USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 469 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 Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -113:sc= 0.133 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -114:sc= -1.51 (180deg=-3.76!) USER MOD Single : A 78 GLN : amide:sc= -4.12! C(o=-4.1!,f=-4.8!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.188 USER MOD Single : A 84 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.28) USER MOD Single : A 90 LYS NZ :NH3+ -111:sc= 0.0363 (180deg=0) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 76:sc= 0.0147 USER MOD Single : A 94 GLN : amide:sc= -5.96! C(o=-6!,f=-8.7!) USER MOD Single : A 100 ASN : amide:sc= -0.512 K(o=-0.51,f=-9.9!) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -0.0235 X(o=-0.024,f=-0.29) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot -34:sc= 0.058 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 13.330 -39.244 7.910 1.00 0.00 N ATOM 2 CA GLY A -4 13.526 -39.130 6.437 1.00 0.00 C ATOM 3 C GLY A -4 14.406 -37.921 6.129 1.00 0.00 C ATOM 4 O GLY A -4 14.739 -37.139 7.021 1.00 0.00 O ATOM 0 H1 GLY A -4 13.803 -40.102 8.258 1.00 0.00 H new ATOM 0 H2 GLY A -4 13.737 -38.410 8.380 1.00 0.00 H new ATOM 0 H3 GLY A -4 12.313 -39.299 8.122 1.00 0.00 H new ATOM 0 HA2 GLY A -4 13.989 -40.038 6.050 1.00 0.00 H new ATOM 0 HA3 GLY A -4 12.562 -39.027 5.939 1.00 0.00 H new ATOM 10 N PRO A -3 14.781 -37.756 4.887 1.00 0.00 N ATOM 11 CA PRO A -3 15.640 -36.617 4.442 1.00 0.00 C ATOM 12 C PRO A -3 14.903 -35.279 4.514 1.00 0.00 C ATOM 13 O PRO A -3 15.509 -34.216 4.382 1.00 0.00 O ATOM 14 CB PRO A -3 16.008 -36.987 2.994 1.00 0.00 C ATOM 15 CG PRO A -3 14.899 -37.876 2.529 1.00 0.00 C ATOM 16 CD PRO A -3 14.425 -38.645 3.765 1.00 0.00 C ATOM 0 HA PRO A -3 16.514 -36.481 5.079 1.00 0.00 H new ATOM 0 HB2 PRO A -3 16.090 -36.098 2.368 1.00 0.00 H new ATOM 0 HB3 PRO A -3 16.969 -37.499 2.949 1.00 0.00 H new ATOM 0 HG2 PRO A -3 14.086 -37.292 2.098 1.00 0.00 H new ATOM 0 HG3 PRO A -3 15.246 -38.559 1.754 1.00 0.00 H new ATOM 0 HD2 PRO A -3 13.353 -38.837 3.731 1.00 0.00 H new ATOM 0 HD3 PRO A -3 14.919 -39.613 3.848 1.00 0.00 H new ATOM 24 N LEU A -2 13.592 -35.341 4.717 1.00 0.00 N ATOM 25 CA LEU A -2 12.783 -34.128 4.798 1.00 0.00 C ATOM 26 C LEU A -2 13.329 -33.194 5.876 1.00 0.00 C ATOM 27 O LEU A -2 13.823 -33.643 6.910 1.00 0.00 O ATOM 28 CB LEU A -2 11.325 -34.497 5.118 1.00 0.00 C ATOM 29 CG LEU A -2 10.601 -34.917 3.838 1.00 0.00 C ATOM 30 CD1 LEU A -2 11.322 -36.114 3.213 1.00 0.00 C ATOM 31 CD2 LEU A -2 9.160 -35.306 4.176 1.00 0.00 C ATOM 0 H LEU A -2 13.069 -36.210 4.828 1.00 0.00 H new ATOM 0 HA LEU A -2 12.824 -33.614 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A -2 11.297 -35.309 5.845 1.00 0.00 H new ATOM 0 HB3 LEU A -2 10.816 -33.646 5.571 1.00 0.00 H new ATOM 0 HG LEU A -2 10.598 -34.088 3.131 1.00 0.00 H new ATOM 0 HD11 LEU A -2 10.806 -36.414 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A -2 12.349 -35.836 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A -2 11.325 -36.945 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A -2 8.641 -35.606 3.266 1.00 0.00 H new ATOM 0 HD22 LEU A -2 9.163 -36.136 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A -2 8.648 -34.453 4.621 1.00 0.00 H new ATOM 43 N GLY A -1 13.236 -31.893 5.617 1.00 0.00 N ATOM 44 CA GLY A -1 13.725 -30.897 6.564 1.00 0.00 C ATOM 45 C GLY A -1 14.005 -29.572 5.862 1.00 0.00 C ATOM 46 O GLY A -1 13.093 -28.898 5.391 1.00 0.00 O ATOM 0 H GLY A -1 12.829 -31.506 4.765 1.00 0.00 H new ATOM 0 HA2 GLY A -1 12.988 -30.747 7.353 1.00 0.00 H new ATOM 0 HA3 GLY A -1 14.635 -31.260 7.042 1.00 0.00 H new ATOM 50 N SER A 0 15.281 -29.211 5.790 1.00 0.00 N ATOM 51 CA SER A 0 15.684 -27.970 5.143 1.00 0.00 C ATOM 52 C SER A 0 15.285 -27.983 3.671 1.00 0.00 C ATOM 53 O SER A 0 15.129 -26.932 3.048 1.00 0.00 O ATOM 54 CB SER A 0 17.194 -27.774 5.272 1.00 0.00 C ATOM 55 OG SER A 0 17.552 -26.512 4.723 1.00 0.00 O ATOM 0 H SER A 0 16.052 -29.759 6.171 1.00 0.00 H new ATOM 0 HA SER A 0 15.175 -27.142 5.637 1.00 0.00 H new ATOM 0 HB2 SER A 0 17.491 -27.825 6.320 1.00 0.00 H new ATOM 0 HB3 SER A 0 17.722 -28.573 4.752 1.00 0.00 H new ATOM 0 HG SER A 0 18.520 -26.382 4.805 1.00 0.00 H new ATOM 61 N ARG A 74 15.136 -29.179 3.116 1.00 0.00 N ATOM 62 CA ARG A 74 14.766 -29.320 1.712 1.00 0.00 C ATOM 63 C ARG A 74 13.344 -28.819 1.477 1.00 0.00 C ATOM 64 O ARG A 74 12.924 -28.634 0.336 1.00 0.00 O ATOM 65 CB ARG A 74 14.864 -30.788 1.296 1.00 0.00 C ATOM 66 CG ARG A 74 16.331 -31.218 1.309 1.00 0.00 C ATOM 67 CD ARG A 74 16.426 -32.728 1.086 1.00 0.00 C ATOM 68 NE ARG A 74 17.822 -33.145 1.068 1.00 0.00 N ATOM 69 CZ ARG A 74 18.501 -33.314 2.198 1.00 0.00 C ATOM 70 NH1 ARG A 74 17.922 -33.094 3.347 1.00 0.00 N ATOM 71 NH2 ARG A 74 19.748 -33.695 2.160 1.00 0.00 N ATOM 0 H ARG A 74 15.265 -30.061 3.612 1.00 0.00 H new ATOM 0 HA ARG A 74 15.452 -28.722 1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 74 14.284 -31.411 1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 74 14.441 -30.925 0.301 1.00 0.00 H new ATOM 0 HG2 ARG A 74 16.882 -30.690 0.531 1.00 0.00 H new ATOM 0 HG3 ARG A 74 16.790 -30.951 2.261 1.00 0.00 H new ATOM 0 HD2 ARG A 74 15.891 -33.254 1.877 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.946 -32.995 0.144 1.00 0.00 H new ATOM 0 HE ARG A 74 18.285 -33.310 0.174 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.948 -32.792 3.378 1.00 0.00 H new ATOM 0 HH12 ARG A 74 18.443 -33.224 4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 74 20.203 -33.863 1.263 1.00 0.00 H new ATOM 0 HH22 ARG A 74 20.268 -33.824 3.028 1.00 0.00 H new ATOM 85 N LYS A 75 12.603 -28.605 2.564 1.00 0.00 N ATOM 86 CA LYS A 75 11.225 -28.131 2.460 1.00 0.00 C ATOM 87 C LYS A 75 11.177 -26.615 2.350 1.00 0.00 C ATOM 88 O LYS A 75 10.115 -26.025 2.155 1.00 0.00 O ATOM 89 CB LYS A 75 10.422 -28.576 3.684 1.00 0.00 C ATOM 90 CG LYS A 75 10.342 -30.103 3.723 1.00 0.00 C ATOM 91 CD LYS A 75 9.283 -30.533 4.746 1.00 0.00 C ATOM 92 CE LYS A 75 9.680 -30.061 6.150 1.00 0.00 C ATOM 93 NZ LYS A 75 9.231 -28.653 6.344 1.00 0.00 N ATOM 0 H LYS A 75 12.931 -28.751 3.519 1.00 0.00 H new ATOM 0 HA LYS A 75 10.789 -28.562 1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.892 -28.204 4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.419 -28.151 3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.088 -30.490 2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.312 -30.522 3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.314 -30.115 4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.176 -31.618 4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.228 -30.706 6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.760 -30.131 6.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.061 -28.034 6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.666 -28.353 5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.652 -28.589 7.206 1.00 0.00 H new ATOM 107 N ILE A 76 12.340 -25.994 2.470 1.00 0.00 N ATOM 108 CA ILE A 76 12.439 -24.539 2.380 1.00 0.00 C ATOM 109 C ILE A 76 12.607 -24.108 0.928 1.00 0.00 C ATOM 110 O ILE A 76 13.525 -24.554 0.239 1.00 0.00 O ATOM 111 CB ILE A 76 13.627 -24.037 3.202 1.00 0.00 C ATOM 112 CG1 ILE A 76 13.552 -24.617 4.623 1.00 0.00 C ATOM 113 CG2 ILE A 76 13.606 -22.507 3.263 1.00 0.00 C ATOM 114 CD1 ILE A 76 12.198 -24.290 5.271 1.00 0.00 C ATOM 0 H ILE A 76 13.228 -26.470 2.630 1.00 0.00 H new ATOM 0 HA ILE A 76 11.520 -24.107 2.777 1.00 0.00 H new ATOM 0 HB ILE A 76 14.554 -24.361 2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 76 13.693 -25.697 4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 76 14.360 -24.209 5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 76 14.454 -22.155 3.850 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.670 -22.102 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 76 12.679 -22.174 3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 76 12.165 -24.709 6.277 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.072 -23.209 5.325 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.395 -24.720 4.672 1.00 0.00 H new ATOM 126 N ALA A 77 11.713 -23.237 0.471 1.00 0.00 N ATOM 127 CA ALA A 77 11.765 -22.743 -0.902 1.00 0.00 C ATOM 128 C ALA A 77 12.675 -21.526 -0.994 1.00 0.00 C ATOM 129 O ALA A 77 12.594 -20.614 -0.169 1.00 0.00 O ATOM 130 CB ALA A 77 10.358 -22.371 -1.373 1.00 0.00 C ATOM 0 H ALA A 77 10.946 -22.859 1.028 1.00 0.00 H new ATOM 0 HA ALA A 77 12.165 -23.530 -1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.403 -22.003 -2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.716 -23.251 -1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.951 -21.594 -0.726 1.00 0.00 H new ATOM 136 N GLN A 78 13.539 -21.512 -2.004 1.00 0.00 N ATOM 137 CA GLN A 78 14.458 -20.397 -2.192 1.00 0.00 C ATOM 138 C GLN A 78 13.754 -19.242 -2.899 1.00 0.00 C ATOM 139 O GLN A 78 13.234 -19.398 -4.003 1.00 0.00 O ATOM 140 CB GLN A 78 15.656 -20.849 -3.029 1.00 0.00 C ATOM 141 CG GLN A 78 16.401 -21.967 -2.297 1.00 0.00 C ATOM 142 CD GLN A 78 15.597 -23.261 -2.367 1.00 0.00 C ATOM 143 OE1 GLN A 78 15.070 -23.609 -3.423 1.00 0.00 O ATOM 144 NE2 GLN A 78 15.471 -23.999 -1.298 1.00 0.00 N ATOM 0 H GLN A 78 13.621 -22.254 -2.699 1.00 0.00 H new ATOM 0 HA GLN A 78 14.801 -20.060 -1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.319 -21.201 -4.004 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.326 -20.008 -3.207 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.384 -22.115 -2.745 1.00 0.00 H new ATOM 0 HG3 GLN A 78 16.564 -21.686 -1.257 1.00 0.00 H new ATOM 0 HE21 GLN A 78 15.909 -23.709 -0.424 1.00 0.00 H new ATOM 0 HE22 GLN A 78 14.935 -24.866 -1.337 1.00 0.00 H new ATOM 153 N MET A 79 13.750 -18.084 -2.247 1.00 0.00 N ATOM 154 CA MET A 79 13.116 -16.891 -2.806 1.00 0.00 C ATOM 155 C MET A 79 14.024 -16.247 -3.854 1.00 0.00 C ATOM 156 O MET A 79 15.247 -16.382 -3.800 1.00 0.00 O ATOM 157 CB MET A 79 12.788 -15.887 -1.679 1.00 0.00 C ATOM 158 CG MET A 79 13.740 -16.104 -0.499 1.00 0.00 C ATOM 159 SD MET A 79 15.442 -16.194 -1.107 1.00 0.00 S ATOM 160 CE MET A 79 16.253 -16.307 0.507 1.00 0.00 C ATOM 0 H MET A 79 14.178 -17.944 -1.332 1.00 0.00 H new ATOM 0 HA MET A 79 12.185 -17.182 -3.293 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.881 -14.866 -2.050 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.756 -16.015 -1.354 1.00 0.00 H new ATOM 0 HG2 MET A 79 13.641 -15.288 0.217 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.481 -17.023 0.027 1.00 0.00 H new ATOM 0 HE1 MET A 79 17.332 -16.373 0.368 1.00 0.00 H new ATOM 0 HE2 MET A 79 16.017 -15.421 1.096 1.00 0.00 H new ATOM 0 HE3 MET A 79 15.899 -17.195 1.030 1.00 0.00 H new ATOM 170 N THR A 80 13.413 -15.544 -4.803 1.00 0.00 N ATOM 171 CA THR A 80 14.168 -14.878 -5.857 1.00 0.00 C ATOM 172 C THR A 80 14.797 -13.597 -5.327 1.00 0.00 C ATOM 173 O THR A 80 14.463 -13.141 -4.233 1.00 0.00 O ATOM 174 CB THR A 80 13.249 -14.552 -7.035 1.00 0.00 C ATOM 175 OG1 THR A 80 12.246 -13.640 -6.612 1.00 0.00 O ATOM 176 CG2 THR A 80 12.594 -15.837 -7.543 1.00 0.00 C ATOM 0 H THR A 80 12.402 -15.422 -4.863 1.00 0.00 H new ATOM 0 HA THR A 80 14.959 -15.548 -6.194 1.00 0.00 H new ATOM 0 HB THR A 80 13.832 -14.103 -7.839 1.00 0.00 H new ATOM 0 HG1 THR A 80 11.657 -13.429 -7.366 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.939 -15.604 -8.383 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.366 -16.535 -7.867 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.010 -16.289 -6.742 1.00 0.00 H new ATOM 184 N GLU A 82 15.708 -13.021 -6.103 1.00 0.00 N ATOM 185 CA GLU A 82 16.376 -11.795 -5.684 1.00 0.00 C ATOM 186 C GLU A 82 15.357 -10.683 -5.475 1.00 0.00 C ATOM 187 O GLU A 82 15.426 -9.947 -4.489 1.00 0.00 O ATOM 188 CB GLU A 82 17.387 -11.366 -6.753 1.00 0.00 C ATOM 189 CG GLU A 82 18.565 -12.341 -6.768 1.00 0.00 C ATOM 190 CD GLU A 82 19.532 -11.973 -7.890 1.00 0.00 C ATOM 191 OE1 GLU A 82 19.172 -11.144 -8.708 1.00 0.00 O ATOM 192 OE2 GLU A 82 20.621 -12.524 -7.911 1.00 0.00 O ATOM 0 H GLU A 82 15.998 -13.377 -7.014 1.00 0.00 H new ATOM 0 HA GLU A 82 16.895 -11.983 -4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.908 -11.344 -7.732 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.741 -10.356 -6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 82 19.081 -12.315 -5.808 1.00 0.00 H new ATOM 0 HG3 GLU A 82 18.203 -13.360 -6.908 1.00 0.00 H new ATOM 199 N GLU A 83 14.406 -10.573 -6.396 1.00 0.00 N ATOM 200 CA GLU A 83 13.371 -9.554 -6.286 1.00 0.00 C ATOM 201 C GLU A 83 12.460 -9.832 -5.092 1.00 0.00 C ATOM 202 O GLU A 83 12.088 -8.916 -4.362 1.00 0.00 O ATOM 203 CB GLU A 83 12.542 -9.504 -7.573 1.00 0.00 C ATOM 204 CG GLU A 83 11.504 -8.383 -7.475 1.00 0.00 C ATOM 205 CD GLU A 83 10.737 -8.267 -8.788 1.00 0.00 C ATOM 206 OE1 GLU A 83 10.942 -9.110 -9.646 1.00 0.00 O ATOM 207 OE2 GLU A 83 9.960 -7.335 -8.919 1.00 0.00 O ATOM 0 H GLU A 83 14.331 -11.171 -7.219 1.00 0.00 H new ATOM 0 HA GLU A 83 13.856 -8.590 -6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 83 13.194 -9.335 -8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.044 -10.460 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.813 -8.587 -6.657 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.997 -7.438 -7.248 1.00 0.00 H new ATOM 214 N GLN A 84 12.101 -11.099 -4.903 1.00 0.00 N ATOM 215 CA GLN A 84 11.234 -11.474 -3.806 1.00 0.00 C ATOM 216 C GLN A 84 11.906 -11.185 -2.469 1.00 0.00 C ATOM 217 O GLN A 84 11.264 -10.721 -1.527 1.00 0.00 O ATOM 218 CB GLN A 84 10.905 -12.961 -3.914 1.00 0.00 C ATOM 219 CG GLN A 84 9.867 -13.339 -2.863 1.00 0.00 C ATOM 220 CD GLN A 84 8.553 -12.603 -3.117 1.00 0.00 C ATOM 221 OE1 GLN A 84 7.982 -12.708 -4.202 1.00 0.00 O ATOM 222 NE2 GLN A 84 8.039 -11.858 -2.176 1.00 0.00 N ATOM 0 H GLN A 84 12.399 -11.874 -5.495 1.00 0.00 H new ATOM 0 HA GLN A 84 10.316 -10.889 -3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.526 -13.187 -4.911 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.809 -13.554 -3.775 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.697 -14.415 -2.883 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.242 -13.094 -1.869 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.514 -11.772 -1.277 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.163 -11.362 -2.340 1.00 0.00 H new ATOM 231 N PHE A 85 13.198 -11.465 -2.392 1.00 0.00 N ATOM 232 CA PHE A 85 13.939 -11.237 -1.160 1.00 0.00 C ATOM 233 C PHE A 85 13.916 -9.755 -0.798 1.00 0.00 C ATOM 234 O PHE A 85 13.662 -9.391 0.349 1.00 0.00 O ATOM 235 CB PHE A 85 15.383 -11.712 -1.325 1.00 0.00 C ATOM 236 CG PHE A 85 16.119 -11.546 -0.017 1.00 0.00 C ATOM 237 CD1 PHE A 85 15.799 -12.374 1.067 1.00 0.00 C ATOM 238 CD2 PHE A 85 17.124 -10.578 0.117 1.00 0.00 C ATOM 239 CE1 PHE A 85 16.477 -12.233 2.283 1.00 0.00 C ATOM 240 CE2 PHE A 85 17.804 -10.438 1.335 1.00 0.00 C ATOM 241 CZ PHE A 85 17.481 -11.267 2.416 1.00 0.00 C ATOM 0 H PHE A 85 13.751 -11.847 -3.159 1.00 0.00 H new ATOM 0 HA PHE A 85 13.468 -11.802 -0.356 1.00 0.00 H new ATOM 0 HB2 PHE A 85 15.400 -12.757 -1.634 1.00 0.00 H new ATOM 0 HB3 PHE A 85 15.878 -11.139 -2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 85 15.027 -13.123 0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 85 17.374 -9.940 -0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 85 16.226 -12.869 3.119 1.00 0.00 H new ATOM 0 HE2 PHE A 85 18.577 -9.691 1.439 1.00 0.00 H new ATOM 0 HZ PHE A 85 18.007 -11.161 3.353 1.00 0.00 H new ATOM 251 N ALA A 86 14.177 -8.904 -1.783 1.00 0.00 N ATOM 252 CA ALA A 86 14.181 -7.465 -1.554 1.00 0.00 C ATOM 253 C ALA A 86 12.813 -6.997 -1.072 1.00 0.00 C ATOM 254 O ALA A 86 12.709 -6.136 -0.191 1.00 0.00 O ATOM 255 CB ALA A 86 14.545 -6.732 -2.844 1.00 0.00 C ATOM 0 H ALA A 86 14.387 -9.183 -2.741 1.00 0.00 H new ATOM 0 HA ALA A 86 14.922 -7.240 -0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.546 -5.657 -2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.536 -7.045 -3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.814 -6.970 -3.616 1.00 0.00 H new ATOM 261 N LEU A 87 11.767 -7.568 -1.656 1.00 0.00 N ATOM 262 CA LEU A 87 10.406 -7.207 -1.286 1.00 0.00 C ATOM 263 C LEU A 87 10.165 -7.535 0.183 1.00 0.00 C ATOM 264 O LEU A 87 9.431 -6.846 0.874 1.00 0.00 O ATOM 265 CB LEU A 87 9.395 -7.960 -2.159 1.00 0.00 C ATOM 266 CG LEU A 87 7.989 -7.352 -1.988 1.00 0.00 C ATOM 267 CD1 LEU A 87 7.832 -6.101 -2.867 1.00 0.00 C ATOM 268 CD2 LEU A 87 6.930 -8.382 -2.398 1.00 0.00 C ATOM 0 H LEU A 87 11.835 -8.279 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 87 10.274 -6.136 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.697 -7.908 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.379 -9.014 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 87 7.858 -7.074 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.833 -5.685 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.576 -5.358 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.975 -6.371 -3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.936 -7.950 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.079 -8.662 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.021 -9.267 -1.769 1.00 0.00 H new ATOM 280 N ALA A 88 10.773 -8.605 0.653 1.00 0.00 N ATOM 281 CA ALA A 88 10.615 -8.991 2.044 1.00 0.00 C ATOM 282 C ALA A 88 11.296 -7.979 2.970 1.00 0.00 C ATOM 283 O ALA A 88 10.815 -7.711 4.074 1.00 0.00 O ATOM 284 CB ALA A 88 11.202 -10.381 2.272 1.00 0.00 C ATOM 0 H ALA A 88 11.374 -9.217 0.102 1.00 0.00 H new ATOM 0 HA ALA A 88 9.550 -9.009 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.078 -10.661 3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.685 -11.103 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 88 12.263 -10.374 2.021 1.00 0.00 H new ATOM 290 N LEU A 89 12.441 -7.454 2.529 1.00 0.00 N ATOM 291 CA LEU A 89 13.206 -6.510 3.346 1.00 0.00 C ATOM 292 C LEU A 89 12.420 -5.228 3.614 1.00 0.00 C ATOM 293 O LEU A 89 12.364 -4.744 4.751 1.00 0.00 O ATOM 294 CB LEU A 89 14.500 -6.141 2.610 1.00 0.00 C ATOM 295 CG LEU A 89 15.397 -7.379 2.454 1.00 0.00 C ATOM 296 CD1 LEU A 89 16.636 -7.016 1.621 1.00 0.00 C ATOM 297 CD2 LEU A 89 15.822 -7.909 3.838 1.00 0.00 C ATOM 0 H LEU A 89 12.855 -7.663 1.621 1.00 0.00 H new ATOM 0 HA LEU A 89 13.420 -6.991 4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.263 -5.729 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 89 15.032 -5.366 3.162 1.00 0.00 H new ATOM 0 HG LEU A 89 14.838 -8.162 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.271 -7.895 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 89 16.323 -6.669 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 89 17.194 -6.226 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.457 -8.786 3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.374 -7.134 4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.936 -8.182 4.411 1.00 0.00 H new ATOM 309 N LYS A 90 11.804 -4.687 2.572 1.00 0.00 N ATOM 310 CA LYS A 90 11.027 -3.467 2.729 1.00 0.00 C ATOM 311 C LYS A 90 9.747 -3.753 3.506 1.00 0.00 C ATOM 312 O LYS A 90 9.230 -2.885 4.212 1.00 0.00 O ATOM 313 CB LYS A 90 10.701 -2.876 1.347 1.00 0.00 C ATOM 314 CG LYS A 90 9.655 -3.748 0.616 1.00 0.00 C ATOM 315 CD LYS A 90 8.250 -3.145 0.739 1.00 0.00 C ATOM 316 CE LYS A 90 7.210 -4.164 0.270 1.00 0.00 C ATOM 317 NZ LYS A 90 5.851 -3.636 0.560 1.00 0.00 N ATOM 0 H LYS A 90 11.826 -5.066 1.625 1.00 0.00 H new ATOM 0 HA LYS A 90 11.613 -2.740 3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.321 -1.861 1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.610 -2.811 0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.924 -3.839 -0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.660 -4.755 1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.055 -2.861 1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.180 -2.237 0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.321 -4.351 -0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.360 -5.117 0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.412 -4.203 1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.922 -2.645 0.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.267 -3.690 -0.299 1.00 0.00 H new ATOM 331 N MET A 91 9.233 -4.971 3.368 1.00 0.00 N ATOM 332 CA MET A 91 8.003 -5.344 4.056 1.00 0.00 C ATOM 333 C MET A 91 8.208 -5.298 5.563 1.00 0.00 C ATOM 334 O MET A 91 7.359 -4.796 6.299 1.00 0.00 O ATOM 335 CB MET A 91 7.581 -6.756 3.633 1.00 0.00 C ATOM 336 CG MET A 91 6.172 -7.051 4.154 1.00 0.00 C ATOM 337 SD MET A 91 4.974 -6.041 3.247 1.00 0.00 S ATOM 338 CE MET A 91 3.559 -6.322 4.338 1.00 0.00 C ATOM 0 H MET A 91 9.643 -5.708 2.794 1.00 0.00 H new ATOM 0 HA MET A 91 7.219 -4.636 3.786 1.00 0.00 H new ATOM 0 HB2 MET A 91 7.603 -6.842 2.547 1.00 0.00 H new ATOM 0 HB3 MET A 91 8.285 -7.489 4.026 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.940 -8.109 4.030 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.114 -6.834 5.221 1.00 0.00 H new ATOM 0 HE1 MET A 91 2.693 -5.780 3.958 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.333 -7.388 4.373 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.797 -5.968 5.341 1.00 0.00 H new ATOM 348 N SER A 92 9.343 -5.812 6.018 1.00 0.00 N ATOM 349 CA SER A 92 9.652 -5.811 7.440 1.00 0.00 C ATOM 350 C SER A 92 9.824 -4.385 7.951 1.00 0.00 C ATOM 351 O SER A 92 9.362 -4.045 9.047 1.00 0.00 O ATOM 352 CB SER A 92 10.932 -6.604 7.696 1.00 0.00 C ATOM 353 OG SER A 92 10.714 -7.968 7.360 1.00 0.00 O ATOM 0 H SER A 92 10.060 -6.232 5.427 1.00 0.00 H new ATOM 0 HA SER A 92 8.823 -6.277 7.972 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.750 -6.197 7.102 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.224 -6.517 8.743 1.00 0.00 H new ATOM 0 HG SER A 92 10.713 -8.069 6.385 1.00 0.00 H new ATOM 359 N GLU A 93 10.497 -3.554 7.152 1.00 0.00 N ATOM 360 CA GLU A 93 10.725 -2.167 7.540 1.00 0.00 C ATOM 361 C GLU A 93 9.405 -1.409 7.640 1.00 0.00 C ATOM 362 O GLU A 93 9.204 -0.611 8.554 1.00 0.00 O ATOM 363 CB GLU A 93 11.630 -1.483 6.512 1.00 0.00 C ATOM 364 CG GLU A 93 13.049 -2.043 6.622 1.00 0.00 C ATOM 365 CD GLU A 93 13.908 -1.515 5.476 1.00 0.00 C ATOM 366 OE1 GLU A 93 13.347 -0.943 4.556 1.00 0.00 O ATOM 367 OE2 GLU A 93 15.113 -1.688 5.539 1.00 0.00 O ATOM 0 H GLU A 93 10.887 -3.815 6.246 1.00 0.00 H new ATOM 0 HA GLU A 93 11.208 -2.159 8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.242 -1.645 5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.639 -0.406 6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.488 -1.758 7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.022 -3.132 6.596 1.00 0.00 H new ATOM 374 N GLN A 94 8.498 -1.675 6.702 1.00 0.00 N ATOM 375 CA GLN A 94 7.197 -1.013 6.702 1.00 0.00 C ATOM 376 C GLN A 94 6.396 -1.416 7.936 1.00 0.00 C ATOM 377 O GLN A 94 5.682 -0.600 8.522 1.00 0.00 O ATOM 378 CB GLN A 94 6.424 -1.380 5.416 1.00 0.00 C ATOM 379 CG GLN A 94 6.735 -0.367 4.307 1.00 0.00 C ATOM 380 CD GLN A 94 8.230 -0.358 4.008 1.00 0.00 C ATOM 381 OE1 GLN A 94 8.669 -0.936 3.015 1.00 0.00 O ATOM 382 NE2 GLN A 94 9.045 0.249 4.827 1.00 0.00 N ATOM 0 H GLN A 94 8.638 -2.338 5.940 1.00 0.00 H new ATOM 0 HA GLN A 94 7.349 0.066 6.729 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.699 -2.383 5.091 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.353 -1.393 5.617 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.178 -0.621 3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.411 0.628 4.612 1.00 0.00 H new ATOM 0 HE21 GLN A 94 8.678 0.728 5.650 1.00 0.00 H new ATOM 0 HE22 GLN A 94 10.048 0.245 4.644 1.00 0.00 H new ATOM 391 N GLU A 95 6.517 -2.677 8.327 1.00 0.00 N ATOM 392 CA GLU A 95 5.802 -3.170 9.492 1.00 0.00 C ATOM 393 C GLU A 95 6.430 -2.626 10.771 1.00 0.00 C ATOM 394 O GLU A 95 5.792 -2.607 11.824 1.00 0.00 O ATOM 395 CB GLU A 95 5.819 -4.699 9.514 1.00 0.00 C ATOM 396 CG GLU A 95 4.955 -5.239 8.373 1.00 0.00 C ATOM 397 CD GLU A 95 5.057 -6.759 8.322 1.00 0.00 C ATOM 398 OE1 GLU A 95 5.879 -7.302 9.040 1.00 0.00 O ATOM 399 OE2 GLU A 95 4.310 -7.360 7.566 1.00 0.00 O ATOM 0 H GLU A 95 7.099 -3.371 7.858 1.00 0.00 H new ATOM 0 HA GLU A 95 4.769 -2.827 9.434 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.842 -5.063 9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.445 -5.063 10.471 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.917 -4.940 8.518 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.281 -4.812 7.425 1.00 0.00 H new ATOM 406 N ALA A 96 7.682 -2.186 10.672 1.00 0.00 N ATOM 407 CA ALA A 96 8.389 -1.642 11.826 1.00 0.00 C ATOM 408 C ALA A 96 8.697 -2.747 12.830 1.00 0.00 C ATOM 409 O ALA A 96 8.690 -2.523 14.039 1.00 0.00 O ATOM 410 CB ALA A 96 7.542 -0.553 12.492 1.00 0.00 C ATOM 0 H ALA A 96 8.225 -2.196 9.808 1.00 0.00 H new ATOM 0 HA ALA A 96 9.329 -1.207 11.486 1.00 0.00 H new ATOM 0 HB1 ALA A 96 8.077 -0.152 13.353 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.352 0.248 11.777 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.594 -0.979 12.820 1.00 0.00 H new ATOM 416 N ARG A 97 8.960 -3.942 12.318 1.00 0.00 N ATOM 417 CA ARG A 97 9.260 -5.080 13.182 1.00 0.00 C ATOM 418 C ARG A 97 9.715 -6.276 12.352 1.00 0.00 C ATOM 419 O ARG A 97 10.375 -6.110 11.328 1.00 0.00 O ATOM 420 CB ARG A 97 8.020 -5.443 14.006 1.00 0.00 C ATOM 421 CG ARG A 97 6.869 -5.797 13.065 1.00 0.00 C ATOM 422 CD ARG A 97 5.604 -6.070 13.879 1.00 0.00 C ATOM 423 NE ARG A 97 4.482 -6.342 12.989 1.00 0.00 N ATOM 424 CZ ARG A 97 3.247 -6.472 13.463 1.00 0.00 C ATOM 425 NH1 ARG A 97 3.025 -6.359 14.743 1.00 0.00 N ATOM 426 NH2 ARG A 97 2.257 -6.710 12.648 1.00 0.00 N ATOM 0 H ARG A 97 8.972 -4.149 11.319 1.00 0.00 H new ATOM 0 HA ARG A 97 10.070 -4.807 13.858 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.240 -6.285 14.662 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.737 -4.607 14.645 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.694 -4.980 12.366 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.128 -6.674 12.472 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.766 -6.920 14.542 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.377 -5.211 14.511 1.00 0.00 H new ATOM 0 HE ARG A 97 4.647 -6.434 11.987 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.799 -6.171 15.380 1.00 0.00 H new ATOM 0 HH12 ARG A 97 2.077 -6.459 15.107 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.430 -6.796 11.647 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.309 -6.810 13.012 1.00 0.00 H new ATOM 440 N GLU A 98 9.362 -7.477 12.805 1.00 0.00 N ATOM 441 CA GLU A 98 9.736 -8.696 12.101 1.00 0.00 C ATOM 442 C GLU A 98 11.246 -8.911 12.176 1.00 0.00 C ATOM 443 O GLU A 98 11.827 -8.933 13.261 1.00 0.00 O ATOM 444 CB GLU A 98 9.272 -8.617 10.640 1.00 0.00 C ATOM 445 CG GLU A 98 9.222 -10.021 10.031 1.00 0.00 C ATOM 446 CD GLU A 98 8.056 -10.801 10.627 1.00 0.00 C ATOM 447 OE1 GLU A 98 7.200 -10.177 11.233 1.00 0.00 O ATOM 448 OE2 GLU A 98 8.035 -12.011 10.471 1.00 0.00 O ATOM 0 H GLU A 98 8.819 -7.629 13.655 1.00 0.00 H new ATOM 0 HA GLU A 98 9.247 -9.546 12.578 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.287 -8.153 10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.952 -7.987 10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.111 -9.954 8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.158 -10.545 10.224 1.00 0.00 H new ATOM 455 N VAL A 99 11.873 -9.077 11.020 1.00 0.00 N ATOM 456 CA VAL A 99 13.309 -9.299 10.963 1.00 0.00 C ATOM 457 C VAL A 99 14.058 -8.064 11.442 1.00 0.00 C ATOM 458 O VAL A 99 13.572 -6.940 11.316 1.00 0.00 O ATOM 459 CB VAL A 99 13.728 -9.613 9.523 1.00 0.00 C ATOM 460 CG1 VAL A 99 15.056 -10.373 9.521 1.00 0.00 C ATOM 461 CG2 VAL A 99 12.649 -10.470 8.851 1.00 0.00 C ATOM 0 H VAL A 99 11.410 -9.062 10.111 1.00 0.00 H new ATOM 0 HA VAL A 99 13.555 -10.140 11.612 1.00 0.00 H new ATOM 0 HB VAL A 99 13.848 -8.679 8.974 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.348 -10.593 8.494 1.00 0.00 H new ATOM 0 HG12 VAL A 99 15.825 -9.763 9.994 1.00 0.00 H new ATOM 0 HG13 VAL A 99 14.942 -11.306 10.074 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.947 -10.693 7.827 1.00 0.00 H new ATOM 0 HG22 VAL A 99 12.527 -11.401 9.404 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.705 -9.926 8.843 1.00 0.00 H new ATOM 471 N ASN A 100 15.245 -8.281 11.981 1.00 0.00 N ATOM 472 CA ASN A 100 16.057 -7.178 12.459 1.00 0.00 C ATOM 473 C ASN A 100 16.677 -6.429 11.283 1.00 0.00 C ATOM 474 O ASN A 100 17.315 -7.027 10.417 1.00 0.00 O ATOM 475 CB ASN A 100 17.164 -7.706 13.372 1.00 0.00 C ATOM 476 CG ASN A 100 17.932 -6.544 13.994 1.00 0.00 C ATOM 477 OD1 ASN A 100 17.703 -5.386 13.640 1.00 0.00 O ATOM 478 ND2 ASN A 100 18.837 -6.783 14.903 1.00 0.00 N ATOM 0 H ASN A 100 15.665 -9.203 12.098 1.00 0.00 H new ATOM 0 HA ASN A 100 15.421 -6.493 13.020 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.733 -8.328 14.156 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.845 -8.338 12.802 1.00 0.00 H new ATOM 0 HD21 ASN A 100 19.356 -6.011 15.321 1.00 0.00 H new ATOM 0 HD22 ASN A 100 19.026 -7.742 15.195 1.00 0.00 H new ATOM 485 N SER A 101 16.479 -5.122 11.258 1.00 0.00 N ATOM 486 CA SER A 101 17.017 -4.294 10.186 1.00 0.00 C ATOM 487 C SER A 101 18.533 -4.452 10.100 1.00 0.00 C ATOM 488 O SER A 101 19.102 -4.455 9.010 1.00 0.00 O ATOM 489 CB SER A 101 16.679 -2.824 10.442 1.00 0.00 C ATOM 490 OG SER A 101 17.281 -2.410 11.664 1.00 0.00 O ATOM 0 H SER A 101 15.951 -4.610 11.965 1.00 0.00 H new ATOM 0 HA SER A 101 16.569 -4.615 9.246 1.00 0.00 H new ATOM 0 HB2 SER A 101 17.039 -2.207 9.618 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.598 -2.690 10.492 1.00 0.00 H new ATOM 0 HG SER A 101 17.068 -1.468 11.831 1.00 0.00 H new ATOM 496 N GLN A 102 19.187 -4.582 11.251 1.00 0.00 N ATOM 497 CA GLN A 102 20.638 -4.738 11.267 1.00 0.00 C ATOM 498 C GLN A 102 21.052 -6.027 10.555 1.00 0.00 C ATOM 499 O GLN A 102 21.996 -6.042 9.757 1.00 0.00 O ATOM 500 CB GLN A 102 21.129 -4.771 12.718 1.00 0.00 C ATOM 501 CG GLN A 102 22.656 -4.866 12.748 1.00 0.00 C ATOM 502 CD GLN A 102 23.154 -4.820 14.188 1.00 0.00 C ATOM 503 OE1 GLN A 102 22.687 -5.582 15.035 1.00 0.00 O ATOM 504 NE2 GLN A 102 24.083 -3.965 14.517 1.00 0.00 N ATOM 0 H GLN A 102 18.745 -4.583 12.170 1.00 0.00 H new ATOM 0 HA GLN A 102 21.087 -3.894 10.743 1.00 0.00 H new ATOM 0 HB2 GLN A 102 20.801 -3.874 13.243 1.00 0.00 H new ATOM 0 HB3 GLN A 102 20.692 -5.623 13.240 1.00 0.00 H new ATOM 0 HG2 GLN A 102 22.980 -5.791 12.272 1.00 0.00 H new ATOM 0 HG3 GLN A 102 23.091 -4.045 12.178 1.00 0.00 H new ATOM 0 HE21 GLN A 102 24.468 -3.335 13.814 1.00 0.00 H new ATOM 0 HE22 GLN A 102 24.424 -3.927 15.478 1.00 0.00 H new ATOM 513 N GLU A 103 20.324 -7.104 10.832 1.00 0.00 N ATOM 514 CA GLU A 103 20.612 -8.392 10.212 1.00 0.00 C ATOM 515 C GLU A 103 20.406 -8.307 8.706 1.00 0.00 C ATOM 516 O GLU A 103 21.148 -8.911 7.932 1.00 0.00 O ATOM 517 CB GLU A 103 19.709 -9.477 10.808 1.00 0.00 C ATOM 518 CG GLU A 103 20.116 -9.748 12.263 1.00 0.00 C ATOM 519 CD GLU A 103 21.513 -10.357 12.323 1.00 0.00 C ATOM 520 OE1 GLU A 103 21.807 -11.199 11.490 1.00 0.00 O ATOM 521 OE2 GLU A 103 22.269 -9.975 13.203 1.00 0.00 O ATOM 0 H GLU A 103 19.535 -7.111 11.478 1.00 0.00 H new ATOM 0 HA GLU A 103 21.652 -8.653 10.409 1.00 0.00 H new ATOM 0 HB2 GLU A 103 18.667 -9.160 10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 103 19.789 -10.392 10.222 1.00 0.00 H new ATOM 0 HG2 GLU A 103 20.093 -8.819 12.832 1.00 0.00 H new ATOM 0 HG3 GLU A 103 19.398 -10.424 12.728 1.00 0.00 H new ATOM 528 N GLU A 104 19.395 -7.554 8.299 1.00 0.00 N ATOM 529 CA GLU A 104 19.101 -7.396 6.884 1.00 0.00 C ATOM 530 C GLU A 104 20.268 -6.729 6.169 1.00 0.00 C ATOM 531 O GLU A 104 20.589 -7.082 5.035 1.00 0.00 O ATOM 532 CB GLU A 104 17.839 -6.552 6.700 1.00 0.00 C ATOM 533 CG GLU A 104 16.617 -7.350 7.155 1.00 0.00 C ATOM 534 CD GLU A 104 15.358 -6.497 7.033 1.00 0.00 C ATOM 535 OE1 GLU A 104 15.490 -5.321 6.737 1.00 0.00 O ATOM 536 OE2 GLU A 104 14.281 -7.032 7.236 1.00 0.00 O ATOM 0 H GLU A 104 18.769 -7.046 8.924 1.00 0.00 H new ATOM 0 HA GLU A 104 18.940 -8.385 6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 104 17.919 -5.630 7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.730 -6.266 5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.515 -8.251 6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.748 -7.673 8.188 1.00 0.00 H new ATOM 543 N GLU A 105 20.900 -5.766 6.831 1.00 0.00 N ATOM 544 CA GLU A 105 22.028 -5.070 6.230 1.00 0.00 C ATOM 545 C GLU A 105 23.160 -6.046 5.935 1.00 0.00 C ATOM 546 O GLU A 105 23.745 -6.020 4.852 1.00 0.00 O ATOM 547 CB GLU A 105 22.532 -3.987 7.188 1.00 0.00 C ATOM 548 CG GLU A 105 21.544 -2.820 7.206 1.00 0.00 C ATOM 549 CD GLU A 105 21.629 -2.049 5.895 1.00 0.00 C ATOM 550 OE1 GLU A 105 22.435 -1.137 5.820 1.00 0.00 O ATOM 551 OE2 GLU A 105 20.889 -2.384 4.985 1.00 0.00 O ATOM 0 H GLU A 105 20.654 -5.454 7.770 1.00 0.00 H new ATOM 0 HA GLU A 105 21.699 -4.615 5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 105 22.644 -4.398 8.191 1.00 0.00 H new ATOM 0 HB3 GLU A 105 23.516 -3.639 6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 105 20.530 -3.192 7.354 1.00 0.00 H new ATOM 0 HG3 GLU A 105 21.765 -2.157 8.043 1.00 0.00 H new ATOM 558 N GLU A 106 23.454 -6.918 6.895 1.00 0.00 N ATOM 559 CA GLU A 106 24.514 -7.905 6.698 1.00 0.00 C ATOM 560 C GLU A 106 24.121 -8.912 5.618 1.00 0.00 C ATOM 561 O GLU A 106 24.942 -9.293 4.782 1.00 0.00 O ATOM 562 CB GLU A 106 24.807 -8.644 8.013 1.00 0.00 C ATOM 563 CG GLU A 106 25.591 -7.735 8.972 1.00 0.00 C ATOM 564 CD GLU A 106 24.658 -6.727 9.627 1.00 0.00 C ATOM 565 OE1 GLU A 106 23.905 -7.133 10.497 1.00 0.00 O ATOM 566 OE2 GLU A 106 24.699 -5.568 9.244 1.00 0.00 O ATOM 0 H GLU A 106 22.985 -6.963 7.800 1.00 0.00 H new ATOM 0 HA GLU A 106 25.412 -7.378 6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.872 -8.956 8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 106 25.379 -9.549 7.810 1.00 0.00 H new ATOM 0 HG2 GLU A 106 26.080 -8.338 9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 106 26.377 -7.212 8.427 1.00 0.00 H new ATOM 573 N GLU A 107 22.866 -9.337 5.639 1.00 0.00 N ATOM 574 CA GLU A 107 22.380 -10.297 4.657 1.00 0.00 C ATOM 575 C GLU A 107 22.386 -9.692 3.258 1.00 0.00 C ATOM 576 O GLU A 107 22.716 -10.365 2.282 1.00 0.00 O ATOM 577 CB GLU A 107 20.963 -10.744 5.015 1.00 0.00 C ATOM 578 CG GLU A 107 21.006 -11.608 6.277 1.00 0.00 C ATOM 579 CD GLU A 107 19.590 -11.972 6.706 1.00 0.00 C ATOM 580 OE1 GLU A 107 18.660 -11.459 6.106 1.00 0.00 O ATOM 581 OE2 GLU A 107 19.456 -12.757 7.630 1.00 0.00 O ATOM 0 H GLU A 107 22.169 -9.035 6.320 1.00 0.00 H new ATOM 0 HA GLU A 107 23.046 -11.160 4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 107 20.326 -9.875 5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 107 20.528 -11.308 4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 107 21.582 -12.514 6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 107 21.511 -11.070 7.079 1.00 0.00 H new ATOM 588 N GLU A 108 22.008 -8.422 3.166 1.00 0.00 N ATOM 589 CA GLU A 108 21.965 -7.747 1.877 1.00 0.00 C ATOM 590 C GLU A 108 23.362 -7.670 1.270 1.00 0.00 C ATOM 591 O GLU A 108 23.547 -7.918 0.079 1.00 0.00 O ATOM 592 CB GLU A 108 21.391 -6.334 2.052 1.00 0.00 C ATOM 593 CG GLU A 108 21.306 -5.623 0.696 1.00 0.00 C ATOM 594 CD GLU A 108 20.359 -6.377 -0.232 1.00 0.00 C ATOM 595 OE1 GLU A 108 19.522 -7.106 0.276 1.00 0.00 O ATOM 596 OE2 GLU A 108 20.485 -6.217 -1.435 1.00 0.00 O ATOM 0 H GLU A 108 21.730 -7.845 3.960 1.00 0.00 H new ATOM 0 HA GLU A 108 21.324 -8.315 1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 108 20.401 -6.390 2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 108 22.020 -5.760 2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 108 20.955 -4.600 0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 108 22.297 -5.562 0.246 1.00 0.00 H new ATOM 603 N LEU A 109 24.341 -7.327 2.097 1.00 0.00 N ATOM 604 CA LEU A 109 25.716 -7.222 1.627 1.00 0.00 C ATOM 605 C LEU A 109 26.228 -8.580 1.169 1.00 0.00 C ATOM 606 O LEU A 109 26.929 -8.685 0.163 1.00 0.00 O ATOM 607 CB LEU A 109 26.603 -6.688 2.754 1.00 0.00 C ATOM 608 CG LEU A 109 26.269 -5.212 3.025 1.00 0.00 C ATOM 609 CD1 LEU A 109 26.911 -4.790 4.349 1.00 0.00 C ATOM 610 CD2 LEU A 109 26.807 -4.313 1.891 1.00 0.00 C ATOM 0 H LEU A 109 24.211 -7.119 3.087 1.00 0.00 H new ATOM 0 HA LEU A 109 25.747 -6.535 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 109 26.451 -7.277 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 109 27.653 -6.788 2.481 1.00 0.00 H new ATOM 0 HG LEU A 109 25.186 -5.100 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 109 26.679 -3.744 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 109 26.520 -5.409 5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 109 27.992 -4.916 4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 109 26.560 -3.273 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 109 27.889 -4.422 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 109 26.352 -4.609 0.946 1.00 0.00 H new ATOM 622 N LEU A 110 25.869 -9.619 1.909 1.00 0.00 N ATOM 623 CA LEU A 110 26.299 -10.962 1.563 1.00 0.00 C ATOM 624 C LEU A 110 25.746 -11.365 0.201 1.00 0.00 C ATOM 625 O LEU A 110 26.456 -11.946 -0.619 1.00 0.00 O ATOM 626 CB LEU A 110 25.825 -11.958 2.629 1.00 0.00 C ATOM 627 CG LEU A 110 26.289 -13.379 2.272 1.00 0.00 C ATOM 628 CD1 LEU A 110 27.829 -13.432 2.200 1.00 0.00 C ATOM 629 CD2 LEU A 110 25.781 -14.355 3.340 1.00 0.00 C ATOM 0 H LEU A 110 25.287 -9.558 2.744 1.00 0.00 H new ATOM 0 HA LEU A 110 27.388 -10.975 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 110 26.220 -11.673 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 110 24.738 -11.931 2.705 1.00 0.00 H new ATOM 0 HG LEU A 110 25.886 -13.659 1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 110 28.147 -14.443 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 110 28.182 -12.739 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 110 28.248 -13.152 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 110 26.106 -15.366 3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 110 26.183 -14.071 4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 110 24.692 -14.323 3.374 1.00 0.00 H new ATOM 641 N ARG A 111 24.473 -11.064 -0.028 1.00 0.00 N ATOM 642 CA ARG A 111 23.835 -11.417 -1.290 1.00 0.00 C ATOM 643 C ARG A 111 24.556 -10.751 -2.455 1.00 0.00 C ATOM 644 O ARG A 111 24.811 -11.380 -3.482 1.00 0.00 O ATOM 645 CB ARG A 111 22.370 -10.977 -1.270 1.00 0.00 C ATOM 646 CG ARG A 111 21.682 -11.412 -2.566 1.00 0.00 C ATOM 647 CD ARG A 111 20.206 -11.017 -2.519 1.00 0.00 C ATOM 648 NE ARG A 111 19.523 -11.748 -1.458 1.00 0.00 N ATOM 649 CZ ARG A 111 19.100 -12.994 -1.646 1.00 0.00 C ATOM 650 NH1 ARG A 111 19.296 -13.582 -2.794 1.00 0.00 N ATOM 651 NH2 ARG A 111 18.490 -13.628 -0.685 1.00 0.00 N ATOM 0 H ARG A 111 23.868 -10.581 0.636 1.00 0.00 H new ATOM 0 HA ARG A 111 23.887 -12.498 -1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 111 21.861 -11.415 -0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 111 22.307 -9.894 -1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 111 22.167 -10.944 -3.422 1.00 0.00 H new ATOM 0 HG3 ARG A 111 21.777 -12.490 -2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 111 20.114 -9.944 -2.349 1.00 0.00 H new ATOM 0 HD3 ARG A 111 19.734 -11.229 -3.479 1.00 0.00 H new ATOM 0 HE ARG A 111 19.367 -11.296 -0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 111 19.773 -13.086 -3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 111 18.972 -14.538 -2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 111 18.337 -13.168 0.212 1.00 0.00 H new ATOM 0 HH22 ARG A 111 18.166 -14.584 -0.830 1.00 0.00 H new ATOM 665 N LYS A 112 24.888 -9.477 -2.287 1.00 0.00 N ATOM 666 CA LYS A 112 25.586 -8.741 -3.330 1.00 0.00 C ATOM 667 C LYS A 112 26.953 -9.358 -3.601 1.00 0.00 C ATOM 668 O LYS A 112 27.397 -9.426 -4.747 1.00 0.00 O ATOM 669 CB LYS A 112 25.751 -7.276 -2.927 1.00 0.00 C ATOM 670 CG LYS A 112 24.386 -6.583 -2.955 1.00 0.00 C ATOM 671 CD LYS A 112 24.554 -5.110 -2.576 1.00 0.00 C ATOM 672 CE LYS A 112 23.197 -4.409 -2.636 1.00 0.00 C ATOM 673 NZ LYS A 112 23.362 -2.976 -2.264 1.00 0.00 N ATOM 0 H LYS A 112 24.687 -8.937 -1.445 1.00 0.00 H new ATOM 0 HA LYS A 112 24.990 -8.795 -4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 112 26.185 -7.209 -1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 112 26.439 -6.775 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 112 23.944 -6.666 -3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 112 23.703 -7.073 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 112 24.974 -5.027 -1.573 1.00 0.00 H new ATOM 0 HD3 LYS A 112 25.255 -4.626 -3.256 1.00 0.00 H new ATOM 0 HE2 LYS A 112 22.778 -4.490 -3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 112 22.495 -4.894 -1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 22.439 -2.498 -2.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 23.744 -2.910 -1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 24.018 -2.518 -2.928 1.00 0.00 H new ATOM 687 N ALA A 113 27.621 -9.796 -2.540 1.00 0.00 N ATOM 688 CA ALA A 113 28.941 -10.396 -2.679 1.00 0.00 C ATOM 689 C ALA A 113 28.873 -11.648 -3.551 1.00 0.00 C ATOM 690 O ALA A 113 29.743 -11.877 -4.393 1.00 0.00 O ATOM 691 CB ALA A 113 29.488 -10.767 -1.299 1.00 0.00 C ATOM 0 H ALA A 113 27.273 -9.747 -1.582 1.00 0.00 H new ATOM 0 HA ALA A 113 29.602 -9.671 -3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 113 30.476 -11.216 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 113 29.562 -9.870 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 113 28.816 -11.480 -0.821 1.00 0.00 H new ATOM 697 N ILE A 114 27.835 -12.450 -3.351 1.00 0.00 N ATOM 698 CA ILE A 114 27.666 -13.671 -4.134 1.00 0.00 C ATOM 699 C ILE A 114 27.451 -13.338 -5.605 1.00 0.00 C ATOM 700 O ILE A 114 28.018 -13.981 -6.489 1.00 0.00 O ATOM 701 CB ILE A 114 26.473 -14.474 -3.602 1.00 0.00 C ATOM 702 CG1 ILE A 114 26.752 -14.932 -2.159 1.00 0.00 C ATOM 703 CG2 ILE A 114 26.220 -15.690 -4.498 1.00 0.00 C ATOM 704 CD1 ILE A 114 28.002 -15.830 -2.077 1.00 0.00 C ATOM 0 H ILE A 114 27.103 -12.281 -2.661 1.00 0.00 H new ATOM 0 HA ILE A 114 28.572 -14.270 -4.041 1.00 0.00 H new ATOM 0 HB ILE A 114 25.586 -13.840 -3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 114 26.888 -14.059 -1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 114 25.888 -15.475 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 114 25.371 -16.255 -4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 114 26.004 -15.356 -5.513 1.00 0.00 H new ATOM 0 HG23 ILE A 114 27.105 -16.326 -4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 114 28.165 -16.132 -1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 114 27.855 -16.716 -2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 114 28.871 -15.278 -2.435 1.00 0.00 H new ATOM 716 N ALA A 115 26.625 -12.330 -5.865 1.00 0.00 N ATOM 717 CA ALA A 115 26.345 -11.927 -7.236 1.00 0.00 C ATOM 718 C ALA A 115 27.628 -11.475 -7.932 1.00 0.00 C ATOM 719 O ALA A 115 27.860 -11.800 -9.097 1.00 0.00 O ATOM 720 CB ALA A 115 25.327 -10.788 -7.243 1.00 0.00 C ATOM 0 H ALA A 115 26.143 -11.783 -5.152 1.00 0.00 H new ATOM 0 HA ALA A 115 25.936 -12.782 -7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 115 25.121 -10.490 -8.271 1.00 0.00 H new ATOM 0 HB2 ALA A 115 24.404 -11.122 -6.770 1.00 0.00 H new ATOM 0 HB3 ALA A 115 25.729 -9.937 -6.693 1.00 0.00 H new ATOM 726 N GLU A 116 28.458 -10.731 -7.212 1.00 0.00 N ATOM 727 CA GLU A 116 29.715 -10.249 -7.773 1.00 0.00 C ATOM 728 C GLU A 116 30.641 -11.416 -8.097 1.00 0.00 C ATOM 729 O GLU A 116 31.326 -11.414 -9.119 1.00 0.00 O ATOM 730 CB GLU A 116 30.399 -9.309 -6.780 1.00 0.00 C ATOM 731 CG GLU A 116 29.585 -8.021 -6.650 1.00 0.00 C ATOM 732 CD GLU A 116 29.699 -7.198 -7.928 1.00 0.00 C ATOM 733 OE1 GLU A 116 30.597 -7.472 -8.707 1.00 0.00 O ATOM 734 OE2 GLU A 116 28.890 -6.302 -8.108 1.00 0.00 O ATOM 0 H GLU A 116 28.286 -10.450 -6.247 1.00 0.00 H new ATOM 0 HA GLU A 116 29.499 -9.709 -8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 116 30.490 -9.794 -5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 116 31.410 -9.080 -7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 116 28.540 -8.260 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 116 29.943 -7.439 -5.801 1.00 0.00 H new ATOM 741 N SER A 117 30.657 -12.413 -7.221 1.00 0.00 N ATOM 742 CA SER A 117 31.506 -13.583 -7.423 1.00 0.00 C ATOM 743 C SER A 117 31.121 -14.304 -8.710 1.00 0.00 C ATOM 744 O SER A 117 31.984 -14.754 -9.465 1.00 0.00 O ATOM 745 CB SER A 117 31.365 -14.539 -6.239 1.00 0.00 C ATOM 746 OG SER A 117 32.201 -15.670 -6.446 1.00 0.00 O ATOM 0 H SER A 117 30.096 -12.437 -6.369 1.00 0.00 H new ATOM 0 HA SER A 117 32.541 -13.251 -7.500 1.00 0.00 H new ATOM 0 HB2 SER A 117 31.641 -14.033 -5.314 1.00 0.00 H new ATOM 0 HB3 SER A 117 30.327 -14.854 -6.133 1.00 0.00 H new ATOM 0 HG SER A 117 32.114 -16.284 -5.687 1.00 0.00 H new ATOM 752 N LEU A 118 29.823 -14.416 -8.953 1.00 0.00 N ATOM 753 CA LEU A 118 29.336 -15.089 -10.153 1.00 0.00 C ATOM 754 C LEU A 118 29.735 -14.312 -11.405 1.00 0.00 C ATOM 755 O LEU A 118 30.045 -14.901 -12.437 1.00 0.00 O ATOM 756 CB LEU A 118 27.814 -15.221 -10.090 1.00 0.00 C ATOM 757 CG LEU A 118 27.420 -16.160 -8.940 1.00 0.00 C ATOM 758 CD1 LEU A 118 25.895 -16.154 -8.785 1.00 0.00 C ATOM 759 CD2 LEU A 118 27.917 -17.597 -9.215 1.00 0.00 C ATOM 0 H LEU A 118 29.091 -14.053 -8.342 1.00 0.00 H new ATOM 0 HA LEU A 118 29.785 -16.081 -10.202 1.00 0.00 H new ATOM 0 HB2 LEU A 118 27.361 -14.241 -9.943 1.00 0.00 H new ATOM 0 HB3 LEU A 118 27.434 -15.609 -11.035 1.00 0.00 H new ATOM 0 HG LEU A 118 27.885 -15.809 -8.019 1.00 0.00 H new ATOM 0 HD11 LEU A 118 25.610 -16.819 -7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 118 25.556 -15.142 -8.564 1.00 0.00 H new ATOM 0 HD13 LEU A 118 25.434 -16.497 -9.711 1.00 0.00 H new ATOM 0 HD21 LEU A 118 27.628 -18.246 -8.389 1.00 0.00 H new ATOM 0 HD22 LEU A 118 27.472 -17.965 -10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 118 29.003 -17.594 -9.311 1.00 0.00 H new ATOM 771 N ASN A 119 29.715 -12.984 -11.304 1.00 0.00 N ATOM 772 CA ASN A 119 30.071 -12.128 -12.435 1.00 0.00 C ATOM 773 C ASN A 119 31.556 -11.774 -12.391 1.00 0.00 C ATOM 774 O ASN A 119 32.059 -11.053 -13.252 1.00 0.00 O ATOM 775 CB ASN A 119 29.234 -10.849 -12.394 1.00 0.00 C ATOM 776 CG ASN A 119 27.751 -11.198 -12.465 1.00 0.00 C ATOM 777 OD1 ASN A 119 26.994 -10.885 -11.546 1.00 0.00 O ATOM 778 ND2 ASN A 119 27.285 -11.832 -13.508 1.00 0.00 N ATOM 0 H ASN A 119 29.458 -12.479 -10.456 1.00 0.00 H new ATOM 0 HA ASN A 119 29.868 -12.667 -13.360 1.00 0.00 H new ATOM 0 HB2 ASN A 119 29.443 -10.296 -11.478 1.00 0.00 H new ATOM 0 HB3 ASN A 119 29.504 -10.200 -13.227 1.00 0.00 H new ATOM 0 HD21 ASN A 119 26.294 -12.068 -13.561 1.00 0.00 H new ATOM 0 HD22 ASN A 119 27.912 -12.091 -14.269 1.00 0.00 H new ATOM 785 N SER A 120 32.253 -12.291 -11.382 1.00 0.00 N ATOM 786 CA SER A 120 33.684 -12.033 -11.234 1.00 0.00 C ATOM 787 C SER A 120 34.489 -12.869 -12.225 1.00 0.00 C ATOM 788 O SER A 120 34.104 -13.987 -12.567 1.00 0.00 O ATOM 789 CB SER A 120 34.137 -12.343 -9.809 1.00 0.00 C ATOM 790 OG SER A 120 35.548 -12.190 -9.722 1.00 0.00 O ATOM 0 H SER A 120 31.853 -12.888 -10.658 1.00 0.00 H new ATOM 0 HA SER A 120 33.860 -10.978 -11.442 1.00 0.00 H new ATOM 0 HB2 SER A 120 33.643 -11.674 -9.104 1.00 0.00 H new ATOM 0 HB3 SER A 120 33.852 -13.359 -9.537 1.00 0.00 H new ATOM 0 HG SER A 120 35.843 -12.387 -8.808 1.00 0.00 H new ATOM 796 N CYS A 121 35.610 -12.316 -12.682 1.00 0.00 N ATOM 797 CA CYS A 121 36.464 -13.015 -13.636 1.00 0.00 C ATOM 798 C CYS A 121 37.259 -14.107 -12.942 1.00 0.00 C ATOM 799 O CYS A 121 37.346 -14.144 -11.715 1.00 0.00 O ATOM 800 CB CYS A 121 37.428 -12.036 -14.302 1.00 0.00 C ATOM 801 SG CYS A 121 36.491 -10.885 -15.335 1.00 0.00 S ATOM 0 H CYS A 121 35.946 -11.392 -12.409 1.00 0.00 H new ATOM 0 HA CYS A 121 35.824 -13.466 -14.394 1.00 0.00 H new ATOM 0 HB2 CYS A 121 37.990 -11.489 -13.545 1.00 0.00 H new ATOM 0 HB3 CYS A 121 38.154 -12.578 -14.908 1.00 0.00 H new ATOM 0 HG CYS A 121 37.308 -10.048 -15.903 1.00 0.00 H new ATOM 807 N ARG A 122 37.825 -15.008 -13.731 1.00 0.00 N ATOM 808 CA ARG A 122 38.589 -16.108 -13.166 1.00 0.00 C ATOM 809 C ARG A 122 39.876 -15.602 -12.503 1.00 0.00 C ATOM 810 O ARG A 122 40.433 -14.590 -12.928 1.00 0.00 O ATOM 811 CB ARG A 122 38.944 -17.124 -14.247 1.00 0.00 C ATOM 812 CG ARG A 122 37.666 -17.786 -14.754 1.00 0.00 C ATOM 813 CD ARG A 122 38.009 -18.757 -15.884 1.00 0.00 C ATOM 814 NE ARG A 122 36.798 -19.408 -16.365 1.00 0.00 N ATOM 815 CZ ARG A 122 35.991 -18.801 -17.230 1.00 0.00 C ATOM 816 NH1 ARG A 122 36.277 -17.602 -17.657 1.00 0.00 N ATOM 817 NH2 ARG A 122 34.911 -19.402 -17.648 1.00 0.00 N ATOM 0 H ARG A 122 37.771 -15.000 -14.750 1.00 0.00 H new ATOM 0 HA ARG A 122 37.967 -16.587 -12.409 1.00 0.00 H new ATOM 0 HB2 ARG A 122 39.463 -16.631 -15.069 1.00 0.00 H new ATOM 0 HB3 ARG A 122 39.623 -17.877 -13.846 1.00 0.00 H new ATOM 0 HG2 ARG A 122 37.172 -18.318 -13.941 1.00 0.00 H new ATOM 0 HG3 ARG A 122 36.968 -17.028 -15.110 1.00 0.00 H new ATOM 0 HD2 ARG A 122 38.493 -18.221 -16.701 1.00 0.00 H new ATOM 0 HD3 ARG A 122 38.718 -19.505 -15.529 1.00 0.00 H new ATOM 0 HE ARG A 122 36.565 -20.344 -16.033 1.00 0.00 H new ATOM 0 HH11 ARG A 122 37.119 -17.131 -17.327 1.00 0.00 H new ATOM 0 HH12 ARG A 122 35.658 -17.136 -18.321 1.00 0.00 H new ATOM 0 HH21 ARG A 122 34.685 -20.338 -17.311 1.00 0.00 H new ATOM 0 HH22 ARG A 122 34.292 -18.936 -18.312 1.00 0.00 H new ATOM 831 N PRO A 123 40.374 -16.282 -11.483 1.00 0.00 N ATOM 832 CA PRO A 123 41.637 -15.868 -10.785 1.00 0.00 C ATOM 833 C PRO A 123 42.816 -15.728 -11.756 1.00 0.00 C ATOM 834 O PRO A 123 42.915 -16.462 -12.740 1.00 0.00 O ATOM 835 CB PRO A 123 41.900 -17.017 -9.792 1.00 0.00 C ATOM 836 CG PRO A 123 40.566 -17.638 -9.554 1.00 0.00 C ATOM 837 CD PRO A 123 39.801 -17.504 -10.869 1.00 0.00 C ATOM 0 HA PRO A 123 41.534 -14.893 -10.309 1.00 0.00 H new ATOM 0 HB2 PRO A 123 42.604 -17.740 -10.204 1.00 0.00 H new ATOM 0 HB3 PRO A 123 42.333 -16.644 -8.864 1.00 0.00 H new ATOM 0 HG2 PRO A 123 40.668 -18.684 -9.266 1.00 0.00 H new ATOM 0 HG3 PRO A 123 40.040 -17.134 -8.743 1.00 0.00 H new ATOM 0 HD2 PRO A 123 39.943 -18.377 -11.506 1.00 0.00 H new ATOM 0 HD3 PRO A 123 38.729 -17.403 -10.701 1.00 0.00 H new ATOM 845 N SER A 124 43.708 -14.781 -11.468 1.00 0.00 N ATOM 846 CA SER A 124 44.875 -14.556 -12.315 1.00 0.00 C ATOM 847 C SER A 124 45.819 -15.753 -12.257 1.00 0.00 C ATOM 848 O SER A 124 45.930 -16.419 -11.227 1.00 0.00 O ATOM 849 CB SER A 124 45.618 -13.303 -11.853 1.00 0.00 C ATOM 850 OG SER A 124 44.772 -12.172 -12.011 1.00 0.00 O ATOM 0 H SER A 124 43.645 -14.162 -10.660 1.00 0.00 H new ATOM 0 HA SER A 124 44.534 -14.423 -13.342 1.00 0.00 H new ATOM 0 HB2 SER A 124 45.916 -13.406 -10.810 1.00 0.00 H new ATOM 0 HB3 SER A 124 46.531 -13.173 -12.433 1.00 0.00 H new ATOM 0 HG SER A 124 45.244 -11.366 -11.714 1.00 0.00 H new ATOM 856 N ASP A 125 46.497 -16.025 -13.368 1.00 0.00 N ATOM 857 CA ASP A 125 47.428 -17.145 -13.427 1.00 0.00 C ATOM 858 C ASP A 125 48.586 -16.934 -12.458 1.00 0.00 C ATOM 859 O ASP A 125 49.180 -15.857 -12.407 1.00 0.00 O ATOM 860 CB ASP A 125 47.972 -17.293 -14.850 1.00 0.00 C ATOM 861 CG ASP A 125 46.884 -17.835 -15.773 1.00 0.00 C ATOM 862 OD1 ASP A 125 45.884 -18.313 -15.262 1.00 0.00 O ATOM 863 OD2 ASP A 125 47.066 -17.760 -16.976 1.00 0.00 O ATOM 0 H ASP A 125 46.420 -15.490 -14.233 1.00 0.00 H new ATOM 0 HA ASP A 125 46.895 -18.052 -13.143 1.00 0.00 H new ATOM 0 HB2 ASP A 125 48.323 -16.328 -15.216 1.00 0.00 H new ATOM 0 HB3 ASP A 125 48.830 -17.966 -14.852 1.00 0.00 H new ATOM 868 N ALA A 126 48.905 -17.975 -11.693 1.00 0.00 N ATOM 869 CA ALA A 126 50.000 -17.901 -10.733 1.00 0.00 C ATOM 870 C ALA A 126 51.332 -17.705 -11.448 1.00 0.00 C ATOM 871 O ALA A 126 52.219 -17.009 -10.952 1.00 0.00 O ATOM 872 CB ALA A 126 50.051 -19.180 -9.894 1.00 0.00 C ATOM 0 H ALA A 126 48.424 -18.874 -11.719 1.00 0.00 H new ATOM 0 HA ALA A 126 49.824 -17.046 -10.080 1.00 0.00 H new ATOM 0 HB1 ALA A 126 50.872 -19.114 -9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 126 49.111 -19.300 -9.355 1.00 0.00 H new ATOM 0 HB3 ALA A 126 50.206 -20.038 -10.548 1.00 0.00 H new ATOM 878 N SER A 127 51.468 -18.329 -12.614 1.00 0.00 N ATOM 879 CA SER A 127 52.700 -18.223 -13.387 1.00 0.00 C ATOM 880 C SER A 127 52.779 -16.876 -14.095 1.00 0.00 C ATOM 881 O SER A 127 53.854 -16.449 -14.513 1.00 0.00 O ATOM 882 CB SER A 127 52.765 -19.347 -14.422 1.00 0.00 C ATOM 883 OG SER A 127 54.013 -19.284 -15.101 1.00 0.00 O ATOM 0 H SER A 127 50.746 -18.909 -13.042 1.00 0.00 H new ATOM 0 HA SER A 127 53.542 -18.309 -12.701 1.00 0.00 H new ATOM 0 HB2 SER A 127 52.651 -20.315 -13.933 1.00 0.00 H new ATOM 0 HB3 SER A 127 51.945 -19.251 -15.133 1.00 0.00 H new ATOM 0 HG SER A 127 54.293 -18.349 -15.185 1.00 0.00 H new ATOM 889 N ALA A 128 51.633 -16.213 -14.225 1.00 0.00 N ATOM 890 CA ALA A 128 51.576 -14.910 -14.883 1.00 0.00 C ATOM 891 C ALA A 128 51.610 -15.073 -16.402 1.00 0.00 C ATOM 892 O ALA A 128 51.873 -14.118 -17.132 1.00 0.00 O ATOM 893 CB ALA A 128 52.749 -14.029 -14.419 1.00 0.00 C ATOM 0 H ALA A 128 50.734 -16.555 -13.885 1.00 0.00 H new ATOM 0 HA ALA A 128 50.639 -14.425 -14.608 1.00 0.00 H new ATOM 0 HB1 ALA A 128 52.696 -13.061 -14.916 1.00 0.00 H new ATOM 0 HB2 ALA A 128 52.692 -13.886 -13.340 1.00 0.00 H new ATOM 0 HB3 ALA A 128 53.691 -14.515 -14.672 1.00 0.00 H new ATOM 899 N THR A 129 51.346 -16.289 -16.868 1.00 0.00 N ATOM 900 CA THR A 129 51.352 -16.561 -18.300 1.00 0.00 C ATOM 901 C THR A 129 50.096 -16.000 -18.961 1.00 0.00 C ATOM 902 O THR A 129 48.982 -16.229 -18.492 1.00 0.00 O ATOM 903 CB THR A 129 51.428 -18.070 -18.541 1.00 0.00 C ATOM 904 OG1 THR A 129 51.579 -18.317 -19.930 1.00 0.00 O ATOM 905 CG2 THR A 129 50.146 -18.740 -18.037 1.00 0.00 C ATOM 0 H THR A 129 51.127 -17.094 -16.282 1.00 0.00 H new ATOM 0 HA THR A 129 52.224 -16.076 -18.739 1.00 0.00 H new ATOM 0 HB THR A 129 52.282 -18.480 -18.002 1.00 0.00 H new ATOM 0 HG1 THR A 129 51.630 -19.283 -20.087 1.00 0.00 H new ATOM 0 HG21 THR A 129 50.205 -19.814 -18.211 1.00 0.00 H new ATOM 0 HG22 THR A 129 50.032 -18.551 -16.970 1.00 0.00 H new ATOM 0 HG23 THR A 129 49.288 -18.332 -18.572 1.00 0.00 H new ATOM 913 N ARG A 130 50.286 -15.267 -20.052 1.00 0.00 N ATOM 914 CA ARG A 130 49.162 -14.681 -20.770 1.00 0.00 C ATOM 915 C ARG A 130 48.442 -15.741 -21.596 1.00 0.00 C ATOM 916 O ARG A 130 49.067 -16.658 -22.128 1.00 0.00 O ATOM 917 CB ARG A 130 49.655 -13.562 -21.689 1.00 0.00 C ATOM 918 CG ARG A 130 50.258 -12.437 -20.844 1.00 0.00 C ATOM 919 CD ARG A 130 50.756 -11.320 -21.762 1.00 0.00 C ATOM 920 NE ARG A 130 49.633 -10.710 -22.463 1.00 0.00 N ATOM 921 CZ ARG A 130 49.828 -9.818 -23.430 1.00 0.00 C ATOM 922 NH1 ARG A 130 51.041 -9.472 -23.762 1.00 0.00 N ATOM 923 NH2 ARG A 130 48.806 -9.290 -24.045 1.00 0.00 N ATOM 0 H ARG A 130 51.201 -15.066 -20.456 1.00 0.00 H new ATOM 0 HA ARG A 130 48.464 -14.270 -20.040 1.00 0.00 H new ATOM 0 HB2 ARG A 130 50.400 -13.949 -22.384 1.00 0.00 H new ATOM 0 HB3 ARG A 130 48.829 -13.179 -22.288 1.00 0.00 H new ATOM 0 HG2 ARG A 130 49.511 -12.048 -20.152 1.00 0.00 H new ATOM 0 HG3 ARG A 130 51.081 -12.821 -20.242 1.00 0.00 H new ATOM 0 HD2 ARG A 130 51.283 -10.566 -21.177 1.00 0.00 H new ATOM 0 HD3 ARG A 130 51.470 -11.721 -22.482 1.00 0.00 H new ATOM 0 HE ARG A 130 48.681 -10.972 -22.207 1.00 0.00 H new ATOM 0 HH11 ARG A 130 51.839 -9.885 -23.280 1.00 0.00 H new ATOM 0 HH12 ARG A 130 51.191 -8.788 -24.504 1.00 0.00 H new ATOM 0 HH21 ARG A 130 47.858 -9.561 -23.784 1.00 0.00 H new ATOM 0 HH22 ARG A 130 48.955 -8.606 -24.787 1.00 0.00 H new ATOM 937 N SER A 131 47.123 -15.609 -21.701 1.00 0.00 N ATOM 938 CA SER A 131 46.328 -16.562 -22.467 1.00 0.00 C ATOM 939 C SER A 131 44.977 -15.958 -22.838 1.00 0.00 C ATOM 940 O SER A 131 44.953 -15.094 -23.698 1.00 0.00 O ATOM 941 CB SER A 131 46.112 -17.837 -21.652 1.00 0.00 C ATOM 942 OG SER A 131 45.564 -18.845 -22.493 1.00 0.00 O ATOM 943 OXT SER A 131 43.987 -16.369 -22.255 1.00 0.00 O ATOM 0 H SER A 131 46.586 -14.857 -21.269 1.00 0.00 H new ATOM 0 HA SER A 131 46.869 -16.804 -23.382 1.00 0.00 H new ATOM 0 HB2 SER A 131 47.057 -18.176 -21.228 1.00 0.00 H new ATOM 0 HB3 SER A 131 45.440 -17.639 -20.817 1.00 0.00 H new ATOM 0 HG SER A 131 45.426 -19.665 -21.974 1.00 0.00 H new TER 949 SER A 131