USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 788 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 CYS SG : rot 180:sc= 0.44 USER MOD Set 1.2: A 9 ASN :FLIP amide:sc= -0.786 F(o=-2.4,f=-1.9) USER MOD Set 1.3: A 33 SER OG : rot 170:sc= -1.51 USER MOD Single : A 1 CYS N :NH3+ -134:sc= 0.822 (180deg=-0.025) USER MOD Single : A 1 CYS SG : rot -120:sc= -0.089 USER MOD Single : A 11 GLN :FLIP amide:sc= 0.827 F(o=-1.1,f=0.83) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 17 SER OG : rot 1:sc= 1.6 USER MOD Single : A 21 TYR OH : rot 60:sc= -0.368 USER MOD Single : A 22 GLN : amide:sc= -0.275 X(o=-0.27,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 160:sc= -1.52! USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0.326 (180deg=0.262) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= -0.0383 (180deg=-0.312) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot -47:sc= -4.57! USER MOD Single : A 45 SER OG : rot -143:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot -43:sc= -1.77 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -156:sc= -0.827! (180deg=-1.98!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= -0.0224 (180deg=-0.178) USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 62 CYS SG : rot 97:sc= -4.63! USER MOD Single : A 64 ASN : amide:sc= -0.489 X(o=-0.49,f=0) USER MOD Single : A 65 SER OG : rot 50:sc= 0.374 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 49:sc= -0.0627 USER MOD Single : A 78 LYS NZ :NH3+ -137:sc= -4.47! (180deg=-8.44!) USER MOD Single : A 80 LYS NZ :NH3+ -155:sc= -0.0326 (180deg=-0.327) USER MOD Single : A 82 CYS SG : rot -120:sc= -1.99 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 0.716 14.057 -3.713 1.00 0.00 N ATOM 2 CA CYS A 1 2.116 13.653 -4.035 1.00 0.00 C ATOM 3 C CYS A 1 2.159 12.247 -4.625 1.00 0.00 C ATOM 4 O CYS A 1 1.233 11.459 -4.439 1.00 0.00 O ATOM 5 CB CYS A 1 2.967 13.722 -2.762 1.00 0.00 C ATOM 6 SG CYS A 1 4.439 14.759 -2.917 1.00 0.00 S ATOM 0 H1 CYS A 1 0.545 15.022 -4.060 1.00 0.00 H new ATOM 0 H2 CYS A 1 0.051 13.401 -4.171 1.00 0.00 H new ATOM 0 H3 CYS A 1 0.575 14.030 -2.683 1.00 0.00 H new ATOM 0 HA CYS A 1 2.517 14.339 -4.781 1.00 0.00 H new ATOM 0 HB2 CYS A 1 2.352 14.102 -1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 1 3.273 12.713 -2.487 1.00 0.00 H new ATOM 0 HG CYS A 1 5.501 14.041 -2.699 1.00 0.00 H new ATOM 14 N ILE A 2 3.234 11.940 -5.346 1.00 0.00 N ATOM 15 CA ILE A 2 3.379 10.639 -5.965 1.00 0.00 C ATOM 16 C ILE A 2 3.848 9.586 -4.968 1.00 0.00 C ATOM 17 O ILE A 2 4.871 9.756 -4.309 1.00 0.00 O ATOM 18 CB ILE A 2 4.357 10.697 -7.153 1.00 0.00 C ATOM 19 CG1 ILE A 2 3.907 11.760 -8.158 1.00 0.00 C ATOM 20 CG2 ILE A 2 4.461 9.337 -7.818 1.00 0.00 C ATOM 21 CD1 ILE A 2 4.793 11.854 -9.381 1.00 0.00 C ATOM 0 H ILE A 2 4.013 12.578 -5.512 1.00 0.00 H new ATOM 0 HA ILE A 2 2.392 10.352 -6.328 1.00 0.00 H new ATOM 0 HB ILE A 2 5.344 10.972 -6.782 1.00 0.00 H new ATOM 0 HG12 ILE A 2 2.888 11.540 -8.475 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.884 12.730 -7.662 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.156 9.394 -8.656 1.00 0.00 H new ATOM 0 HG22 ILE A 2 4.823 8.605 -7.096 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.479 9.033 -8.181 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.412 12.628 -10.048 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.809 12.105 -9.076 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.797 10.896 -9.902 1.00 0.00 H new ATOM 33 N LEU A 3 3.091 8.494 -4.862 1.00 0.00 N ATOM 34 CA LEU A 3 3.438 7.419 -3.939 1.00 0.00 C ATOM 35 C LEU A 3 3.728 6.110 -4.673 1.00 0.00 C ATOM 36 O LEU A 3 3.332 5.899 -5.842 1.00 0.00 O ATOM 37 CB LEU A 3 2.329 7.213 -2.898 1.00 0.00 C ATOM 38 CG LEU A 3 2.420 8.080 -1.628 1.00 0.00 C ATOM 39 CD1 LEU A 3 1.946 7.295 -0.415 1.00 0.00 C ATOM 40 CD2 LEU A 3 3.837 8.588 -1.394 1.00 0.00 C ATOM 0 H LEU A 3 2.240 8.333 -5.401 1.00 0.00 H new ATOM 0 HA LEU A 3 4.351 7.719 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.369 7.406 -3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.330 6.165 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 3 1.772 8.944 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.017 7.922 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.910 6.989 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.571 6.411 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.861 9.195 -0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.513 7.741 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.152 9.192 -2.245 1.00 0.00 H new ATOM 52 N ARG A 4 4.423 5.221 -3.969 1.00 0.00 N ATOM 53 CA ARG A 4 4.784 3.940 -4.526 1.00 0.00 C ATOM 54 C ARG A 4 3.895 2.848 -3.947 1.00 0.00 C ATOM 55 O ARG A 4 3.781 2.683 -2.707 1.00 0.00 O ATOM 56 CB ARG A 4 6.265 3.660 -4.289 1.00 0.00 C ATOM 57 CG ARG A 4 6.972 3.045 -5.485 1.00 0.00 C ATOM 58 CD ARG A 4 6.655 1.564 -5.622 1.00 0.00 C ATOM 59 NE ARG A 4 7.805 0.795 -6.091 1.00 0.00 N ATOM 60 CZ ARG A 4 8.359 0.949 -7.289 1.00 0.00 C ATOM 61 NH1 ARG A 4 7.877 1.847 -8.138 1.00 0.00 N ATOM 62 NH2 ARG A 4 9.399 0.206 -7.641 1.00 0.00 N ATOM 0 H ARG A 4 4.743 5.373 -3.013 1.00 0.00 H new ATOM 0 HA ARG A 4 4.624 3.955 -5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.764 4.592 -4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.366 2.990 -3.435 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.672 3.567 -6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 4 8.049 3.179 -5.380 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.327 1.174 -4.658 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.825 1.434 -6.317 1.00 0.00 H new ATOM 0 HE ARG A 4 8.206 0.099 -5.462 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.078 2.423 -7.872 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.305 1.962 -9.057 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.775 -0.485 -6.992 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.823 0.325 -8.561 1.00 0.00 H new ATOM 76 N PHE A 5 3.249 2.143 -4.881 1.00 0.00 N ATOM 77 CA PHE A 5 2.299 1.081 -4.585 1.00 0.00 C ATOM 78 C PHE A 5 2.896 -0.299 -4.851 1.00 0.00 C ATOM 79 O PHE A 5 3.467 -0.553 -5.908 1.00 0.00 O ATOM 80 CB PHE A 5 1.093 1.225 -5.541 1.00 0.00 C ATOM 81 CG PHE A 5 -0.133 1.915 -5.005 1.00 0.00 C ATOM 82 CD1 PHE A 5 -0.746 1.510 -3.843 1.00 0.00 C ATOM 83 CD2 PHE A 5 -0.668 2.975 -5.691 1.00 0.00 C ATOM 84 CE1 PHE A 5 -1.876 2.162 -3.370 1.00 0.00 C ATOM 85 CE2 PHE A 5 -1.792 3.635 -5.231 1.00 0.00 C ATOM 86 CZ PHE A 5 -2.396 3.227 -4.065 1.00 0.00 C ATOM 0 H PHE A 5 3.378 2.302 -5.880 1.00 0.00 H new ATOM 0 HA PHE A 5 2.021 1.166 -3.534 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.426 1.768 -6.425 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.802 0.227 -5.870 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.343 0.674 -3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.202 3.301 -6.609 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.347 1.832 -2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.195 4.469 -5.786 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.273 3.740 -3.698 1.00 0.00 H new ATOM 96 N ILE A 6 2.674 -1.200 -3.912 1.00 0.00 N ATOM 97 CA ILE A 6 3.090 -2.585 -4.037 1.00 0.00 C ATOM 98 C ILE A 6 1.853 -3.414 -3.756 1.00 0.00 C ATOM 99 O ILE A 6 1.077 -3.070 -2.872 1.00 0.00 O ATOM 100 CB ILE A 6 4.225 -2.983 -3.063 1.00 0.00 C ATOM 101 CG1 ILE A 6 5.581 -2.351 -3.449 1.00 0.00 C ATOM 102 CG2 ILE A 6 4.349 -4.498 -3.022 1.00 0.00 C ATOM 103 CD1 ILE A 6 5.629 -1.675 -4.807 1.00 0.00 C ATOM 0 H ILE A 6 2.197 -0.990 -3.035 1.00 0.00 H new ATOM 0 HA ILE A 6 3.499 -2.751 -5.034 1.00 0.00 H new ATOM 0 HB ILE A 6 3.964 -2.601 -2.076 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.849 -1.617 -2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.344 -3.129 -3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.148 -4.779 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.409 -4.931 -2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.579 -4.871 -4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.626 -1.267 -4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.399 -2.404 -5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.896 -0.868 -4.838 1.00 0.00 H new ATOM 115 N ALA A 7 1.626 -4.484 -4.499 1.00 0.00 N ATOM 116 CA ALA A 7 0.418 -5.263 -4.228 1.00 0.00 C ATOM 117 C ALA A 7 0.577 -6.757 -4.378 1.00 0.00 C ATOM 118 O ALA A 7 1.483 -7.233 -5.059 1.00 0.00 O ATOM 119 CB ALA A 7 -0.721 -4.744 -5.068 1.00 0.00 C ATOM 0 H ALA A 7 2.221 -4.824 -5.255 1.00 0.00 H new ATOM 0 HA ALA A 7 0.197 -5.121 -3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.619 -5.327 -4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.905 -3.697 -4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.464 -4.832 -6.124 1.00 0.00 H new ATOM 125 N CYS A 8 -0.326 -7.515 -3.753 1.00 0.00 N ATOM 126 CA CYS A 8 -0.275 -8.951 -3.880 1.00 0.00 C ATOM 127 C CYS A 8 1.018 -9.477 -3.293 1.00 0.00 C ATOM 128 O CYS A 8 1.712 -8.763 -2.567 1.00 0.00 O ATOM 129 CB CYS A 8 -0.396 -9.315 -5.371 1.00 0.00 C ATOM 130 SG CYS A 8 -1.063 -10.962 -5.704 1.00 0.00 S ATOM 0 H CYS A 8 -1.082 -7.157 -3.169 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.098 -9.409 -3.332 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.032 -8.576 -5.859 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.590 -9.239 -5.829 1.00 0.00 H new ATOM 0 HG CYS A 8 -1.120 -11.155 -6.988 1.00 0.00 H new ATOM 136 N ASN A 9 1.340 -10.720 -3.590 1.00 0.00 N ATOM 137 CA ASN A 9 2.554 -11.310 -3.054 1.00 0.00 C ATOM 138 C ASN A 9 3.774 -10.516 -3.508 1.00 0.00 C ATOM 139 O ASN A 9 4.616 -10.154 -2.684 1.00 0.00 O ATOM 140 CB ASN A 9 2.675 -12.786 -3.460 1.00 0.00 C ATOM 141 CG ASN A 9 3.208 -12.974 -4.862 1.00 0.00 C ATOM 142 OD1 ASN A 9 2.391 -12.645 -5.849 1.00 0.00 O flip ATOM 143 ND2 ASN A 9 4.344 -13.410 -5.056 1.00 0.00 N flip ATOM 0 H ASN A 9 0.789 -11.334 -4.190 1.00 0.00 H new ATOM 0 HA ASN A 9 2.504 -11.270 -1.966 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.332 -13.297 -2.756 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.696 -13.259 -3.384 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.940 -13.651 -4.264 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.688 -13.530 -6.009 1.00 0.00 H new ATOM 150 N GLY A 10 3.896 -10.237 -4.808 1.00 0.00 N ATOM 151 CA GLY A 10 5.054 -9.495 -5.266 1.00 0.00 C ATOM 152 C GLY A 10 4.763 -8.439 -6.327 1.00 0.00 C ATOM 153 O GLY A 10 5.709 -7.866 -6.875 1.00 0.00 O ATOM 0 H GLY A 10 3.230 -10.505 -5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.518 -9.008 -4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.783 -10.199 -5.666 1.00 0.00 H new ATOM 157 N GLN A 11 3.488 -8.147 -6.626 1.00 0.00 N ATOM 158 CA GLN A 11 3.190 -7.116 -7.633 1.00 0.00 C ATOM 159 C GLN A 11 4.028 -5.881 -7.311 1.00 0.00 C ATOM 160 O GLN A 11 4.348 -5.662 -6.133 1.00 0.00 O ATOM 161 CB GLN A 11 1.696 -6.805 -7.717 1.00 0.00 C ATOM 162 CG GLN A 11 0.906 -7.864 -8.468 1.00 0.00 C ATOM 163 CD GLN A 11 1.111 -7.779 -9.969 1.00 0.00 C ATOM 164 OE1 GLN A 11 2.187 -8.386 -10.456 1.00 0.00 O flip ATOM 165 NE2 GLN A 11 0.314 -7.169 -10.682 1.00 0.00 N flip ATOM 0 H GLN A 11 2.673 -8.591 -6.203 1.00 0.00 H new ATOM 0 HA GLN A 11 3.457 -7.484 -8.624 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.294 -6.708 -6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.559 -5.842 -8.209 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.204 -8.852 -8.118 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.154 -7.752 -8.241 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.500 -6.717 -10.266 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.468 -7.116 -11.689 1.00 0.00 H new ATOM 174 N THR A 12 4.193 -4.956 -8.265 1.00 0.00 N ATOM 175 CA THR A 12 4.820 -3.672 -7.954 1.00 0.00 C ATOM 176 C THR A 12 4.443 -2.600 -8.982 1.00 0.00 C ATOM 177 O THR A 12 4.693 -2.799 -10.166 1.00 0.00 O ATOM 178 CB THR A 12 6.332 -3.818 -7.810 1.00 0.00 C ATOM 179 OG1 THR A 12 6.826 -4.851 -8.645 1.00 0.00 O ATOM 180 CG2 THR A 12 6.739 -4.138 -6.386 1.00 0.00 C ATOM 0 H THR A 12 3.907 -5.071 -9.237 1.00 0.00 H new ATOM 0 HA THR A 12 4.434 -3.337 -6.991 1.00 0.00 H new ATOM 0 HB THR A 12 6.757 -2.858 -8.101 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.797 -4.924 -8.536 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.823 -4.233 -6.330 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.411 -3.336 -5.725 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.276 -5.075 -6.077 1.00 0.00 H new ATOM 188 N ARG A 13 3.930 -1.455 -8.561 1.00 0.00 N ATOM 189 CA ARG A 13 3.636 -0.376 -9.518 1.00 0.00 C ATOM 190 C ARG A 13 3.795 1.017 -8.873 1.00 0.00 C ATOM 191 O ARG A 13 3.738 1.131 -7.653 1.00 0.00 O ATOM 192 CB ARG A 13 2.264 -0.558 -10.186 1.00 0.00 C ATOM 193 CG ARG A 13 2.368 -0.773 -11.702 1.00 0.00 C ATOM 194 CD ARG A 13 3.133 -2.052 -12.033 1.00 0.00 C ATOM 195 NE ARG A 13 2.748 -2.633 -13.321 1.00 0.00 N ATOM 196 CZ ARG A 13 2.216 -3.851 -13.465 1.00 0.00 C ATOM 197 NH1 ARG A 13 1.984 -4.619 -12.404 1.00 0.00 N ATOM 198 NH2 ARG A 13 1.915 -4.307 -14.674 1.00 0.00 N ATOM 0 H ARG A 13 3.709 -1.241 -7.588 1.00 0.00 H new ATOM 0 HA ARG A 13 4.378 -0.440 -10.314 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.756 -1.411 -9.736 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.649 0.320 -9.989 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.368 -0.824 -12.133 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.869 0.081 -12.158 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.202 -1.837 -12.043 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.962 -2.785 -11.245 1.00 0.00 H new ATOM 0 HE ARG A 13 2.895 -2.073 -14.161 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.212 -4.280 -11.469 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.578 -5.547 -12.525 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.089 -3.728 -15.495 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.509 -5.237 -14.782 1.00 0.00 H new ATOM 212 N ALA A 14 3.996 2.086 -9.665 1.00 0.00 N ATOM 213 CA ALA A 14 4.132 3.412 -9.052 1.00 0.00 C ATOM 214 C ALA A 14 3.121 4.423 -9.594 1.00 0.00 C ATOM 215 O ALA A 14 3.065 4.700 -10.794 1.00 0.00 O ATOM 216 CB ALA A 14 5.557 3.921 -9.271 1.00 0.00 C ATOM 0 H ALA A 14 4.065 2.061 -10.682 1.00 0.00 H new ATOM 0 HA ALA A 14 3.925 3.307 -7.987 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.665 4.906 -8.818 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.265 3.231 -8.812 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.759 3.989 -10.340 1.00 0.00 H new ATOM 222 N VAL A 15 2.279 4.893 -8.668 1.00 0.00 N ATOM 223 CA VAL A 15 1.200 5.802 -9.021 1.00 0.00 C ATOM 224 C VAL A 15 1.111 7.021 -8.133 1.00 0.00 C ATOM 225 O VAL A 15 1.339 6.961 -6.925 1.00 0.00 O ATOM 226 CB VAL A 15 -0.157 5.083 -9.041 1.00 0.00 C ATOM 227 CG1 VAL A 15 -0.019 3.664 -9.579 1.00 0.00 C ATOM 228 CG2 VAL A 15 -0.742 5.079 -7.660 1.00 0.00 C ATOM 0 H VAL A 15 2.328 4.657 -7.677 1.00 0.00 H new ATOM 0 HA VAL A 15 1.446 6.153 -10.023 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.830 5.620 -9.710 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.995 3.179 -9.582 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.373 3.697 -10.596 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.665 3.099 -8.945 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.705 4.569 -7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.066 4.560 -6.980 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.880 6.105 -7.320 1.00 0.00 H new ATOM 238 N GLN A 16 0.753 8.129 -8.758 1.00 0.00 N ATOM 239 CA GLN A 16 0.599 9.382 -8.057 1.00 0.00 C ATOM 240 C GLN A 16 -0.678 9.389 -7.217 1.00 0.00 C ATOM 241 O GLN A 16 -1.733 8.926 -7.653 1.00 0.00 O ATOM 242 CB GLN A 16 0.587 10.545 -9.048 1.00 0.00 C ATOM 243 CG GLN A 16 -0.643 10.577 -9.941 1.00 0.00 C ATOM 244 CD GLN A 16 -0.910 11.953 -10.513 1.00 0.00 C ATOM 245 OE1 GLN A 16 -0.781 12.174 -11.716 1.00 0.00 O ATOM 246 NE2 GLN A 16 -1.282 12.887 -9.646 1.00 0.00 N ATOM 0 H GLN A 16 0.563 8.181 -9.759 1.00 0.00 H new ATOM 0 HA GLN A 16 1.448 9.500 -7.383 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.647 11.482 -8.495 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.478 10.486 -9.674 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.513 9.867 -10.758 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.512 10.250 -9.369 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.376 12.656 -8.657 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.474 13.835 -9.969 1.00 0.00 H new ATOM 255 N SER A 17 -0.572 9.921 -6.008 1.00 0.00 N ATOM 256 CA SER A 17 -1.714 9.998 -5.107 1.00 0.00 C ATOM 257 C SER A 17 -2.184 11.440 -4.973 1.00 0.00 C ATOM 258 O SER A 17 -1.430 12.313 -4.538 1.00 0.00 O ATOM 259 CB SER A 17 -1.353 9.424 -3.733 1.00 0.00 C ATOM 260 OG SER A 17 -0.445 10.268 -3.049 1.00 0.00 O ATOM 0 H SER A 17 0.293 10.306 -5.628 1.00 0.00 H new ATOM 0 HA SER A 17 -2.527 9.404 -5.526 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.258 9.301 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.913 8.434 -3.853 1.00 0.00 H new ATOM 0 HG SER A 17 -0.254 11.056 -3.599 1.00 0.00 H new ATOM 266 N ARG A 18 -3.431 11.687 -5.364 1.00 0.00 N ATOM 267 CA ARG A 18 -4.001 13.027 -5.303 1.00 0.00 C ATOM 268 C ARG A 18 -4.190 13.483 -3.860 1.00 0.00 C ATOM 269 O ARG A 18 -3.433 14.322 -3.376 1.00 0.00 O ATOM 270 CB ARG A 18 -5.328 13.078 -6.060 1.00 0.00 C ATOM 271 CG ARG A 18 -5.292 12.352 -7.398 1.00 0.00 C ATOM 272 CD ARG A 18 -5.349 13.323 -8.566 1.00 0.00 C ATOM 273 NE ARG A 18 -5.334 12.628 -9.850 1.00 0.00 N ATOM 274 CZ ARG A 18 -6.392 12.012 -10.371 1.00 0.00 C ATOM 275 NH1 ARG A 18 -7.554 12.017 -9.730 1.00 0.00 N ATOM 276 NH2 ARG A 18 -6.289 11.393 -11.539 1.00 0.00 N ATOM 0 H ARG A 18 -4.066 10.975 -5.727 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.300 13.712 -5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.109 12.640 -5.439 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.602 14.120 -6.228 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.382 11.756 -7.464 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.132 11.660 -7.459 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.252 13.929 -8.491 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.501 14.006 -8.512 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.462 12.614 -10.378 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.640 12.495 -8.833 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.362 11.543 -10.134 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.399 11.389 -12.037 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.100 10.921 -11.939 1.00 0.00 H new ATOM 290 N GLY A 19 -5.198 12.944 -3.172 1.00 0.00 N ATOM 291 CA GLY A 19 -5.441 13.341 -1.798 1.00 0.00 C ATOM 292 C GLY A 19 -6.079 12.240 -0.962 1.00 0.00 C ATOM 293 O GLY A 19 -5.967 12.249 0.263 1.00 0.00 O ATOM 0 H GLY A 19 -5.844 12.246 -3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.497 13.637 -1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.089 14.218 -1.789 1.00 0.00 H new ATOM 297 N ASP A 20 -6.755 11.293 -1.616 1.00 0.00 N ATOM 298 CA ASP A 20 -7.409 10.198 -0.906 1.00 0.00 C ATOM 299 C ASP A 20 -6.754 8.867 -1.250 1.00 0.00 C ATOM 300 O ASP A 20 -6.414 8.614 -2.404 1.00 0.00 O ATOM 301 CB ASP A 20 -8.896 10.150 -1.261 1.00 0.00 C ATOM 302 CG ASP A 20 -9.757 9.720 -0.089 1.00 0.00 C ATOM 303 OD1 ASP A 20 -9.429 8.696 0.544 1.00 0.00 O ATOM 304 OD2 ASP A 20 -10.760 10.409 0.193 1.00 0.00 O ATOM 0 H ASP A 20 -6.862 11.264 -2.630 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.302 10.374 0.164 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.217 11.134 -1.602 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.046 9.460 -2.091 1.00 0.00 H new ATOM 309 N TYR A 21 -6.578 8.016 -0.244 1.00 0.00 N ATOM 310 CA TYR A 21 -5.959 6.711 -0.455 1.00 0.00 C ATOM 311 C TYR A 21 -6.966 5.709 -0.994 1.00 0.00 C ATOM 312 O TYR A 21 -6.582 4.696 -1.569 1.00 0.00 O ATOM 313 CB TYR A 21 -5.346 6.170 0.851 1.00 0.00 C ATOM 314 CG TYR A 21 -5.822 4.780 1.241 1.00 0.00 C ATOM 315 CD1 TYR A 21 -7.177 4.515 1.406 1.00 0.00 C ATOM 316 CD2 TYR A 21 -4.924 3.737 1.444 1.00 0.00 C ATOM 317 CE1 TYR A 21 -7.625 3.263 1.755 1.00 0.00 C ATOM 318 CE2 TYR A 21 -5.367 2.481 1.798 1.00 0.00 C ATOM 319 CZ TYR A 21 -6.717 2.246 1.952 1.00 0.00 C ATOM 320 OH TYR A 21 -7.158 0.992 2.307 1.00 0.00 O ATOM 0 H TYR A 21 -6.853 8.204 0.720 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.165 6.845 -1.190 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.261 6.154 0.749 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.580 6.861 1.661 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.893 5.310 1.257 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.866 3.914 1.323 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.682 3.078 1.874 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.658 1.682 1.955 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.755 0.646 1.611 1.00 0.00 H new ATOM 330 N GLN A 22 -8.251 5.981 -0.795 1.00 0.00 N ATOM 331 CA GLN A 22 -9.285 5.071 -1.254 1.00 0.00 C ATOM 332 C GLN A 22 -9.302 5.015 -2.772 1.00 0.00 C ATOM 333 O GLN A 22 -9.313 3.937 -3.350 1.00 0.00 O ATOM 334 CB GLN A 22 -10.647 5.477 -0.665 1.00 0.00 C ATOM 335 CG GLN A 22 -11.855 5.226 -1.570 1.00 0.00 C ATOM 336 CD GLN A 22 -12.700 4.054 -1.110 1.00 0.00 C ATOM 337 OE1 GLN A 22 -13.751 4.233 -0.496 1.00 0.00 O ATOM 338 NE2 GLN A 22 -12.246 2.842 -1.411 1.00 0.00 N ATOM 0 H GLN A 22 -8.596 6.817 -0.323 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.067 4.063 -0.900 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.796 4.935 0.269 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.615 6.538 -0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -12.473 6.123 -1.601 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.509 5.042 -2.587 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.369 2.738 -1.922 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.774 2.016 -1.131 1.00 0.00 H new ATOM 347 N LYS A 23 -9.278 6.176 -3.416 1.00 0.00 N ATOM 348 CA LYS A 23 -9.266 6.226 -4.868 1.00 0.00 C ATOM 349 C LYS A 23 -7.990 5.589 -5.400 1.00 0.00 C ATOM 350 O LYS A 23 -8.026 4.749 -6.298 1.00 0.00 O ATOM 351 CB LYS A 23 -9.369 7.668 -5.348 1.00 0.00 C ATOM 352 CG LYS A 23 -10.426 8.478 -4.618 1.00 0.00 C ATOM 353 CD LYS A 23 -10.866 9.679 -5.439 1.00 0.00 C ATOM 354 CE LYS A 23 -11.921 9.298 -6.466 1.00 0.00 C ATOM 355 NZ LYS A 23 -13.263 9.833 -6.105 1.00 0.00 N ATOM 0 H LYS A 23 -9.267 7.087 -2.958 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.124 5.670 -5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.401 8.154 -5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.593 7.672 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.288 7.846 -4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.031 8.815 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.263 10.448 -4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.003 10.110 -5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.629 9.678 -7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.973 8.212 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.955 9.552 -6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.553 9.450 -5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.220 10.871 -6.051 1.00 0.00 H new ATOM 369 N THR A 24 -6.861 5.987 -4.821 1.00 0.00 N ATOM 370 CA THR A 24 -5.572 5.446 -5.221 1.00 0.00 C ATOM 371 C THR A 24 -5.529 3.950 -4.947 1.00 0.00 C ATOM 372 O THR A 24 -5.122 3.165 -5.799 1.00 0.00 O ATOM 373 CB THR A 24 -4.442 6.150 -4.472 1.00 0.00 C ATOM 374 OG1 THR A 24 -4.581 5.976 -3.075 1.00 0.00 O ATOM 375 CG2 THR A 24 -4.376 7.636 -4.747 1.00 0.00 C ATOM 0 H THR A 24 -6.816 6.681 -4.075 1.00 0.00 H new ATOM 0 HA THR A 24 -5.438 5.616 -6.289 1.00 0.00 H new ATOM 0 HB THR A 24 -3.524 5.689 -4.837 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.719 6.140 -2.638 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.552 8.074 -4.184 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.216 7.802 -5.812 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.312 8.104 -4.443 1.00 0.00 H new ATOM 383 N LEU A 25 -5.975 3.561 -3.758 1.00 0.00 N ATOM 384 CA LEU A 25 -6.009 2.162 -3.379 1.00 0.00 C ATOM 385 C LEU A 25 -7.013 1.424 -4.256 1.00 0.00 C ATOM 386 O LEU A 25 -6.743 0.319 -4.730 1.00 0.00 O ATOM 387 CB LEU A 25 -6.335 2.038 -1.880 1.00 0.00 C ATOM 388 CG LEU A 25 -6.871 0.690 -1.398 1.00 0.00 C ATOM 389 CD1 LEU A 25 -8.340 0.588 -1.732 1.00 0.00 C ATOM 390 CD2 LEU A 25 -6.091 -0.469 -1.999 1.00 0.00 C ATOM 0 H LEU A 25 -6.318 4.200 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.034 1.702 -3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.430 2.264 -1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.068 2.804 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.744 0.629 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.725 -0.372 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.882 1.394 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.474 0.669 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.500 -1.411 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.170 -0.436 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.043 -0.392 -1.709 1.00 0.00 H new ATOM 402 N ALA A 26 -8.177 2.036 -4.468 1.00 0.00 N ATOM 403 CA ALA A 26 -9.206 1.407 -5.282 1.00 0.00 C ATOM 404 C ALA A 26 -8.732 1.183 -6.713 1.00 0.00 C ATOM 405 O ALA A 26 -8.834 0.073 -7.240 1.00 0.00 O ATOM 406 CB ALA A 26 -10.485 2.232 -5.280 1.00 0.00 C ATOM 0 H ALA A 26 -8.425 2.951 -4.093 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.415 0.434 -4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.237 1.739 -5.896 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.856 2.325 -4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.279 3.224 -5.683 1.00 0.00 H new ATOM 412 N ILE A 27 -8.198 2.225 -7.350 1.00 0.00 N ATOM 413 CA ILE A 27 -7.717 2.108 -8.701 1.00 0.00 C ATOM 414 C ILE A 27 -6.410 1.312 -8.778 1.00 0.00 C ATOM 415 O ILE A 27 -6.219 0.513 -9.695 1.00 0.00 O ATOM 416 CB ILE A 27 -7.541 3.503 -9.325 1.00 0.00 C ATOM 417 CG1 ILE A 27 -8.752 3.858 -10.190 1.00 0.00 C ATOM 418 CG2 ILE A 27 -6.265 3.561 -10.127 1.00 0.00 C ATOM 419 CD1 ILE A 27 -9.739 4.774 -9.500 1.00 0.00 C ATOM 0 H ILE A 27 -8.093 3.154 -6.941 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.464 1.555 -9.271 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.472 4.240 -8.525 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -8.406 4.335 -11.107 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.262 2.940 -10.481 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.154 4.554 -10.563 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.416 3.353 -9.476 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.302 2.818 -10.923 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.572 4.984 -10.171 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.113 4.291 -8.597 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -9.244 5.708 -9.234 1.00 0.00 H new ATOM 431 N ALA A 28 -5.502 1.555 -7.833 1.00 0.00 N ATOM 432 CA ALA A 28 -4.210 0.873 -7.827 1.00 0.00 C ATOM 433 C ALA A 28 -4.415 -0.633 -7.859 1.00 0.00 C ATOM 434 O ALA A 28 -3.750 -1.339 -8.607 1.00 0.00 O ATOM 435 CB ALA A 28 -3.409 1.255 -6.594 1.00 0.00 C ATOM 0 H ALA A 28 -5.637 2.215 -7.067 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.655 1.180 -8.714 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.450 0.737 -6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.239 2.332 -6.589 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.962 0.971 -5.699 1.00 0.00 H new ATOM 441 N LEU A 29 -5.374 -1.097 -7.064 1.00 0.00 N ATOM 442 CA LEU A 29 -5.731 -2.513 -6.995 1.00 0.00 C ATOM 443 C LEU A 29 -6.433 -2.969 -8.269 1.00 0.00 C ATOM 444 O LEU A 29 -6.310 -4.123 -8.675 1.00 0.00 O ATOM 445 CB LEU A 29 -6.614 -2.778 -5.764 1.00 0.00 C ATOM 446 CG LEU A 29 -7.803 -3.731 -5.961 1.00 0.00 C ATOM 447 CD1 LEU A 29 -8.850 -3.130 -6.889 1.00 0.00 C ATOM 448 CD2 LEU A 29 -7.324 -5.063 -6.488 1.00 0.00 C ATOM 0 H LEU A 29 -5.928 -0.502 -6.448 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.812 -3.091 -6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.982 -3.181 -4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.999 -1.822 -5.409 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.275 -3.887 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.677 -3.830 -7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.221 -2.198 -6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.402 -2.931 -7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.176 -5.729 -6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.823 -4.917 -7.445 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.627 -5.506 -5.777 1.00 0.00 H new ATOM 460 N LYS A 30 -7.215 -2.083 -8.882 1.00 0.00 N ATOM 461 CA LYS A 30 -7.969 -2.462 -10.050 1.00 0.00 C ATOM 462 C LYS A 30 -7.024 -2.948 -11.136 1.00 0.00 C ATOM 463 O LYS A 30 -7.214 -4.021 -11.707 1.00 0.00 O ATOM 464 CB LYS A 30 -8.808 -1.246 -10.477 1.00 0.00 C ATOM 465 CG LYS A 30 -8.585 -0.784 -11.901 1.00 0.00 C ATOM 466 CD LYS A 30 -9.589 -1.360 -12.910 1.00 0.00 C ATOM 467 CE LYS A 30 -10.863 -1.892 -12.261 1.00 0.00 C ATOM 468 NZ LYS A 30 -11.776 -2.517 -13.259 1.00 0.00 N ATOM 0 H LYS A 30 -7.335 -1.114 -8.587 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.646 -3.291 -9.845 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.863 -1.489 -10.351 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.589 -0.418 -9.803 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.639 0.304 -11.931 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.577 -1.062 -12.208 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.853 -0.586 -13.631 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.111 -2.165 -13.468 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.603 -2.625 -11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.381 -1.077 -11.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.665 -2.789 -12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.978 -1.836 -14.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.323 -3.362 -13.662 1.00 0.00 H new ATOM 482 N LYS A 31 -5.978 -2.192 -11.372 1.00 0.00 N ATOM 483 CA LYS A 31 -4.971 -2.571 -12.332 1.00 0.00 C ATOM 484 C LYS A 31 -4.002 -3.640 -11.777 1.00 0.00 C ATOM 485 O LYS A 31 -3.437 -4.435 -12.530 1.00 0.00 O ATOM 486 CB LYS A 31 -4.195 -1.318 -12.748 1.00 0.00 C ATOM 487 CG LYS A 31 -3.041 -1.592 -13.691 1.00 0.00 C ATOM 488 CD LYS A 31 -3.244 -0.914 -15.038 1.00 0.00 C ATOM 489 CE LYS A 31 -2.957 0.578 -14.963 1.00 0.00 C ATOM 490 NZ LYS A 31 -1.517 0.857 -14.703 1.00 0.00 N ATOM 0 H LYS A 31 -5.802 -1.302 -10.906 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.469 -3.016 -13.193 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.882 -0.619 -13.225 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.811 -0.827 -11.854 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.112 -1.240 -13.242 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.937 -2.667 -13.836 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.591 -1.374 -15.780 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.269 -1.072 -15.374 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.255 1.052 -15.898 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.561 1.024 -14.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.299 1.838 -14.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.314 0.723 -13.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.931 0.206 -15.263 1.00 0.00 H new ATOM 504 N PHE A 32 -3.706 -3.525 -10.474 1.00 0.00 N ATOM 505 CA PHE A 32 -2.669 -4.351 -9.812 1.00 0.00 C ATOM 506 C PHE A 32 -2.907 -5.840 -9.469 1.00 0.00 C ATOM 507 O PHE A 32 -2.252 -6.712 -10.045 1.00 0.00 O ATOM 508 CB PHE A 32 -2.538 -3.710 -8.427 1.00 0.00 C ATOM 509 CG PHE A 32 -1.183 -3.320 -7.957 1.00 0.00 C ATOM 510 CD1 PHE A 32 -0.048 -4.022 -8.306 1.00 0.00 C ATOM 511 CD2 PHE A 32 -1.073 -2.248 -7.099 1.00 0.00 C ATOM 512 CE1 PHE A 32 1.184 -3.644 -7.807 1.00 0.00 C ATOM 513 CE2 PHE A 32 0.139 -1.869 -6.595 1.00 0.00 C ATOM 514 CZ PHE A 32 1.278 -2.565 -6.948 1.00 0.00 C ATOM 0 H PHE A 32 -4.170 -2.866 -9.849 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.853 -4.365 -10.534 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.164 -2.818 -8.413 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.956 -4.405 -7.698 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.122 -4.870 -8.971 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.960 -1.698 -6.820 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.072 -4.191 -8.088 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.206 -1.027 -5.922 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.239 -2.268 -6.554 1.00 0.00 H new ATOM 524 N SER A 33 -3.894 -6.131 -8.613 1.00 0.00 N ATOM 525 CA SER A 33 -4.242 -7.523 -8.317 1.00 0.00 C ATOM 526 C SER A 33 -5.596 -7.990 -8.845 1.00 0.00 C ATOM 527 O SER A 33 -5.742 -9.083 -9.396 1.00 0.00 O ATOM 528 CB SER A 33 -4.039 -7.845 -6.841 1.00 0.00 C ATOM 529 OG SER A 33 -4.325 -9.211 -6.580 1.00 0.00 O ATOM 0 H SER A 33 -4.455 -5.435 -8.122 1.00 0.00 H new ATOM 0 HA SER A 33 -3.533 -8.117 -8.894 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.011 -7.622 -6.553 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.685 -7.211 -6.233 1.00 0.00 H new ATOM 0 HG SER A 33 -4.037 -9.438 -5.671 1.00 0.00 H new ATOM 535 N LEU A 34 -6.601 -7.151 -8.533 1.00 0.00 N ATOM 536 CA LEU A 34 -7.995 -7.425 -8.807 1.00 0.00 C ATOM 537 C LEU A 34 -8.761 -6.195 -9.305 1.00 0.00 C ATOM 538 O LEU A 34 -8.229 -5.375 -10.042 1.00 0.00 O ATOM 539 CB LEU A 34 -8.624 -7.906 -7.506 1.00 0.00 C ATOM 540 CG LEU A 34 -7.767 -8.860 -6.687 1.00 0.00 C ATOM 541 CD1 LEU A 34 -6.719 -8.124 -5.879 1.00 0.00 C ATOM 542 CD2 LEU A 34 -8.648 -9.622 -5.759 1.00 0.00 C ATOM 0 H LEU A 34 -6.448 -6.252 -8.076 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.051 -8.171 -9.600 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.860 -7.037 -6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.568 -8.399 -7.738 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.252 -9.530 -7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.129 -8.842 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.065 -7.569 -6.551 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.208 -7.431 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.044 -10.309 -5.166 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.164 -8.928 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.381 -10.187 -6.335 1.00 0.00 H new ATOM 554 N GLU A 35 -10.018 -6.079 -8.852 1.00 0.00 N ATOM 555 CA GLU A 35 -10.899 -4.975 -9.169 1.00 0.00 C ATOM 556 C GLU A 35 -11.823 -4.784 -7.972 1.00 0.00 C ATOM 557 O GLU A 35 -11.988 -5.706 -7.166 1.00 0.00 O ATOM 558 CB GLU A 35 -11.692 -5.255 -10.450 1.00 0.00 C ATOM 559 CG GLU A 35 -10.865 -5.944 -11.526 1.00 0.00 C ATOM 560 CD GLU A 35 -11.511 -5.869 -12.897 1.00 0.00 C ATOM 561 OE1 GLU A 35 -12.675 -6.300 -13.028 1.00 0.00 O ATOM 562 OE2 GLU A 35 -10.849 -5.383 -13.838 1.00 0.00 O ATOM 0 H GLU A 35 -10.448 -6.773 -8.241 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.328 -4.066 -9.356 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.553 -5.878 -10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.079 -4.315 -10.844 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.877 -5.486 -11.569 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.720 -6.989 -11.254 1.00 0.00 H new ATOM 569 N ASP A 36 -12.390 -3.594 -7.826 1.00 0.00 N ATOM 570 CA ASP A 36 -13.250 -3.308 -6.677 1.00 0.00 C ATOM 571 C ASP A 36 -12.384 -3.421 -5.430 1.00 0.00 C ATOM 572 O ASP A 36 -12.451 -4.392 -4.673 1.00 0.00 O ATOM 573 CB ASP A 36 -14.429 -4.275 -6.610 1.00 0.00 C ATOM 574 CG ASP A 36 -15.476 -3.967 -7.662 1.00 0.00 C ATOM 575 OD1 ASP A 36 -16.108 -2.895 -7.566 1.00 0.00 O ATOM 576 OD2 ASP A 36 -15.662 -4.795 -8.578 1.00 0.00 O ATOM 0 H ASP A 36 -12.275 -2.818 -8.477 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.675 -2.308 -6.763 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.069 -5.295 -6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.883 -4.225 -5.621 1.00 0.00 H new ATOM 581 N ALA A 37 -11.553 -2.410 -5.265 1.00 0.00 N ATOM 582 CA ALA A 37 -10.602 -2.291 -4.176 1.00 0.00 C ATOM 583 C ALA A 37 -11.154 -1.894 -2.818 1.00 0.00 C ATOM 584 O ALA A 37 -10.458 -2.072 -1.819 1.00 0.00 O ATOM 585 CB ALA A 37 -9.399 -1.490 -4.529 1.00 0.00 C ATOM 0 H ALA A 37 -11.520 -1.620 -5.909 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.298 -3.329 -4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.730 -1.441 -3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.882 -1.960 -5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.703 -0.482 -4.810 1.00 0.00 H new ATOM 591 N SER A 38 -12.315 -1.241 -2.743 1.00 0.00 N ATOM 592 CA SER A 38 -12.766 -0.721 -1.454 1.00 0.00 C ATOM 593 C SER A 38 -12.622 -1.770 -0.363 1.00 0.00 C ATOM 594 O SER A 38 -12.415 -1.414 0.800 1.00 0.00 O ATOM 595 CB SER A 38 -14.228 -0.278 -1.553 1.00 0.00 C ATOM 596 OG SER A 38 -15.067 -1.361 -1.929 1.00 0.00 O ATOM 0 H SER A 38 -12.940 -1.064 -3.530 1.00 0.00 H new ATOM 0 HA SER A 38 -12.142 0.134 -1.195 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.555 0.123 -0.594 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.319 0.527 -2.283 1.00 0.00 H new ATOM 0 HG SER A 38 -15.995 -1.052 -1.983 1.00 0.00 H new ATOM 602 N LYS A 39 -12.622 -3.045 -0.719 1.00 0.00 N ATOM 603 CA LYS A 39 -12.362 -4.063 0.283 1.00 0.00 C ATOM 604 C LYS A 39 -10.933 -4.471 0.219 1.00 0.00 C ATOM 605 O LYS A 39 -10.569 -5.641 0.126 1.00 0.00 O ATOM 606 CB LYS A 39 -13.200 -5.258 0.138 1.00 0.00 C ATOM 607 CG LYS A 39 -14.365 -5.168 1.077 1.00 0.00 C ATOM 608 CD LYS A 39 -15.681 -5.550 0.420 1.00 0.00 C ATOM 609 CE LYS A 39 -16.216 -6.863 0.973 1.00 0.00 C ATOM 610 NZ LYS A 39 -16.789 -7.724 -0.097 1.00 0.00 N ATOM 0 H LYS A 39 -12.793 -3.391 -1.663 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.605 -3.614 1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.553 -5.345 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.616 -6.153 0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.188 -5.820 1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.438 -4.151 1.462 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.414 -4.759 0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.540 -5.638 -0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.412 -7.398 1.478 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.981 -6.657 1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.142 -8.608 0.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.573 -7.224 -0.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.053 -7.943 -0.798 1.00 0.00 H new ATOM 624 N PHE A 40 -10.151 -3.468 0.282 1.00 0.00 N ATOM 625 CA PHE A 40 -8.712 -3.608 0.252 1.00 0.00 C ATOM 626 C PHE A 40 -8.057 -2.677 1.266 1.00 0.00 C ATOM 627 O PHE A 40 -8.574 -1.594 1.535 1.00 0.00 O ATOM 628 CB PHE A 40 -8.130 -3.259 -1.117 1.00 0.00 C ATOM 629 CG PHE A 40 -8.269 -4.308 -2.137 1.00 0.00 C ATOM 630 CD1 PHE A 40 -9.491 -4.586 -2.690 1.00 0.00 C ATOM 631 CD2 PHE A 40 -7.160 -4.987 -2.578 1.00 0.00 C ATOM 632 CE1 PHE A 40 -9.610 -5.533 -3.666 1.00 0.00 C ATOM 633 CE2 PHE A 40 -7.276 -5.938 -3.550 1.00 0.00 C ATOM 634 CZ PHE A 40 -8.508 -6.205 -4.104 1.00 0.00 C ATOM 0 H PHE A 40 -10.474 -2.504 0.357 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.506 -4.652 0.486 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.615 -2.353 -1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -7.072 -3.028 -0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.367 -4.052 -2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.191 -4.767 -2.154 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.579 -5.750 -4.092 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.403 -6.480 -3.884 1.00 0.00 H new ATOM 0 HZ PHE A 40 -8.601 -6.946 -4.884 1.00 0.00 H new ATOM 644 N ILE A 41 -6.915 -3.081 1.812 1.00 0.00 N ATOM 645 CA ILE A 41 -6.191 -2.270 2.772 1.00 0.00 C ATOM 646 C ILE A 41 -4.726 -2.160 2.350 1.00 0.00 C ATOM 647 O ILE A 41 -4.191 -3.063 1.708 1.00 0.00 O ATOM 648 CB ILE A 41 -6.284 -2.883 4.193 1.00 0.00 C ATOM 649 CG1 ILE A 41 -7.603 -2.499 4.876 1.00 0.00 C ATOM 650 CG2 ILE A 41 -5.100 -2.461 5.046 1.00 0.00 C ATOM 651 CD1 ILE A 41 -8.042 -1.074 4.615 1.00 0.00 C ATOM 0 H ILE A 41 -6.471 -3.975 1.600 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.640 -1.277 2.796 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.260 -3.968 4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -8.386 -3.177 4.537 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.499 -2.645 5.951 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.190 -2.904 6.038 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.176 -2.801 4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.084 -1.375 5.134 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.982 -0.882 5.133 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.280 -0.386 4.980 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.181 -0.926 3.544 1.00 0.00 H new ATOM 663 N VAL A 42 -4.078 -1.057 2.714 1.00 0.00 N ATOM 664 CA VAL A 42 -2.672 -0.860 2.363 1.00 0.00 C ATOM 665 C VAL A 42 -1.886 -0.633 3.633 1.00 0.00 C ATOM 666 O VAL A 42 -2.434 -0.035 4.555 1.00 0.00 O ATOM 667 CB VAL A 42 -2.495 0.377 1.460 1.00 0.00 C ATOM 668 CG1 VAL A 42 -1.063 0.882 1.505 1.00 0.00 C ATOM 669 CG2 VAL A 42 -2.933 0.111 0.032 1.00 0.00 C ATOM 0 H VAL A 42 -4.496 -0.293 3.245 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.320 -1.743 1.829 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.147 1.157 1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.965 1.755 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.806 1.156 2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.390 0.098 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.790 1.011 -0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.338 -0.701 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.987 -0.168 0.021 1.00 0.00 H new ATOM 679 N CYS A 43 -0.634 -1.105 3.758 1.00 0.00 N ATOM 680 CA CYS A 43 0.087 -0.863 5.005 1.00 0.00 C ATOM 681 C CYS A 43 1.551 -0.459 4.737 1.00 0.00 C ATOM 682 O CYS A 43 2.224 -1.059 3.900 1.00 0.00 O ATOM 683 CB CYS A 43 0.083 -2.175 5.802 1.00 0.00 C ATOM 684 SG CYS A 43 -0.113 -2.009 7.588 1.00 0.00 S ATOM 0 H CYS A 43 -0.126 -1.630 3.046 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.398 -0.052 5.549 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.722 -2.805 5.424 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.018 -2.700 5.605 1.00 0.00 H new ATOM 0 HG CYS A 43 0.695 -1.092 8.030 1.00 0.00 H new ATOM 690 N VAL A 44 2.041 0.558 5.458 1.00 0.00 N ATOM 691 CA VAL A 44 3.427 1.022 5.279 1.00 0.00 C ATOM 692 C VAL A 44 4.178 1.122 6.592 1.00 0.00 C ATOM 693 O VAL A 44 3.578 1.105 7.663 1.00 0.00 O ATOM 694 CB VAL A 44 3.535 2.394 4.580 1.00 0.00 C ATOM 695 CG1 VAL A 44 3.144 2.297 3.115 1.00 0.00 C ATOM 696 CG2 VAL A 44 2.714 3.440 5.314 1.00 0.00 C ATOM 0 H VAL A 44 1.509 1.070 6.161 1.00 0.00 H new ATOM 0 HA VAL A 44 3.875 0.260 4.642 1.00 0.00 H new ATOM 0 HB VAL A 44 4.577 2.711 4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.230 3.279 2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.806 1.596 2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.115 1.947 3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.805 4.399 4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.667 3.136 5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.079 3.537 6.336 1.00 0.00 H new ATOM 706 N SER A 45 5.510 1.240 6.467 1.00 0.00 N ATOM 707 CA SER A 45 6.440 1.357 7.595 1.00 0.00 C ATOM 708 C SER A 45 7.559 0.331 7.468 1.00 0.00 C ATOM 709 O SER A 45 7.310 -0.849 7.219 1.00 0.00 O ATOM 710 CB SER A 45 5.748 1.196 8.942 1.00 0.00 C ATOM 711 OG SER A 45 5.199 2.422 9.387 1.00 0.00 O ATOM 0 H SER A 45 5.977 1.257 5.560 1.00 0.00 H new ATOM 0 HA SER A 45 6.855 2.364 7.557 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.958 0.449 8.861 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.462 0.826 9.678 1.00 0.00 H new ATOM 0 HG SER A 45 5.302 2.493 10.359 1.00 0.00 H new ATOM 717 N GLN A 46 8.794 0.787 7.642 1.00 0.00 N ATOM 718 CA GLN A 46 9.949 -0.095 7.551 1.00 0.00 C ATOM 719 C GLN A 46 10.216 -0.770 8.888 1.00 0.00 C ATOM 720 O GLN A 46 9.824 -0.257 9.936 1.00 0.00 O ATOM 721 CB GLN A 46 11.183 0.688 7.104 1.00 0.00 C ATOM 722 CG GLN A 46 12.214 -0.166 6.385 1.00 0.00 C ATOM 723 CD GLN A 46 13.633 0.328 6.587 1.00 0.00 C ATOM 724 OE1 GLN A 46 14.192 1.014 5.733 1.00 0.00 O ATOM 725 NE2 GLN A 46 14.224 -0.022 7.724 1.00 0.00 N ATOM 0 H GLN A 46 9.020 1.760 7.846 1.00 0.00 H new ATOM 0 HA GLN A 46 9.732 -0.865 6.810 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.871 1.498 6.445 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.648 1.148 7.976 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.138 -1.194 6.740 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.988 -0.179 5.319 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.723 -0.592 8.405 1.00 0.00 H new ATOM 0 HE22 GLN A 46 15.179 0.280 7.916 1.00 0.00 H new ATOM 734 N SER A 47 10.883 -1.920 8.846 1.00 0.00 N ATOM 735 CA SER A 47 11.201 -2.669 10.055 1.00 0.00 C ATOM 736 C SER A 47 9.926 -3.130 10.758 1.00 0.00 C ATOM 737 O SER A 47 8.827 -3.018 10.217 1.00 0.00 O ATOM 738 CB SER A 47 12.037 -1.816 11.007 1.00 0.00 C ATOM 739 OG SER A 47 11.197 -0.974 11.774 1.00 0.00 O ATOM 0 H SER A 47 11.214 -2.354 7.984 1.00 0.00 H new ATOM 0 HA SER A 47 11.778 -3.548 9.765 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.620 -2.459 11.667 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.747 -1.214 10.440 1.00 0.00 H new ATOM 0 HG SER A 47 10.510 -0.583 11.195 1.00 0.00 H new ATOM 745 N SER A 48 10.085 -3.651 11.969 1.00 0.00 N ATOM 746 CA SER A 48 8.957 -4.137 12.755 1.00 0.00 C ATOM 747 C SER A 48 7.939 -3.030 13.031 1.00 0.00 C ATOM 748 O SER A 48 6.781 -3.309 13.342 1.00 0.00 O ATOM 749 CB SER A 48 9.452 -4.726 14.078 1.00 0.00 C ATOM 750 OG SER A 48 10.161 -3.760 14.833 1.00 0.00 O ATOM 0 H SER A 48 10.990 -3.748 12.430 1.00 0.00 H new ATOM 0 HA SER A 48 8.460 -4.912 12.172 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.604 -5.093 14.656 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.097 -5.582 13.880 1.00 0.00 H new ATOM 0 HG SER A 48 10.465 -4.161 15.674 1.00 0.00 H new ATOM 756 N ARG A 49 8.377 -1.778 12.933 1.00 0.00 N ATOM 757 CA ARG A 49 7.499 -0.633 13.192 1.00 0.00 C ATOM 758 C ARG A 49 6.498 -0.406 12.053 1.00 0.00 C ATOM 759 O ARG A 49 6.369 0.711 11.556 1.00 0.00 O ATOM 760 CB ARG A 49 8.326 0.646 13.399 1.00 0.00 C ATOM 761 CG ARG A 49 9.689 0.425 14.043 1.00 0.00 C ATOM 762 CD ARG A 49 10.584 1.645 13.881 1.00 0.00 C ATOM 763 NE ARG A 49 10.744 2.031 12.478 1.00 0.00 N ATOM 764 CZ ARG A 49 11.829 1.771 11.747 1.00 0.00 C ATOM 765 NH1 ARG A 49 12.851 1.100 12.265 1.00 0.00 N ATOM 766 NH2 ARG A 49 11.890 2.182 10.486 1.00 0.00 N ATOM 0 H ARG A 49 9.332 -1.527 12.677 1.00 0.00 H new ATOM 0 HA ARG A 49 6.940 -0.863 14.099 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.470 1.130 12.433 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.754 1.336 14.019 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.561 0.204 15.103 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.170 -0.443 13.592 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.162 2.480 14.440 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.563 1.435 14.312 1.00 0.00 H new ATOM 0 HE ARG A 49 9.976 2.531 12.030 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.812 0.777 13.232 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.675 0.907 11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.108 2.695 10.079 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.719 1.985 9.925 1.00 0.00 H new ATOM 780 N ILE A 50 5.788 -1.460 11.649 1.00 0.00 N ATOM 781 CA ILE A 50 4.804 -1.357 10.568 1.00 0.00 C ATOM 782 C ILE A 50 3.502 -0.704 11.053 1.00 0.00 C ATOM 783 O ILE A 50 3.064 -0.944 12.178 1.00 0.00 O ATOM 784 CB ILE A 50 4.482 -2.741 9.964 1.00 0.00 C ATOM 785 CG1 ILE A 50 5.766 -3.550 9.747 1.00 0.00 C ATOM 786 CG2 ILE A 50 3.730 -2.581 8.650 1.00 0.00 C ATOM 787 CD1 ILE A 50 5.609 -5.025 10.043 1.00 0.00 C ATOM 0 H ILE A 50 5.875 -2.393 12.052 1.00 0.00 H new ATOM 0 HA ILE A 50 5.251 -0.728 9.798 1.00 0.00 H new ATOM 0 HB ILE A 50 3.850 -3.284 10.667 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.092 -3.428 8.714 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.554 -3.143 10.381 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.509 -3.564 8.235 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.798 -2.044 8.827 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.344 -2.019 7.946 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.557 -5.534 9.868 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.313 -5.158 11.084 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.844 -5.447 9.391 1.00 0.00 H new ATOM 799 N LYS A 51 2.893 0.132 10.203 1.00 0.00 N ATOM 800 CA LYS A 51 1.651 0.826 10.555 1.00 0.00 C ATOM 801 C LYS A 51 0.551 0.580 9.523 1.00 0.00 C ATOM 802 O LYS A 51 0.825 0.452 8.332 1.00 0.00 O ATOM 803 CB LYS A 51 1.903 2.329 10.667 1.00 0.00 C ATOM 804 CG LYS A 51 2.302 2.779 12.058 1.00 0.00 C ATOM 805 CD LYS A 51 1.694 4.136 12.400 1.00 0.00 C ATOM 806 CE LYS A 51 2.750 5.149 12.832 1.00 0.00 C ATOM 807 NZ LYS A 51 3.957 4.503 13.422 1.00 0.00 N ATOM 0 H LYS A 51 3.241 0.343 9.268 1.00 0.00 H new ATOM 0 HA LYS A 51 1.318 0.429 11.514 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.688 2.610 9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.001 2.863 10.367 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.977 2.038 12.789 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.388 2.838 12.125 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.157 4.521 11.533 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.962 4.013 13.199 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.047 5.748 11.971 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.315 5.833 13.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.441 5.178 14.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.670 3.667 13.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.603 4.213 12.660 1.00 0.00 H new ATOM 821 N LEU A 52 -0.696 0.528 9.997 1.00 0.00 N ATOM 822 CA LEU A 52 -1.853 0.302 9.124 1.00 0.00 C ATOM 823 C LEU A 52 -2.171 1.530 8.273 1.00 0.00 C ATOM 824 O LEU A 52 -2.267 2.646 8.783 1.00 0.00 O ATOM 825 CB LEU A 52 -3.079 -0.091 9.960 1.00 0.00 C ATOM 826 CG LEU A 52 -4.188 -0.838 9.204 1.00 0.00 C ATOM 827 CD1 LEU A 52 -5.056 0.135 8.420 1.00 0.00 C ATOM 828 CD2 LEU A 52 -3.599 -1.898 8.279 1.00 0.00 C ATOM 0 H LEU A 52 -0.932 0.640 10.983 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.600 -0.514 8.447 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.746 -0.715 10.789 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.506 0.814 10.393 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.816 -1.341 9.939 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.835 -0.416 7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.516 0.846 9.106 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.440 0.673 7.699 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.405 -2.412 7.756 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.940 -1.422 7.553 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.030 -2.618 8.867 1.00 0.00 H new ATOM 840 N ILE A 53 -2.337 1.307 6.968 1.00 0.00 N ATOM 841 CA ILE A 53 -2.648 2.385 6.031 1.00 0.00 C ATOM 842 C ILE A 53 -4.119 2.351 5.630 1.00 0.00 C ATOM 843 O ILE A 53 -4.608 1.370 5.018 1.00 0.00 O ATOM 844 CB ILE A 53 -1.781 2.302 4.771 1.00 0.00 C ATOM 845 CG1 ILE A 53 -0.629 3.292 4.813 1.00 0.00 C ATOM 846 CG2 ILE A 53 -2.609 2.486 3.506 1.00 0.00 C ATOM 847 CD1 ILE A 53 0.345 3.086 3.678 1.00 0.00 C ATOM 0 H ILE A 53 -2.261 0.386 6.536 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.434 3.323 6.543 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.354 1.299 4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.024 4.307 4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.103 3.194 5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.959 2.421 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.369 1.706 3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.092 3.463 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.150 3.817 3.752 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.762 2.081 3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.173 3.211 2.727 1.00 0.00 H new ATOM 859 N THR A 54 -4.793 3.442 5.983 1.00 0.00 N ATOM 860 CA THR A 54 -6.216 3.626 5.710 1.00 0.00 C ATOM 861 C THR A 54 -6.559 5.088 5.333 1.00 0.00 C ATOM 862 O THR A 54 -6.154 6.035 5.998 1.00 0.00 O ATOM 863 CB THR A 54 -7.022 3.195 6.947 1.00 0.00 C ATOM 864 OG1 THR A 54 -7.086 1.781 7.038 1.00 0.00 O ATOM 865 CG2 THR A 54 -8.445 3.722 6.976 1.00 0.00 C ATOM 0 H THR A 54 -4.364 4.229 6.470 1.00 0.00 H new ATOM 0 HA THR A 54 -6.479 3.008 4.851 1.00 0.00 H new ATOM 0 HB THR A 54 -6.485 3.628 7.791 1.00 0.00 H new ATOM 0 HG1 THR A 54 -7.601 1.527 7.832 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.944 3.373 7.880 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.430 4.812 6.968 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.985 3.360 6.101 1.00 0.00 H new ATOM 873 N GLU A 55 -7.349 5.221 4.270 1.00 0.00 N ATOM 874 CA GLU A 55 -7.834 6.504 3.746 1.00 0.00 C ATOM 875 C GLU A 55 -6.809 7.662 3.763 1.00 0.00 C ATOM 876 O GLU A 55 -5.670 7.488 3.353 1.00 0.00 O ATOM 877 CB GLU A 55 -9.139 6.898 4.436 1.00 0.00 C ATOM 878 CG GLU A 55 -9.056 6.953 5.950 1.00 0.00 C ATOM 879 CD GLU A 55 -9.992 7.986 6.546 1.00 0.00 C ATOM 880 OE1 GLU A 55 -10.203 9.036 5.903 1.00 0.00 O ATOM 881 OE2 GLU A 55 -10.514 7.747 7.655 1.00 0.00 O ATOM 0 H GLU A 55 -7.681 4.420 3.732 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.014 6.332 2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.451 7.875 4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.915 6.187 4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.295 5.972 6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.032 7.181 6.246 1.00 0.00 H new ATOM 888 N GLU A 56 -7.203 8.814 4.327 1.00 0.00 N ATOM 889 CA GLU A 56 -6.345 9.992 4.520 1.00 0.00 C ATOM 890 C GLU A 56 -5.386 9.782 5.691 1.00 0.00 C ATOM 891 O GLU A 56 -4.333 10.410 5.791 1.00 0.00 O ATOM 892 CB GLU A 56 -7.198 11.256 4.711 1.00 0.00 C ATOM 893 CG GLU A 56 -7.534 11.596 6.159 1.00 0.00 C ATOM 894 CD GLU A 56 -8.048 13.016 6.310 1.00 0.00 C ATOM 895 OE1 GLU A 56 -7.212 13.935 6.453 1.00 0.00 O ATOM 896 OE2 GLU A 56 -9.281 13.212 6.283 1.00 0.00 O ATOM 0 H GLU A 56 -8.153 8.955 4.671 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.741 10.129 3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.671 12.101 4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.129 11.135 4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.285 10.898 6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.645 11.465 6.777 1.00 0.00 H new ATOM 903 N GLU A 57 -5.800 8.858 6.546 1.00 0.00 N ATOM 904 CA GLU A 57 -5.062 8.458 7.730 1.00 0.00 C ATOM 905 C GLU A 57 -3.798 7.692 7.349 1.00 0.00 C ATOM 906 O GLU A 57 -2.820 7.667 8.091 1.00 0.00 O ATOM 907 CB GLU A 57 -5.971 7.643 8.669 1.00 0.00 C ATOM 908 CG GLU A 57 -5.702 6.137 8.707 1.00 0.00 C ATOM 909 CD GLU A 57 -5.421 5.636 10.110 1.00 0.00 C ATOM 910 OE1 GLU A 57 -6.271 5.853 11.003 1.00 0.00 O ATOM 911 OE2 GLU A 57 -4.349 5.032 10.322 1.00 0.00 O ATOM 0 H GLU A 57 -6.680 8.355 6.431 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.742 9.350 8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.867 8.038 9.679 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.007 7.801 8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.563 5.606 8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.852 5.906 8.065 1.00 0.00 H new ATOM 918 N PHE A 58 -3.869 6.998 6.222 1.00 0.00 N ATOM 919 CA PHE A 58 -2.782 6.140 5.774 1.00 0.00 C ATOM 920 C PHE A 58 -1.436 6.852 5.608 1.00 0.00 C ATOM 921 O PHE A 58 -0.441 6.424 6.196 1.00 0.00 O ATOM 922 CB PHE A 58 -3.216 5.482 4.450 1.00 0.00 C ATOM 923 CG PHE A 58 -2.613 6.061 3.185 1.00 0.00 C ATOM 924 CD1 PHE A 58 -3.030 7.285 2.680 1.00 0.00 C ATOM 925 CD2 PHE A 58 -1.635 5.367 2.495 1.00 0.00 C ATOM 926 CE1 PHE A 58 -2.481 7.797 1.519 1.00 0.00 C ATOM 927 CE2 PHE A 58 -1.086 5.870 1.335 1.00 0.00 C ATOM 928 CZ PHE A 58 -1.508 7.087 0.846 1.00 0.00 C ATOM 0 H PHE A 58 -4.675 7.013 5.597 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.605 5.399 6.553 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.964 4.422 4.496 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.301 5.549 4.374 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.793 7.844 3.201 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.295 4.414 2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.813 8.752 1.139 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.326 5.311 0.810 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.078 7.484 -0.062 1.00 0.00 H new ATOM 938 N LYS A 59 -1.386 7.918 4.828 1.00 0.00 N ATOM 939 CA LYS A 59 -0.147 8.630 4.627 1.00 0.00 C ATOM 940 C LYS A 59 0.295 9.396 5.865 1.00 0.00 C ATOM 941 O LYS A 59 1.444 9.324 6.276 1.00 0.00 O ATOM 942 CB LYS A 59 -0.251 9.548 3.413 1.00 0.00 C ATOM 943 CG LYS A 59 -1.376 10.566 3.483 1.00 0.00 C ATOM 944 CD LYS A 59 -0.846 11.959 3.787 1.00 0.00 C ATOM 945 CE LYS A 59 0.054 12.475 2.674 1.00 0.00 C ATOM 946 NZ LYS A 59 -0.682 12.642 1.391 1.00 0.00 N ATOM 0 H LYS A 59 -2.187 8.304 4.328 1.00 0.00 H new ATOM 0 HA LYS A 59 0.626 7.886 4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.694 10.078 3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.388 8.936 2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.916 10.579 2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.089 10.270 4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.682 12.644 3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.291 11.940 4.725 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.485 13.431 2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.883 11.783 2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.095 13.180 0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.896 11.707 0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.569 13.156 1.564 1.00 0.00 H new ATOM 960 N GLN A 60 -0.615 10.162 6.433 1.00 0.00 N ATOM 961 CA GLN A 60 -0.292 10.979 7.590 1.00 0.00 C ATOM 962 C GLN A 60 0.014 10.153 8.836 1.00 0.00 C ATOM 963 O GLN A 60 0.935 10.484 9.582 1.00 0.00 O ATOM 964 CB GLN A 60 -1.436 11.954 7.886 1.00 0.00 C ATOM 965 CG GLN A 60 -2.055 12.577 6.643 1.00 0.00 C ATOM 966 CD GLN A 60 -2.994 13.731 6.955 1.00 0.00 C ATOM 967 OE1 GLN A 60 -3.606 13.710 8.137 1.00 0.00 O flip ATOM 968 NE2 GLN A 60 -3.172 14.634 6.136 1.00 0.00 N flip ATOM 0 H GLN A 60 -1.581 10.237 6.115 1.00 0.00 H new ATOM 0 HA GLN A 60 0.614 11.530 7.338 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.213 11.429 8.442 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.064 12.749 8.532 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.259 12.932 5.988 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.602 11.810 6.094 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.684 14.614 5.241 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.807 15.402 6.353 1.00 0.00 H new ATOM 977 N ILE A 61 -0.768 9.110 9.093 1.00 0.00 N ATOM 978 CA ILE A 61 -0.548 8.311 10.291 1.00 0.00 C ATOM 979 C ILE A 61 0.705 7.441 10.204 1.00 0.00 C ATOM 980 O ILE A 61 1.538 7.479 11.112 1.00 0.00 O ATOM 981 CB ILE A 61 -1.764 7.413 10.605 1.00 0.00 C ATOM 982 CG1 ILE A 61 -3.020 8.264 10.825 1.00 0.00 C ATOM 983 CG2 ILE A 61 -1.489 6.551 11.830 1.00 0.00 C ATOM 984 CD1 ILE A 61 -2.804 9.429 11.769 1.00 0.00 C ATOM 0 H ILE A 61 -1.542 8.804 8.503 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.407 9.030 11.098 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.935 6.758 9.751 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.364 8.645 9.863 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.814 7.630 11.219 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.357 5.925 12.036 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.621 5.918 11.642 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.292 7.192 12.689 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.734 9.987 11.878 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.490 9.054 12.743 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.032 10.085 11.366 1.00 0.00 H new ATOM 996 N CYS A 62 0.866 6.664 9.133 1.00 0.00 N ATOM 997 CA CYS A 62 2.050 5.821 8.999 1.00 0.00 C ATOM 998 C CYS A 62 3.296 6.636 8.679 1.00 0.00 C ATOM 999 O CYS A 62 4.330 6.508 9.335 1.00 0.00 O ATOM 1000 CB CYS A 62 1.819 4.760 7.931 1.00 0.00 C ATOM 1001 SG CYS A 62 0.235 3.906 8.096 1.00 0.00 S ATOM 0 H CYS A 62 0.204 6.602 8.360 1.00 0.00 H new ATOM 0 HA CYS A 62 2.219 5.334 9.959 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.870 5.228 6.948 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.625 4.027 7.977 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.639 4.456 7.306 1.00 0.00 H new ATOM 1007 N PHE A 63 3.184 7.463 7.645 1.00 0.00 N ATOM 1008 CA PHE A 63 4.290 8.296 7.198 1.00 0.00 C ATOM 1009 C PHE A 63 4.556 9.440 8.176 1.00 0.00 C ATOM 1010 O PHE A 63 5.593 10.100 8.101 1.00 0.00 O ATOM 1011 CB PHE A 63 3.997 8.828 5.792 1.00 0.00 C ATOM 1012 CG PHE A 63 4.501 7.928 4.692 1.00 0.00 C ATOM 1013 CD1 PHE A 63 4.322 6.550 4.769 1.00 0.00 C ATOM 1014 CD2 PHE A 63 5.143 8.449 3.577 1.00 0.00 C ATOM 1015 CE1 PHE A 63 4.775 5.719 3.761 1.00 0.00 C ATOM 1016 CE2 PHE A 63 5.593 7.613 2.567 1.00 0.00 C ATOM 1017 CZ PHE A 63 5.408 6.253 2.661 1.00 0.00 C ATOM 0 H PHE A 63 2.330 7.573 7.098 1.00 0.00 H new ATOM 0 HA PHE A 63 5.194 7.688 7.164 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.921 8.960 5.679 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.452 9.812 5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.823 6.124 5.627 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.293 9.515 3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.632 4.651 3.836 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.090 8.030 1.704 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.759 5.604 1.872 1.00 0.00 H new ATOM 1027 N ASN A 64 3.620 9.662 9.099 1.00 0.00 N ATOM 1028 CA ASN A 64 3.757 10.710 10.100 1.00 0.00 C ATOM 1029 C ASN A 64 3.715 12.089 9.459 1.00 0.00 C ATOM 1030 O ASN A 64 4.729 12.598 8.982 1.00 0.00 O ATOM 1031 CB ASN A 64 5.055 10.531 10.893 1.00 0.00 C ATOM 1032 CG ASN A 64 4.938 9.465 11.968 1.00 0.00 C ATOM 1033 OD1 ASN A 64 5.262 9.704 13.131 1.00 0.00 O ATOM 1034 ND2 ASN A 64 4.473 8.280 11.585 1.00 0.00 N ATOM 0 H ASN A 64 2.756 9.125 9.171 1.00 0.00 H new ATOM 0 HA ASN A 64 2.914 10.629 10.787 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.861 10.266 10.209 1.00 0.00 H new ATOM 0 HB3 ASN A 64 5.328 11.480 11.355 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.373 7.527 12.266 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.216 8.124 10.610 1.00 0.00 H new ATOM 1041 N SER A 65 2.524 12.683 9.455 1.00 0.00 N ATOM 1042 CA SER A 65 2.310 14.010 8.878 1.00 0.00 C ATOM 1043 C SER A 65 3.487 14.945 9.156 1.00 0.00 C ATOM 1044 O SER A 65 3.628 15.469 10.261 1.00 0.00 O ATOM 1045 CB SER A 65 1.025 14.626 9.433 1.00 0.00 C ATOM 1046 OG SER A 65 1.016 14.594 10.850 1.00 0.00 O ATOM 0 H SER A 65 1.683 12.261 9.849 1.00 0.00 H new ATOM 0 HA SER A 65 2.223 13.887 7.799 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.933 15.656 9.089 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.162 14.083 9.048 1.00 0.00 H new ATOM 0 HG SER A 65 1.857 14.965 11.191 1.00 0.00 H new ATOM 1052 N SER A 66 4.323 15.149 8.144 1.00 0.00 N ATOM 1053 CA SER A 66 5.484 16.020 8.272 1.00 0.00 C ATOM 1054 C SER A 66 5.975 16.472 6.899 1.00 0.00 C ATOM 1055 O SER A 66 6.168 17.665 6.661 1.00 0.00 O ATOM 1056 CB SER A 66 6.609 15.301 9.024 1.00 0.00 C ATOM 1057 OG SER A 66 6.825 15.883 10.297 1.00 0.00 O ATOM 0 H SER A 66 4.217 14.722 7.224 1.00 0.00 H new ATOM 0 HA SER A 66 5.188 16.902 8.840 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.357 14.247 9.141 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.528 15.346 8.440 1.00 0.00 H new ATOM 0 HG SER A 66 7.546 15.405 10.757 1.00 0.00 H new ATOM 1063 N SER A 67 6.172 15.513 5.998 1.00 0.00 N ATOM 1064 CA SER A 67 6.636 15.818 4.648 1.00 0.00 C ATOM 1065 C SER A 67 6.419 14.629 3.705 1.00 0.00 C ATOM 1066 O SER A 67 6.124 13.516 4.150 1.00 0.00 O ATOM 1067 CB SER A 67 8.114 16.216 4.670 1.00 0.00 C ATOM 1068 OG SER A 67 8.275 17.591 4.368 1.00 0.00 O ATOM 0 H SER A 67 6.018 14.521 6.178 1.00 0.00 H new ATOM 0 HA SER A 67 6.050 16.657 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.537 16.004 5.652 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.667 15.615 3.948 1.00 0.00 H new ATOM 0 HG SER A 67 7.660 18.121 4.917 1.00 0.00 H new ATOM 1074 N PRO A 68 6.542 14.859 2.381 1.00 0.00 N ATOM 1075 CA PRO A 68 6.340 13.817 1.361 1.00 0.00 C ATOM 1076 C PRO A 68 7.510 12.837 1.242 1.00 0.00 C ATOM 1077 O PRO A 68 8.374 12.989 0.379 1.00 0.00 O ATOM 1078 CB PRO A 68 6.193 14.625 0.073 1.00 0.00 C ATOM 1079 CG PRO A 68 6.994 15.859 0.311 1.00 0.00 C ATOM 1080 CD PRO A 68 6.868 16.164 1.778 1.00 0.00 C ATOM 0 HA PRO A 68 5.486 13.184 1.603 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.566 14.070 -0.788 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.149 14.863 -0.129 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.037 15.706 0.033 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.622 16.687 -0.292 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.794 16.572 2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.086 16.899 1.968 1.00 0.00 H new ATOM 1088 N GLU A 69 7.542 11.841 2.129 1.00 0.00 N ATOM 1089 CA GLU A 69 8.619 10.845 2.141 1.00 0.00 C ATOM 1090 C GLU A 69 8.550 9.883 0.944 1.00 0.00 C ATOM 1091 O GLU A 69 9.565 9.615 0.301 1.00 0.00 O ATOM 1092 CB GLU A 69 8.566 10.050 3.450 1.00 0.00 C ATOM 1093 CG GLU A 69 9.884 9.388 3.821 1.00 0.00 C ATOM 1094 CD GLU A 69 10.970 10.394 4.144 1.00 0.00 C ATOM 1095 OE1 GLU A 69 10.678 11.375 4.860 1.00 0.00 O ATOM 1096 OE2 GLU A 69 12.114 10.200 3.683 1.00 0.00 O ATOM 0 H GLU A 69 6.834 11.701 2.850 1.00 0.00 H new ATOM 0 HA GLU A 69 9.563 11.385 2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.266 10.718 4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.796 9.283 3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.730 8.736 4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.213 8.755 2.997 1.00 0.00 H new ATOM 1103 N ARG A 70 7.353 9.364 0.652 1.00 0.00 N ATOM 1104 CA ARG A 70 7.157 8.423 -0.468 1.00 0.00 C ATOM 1105 C ARG A 70 7.886 7.094 -0.225 1.00 0.00 C ATOM 1106 O ARG A 70 9.100 7.098 -0.032 1.00 0.00 O ATOM 1107 CB ARG A 70 7.657 9.051 -1.775 1.00 0.00 C ATOM 1108 CG ARG A 70 6.943 10.341 -2.146 1.00 0.00 C ATOM 1109 CD ARG A 70 7.676 11.111 -3.243 1.00 0.00 C ATOM 1110 NE ARG A 70 8.523 10.249 -4.071 1.00 0.00 N ATOM 1111 CZ ARG A 70 8.437 10.163 -5.399 1.00 0.00 C ATOM 1112 NH1 ARG A 70 7.534 10.870 -6.067 1.00 0.00 N ATOM 1113 NH2 ARG A 70 9.261 9.365 -6.063 1.00 0.00 N ATOM 0 H ARG A 70 6.502 9.576 1.173 1.00 0.00 H new ATOM 0 HA ARG A 70 6.089 8.216 -0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.725 9.250 -1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.532 8.332 -2.584 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.931 10.111 -2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.851 10.971 -1.261 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.946 11.614 -3.878 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.291 11.887 -2.787 1.00 0.00 H new ATOM 0 HE ARG A 70 9.225 9.677 -3.601 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.896 11.487 -5.565 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.478 10.796 -7.083 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.959 8.818 -5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.197 9.297 -7.079 1.00 0.00 H new ATOM 1127 N ASP A 71 7.157 5.949 -0.243 1.00 0.00 N ATOM 1128 CA ASP A 71 7.814 4.646 -0.015 1.00 0.00 C ATOM 1129 C ASP A 71 6.930 3.392 -0.267 1.00 0.00 C ATOM 1130 O ASP A 71 6.231 2.944 0.643 1.00 0.00 O ATOM 1131 CB ASP A 71 8.322 4.581 1.433 1.00 0.00 C ATOM 1132 CG ASP A 71 9.666 5.255 1.633 1.00 0.00 C ATOM 1133 OD1 ASP A 71 10.686 4.694 1.182 1.00 0.00 O ATOM 1134 OD2 ASP A 71 9.697 6.345 2.242 1.00 0.00 O ATOM 0 H ASP A 71 6.151 5.904 -0.407 1.00 0.00 H new ATOM 0 HA ASP A 71 8.617 4.607 -0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.588 5.050 2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.399 3.537 1.736 1.00 0.00 H new ATOM 1139 N ARG A 72 7.015 2.791 -1.477 1.00 0.00 N ATOM 1140 CA ARG A 72 6.334 1.537 -1.937 1.00 0.00 C ATOM 1141 C ARG A 72 5.122 0.907 -1.243 1.00 0.00 C ATOM 1142 O ARG A 72 4.902 -0.277 -1.487 1.00 0.00 O ATOM 1143 CB ARG A 72 7.393 0.442 -2.139 1.00 0.00 C ATOM 1144 CG ARG A 72 8.841 0.904 -1.967 1.00 0.00 C ATOM 1145 CD ARG A 72 9.802 0.154 -2.880 1.00 0.00 C ATOM 1146 NE ARG A 72 9.342 -1.199 -3.206 1.00 0.00 N ATOM 1147 CZ ARG A 72 10.115 -2.282 -3.172 1.00 0.00 C ATOM 1148 NH1 ARG A 72 11.394 -2.192 -2.830 1.00 0.00 N ATOM 1149 NH2 ARG A 72 9.603 -3.464 -3.489 1.00 0.00 N ATOM 0 H ARG A 72 7.598 3.188 -2.214 1.00 0.00 H new ATOM 0 HA ARG A 72 5.839 1.941 -2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.199 -0.365 -1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.277 0.025 -3.139 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.906 1.972 -2.175 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.144 0.762 -0.930 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.934 0.719 -3.803 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.779 0.094 -2.400 1.00 0.00 H new ATOM 0 HE ARG A 72 8.366 -1.318 -3.477 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.795 -1.286 -2.589 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.976 -3.029 -2.808 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.622 -3.539 -3.757 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.191 -4.297 -3.465 1.00 0.00 H new ATOM 1163 N LEU A 73 4.364 1.571 -0.399 1.00 0.00 N ATOM 1164 CA LEU A 73 3.205 0.908 0.278 1.00 0.00 C ATOM 1165 C LEU A 73 2.706 -0.398 -0.397 1.00 0.00 C ATOM 1166 O LEU A 73 3.025 -0.681 -1.544 1.00 0.00 O ATOM 1167 CB LEU A 73 2.047 1.874 0.355 1.00 0.00 C ATOM 1168 CG LEU A 73 1.424 2.205 -0.990 1.00 0.00 C ATOM 1169 CD1 LEU A 73 0.186 1.368 -1.194 1.00 0.00 C ATOM 1170 CD2 LEU A 73 1.111 3.695 -1.090 1.00 0.00 C ATOM 0 H LEU A 73 4.501 2.551 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 73 3.575 0.624 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.280 1.453 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.389 2.798 0.822 1.00 0.00 H new ATOM 0 HG LEU A 73 2.136 1.970 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.260 1.607 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.453 0.311 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.531 1.580 -0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.666 3.909 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.412 3.974 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.031 4.268 -0.979 1.00 0.00 H new ATOM 1182 N ILE A 74 1.917 -1.199 0.345 1.00 0.00 N ATOM 1183 CA ILE A 74 1.393 -2.480 -0.174 1.00 0.00 C ATOM 1184 C ILE A 74 -0.139 -2.559 -0.153 1.00 0.00 C ATOM 1185 O ILE A 74 -0.779 -2.038 0.763 1.00 0.00 O ATOM 1186 CB ILE A 74 1.935 -3.693 0.627 1.00 0.00 C ATOM 1187 CG1 ILE A 74 2.676 -3.239 1.888 1.00 0.00 C ATOM 1188 CG2 ILE A 74 2.832 -4.553 -0.245 1.00 0.00 C ATOM 1189 CD1 ILE A 74 4.012 -2.579 1.615 1.00 0.00 C ATOM 0 H ILE A 74 1.629 -0.985 1.300 1.00 0.00 H new ATOM 0 HA ILE A 74 1.739 -2.519 -1.207 1.00 0.00 H new ATOM 0 HB ILE A 74 1.082 -4.295 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.043 -2.541 2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.834 -4.102 2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.202 -5.398 0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.264 -4.920 -1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.675 -3.959 -0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.473 -2.287 2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.664 -3.280 1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.861 -1.695 0.996 1.00 0.00 H new ATOM 1201 N ILE A 75 -0.705 -3.238 -1.177 1.00 0.00 N ATOM 1202 CA ILE A 75 -2.161 -3.427 -1.313 1.00 0.00 C ATOM 1203 C ILE A 75 -2.618 -4.832 -0.977 1.00 0.00 C ATOM 1204 O ILE A 75 -2.028 -5.833 -1.426 1.00 0.00 O ATOM 1205 CB ILE A 75 -2.709 -3.165 -2.716 1.00 0.00 C ATOM 1206 CG1 ILE A 75 -2.068 -1.921 -3.335 1.00 0.00 C ATOM 1207 CG2 ILE A 75 -4.247 -3.085 -2.646 1.00 0.00 C ATOM 1208 CD1 ILE A 75 -2.898 -0.674 -3.215 1.00 0.00 C ATOM 0 H ILE A 75 -0.164 -3.667 -1.928 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.545 -2.692 -0.606 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.447 -3.989 -3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.103 -1.748 -2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.873 -2.114 -4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.647 -2.898 -3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.643 -4.027 -2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.539 -2.273 -1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.371 0.160 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.854 -0.823 -3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.072 -0.453 -2.162 1.00 0.00 H new ATOM 1220 N VAL A 76 -3.711 -4.879 -0.223 1.00 0.00 N ATOM 1221 CA VAL A 76 -4.335 -6.133 0.173 1.00 0.00 C ATOM 1222 C VAL A 76 -5.861 -6.061 0.007 1.00 0.00 C ATOM 1223 O VAL A 76 -6.451 -4.997 0.159 1.00 0.00 O ATOM 1224 CB VAL A 76 -3.952 -6.508 1.624 1.00 0.00 C ATOM 1225 CG1 VAL A 76 -2.637 -5.854 2.024 1.00 0.00 C ATOM 1226 CG2 VAL A 76 -5.048 -6.134 2.617 1.00 0.00 C ATOM 0 H VAL A 76 -4.188 -4.049 0.130 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.962 -6.918 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.831 -7.591 1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.389 -6.133 3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.845 -6.190 1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.734 -4.770 1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.738 -6.415 3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.223 -5.059 2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.967 -6.661 2.360 1.00 0.00 H new ATOM 1236 N PRO A 77 -6.509 -7.194 -0.349 1.00 0.00 N ATOM 1237 CA PRO A 77 -7.960 -7.259 -0.584 1.00 0.00 C ATOM 1238 C PRO A 77 -8.814 -7.519 0.661 1.00 0.00 C ATOM 1239 O PRO A 77 -9.861 -8.156 0.567 1.00 0.00 O ATOM 1240 CB PRO A 77 -8.074 -8.433 -1.552 1.00 0.00 C ATOM 1241 CG PRO A 77 -6.967 -9.355 -1.162 1.00 0.00 C ATOM 1242 CD PRO A 77 -5.862 -8.495 -0.595 1.00 0.00 C ATOM 0 HA PRO A 77 -8.338 -6.303 -0.945 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -9.045 -8.922 -1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -7.970 -8.105 -2.586 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.310 -10.080 -0.424 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.613 -9.920 -2.024 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.458 -8.920 0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.031 -8.401 -1.294 1.00 0.00 H new ATOM 1250 N LYS A 78 -8.401 -6.985 1.805 1.00 0.00 N ATOM 1251 CA LYS A 78 -9.160 -7.119 3.048 1.00 0.00 C ATOM 1252 C LYS A 78 -9.428 -8.571 3.463 1.00 0.00 C ATOM 1253 O LYS A 78 -8.979 -9.008 4.524 1.00 0.00 O ATOM 1254 CB LYS A 78 -10.485 -6.374 2.923 1.00 0.00 C ATOM 1255 CG LYS A 78 -11.253 -6.322 4.227 1.00 0.00 C ATOM 1256 CD LYS A 78 -12.729 -6.635 4.027 1.00 0.00 C ATOM 1257 CE LYS A 78 -12.947 -8.091 3.643 1.00 0.00 C ATOM 1258 NZ LYS A 78 -13.222 -8.256 2.187 1.00 0.00 N ATOM 0 H LYS A 78 -7.537 -6.450 1.900 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.539 -6.685 3.831 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.294 -5.358 2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.099 -6.858 2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.823 -7.034 4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.148 -5.332 4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.276 -6.414 4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.136 -5.988 3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.065 -8.672 3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.781 -8.495 4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.998 -8.936 2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.492 -7.339 1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.368 -8.609 1.710 1.00 0.00 H new ATOM 1272 N GLU A 79 -10.170 -9.318 2.640 1.00 0.00 N ATOM 1273 CA GLU A 79 -10.501 -10.715 2.956 1.00 0.00 C ATOM 1274 C GLU A 79 -9.280 -11.638 2.845 1.00 0.00 C ATOM 1275 O GLU A 79 -9.419 -12.851 2.736 1.00 0.00 O ATOM 1276 CB GLU A 79 -11.615 -11.211 2.027 1.00 0.00 C ATOM 1277 CG GLU A 79 -12.170 -12.582 2.388 1.00 0.00 C ATOM 1278 CD GLU A 79 -13.009 -12.560 3.650 1.00 0.00 C ATOM 1279 OE1 GLU A 79 -12.427 -12.444 4.749 1.00 0.00 O ATOM 1280 OE2 GLU A 79 -14.249 -12.657 3.538 1.00 0.00 O ATOM 0 H GLU A 79 -10.552 -8.984 1.755 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.842 -10.744 3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.430 -10.488 2.039 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.233 -11.244 1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.775 -12.954 1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.344 -13.281 2.518 1.00 0.00 H new ATOM 1287 N LYS A 80 -8.088 -11.055 2.884 1.00 0.00 N ATOM 1288 CA LYS A 80 -6.839 -11.802 2.795 1.00 0.00 C ATOM 1289 C LYS A 80 -5.692 -10.833 2.571 1.00 0.00 C ATOM 1290 O LYS A 80 -5.208 -10.687 1.452 1.00 0.00 O ATOM 1291 CB LYS A 80 -6.887 -12.809 1.651 1.00 0.00 C ATOM 1292 CG LYS A 80 -5.759 -13.828 1.694 1.00 0.00 C ATOM 1293 CD LYS A 80 -5.966 -14.846 2.804 1.00 0.00 C ATOM 1294 CE LYS A 80 -5.700 -16.262 2.319 1.00 0.00 C ATOM 1295 NZ LYS A 80 -6.683 -16.688 1.284 1.00 0.00 N ATOM 0 H LYS A 80 -7.960 -10.048 2.979 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.691 -12.348 3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -7.842 -13.334 1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.846 -12.273 0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.696 -14.342 0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.809 -13.314 1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.303 -14.616 3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.987 -14.775 3.179 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.692 -16.322 1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.742 -16.949 3.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.757 -17.725 1.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.613 -16.275 1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.366 -16.362 0.349 1.00 0.00 H new ATOM 1309 N PRO A 81 -5.248 -10.136 3.627 1.00 0.00 N ATOM 1310 CA PRO A 81 -4.169 -9.162 3.509 1.00 0.00 C ATOM 1311 C PRO A 81 -2.834 -9.797 3.165 1.00 0.00 C ATOM 1312 O PRO A 81 -2.778 -10.897 2.619 1.00 0.00 O ATOM 1313 CB PRO A 81 -4.132 -8.499 4.885 1.00 0.00 C ATOM 1314 CG PRO A 81 -4.674 -9.529 5.792 1.00 0.00 C ATOM 1315 CD PRO A 81 -5.759 -10.217 5.009 1.00 0.00 C ATOM 0 HA PRO A 81 -4.346 -8.459 2.695 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.117 -8.215 5.164 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.734 -7.591 4.907 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.899 -10.234 6.094 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.070 -9.081 6.703 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.901 -11.249 5.330 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.720 -9.714 5.117 1.00 0.00 H new ATOM 1323 N CYS A 82 -1.762 -9.085 3.482 1.00 0.00 N ATOM 1324 CA CYS A 82 -0.414 -9.559 3.201 1.00 0.00 C ATOM 1325 C CYS A 82 -0.146 -10.888 3.901 1.00 0.00 C ATOM 1326 O CYS A 82 0.075 -10.923 5.111 1.00 0.00 O ATOM 1327 CB CYS A 82 0.614 -8.517 3.646 1.00 0.00 C ATOM 1328 SG CYS A 82 0.302 -6.855 3.010 1.00 0.00 S ATOM 0 H CYS A 82 -1.800 -8.172 3.936 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.325 -9.714 2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.630 -8.480 4.735 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.604 -8.838 3.323 1.00 0.00 H new ATOM 0 HG CYS A 82 1.316 -6.466 2.295 1.00 0.00 H new ATOM 1334 N PRO A 83 -0.159 -12.008 3.152 1.00 0.00 N ATOM 1335 CA PRO A 83 0.088 -13.332 3.721 1.00 0.00 C ATOM 1336 C PRO A 83 1.536 -13.494 4.167 1.00 0.00 C ATOM 1337 O PRO A 83 1.811 -14.114 5.194 1.00 0.00 O ATOM 1338 CB PRO A 83 -0.237 -14.299 2.570 1.00 0.00 C ATOM 1339 CG PRO A 83 -0.952 -13.474 1.553 1.00 0.00 C ATOM 1340 CD PRO A 83 -0.407 -12.087 1.706 1.00 0.00 C ATOM 0 HA PRO A 83 -0.513 -13.512 4.612 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.671 -14.735 2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.859 -15.125 2.914 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.778 -13.855 0.547 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.029 -13.493 1.720 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.506 -11.942 1.128 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -1.118 -11.331 1.373 1.00 0.00 H new ATOM 1348 N SER A 84 2.462 -12.930 3.390 1.00 0.00 N ATOM 1349 CA SER A 84 3.881 -13.019 3.717 1.00 0.00 C ATOM 1350 C SER A 84 4.749 -12.277 2.699 1.00 0.00 C ATOM 1351 O SER A 84 5.581 -11.449 3.069 1.00 0.00 O ATOM 1352 CB SER A 84 4.314 -14.486 3.786 1.00 0.00 C ATOM 1353 OG SER A 84 5.553 -14.623 4.459 1.00 0.00 O ATOM 0 H SER A 84 2.255 -12.411 2.537 1.00 0.00 H new ATOM 0 HA SER A 84 4.022 -12.545 4.688 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.551 -15.069 4.301 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.398 -14.891 2.778 1.00 0.00 H new ATOM 0 HG SER A 84 5.805 -15.569 4.490 1.00 0.00 H new ATOM 1359 N PHE A 85 4.569 -12.602 1.422 1.00 0.00 N ATOM 1360 CA PHE A 85 5.356 -11.994 0.346 1.00 0.00 C ATOM 1361 C PHE A 85 5.081 -10.497 0.175 1.00 0.00 C ATOM 1362 O PHE A 85 6.007 -9.707 0.016 1.00 0.00 O ATOM 1363 CB PHE A 85 5.072 -12.711 -0.975 1.00 0.00 C ATOM 1364 CG PHE A 85 5.963 -13.892 -1.238 1.00 0.00 C ATOM 1365 CD1 PHE A 85 7.320 -13.835 -0.963 1.00 0.00 C ATOM 1366 CD2 PHE A 85 5.438 -15.060 -1.769 1.00 0.00 C ATOM 1367 CE1 PHE A 85 8.137 -14.923 -1.211 1.00 0.00 C ATOM 1368 CE2 PHE A 85 6.250 -16.149 -2.021 1.00 0.00 C ATOM 1369 CZ PHE A 85 7.601 -16.081 -1.742 1.00 0.00 C ATOM 0 H PHE A 85 3.883 -13.286 1.103 1.00 0.00 H new ATOM 0 HA PHE A 85 6.404 -12.103 0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.034 -13.045 -0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.181 -11.999 -1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.744 -12.931 -0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.382 -15.119 -1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.193 -14.868 -0.990 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.829 -17.053 -2.436 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.237 -16.931 -1.938 1.00 0.00 H new ATOM 1379 N GLU A 86 3.810 -10.115 0.170 1.00 0.00 N ATOM 1380 CA GLU A 86 3.425 -8.711 -0.026 1.00 0.00 C ATOM 1381 C GLU A 86 4.320 -7.741 0.749 1.00 0.00 C ATOM 1382 O GLU A 86 4.756 -6.727 0.204 1.00 0.00 O ATOM 1383 CB GLU A 86 1.964 -8.483 0.369 1.00 0.00 C ATOM 1384 CG GLU A 86 1.054 -9.655 0.055 1.00 0.00 C ATOM 1385 CD GLU A 86 -0.351 -9.225 -0.322 1.00 0.00 C ATOM 1386 OE1 GLU A 86 -0.796 -8.163 0.158 1.00 0.00 O ATOM 1387 OE2 GLU A 86 -1.005 -9.954 -1.098 1.00 0.00 O ATOM 0 H GLU A 86 3.024 -10.752 0.299 1.00 0.00 H new ATOM 0 HA GLU A 86 3.553 -8.506 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.915 -8.273 1.438 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.592 -7.598 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.484 -10.233 -0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.007 -10.315 0.922 1.00 0.00 H new ATOM 1394 N ASP A 87 4.575 -8.036 2.019 1.00 0.00 N ATOM 1395 CA ASP A 87 5.399 -7.157 2.848 1.00 0.00 C ATOM 1396 C ASP A 87 6.876 -7.556 2.824 1.00 0.00 C ATOM 1397 O ASP A 87 7.753 -6.694 2.784 1.00 0.00 O ATOM 1398 CB ASP A 87 4.882 -7.140 4.290 1.00 0.00 C ATOM 1399 CG ASP A 87 4.597 -8.530 4.825 1.00 0.00 C ATOM 1400 OD1 ASP A 87 3.767 -9.240 4.219 1.00 0.00 O ATOM 1401 OD2 ASP A 87 5.201 -8.906 5.851 1.00 0.00 O ATOM 0 H ASP A 87 4.228 -8.868 2.496 1.00 0.00 H new ATOM 0 HA ASP A 87 5.323 -6.155 2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.618 -6.652 4.930 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.972 -6.543 4.338 1.00 0.00 H new ATOM 1406 N LEU A 88 7.152 -8.856 2.858 1.00 0.00 N ATOM 1407 CA LEU A 88 8.533 -9.338 2.847 1.00 0.00 C ATOM 1408 C LEU A 88 9.176 -9.142 1.478 1.00 0.00 C ATOM 1409 O LEU A 88 10.346 -8.760 1.380 1.00 0.00 O ATOM 1410 CB LEU A 88 8.591 -10.821 3.231 1.00 0.00 C ATOM 1411 CG LEU A 88 8.648 -11.111 4.733 1.00 0.00 C ATOM 1412 CD1 LEU A 88 9.900 -10.507 5.354 1.00 0.00 C ATOM 1413 CD2 LEU A 88 7.399 -10.586 5.427 1.00 0.00 C ATOM 0 H LEU A 88 6.446 -9.591 2.893 1.00 0.00 H new ATOM 0 HA LEU A 88 9.089 -8.754 3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.716 -11.321 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.467 -11.267 2.759 1.00 0.00 H new ATOM 0 HG LEU A 88 8.689 -12.192 4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.919 -10.726 6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.784 -10.935 4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.895 -9.427 5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.458 -10.801 6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.325 -9.509 5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.518 -11.071 5.007 1.00 0.00 H new ATOM 1425 N ARG A 89 8.402 -9.418 0.429 1.00 0.00 N ATOM 1426 CA ARG A 89 8.865 -9.291 -0.954 1.00 0.00 C ATOM 1427 C ARG A 89 10.298 -9.789 -1.111 1.00 0.00 C ATOM 1428 O ARG A 89 11.075 -9.242 -1.892 1.00 0.00 O ATOM 1429 CB ARG A 89 8.747 -7.839 -1.431 1.00 0.00 C ATOM 1430 CG ARG A 89 9.783 -6.901 -0.834 1.00 0.00 C ATOM 1431 CD ARG A 89 9.463 -5.448 -1.146 1.00 0.00 C ATOM 1432 NE ARG A 89 8.896 -4.762 0.012 1.00 0.00 N ATOM 1433 CZ ARG A 89 7.692 -4.193 0.033 1.00 0.00 C ATOM 1434 NH1 ARG A 89 6.925 -4.184 -1.050 1.00 0.00 N ATOM 1435 NH2 ARG A 89 7.252 -3.631 1.148 1.00 0.00 N ATOM 0 H ARG A 89 7.436 -9.736 0.513 1.00 0.00 H new ATOM 0 HA ARG A 89 8.225 -9.917 -1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.836 -7.817 -2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.752 -7.467 -1.185 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.824 -7.042 0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.769 -7.150 -1.225 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.370 -4.935 -1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.761 -5.400 -1.978 1.00 0.00 H new ATOM 0 HE ARG A 89 9.459 -4.716 0.861 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.256 -4.616 -1.913 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.005 -3.745 -1.020 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.834 -3.635 1.985 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.331 -3.194 1.170 1.00 0.00 H new ATOM 1449 N ARG A 90 10.640 -10.831 -0.358 1.00 0.00 N ATOM 1450 CA ARG A 90 11.980 -11.404 -0.406 1.00 0.00 C ATOM 1451 C ARG A 90 13.034 -10.322 -0.194 1.00 0.00 C ATOM 1452 O ARG A 90 13.379 -9.589 -1.120 1.00 0.00 O ATOM 1453 CB ARG A 90 12.208 -12.118 -1.741 1.00 0.00 C ATOM 1454 CG ARG A 90 12.155 -13.634 -1.631 1.00 0.00 C ATOM 1455 CD ARG A 90 12.501 -14.306 -2.949 1.00 0.00 C ATOM 1456 NE ARG A 90 13.820 -13.909 -3.440 1.00 0.00 N ATOM 1457 CZ ARG A 90 14.026 -12.920 -4.310 1.00 0.00 C ATOM 1458 NH1 ARG A 90 13.006 -12.213 -4.783 1.00 0.00 N ATOM 1459 NH2 ARG A 90 15.259 -12.635 -4.705 1.00 0.00 N ATOM 0 H ARG A 90 10.007 -11.295 0.293 1.00 0.00 H new ATOM 0 HA ARG A 90 12.071 -12.134 0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.455 -11.786 -2.455 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.178 -11.824 -2.141 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.849 -13.967 -0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.158 -13.941 -1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.473 -15.388 -2.822 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.746 -14.053 -3.694 1.00 0.00 H new ATOM 0 HE ARG A 90 14.633 -14.420 -3.096 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.055 -12.425 -4.481 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.174 -11.458 -5.448 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.047 -13.172 -4.343 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.419 -11.879 -5.371 1.00 0.00 H new ATOM 1473 N SER A 91 13.529 -10.223 1.037 1.00 0.00 N ATOM 1474 CA SER A 91 14.535 -9.226 1.393 1.00 0.00 C ATOM 1475 C SER A 91 13.906 -7.845 1.508 1.00 0.00 C ATOM 1476 O SER A 91 14.453 -6.859 1.013 1.00 0.00 O ATOM 1477 CB SER A 91 15.679 -9.206 0.374 1.00 0.00 C ATOM 1478 OG SER A 91 16.263 -10.490 0.237 1.00 0.00 O ATOM 0 H SER A 91 13.247 -10.826 1.810 1.00 0.00 H new ATOM 0 HA SER A 91 14.949 -9.503 2.363 1.00 0.00 H new ATOM 0 HB2 SER A 91 15.304 -8.869 -0.592 1.00 0.00 H new ATOM 0 HB3 SER A 91 16.438 -8.490 0.689 1.00 0.00 H new ATOM 0 HG SER A 91 16.989 -10.451 -0.420 1.00 0.00 H new ATOM 1484 N TRP A 92 12.755 -7.785 2.174 1.00 0.00 N ATOM 1485 CA TRP A 92 12.046 -6.528 2.372 1.00 0.00 C ATOM 1486 C TRP A 92 13.015 -5.411 2.764 1.00 0.00 C ATOM 1487 O TRP A 92 13.299 -4.547 1.942 1.00 0.00 O ATOM 1488 CB TRP A 92 10.890 -6.739 3.380 1.00 0.00 C ATOM 1489 CG TRP A 92 10.988 -6.000 4.684 1.00 0.00 C ATOM 1490 CD1 TRP A 92 10.564 -4.730 4.943 1.00 0.00 C ATOM 1491 CD2 TRP A 92 11.525 -6.503 5.915 1.00 0.00 C ATOM 1492 NE1 TRP A 92 10.807 -4.410 6.256 1.00 0.00 N ATOM 1493 CE2 TRP A 92 11.398 -5.483 6.873 1.00 0.00 C ATOM 1494 CE3 TRP A 92 12.101 -7.719 6.298 1.00 0.00 C ATOM 1495 CZ2 TRP A 92 11.827 -5.640 8.187 1.00 0.00 C ATOM 1496 CZ3 TRP A 92 12.527 -7.873 7.603 1.00 0.00 C ATOM 1497 CH2 TRP A 92 12.387 -6.839 8.535 1.00 0.00 C ATOM 0 H TRP A 92 12.294 -8.596 2.586 1.00 0.00 H new ATOM 0 HA TRP A 92 11.593 -6.202 1.436 1.00 0.00 H new ATOM 0 HB2 TRP A 92 9.958 -6.450 2.894 1.00 0.00 H new ATOM 0 HB3 TRP A 92 10.819 -7.805 3.597 1.00 0.00 H new ATOM 0 HD1 TRP A 92 10.104 -4.072 4.221 1.00 0.00 H new ATOM 0 HE1 TRP A 92 10.584 -3.519 6.700 1.00 0.00 H new ATOM 0 HE3 TRP A 92 12.211 -8.523 5.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 11.722 -4.843 8.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 12.975 -8.807 7.909 1.00 0.00 H new ATOM 0 HH2 TRP A 92 12.728 -6.990 9.549 1.00 0.00 H new ATOM 1508 N GLU A 93 13.539 -5.427 3.990 1.00 0.00 N ATOM 1509 CA GLU A 93 14.482 -4.394 4.447 1.00 0.00 C ATOM 1510 C GLU A 93 14.018 -2.972 4.087 1.00 0.00 C ATOM 1511 O GLU A 93 14.655 -1.990 4.472 1.00 0.00 O ATOM 1512 CB GLU A 93 15.873 -4.645 3.864 1.00 0.00 C ATOM 1513 CG GLU A 93 16.983 -3.941 4.630 1.00 0.00 C ATOM 1514 CD GLU A 93 18.343 -4.568 4.396 1.00 0.00 C ATOM 1515 OE1 GLU A 93 18.809 -4.558 3.238 1.00 0.00 O ATOM 1516 OE2 GLU A 93 18.942 -5.067 5.372 1.00 0.00 O ATOM 0 H GLU A 93 13.329 -6.141 4.687 1.00 0.00 H new ATOM 0 HA GLU A 93 14.520 -4.462 5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 93 16.069 -5.717 3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 93 15.890 -4.312 2.826 1.00 0.00 H new ATOM 0 HG2 GLU A 93 17.015 -2.892 4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 93 16.755 -3.964 5.696 1.00 0.00 H new ATOM 1523 N ILE A 94 12.911 -2.869 3.357 1.00 0.00 N ATOM 1524 CA ILE A 94 12.358 -1.593 2.950 1.00 0.00 C ATOM 1525 C ILE A 94 10.951 -1.772 2.417 1.00 0.00 C ATOM 1526 O ILE A 94 10.687 -2.625 1.571 1.00 0.00 O ATOM 1527 CB ILE A 94 13.215 -0.889 1.882 1.00 0.00 C ATOM 1528 CG1 ILE A 94 12.547 0.416 1.429 1.00 0.00 C ATOM 1529 CG2 ILE A 94 13.460 -1.802 0.690 1.00 0.00 C ATOM 1530 CD1 ILE A 94 13.467 1.616 1.468 1.00 0.00 C ATOM 0 H ILE A 94 12.375 -3.674 3.033 1.00 0.00 H new ATOM 0 HA ILE A 94 12.347 -0.963 3.839 1.00 0.00 H new ATOM 0 HB ILE A 94 14.180 -0.649 2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.173 0.289 0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.683 0.611 2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.068 -1.280 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 94 13.982 -2.700 1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 94 12.506 -2.081 0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 94 12.925 2.501 1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 94 13.821 1.770 2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 94 14.319 1.443 0.810 1.00 0.00 H new ATOM 1542 N GLU A 95 10.063 -0.954 2.930 1.00 0.00 N ATOM 1543 CA GLU A 95 8.664 -0.987 2.537 1.00 0.00 C ATOM 1544 C GLU A 95 8.466 -0.309 1.189 1.00 0.00 C ATOM 1545 O GLU A 95 8.381 -1.033 0.174 1.00 0.00 O ATOM 1546 CB GLU A 95 7.797 -0.310 3.597 1.00 0.00 C ATOM 1547 CG GLU A 95 6.372 -0.832 3.635 1.00 0.00 C ATOM 1548 CD GLU A 95 6.269 -2.212 4.253 1.00 0.00 C ATOM 1549 OE1 GLU A 95 7.011 -3.117 3.815 1.00 0.00 O ATOM 1550 OE2 GLU A 95 5.445 -2.390 5.175 1.00 0.00 O ATOM 1551 OXT GLU A 95 8.402 0.938 1.156 1.00 0.00 O ATOM 0 H GLU A 95 10.284 -0.246 3.631 1.00 0.00 H new ATOM 0 HA GLU A 95 8.361 -2.030 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 95 8.255 -0.454 4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 95 7.778 0.763 3.408 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.751 -0.138 4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.974 -0.862 2.621 1.00 0.00 H new TER 1558 GLU A 95