 1.00 0.00 H new ATOM 0 HB ILE B 80 7.441 -0.505 2.018 1.00 0.00 H new ATOM 0 HG12 ILE B 80 7.755 -2.767 3.305 1.00 0.00 H new ATOM 0 HG13 ILE B 80 7.127 -1.371 4.157 1.00 0.00 H new ATOM 0 HG21 ILE B 80 5.130 -0.144 2.750 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.256 -0.250 0.978 1.00 0.00 H new ATOM 0 HG23 ILE B 80 4.635 -1.633 1.910 1.00 0.00 H new ATOM 0 HD11 ILE B 80 5.848 -3.384 4.709 1.00 0.00 H new ATOM 0 HD12 ILE B 80 4.822 -2.207 3.855 1.00 0.00 H new ATOM 0 HD13 ILE B 80 5.461 -3.625 2.989 1.00 0.00 H new ATOM 2861 N GLY B 81 4.925 -2.803 -0.078 1.00 0.00 N ATOM 2862 CA GLY B 81 3.806 -3.672 -0.390 1.00 0.00 C ATOM 2863 C GLY B 81 4.295 -4.941 -1.043 1.00 0.00 C ATOM 2864 O GLY B 81 3.943 -6.044 -0.624 1.00 0.00 O ATOM 0 H GLY B 81 4.845 -1.850 -0.433 1.00 0.00 H new ATOM 0 HA2 GLY B 81 3.258 -3.912 0.521 1.00 0.00 H new ATOM 0 HA3 GLY B 81 3.111 -3.158 -1.054 1.00 0.00 H new ATOM 2868 N GLY B 82 5.143 -4.780 -2.056 1.00 0.00 N ATOM 2869 CA GLY B 82 5.710 -5.935 -2.730 1.00 0.00 C ATOM 2870 C GLY B 82 6.325 -6.909 -1.740 1.00 0.00 C ATOM 2871 O GLY B 82 6.119 -8.118 -1.843 1.00 0.00 O ATOM 0 H GLY B 82 5.446 -3.877 -2.420 1.00 0.00 H new ATOM 0 HA2 GLY B 82 4.934 -6.440 -3.305 1.00 0.00 H new ATOM 0 HA3 GLY B 82 6.470 -5.607 -3.440 1.00 0.00 H new ATOM 2875 N LEU B 83 7.066 -6.385 -0.758 1.00 0.00 N ATOM 2876 CA LEU B 83 7.675 -7.239 0.260 1.00 0.00 C ATOM 2877 C LEU B 83 6.603 -8.062 0.959 1.00 0.00 C ATOM 2878 O LEU B 83 6.765 -9.264 1.167 1.00 0.00 O ATOM 2879 CB LEU B 83 8.434 -6.409 1.295 1.00 0.00 C ATOM 2880 CG LEU B 83 9.181 -5.203 0.737 1.00 0.00 C ATOM 2881 CD1 LEU B 83 10.012 -4.539 1.823 1.00 0.00 C ATOM 2882 CD2 LEU B 83 10.054 -5.617 -0.438 1.00 0.00 C ATOM 0 H LEU B 83 7.255 -5.389 -0.649 1.00 0.00 H new ATOM 0 HA LEU B 83 8.382 -7.903 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU B 83 7.727 -6.062 2.048 1.00 0.00 H new ATOM 0 HB3 LEU B 83 9.149 -7.056 1.803 1.00 0.00 H new ATOM 0 HG LEU B 83 8.450 -4.477 0.380 1.00 0.00 H new ATOM 0 HD11 LEU B 83 10.538 -3.680 1.405 1.00 0.00 H new ATOM 0 HD12 LEU B 83 9.358 -4.207 2.630 1.00 0.00 H new ATOM 0 HD13 LEU B 83 10.737 -5.253 2.214 1.00 0.00 H new ATOM 0 HD21 LEU B 83 10.581 -4.745 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU B 83 10.779 -6.362 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU B 83 9.429 -6.042 -1.224 1.00 0.00 H new ATOM 2894 N ALA B 84 5.498 -7.406 1.314 1.00 0.00 N ATOM 2895 CA ALA B 84 4.397 -8.089 1.982 1.00 0.00 C ATOM 2896 C ALA B 84 3.922 -9.276 1.166 1.00 0.00 C ATOM 2897 O ALA B 84 3.633 -10.341 1.702 1.00 0.00 O ATOM 2898 CB ALA B 84 3.229 -7.147 2.187 1.00 0.00 C ATOM 0 H ALA B 84 5.345 -6.411 1.151 1.00 0.00 H new ATOM 0 HA ALA B 84 4.766 -8.434 2.948 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.418 -7.676 2.687 1.00 0.00 H new ATOM 0 HB2 ALA B 84 3.545 -6.304 2.801 1.00 0.00 H new ATOM 0 HB3 ALA B 84 2.882 -6.782 1.220 1.00 0.00 H new ATOM 2904 N VAL B 85 3.839 -9.076 -0.136 1.00 0.00 N ATOM 2905 CA VAL B 85 3.386 -10.126 -1.036 1.00 0.00 C ATOM 2906 C VAL B 85 4.447 -11.191 -1.213 1.00 0.00 C ATOM 2907 O VAL B 85 4.170 -12.296 -1.679 1.00 0.00 O ATOM 2908 CB VAL B 85 2.959 -9.592 -2.424 1.00 0.00 C ATOM 2909 CG1 VAL B 85 1.528 -10.002 -2.698 1.00 0.00 C ATOM 2910 CG2 VAL B 85 3.090 -8.078 -2.529 1.00 0.00 C ATOM 0 H VAL B 85 4.079 -8.198 -0.596 1.00 0.00 H new ATOM 0 HA VAL B 85 2.505 -10.560 -0.563 1.00 0.00 H new ATOM 0 HB VAL B 85 3.629 -10.026 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL B 85 1.223 -9.628 -3.675 1.00 0.00 H new ATOM 0 HG12 VAL B 85 1.452 -11.089 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL B 85 0.877 -9.585 -1.930 1.00 0.00 H new ATOM 0 HG21 VAL B 85 2.778 -7.754 -3.522 1.00 0.00 H new ATOM 0 HG22 VAL B 85 2.458 -7.605 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL B 85 4.128 -7.790 -2.363 1.00 0.00 H new ATOM 2920 N ALA B 86 5.662 -10.844 -0.853 1.00 0.00 N ATOM 2921 CA ALA B 86 6.778 -11.748 -0.977 1.00 0.00 C ATOM 2922 C ALA B 86 7.256 -12.237 0.385 1.00 0.00 C ATOM 2923 O ALA B 86 8.365 -12.757 0.512 1.00 0.00 O ATOM 2924 CB ALA B 86 7.879 -11.025 -1.703 1.00 0.00 C ATOM 0 H ALA B 86 5.902 -9.930 -0.468 1.00 0.00 H new ATOM 0 HA ALA B 86 6.473 -12.633 -1.536 1.00 0.00 H new ATOM 0 HB1 ALA B 86 8.739 -11.686 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA B 86 7.527 -10.722 -2.689 1.00 0.00 H new ATOM 0 HB3 ALA B 86 8.170 -10.141 -1.135 1.00 0.00 H new ATOM 2930 N CYS B 87 6.421 -12.061 1.403 1.00 0.00 N ATOM 2931 CA CYS B 87 6.781 -12.484 2.751 1.00 0.00 C ATOM 2932 C CYS B 87 5.554 -12.688 3.641 1.00 0.00 C ATOM 2933 O CYS B 87 5.550 -13.577 4.492 1.00 0.00 O ATOM 2934 CB CYS B 87 7.719 -11.459 3.389 1.00 0.00 C ATOM 2935 SG CYS B 87 8.306 -11.921 5.036 1.00 0.00 S ATOM 0 H CYS B 87 5.499 -11.633 1.322 1.00 0.00 H new ATOM 0 HA CYS B 87 7.287 -13.445 2.664 1.00 0.00 H new ATOM 0 HB2 CYS B 87 8.579 -11.314 2.736 1.00 0.00 H new ATOM 0 HB3 CYS B 87 7.203 -10.501 3.454 1.00 0.00 H new ATOM 0 HG CYS B 87 8.279 -10.880 5.814 1.00 0.00 H new ATOM 2941 N HIS B 88 4.523 -11.857 3.471 1.00 0.00 N ATOM 2942 CA HIS B 88 3.327 -11.978 4.309 1.00 0.00 C ATOM 2943 C HIS B 88 2.059 -12.298 3.512 1.00 0.00 C ATOM 2944 O HIS B 88 1.488 -13.377 3.663 1.00 0.00 O ATOM 2945 CB HIS B 88 3.116 -10.698 5.117 1.00 0.00 C ATOM 2946 CG HIS B 88 3.674 -10.768 6.504 1.00 0.00 C ATOM 2947 ND1 HIS B 88 4.836 -11.442 6.814 1.00 0.00 N ATOM 2948 CD2 HIS B 88 3.221 -10.247 7.670 1.00 0.00 C ATOM 2949 CE1 HIS B 88 5.072 -11.335 8.109 1.00 0.00 C ATOM 2950 NE2 HIS B 88 4.109 -10.614 8.651 1.00 0.00 N ATOM 0 H HIS B 88 4.490 -11.109 2.778 1.00 0.00 H new ATOM 0 HA HIS B 88 3.505 -12.821 4.977 1.00 0.00 H new ATOM 0 HB2 HIS B 88 3.579 -9.864 4.589 1.00 0.00 H new ATOM 0 HB3 HIS B 88 2.048 -10.486 5.174 1.00 0.00 H new ATOM 0 HD2 HIS B 88 2.328 -9.654 7.803 1.00 0.00 H new ATOM 0 HE1 HIS B 88 5.911 -11.765 8.635 1.00 0.00 H new ATOM 0 HE2 HIS B 88 4.036 -10.369 9.638 1.00 0.00 H new ATOM 2959 N GLU B 89 1.605 -11.344 2.694 1.00 0.00 N ATOM 2960 CA GLU B 89 0.379 -11.514 1.900 1.00 0.00 C ATOM 2961 C GLU B 89 0.211 -12.940 1.395 1.00 0.00 C ATOM 2962 O GLU B 89 1.180 -13.690 1.273 1.00 0.00 O ATOM 2963 CB GLU B 89 0.343 -10.548 0.713 1.00 0.00 C ATOM 2964 CG GLU B 89 0.756 -9.124 1.054 1.00 0.00 C ATOM 2965 CD GLU B 89 -0.347 -8.115 0.797 1.00 0.00 C ATOM 2966 OE1 GLU B 89 -1.527 -8.523 0.750 1.00 0.00 O ATOM 2967 OE2 GLU B 89 -0.031 -6.917 0.641 1.00 0.00 O ATOM 0 H GLU B 89 2.067 -10.444 2.562 1.00 0.00 H new ATOM 0 HA GLU B 89 -0.450 -11.289 2.572 1.00 0.00 H new ATOM 0 HB2 GLU B 89 1.000 -10.927 -0.070 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -0.666 -10.533 0.302 1.00 0.00 H new ATOM 0 HG2 GLU B 89 1.048 -9.077 2.103 1.00 0.00 H new ATOM 0 HG3 GLU B 89 1.633 -8.854 0.466 1.00 0.00 H new ATOM 2974 N SER B 90 -1.034 -13.306 1.110 1.00 0.00 N ATOM 2975 CA SER B 90 -1.347 -14.640 0.625 1.00 0.00 C ATOM 2976 C SER B 90 -0.789 -14.861 -0.779 1.00 0.00 C ATOM 2977 O SER B 90 -1.544 -15.019 -1.740 1.00 0.00 O ATOM 2978 CB SER B 90 -2.860 -14.864 0.631 1.00 0.00 C ATOM 2979 OG SER B 90 -3.176 -16.214 0.924 1.00 0.00 O ATOM 0 H SER B 90 -1.844 -12.693 1.208 1.00 0.00 H new ATOM 0 HA SER B 90 -0.877 -15.361 1.294 1.00 0.00 H new ATOM 0 HB2 SER B 90 -3.324 -14.210 1.369 1.00 0.00 H new ATOM 0 HB3 SER B 90 -3.274 -14.593 -0.340 1.00 0.00 H new ATOM 0 HG SER B 90 -4.149 -16.330 0.923 1.00 0.00 H new ATOM 2985 N PHE B 91 0.534 -14.875 -0.890 1.00 0.00 N ATOM 2986 CA PHE B 91 1.195 -15.078 -2.173 1.00 0.00 C ATOM 2987 C PHE B 91 2.449 -15.926 -2.005 1.00 0.00 C ATOM 2988 O PHE B 91 2.659 -16.896 -2.733 1.00 0.00 O ATOM 2989 CB PHE B 91 1.556 -13.734 -2.807 1.00 0.00 C ATOM 2990 CG PHE B 91 1.319 -13.688 -4.290 1.00 0.00 C ATOM 2991 CD1 PHE B 91 1.916 -14.617 -5.128 1.00 0.00 C ATOM 2992 CD2 PHE B 91 0.502 -12.718 -4.845 1.00 0.00 C ATOM 2993 CE1 PHE B 91 1.702 -14.578 -6.492 1.00 0.00 C ATOM 2994 CE2 PHE B 91 0.283 -12.673 -6.209 1.00 0.00 C ATOM 2995 CZ PHE B 91 0.885 -13.605 -7.034 1.00 0.00 C ATOM 0 H PHE B 91 1.172 -14.748 -0.104 1.00 0.00 H new ATOM 0 HA PHE B 91 0.503 -15.605 -2.831 1.00 0.00 H new ATOM 0 HB2 PHE B 91 0.972 -12.947 -2.329 1.00 0.00 H new ATOM 0 HB3 PHE B 91 2.606 -13.518 -2.608 1.00 0.00 H new ATOM 0 HD1 PHE B 91 2.556 -15.380 -4.710 1.00 0.00 H new ATOM 0 HD2 PHE B 91 0.030 -11.988 -4.205 1.00 0.00 H new ATOM 0 HE1 PHE B 91 2.173 -15.308 -7.134 1.00 0.00 H new ATOM 0 HE2 PHE B 91 -0.357 -11.911 -6.629 1.00 0.00 H new ATOM 0 HZ PHE B 91 0.717 -13.572 -8.100 1.00 0.00 H new ATOM 3005 N VAL B 92 3.281 -15.553 -1.038 1.00 0.00 N ATOM 3006 CA VAL B 92 4.515 -16.278 -0.770 1.00 0.00 C ATOM 3007 C VAL B 92 4.228 -17.662 -0.193 1.00 0.00 C ATOM 3008 O VAL B 92 5.039 -18.580 -0.319 1.00 0.00 O ATOM 3009 CB VAL B 92 5.423 -15.500 0.203 1.00 0.00 C ATOM 3010 CG1 VAL B 92 4.722 -15.282 1.535 1.00 0.00 C ATOM 3011 CG2 VAL B 92 6.747 -16.226 0.401 1.00 0.00 C ATOM 0 H VAL B 92 3.122 -14.752 -0.427 1.00 0.00 H new ATOM 0 HA VAL B 92 5.031 -16.389 -1.724 1.00 0.00 H new ATOM 0 HB VAL B 92 5.633 -14.524 -0.233 1.00 0.00 H new ATOM 0 HG11 VAL B 92 5.380 -14.731 2.207 1.00 0.00 H new ATOM 0 HG12 VAL B 92 3.807 -14.712 1.375 1.00 0.00 H new ATOM 0 HG13 VAL B 92 4.476 -16.247 1.979 1.00 0.00 H new ATOM 0 HG21 VAL B 92 7.373 -15.660 1.091 1.00 0.00 H new ATOM 0 HG22 VAL B 92 6.560 -17.218 0.811 1.00 0.00 H new ATOM 0 HG23 VAL B 92 7.257 -16.320 -0.558 1.00 0.00 H new