USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 608 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 35 SER OG : rot -170:sc= 0.714 USER MOD Set 1.2: A 59 ASN : amide:sc= 0.813 X(o=1.5,f=1.4) USER MOD Set 2.1: A 1 MET N :NH3+ 174:sc= 0.925 (180deg=-0.147) USER MOD Set 2.2: A 4 THR OG1 : rot -167:sc= 0.991 USER MOD Single : A 1 MET CE :methyl 179:sc= -2.88 (180deg=-2.88) USER MOD Single : A 2 ASN : amide:sc=-0.00238 K(o=-0.0024,f=-5.1!) USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= -0.518 (180deg=-1.2) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 126:sc= 0.584 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -114:sc= 0.966 USER MOD Single : A 34 SER OG : rot 160:sc= -0.633 USER MOD Single : A 38 SER OG : rot -7:sc= -0.513 USER MOD Single : A 40 GLN : amide:sc= -0.814 X(o=-0.81,f=-0.35) USER MOD Single : A 42 MET CE :methyl 162:sc= -0.491 (180deg=-1.16) USER MOD Single : A 56 ASN : amide:sc= -0.0225 K(o=-0.023,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 170:sc= -0.0875 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 153:sc= 0.585 (180deg=-0.929!) USER MOD Single : A 72 THR OG1 : rot 76:sc= 0.0458 USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= 1.13 (180deg=0.822) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.306 0.083 10.811 1.00 0.00 N ATOM 2 CA MET A 1 1.948 -0.161 9.498 1.00 0.00 C ATOM 3 C MET A 1 1.064 -1.032 8.604 1.00 0.00 C ATOM 4 O MET A 1 0.459 -0.520 7.672 1.00 0.00 O ATOM 5 CB MET A 1 3.340 -0.793 9.675 1.00 0.00 C ATOM 6 CG MET A 1 4.370 0.168 10.262 1.00 0.00 C ATOM 7 SD MET A 1 5.915 -0.642 10.719 1.00 0.00 S ATOM 8 CE MET A 1 6.514 -1.159 9.115 1.00 0.00 C ATOM 0 H1 MET A 1 1.968 0.589 11.433 1.00 0.00 H new ATOM 0 H2 MET A 1 0.449 0.657 10.677 1.00 0.00 H new ATOM 0 H3 MET A 1 1.049 -0.826 11.246 1.00 0.00 H new ATOM 0 HA MET A 1 2.074 0.803 9.005 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.256 -1.665 10.324 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.695 -1.149 8.708 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.580 0.954 9.536 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.946 0.652 11.142 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.475 -1.661 9.230 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.798 -1.845 8.663 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.635 -0.286 8.473 1.00 0.00 H new ATOM 17 N ASN A 2 0.960 -2.330 8.902 1.00 0.00 N ATOM 18 CA ASN A 2 0.224 -3.267 8.035 1.00 0.00 C ATOM 19 C ASN A 2 -1.195 -2.768 7.729 1.00 0.00 C ATOM 20 O ASN A 2 -1.629 -2.771 6.572 1.00 0.00 O ATOM 21 CB ASN A 2 0.179 -4.677 8.656 1.00 0.00 C ATOM 22 CG ASN A 2 -0.580 -4.750 9.975 1.00 0.00 C ATOM 23 OD1 ASN A 2 -0.648 -3.780 10.734 1.00 0.00 O ATOM 24 ND2 ASN A 2 -1.143 -5.913 10.267 1.00 0.00 N ATOM 0 H ASN A 2 1.372 -2.758 9.731 1.00 0.00 H new ATOM 0 HA ASN A 2 0.766 -3.322 7.091 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.283 -5.361 7.945 1.00 0.00 H new ATOM 0 HB3 ASN A 2 1.199 -5.025 8.816 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.653 -6.027 11.143 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.067 -6.694 9.616 1.00 0.00 H new ATOM 31 N ALA A 3 -1.907 -2.323 8.759 1.00 0.00 N ATOM 32 CA ALA A 3 -3.252 -1.778 8.589 1.00 0.00 C ATOM 33 C ALA A 3 -3.178 -0.339 8.084 1.00 0.00 C ATOM 34 O ALA A 3 -3.939 0.063 7.205 1.00 0.00 O ATOM 35 CB ALA A 3 -4.028 -1.853 9.901 1.00 0.00 C ATOM 0 H ALA A 3 -1.575 -2.329 9.723 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.781 -2.376 7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.028 -1.443 9.756 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.105 -2.893 10.219 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.507 -1.277 10.666 1.00 0.00 H new ATOM 41 N THR A 4 -2.225 0.411 8.630 1.00 0.00 N ATOM 42 CA THR A 4 -2.004 1.812 8.269 1.00 0.00 C ATOM 43 C THR A 4 -1.868 1.984 6.752 1.00 0.00 C ATOM 44 O THR A 4 -2.441 2.898 6.155 1.00 0.00 O ATOM 45 CB THR A 4 -0.714 2.322 8.953 1.00 0.00 C ATOM 46 OG1 THR A 4 -0.737 1.981 10.348 1.00 0.00 O ATOM 47 CG2 THR A 4 -0.547 3.828 8.791 1.00 0.00 C ATOM 0 H THR A 4 -1.580 0.064 9.340 1.00 0.00 H new ATOM 0 HA THR A 4 -2.866 2.388 8.605 1.00 0.00 H new ATOM 0 HB THR A 4 0.135 1.839 8.468 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.032 2.475 10.817 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.371 4.148 9.285 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.494 4.076 7.731 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.398 4.339 9.241 1.00 0.00 H new ATOM 55 N ILE A 5 -1.114 1.077 6.145 1.00 0.00 N ATOM 56 CA ILE A 5 -0.834 1.111 4.718 1.00 0.00 C ATOM 57 C ILE A 5 -2.119 0.963 3.902 1.00 0.00 C ATOM 58 O ILE A 5 -2.450 1.838 3.108 1.00 0.00 O ATOM 59 CB ILE A 5 0.195 0.010 4.343 1.00 0.00 C ATOM 60 CG1 ILE A 5 1.538 0.292 5.055 1.00 0.00 C ATOM 61 CG2 ILE A 5 0.385 -0.076 2.827 1.00 0.00 C ATOM 62 CD1 ILE A 5 2.471 -0.902 5.137 1.00 0.00 C ATOM 0 H ILE A 5 -0.678 0.294 6.632 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.401 2.082 4.477 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.187 -0.955 4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.049 1.101 4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.332 0.646 6.065 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.111 -0.855 2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.567 -0.315 2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.747 0.881 2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.387 -0.613 5.651 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.984 -1.707 5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.712 -1.245 4.131 1.00 0.00 H new ATOM 74 N ARG A 6 -2.867 -0.117 4.117 1.00 0.00 N ATOM 75 CA ARG A 6 -4.128 -0.307 3.392 1.00 0.00 C ATOM 76 C ARG A 6 -5.121 0.799 3.751 1.00 0.00 C ATOM 77 O ARG A 6 -6.004 1.140 2.964 1.00 0.00 O ATOM 78 CB ARG A 6 -4.750 -1.684 3.679 1.00 0.00 C ATOM 79 CG ARG A 6 -5.068 -1.937 5.153 1.00 0.00 C ATOM 80 CD ARG A 6 -6.061 -3.082 5.335 1.00 0.00 C ATOM 81 NE ARG A 6 -7.396 -2.730 4.831 1.00 0.00 N ATOM 82 CZ ARG A 6 -8.348 -3.617 4.527 1.00 0.00 C ATOM 83 NH1 ARG A 6 -8.118 -4.919 4.639 1.00 0.00 N ATOM 84 NH2 ARG A 6 -9.541 -3.203 4.118 1.00 0.00 N ATOM 0 H ARG A 6 -2.632 -0.862 4.773 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.902 -0.258 2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.668 -1.783 3.099 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.067 -2.458 3.329 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.147 -2.167 5.688 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.476 -1.029 5.597 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.696 -3.966 4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.128 -3.341 6.392 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.610 -1.741 4.705 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.208 -5.250 4.960 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.851 -5.588 4.405 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.734 -2.205 4.035 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.265 -3.883 3.887 1.00 0.00 H new ATOM 98 N GLU A 7 -4.954 1.369 4.942 1.00 0.00 N ATOM 99 CA GLU A 7 -5.842 2.414 5.436 1.00 0.00 C ATOM 100 C GLU A 7 -5.601 3.737 4.705 1.00 0.00 C ATOM 101 O GLU A 7 -6.496 4.588 4.632 1.00 0.00 O ATOM 102 CB GLU A 7 -5.648 2.590 6.946 1.00 0.00 C ATOM 103 CG GLU A 7 -6.536 3.656 7.575 1.00 0.00 C ATOM 104 CD GLU A 7 -6.314 3.785 9.072 1.00 0.00 C ATOM 105 OE1 GLU A 7 -5.280 4.361 9.470 1.00 0.00 O ATOM 106 OE2 GLU A 7 -7.162 3.308 9.852 1.00 0.00 O ATOM 0 H GLU A 7 -4.204 1.120 5.587 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.871 2.112 5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.841 1.637 7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.605 2.843 7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.340 4.616 7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.581 3.413 7.385 1.00 0.00 H new ATOM 113 N ILE A 8 -4.397 3.928 4.163 1.00 0.00 N ATOM 114 CA ILE A 8 -4.107 5.153 3.429 1.00 0.00 C ATOM 115 C ILE A 8 -4.753 5.111 2.041 1.00 0.00 C ATOM 116 O ILE A 8 -5.174 6.144 1.518 1.00 0.00 O ATOM 117 CB ILE A 8 -2.587 5.455 3.299 1.00 0.00 C ATOM 118 CG1 ILE A 8 -2.388 6.957 3.036 1.00 0.00 C ATOM 119 CG2 ILE A 8 -1.947 4.630 2.185 1.00 0.00 C ATOM 120 CD1 ILE A 8 -0.949 7.372 2.859 1.00 0.00 C ATOM 0 H ILE A 8 -3.625 3.264 4.218 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.537 5.965 4.015 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.097 5.178 4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.946 7.234 2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.816 7.519 3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.885 4.866 2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.071 3.569 2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.428 4.865 1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.900 8.446 2.678 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.387 7.130 3.761 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.519 6.841 2.010 1.00 0.00 H new ATOM 132 N LEU A 9 -4.841 3.913 1.455 1.00 0.00 N ATOM 133 CA LEU A 9 -5.472 3.739 0.141 1.00 0.00 C ATOM 134 C LEU A 9 -6.902 4.275 0.154 1.00 0.00 C ATOM 135 O LEU A 9 -7.381 4.814 -0.842 1.00 0.00 O ATOM 136 CB LEU A 9 -5.474 2.259 -0.290 1.00 0.00 C ATOM 137 CG LEU A 9 -4.153 1.722 -0.873 1.00 0.00 C ATOM 138 CD1 LEU A 9 -3.725 2.543 -2.089 1.00 0.00 C ATOM 139 CD2 LEU A 9 -3.049 1.702 0.180 1.00 0.00 C ATOM 0 H LEU A 9 -4.485 3.051 1.868 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.885 4.307 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.740 1.650 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.259 2.119 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.325 0.695 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.790 2.147 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.497 2.486 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.582 3.583 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.130 1.318 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.879 2.714 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.348 1.060 1.009 1.00 0.00 H new ATOM 151 N ALA A 10 -7.565 4.139 1.297 1.00 0.00 N ATOM 152 CA ALA A 10 -8.941 4.597 1.457 1.00 0.00 C ATOM 153 C ALA A 10 -9.063 6.110 1.246 1.00 0.00 C ATOM 154 O ALA A 10 -10.101 6.600 0.797 1.00 0.00 O ATOM 155 CB ALA A 10 -9.463 4.207 2.836 1.00 0.00 C ATOM 0 H ALA A 10 -7.168 3.711 2.134 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.548 4.111 0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.491 4.553 2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.431 3.123 2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.841 4.666 3.604 1.00 0.00 H new ATOM 161 N LYS A 11 -8.002 6.847 1.575 1.00 0.00 N ATOM 162 CA LYS A 11 -8.018 8.311 1.488 1.00 0.00 C ATOM 163 C LYS A 11 -7.092 8.840 0.382 1.00 0.00 C ATOM 164 O LYS A 11 -7.543 9.532 -0.529 1.00 0.00 O ATOM 165 CB LYS A 11 -7.669 8.936 2.855 1.00 0.00 C ATOM 166 CG LYS A 11 -6.624 8.163 3.660 1.00 0.00 C ATOM 167 CD LYS A 11 -6.300 8.865 4.980 1.00 0.00 C ATOM 168 CE LYS A 11 -5.429 8.008 5.896 1.00 0.00 C ATOM 169 NZ LYS A 11 -6.163 6.823 6.421 1.00 0.00 N ATOM 0 H LYS A 11 -7.119 6.456 1.905 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.030 8.611 1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.306 9.951 2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.581 9.014 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.991 7.157 3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.714 8.058 3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.789 9.805 4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.229 9.113 5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.547 7.674 5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.076 8.614 6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.665 6.446 7.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.127 7.104 6.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.211 6.090 5.685 1.00 0.00 H new ATOM 183 N PHE A 12 -5.802 8.523 0.463 1.00 0.00 N ATOM 184 CA PHE A 12 -4.823 9.014 -0.516 1.00 0.00 C ATOM 185 C PHE A 12 -4.874 8.209 -1.815 1.00 0.00 C ATOM 186 O PHE A 12 -4.606 8.742 -2.892 1.00 0.00 O ATOM 187 CB PHE A 12 -3.403 8.970 0.068 1.00 0.00 C ATOM 188 CG PHE A 12 -3.112 10.065 1.070 1.00 0.00 C ATOM 189 CD1 PHE A 12 -3.793 10.127 2.278 1.00 0.00 C ATOM 190 CD2 PHE A 12 -2.149 11.029 0.802 1.00 0.00 C ATOM 191 CE1 PHE A 12 -3.522 11.127 3.193 1.00 0.00 C ATOM 192 CE2 PHE A 12 -1.874 12.032 1.715 1.00 0.00 C ATOM 193 CZ PHE A 12 -2.562 12.080 2.912 1.00 0.00 C ATOM 0 H PHE A 12 -5.406 7.930 1.193 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.084 10.047 -0.745 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.249 8.003 0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.684 9.039 -0.748 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.544 9.385 2.506 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.607 10.996 -0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.061 11.163 4.128 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.123 12.776 1.492 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.350 12.861 3.627 1.00 0.00 H new ATOM 203 N GLY A 13 -5.215 6.931 -1.708 1.00 0.00 N ATOM 204 CA GLY A 13 -5.234 6.064 -2.875 1.00 0.00 C ATOM 205 C GLY A 13 -6.396 6.365 -3.803 1.00 0.00 C ATOM 206 O GLY A 13 -7.557 6.231 -3.410 1.00 0.00 O ATOM 0 H GLY A 13 -5.479 6.477 -0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.298 6.176 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.292 5.025 -2.551 1.00 0.00 H new ATOM 210 N GLN A 14 -6.091 6.770 -5.035 1.00 0.00 N ATOM 211 CA GLN A 14 -7.122 7.076 -6.028 1.00 0.00 C ATOM 212 C GLN A 14 -7.640 5.784 -6.674 1.00 0.00 C ATOM 213 O GLN A 14 -7.595 5.612 -7.894 1.00 0.00 O ATOM 214 CB GLN A 14 -6.570 8.033 -7.099 1.00 0.00 C ATOM 215 CG GLN A 14 -7.647 8.636 -7.997 1.00 0.00 C ATOM 216 CD GLN A 14 -7.072 9.476 -9.124 1.00 0.00 C ATOM 217 OE1 GLN A 14 -6.857 10.681 -8.977 1.00 0.00 O ATOM 218 NE2 GLN A 14 -6.822 8.845 -10.261 1.00 0.00 N ATOM 0 H GLN A 14 -5.136 6.894 -5.371 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.954 7.568 -5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.026 8.839 -6.607 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.852 7.496 -7.718 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.252 7.834 -8.420 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.313 9.253 -7.394 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.014 7.847 -10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.438 9.357 -11.055 1.00 0.00 H new ATOM 227 N LEU A 15 -8.103 4.869 -5.833 1.00 0.00 N ATOM 228 CA LEU A 15 -8.693 3.618 -6.289 1.00 0.00 C ATOM 229 C LEU A 15 -10.157 3.863 -6.675 1.00 0.00 C ATOM 230 O LEU A 15 -10.918 4.414 -5.880 1.00 0.00 O ATOM 231 CB LEU A 15 -8.596 2.563 -5.171 1.00 0.00 C ATOM 232 CG LEU A 15 -8.918 1.113 -5.581 1.00 0.00 C ATOM 233 CD1 LEU A 15 -7.936 0.611 -6.632 1.00 0.00 C ATOM 234 CD2 LEU A 15 -8.905 0.193 -4.361 1.00 0.00 C ATOM 0 H LEU A 15 -8.080 4.973 -4.819 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.154 3.248 -7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.586 2.588 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.273 2.851 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.918 1.102 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.186 -0.415 -6.903 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.994 1.245 -7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.924 0.643 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.135 -0.826 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.919 0.218 -3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.652 0.531 -3.643 1.00 0.00 H new ATOM 246 N PRO A 16 -10.576 3.460 -7.892 1.00 0.00 N ATOM 247 CA PRO A 16 -11.942 3.704 -8.383 1.00 0.00 C ATOM 248 C PRO A 16 -12.949 2.752 -7.748 1.00 0.00 C ATOM 249 O PRO A 16 -14.165 2.914 -7.887 1.00 0.00 O ATOM 250 CB PRO A 16 -11.824 3.441 -9.888 1.00 0.00 C ATOM 251 CG PRO A 16 -10.716 2.452 -10.018 1.00 0.00 C ATOM 252 CD PRO A 16 -9.765 2.716 -8.875 1.00 0.00 C ATOM 0 HA PRO A 16 -12.300 4.705 -8.142 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.755 3.047 -10.295 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.601 4.358 -10.433 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.100 1.433 -9.975 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.209 2.562 -10.977 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.382 1.787 -8.453 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.903 3.297 -9.201 1.00 0.00 H new ATOM 260 N THR A 17 -12.421 1.764 -7.050 1.00 0.00 N ATOM 261 CA THR A 17 -13.208 0.735 -6.417 1.00 0.00 C ATOM 262 C THR A 17 -12.979 0.786 -4.902 1.00 0.00 C ATOM 263 O THR A 17 -11.848 0.981 -4.460 1.00 0.00 O ATOM 264 CB THR A 17 -12.789 -0.632 -6.993 1.00 0.00 C ATOM 265 OG1 THR A 17 -13.226 -0.751 -8.356 1.00 0.00 O ATOM 266 CG2 THR A 17 -13.327 -1.787 -6.173 1.00 0.00 C ATOM 0 H THR A 17 -11.417 1.657 -6.908 1.00 0.00 H new ATOM 0 HA THR A 17 -14.270 0.889 -6.610 1.00 0.00 H new ATOM 0 HB THR A 17 -11.701 -0.681 -6.953 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.462 -0.980 -8.926 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.006 -2.729 -6.617 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.947 -1.718 -5.154 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.416 -1.746 -6.157 1.00 0.00 H new ATOM 274 N PRO A 18 -14.044 0.634 -4.090 1.00 0.00 N ATOM 275 CA PRO A 18 -13.938 0.735 -2.630 1.00 0.00 C ATOM 276 C PRO A 18 -12.953 -0.281 -2.053 1.00 0.00 C ATOM 277 O PRO A 18 -13.088 -1.486 -2.279 1.00 0.00 O ATOM 278 CB PRO A 18 -15.372 0.464 -2.133 1.00 0.00 C ATOM 279 CG PRO A 18 -16.072 -0.188 -3.280 1.00 0.00 C ATOM 280 CD PRO A 18 -15.422 0.351 -4.525 1.00 0.00 C ATOM 0 HA PRO A 18 -13.556 1.706 -2.315 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.368 -0.183 -1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.869 1.390 -1.844 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -15.977 -1.273 -3.229 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.138 0.040 -3.267 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.447 -0.374 -5.338 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.923 1.250 -4.884 1.00 0.00 H new ATOM 288 N VAL A 19 -11.965 0.214 -1.304 1.00 0.00 N ATOM 289 CA VAL A 19 -10.964 -0.643 -0.663 1.00 0.00 C ATOM 290 C VAL A 19 -11.651 -1.672 0.238 1.00 0.00 C ATOM 291 O VAL A 19 -11.121 -2.751 0.504 1.00 0.00 O ATOM 292 CB VAL A 19 -9.956 0.196 0.170 1.00 0.00 C ATOM 293 CG1 VAL A 19 -8.863 -0.687 0.775 1.00 0.00 C ATOM 294 CG2 VAL A 19 -9.345 1.306 -0.689 1.00 0.00 C ATOM 0 H VAL A 19 -11.836 1.210 -1.126 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.412 -1.160 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.502 0.656 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.174 -0.070 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.317 -1.432 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.318 -1.190 -0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.641 1.884 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.822 0.864 -1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.136 1.962 -1.053 1.00 0.00 H new ATOM 304 N ASP A 20 -12.853 -1.320 0.669 1.00 0.00 N ATOM 305 CA ASP A 20 -13.692 -2.176 1.505 1.00 0.00 C ATOM 306 C ASP A 20 -13.932 -3.550 0.864 1.00 0.00 C ATOM 307 O ASP A 20 -14.187 -4.535 1.565 1.00 0.00 O ATOM 308 CB ASP A 20 -15.031 -1.464 1.740 1.00 0.00 C ATOM 309 CG ASP A 20 -15.996 -2.251 2.612 1.00 0.00 C ATOM 310 OD1 ASP A 20 -15.825 -2.245 3.850 1.00 0.00 O ATOM 311 OD2 ASP A 20 -16.948 -2.850 2.064 1.00 0.00 O ATOM 0 H ASP A 20 -13.282 -0.421 0.447 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.178 -2.351 2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.841 -0.496 2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.502 -1.268 0.777 1.00 0.00 H new ATOM 316 N THR A 21 -13.844 -3.618 -0.465 1.00 0.00 N ATOM 317 CA THR A 21 -14.140 -4.851 -1.193 1.00 0.00 C ATOM 318 C THR A 21 -12.885 -5.721 -1.360 1.00 0.00 C ATOM 319 O THR A 21 -12.985 -6.923 -1.627 1.00 0.00 O ATOM 320 CB THR A 21 -14.761 -4.545 -2.584 1.00 0.00 C ATOM 321 OG1 THR A 21 -15.466 -5.692 -3.079 1.00 0.00 O ATOM 322 CG2 THR A 21 -13.699 -4.139 -3.602 1.00 0.00 C ATOM 0 H THR A 21 -13.570 -2.834 -1.058 1.00 0.00 H new ATOM 0 HA THR A 21 -14.866 -5.406 -0.600 1.00 0.00 H new ATOM 0 HB THR A 21 -15.450 -3.711 -2.451 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.853 -5.485 -3.955 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.174 -3.934 -4.561 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.184 -3.244 -3.253 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.979 -4.949 -3.720 1.00 0.00 H new ATOM 330 N ILE A 22 -11.708 -5.118 -1.193 1.00 0.00 N ATOM 331 CA ILE A 22 -10.439 -5.839 -1.345 1.00 0.00 C ATOM 332 C ILE A 22 -9.788 -6.076 0.021 1.00 0.00 C ATOM 333 O ILE A 22 -10.314 -5.652 1.051 1.00 0.00 O ATOM 334 CB ILE A 22 -9.445 -5.084 -2.276 1.00 0.00 C ATOM 335 CG1 ILE A 22 -9.188 -3.658 -1.757 1.00 0.00 C ATOM 336 CG2 ILE A 22 -9.965 -5.055 -3.717 1.00 0.00 C ATOM 337 CD1 ILE A 22 -8.213 -2.859 -2.599 1.00 0.00 C ATOM 0 H ILE A 22 -11.604 -4.132 -0.952 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.671 -6.798 -1.809 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.497 -5.622 -2.270 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.136 -3.123 -1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.807 -3.717 -0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.255 -4.523 -4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.082 -6.075 -4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.929 -4.546 -3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.087 -1.867 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.250 -3.369 -2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.600 -2.766 -3.614 1.00 0.00 H new ATOM 349 N ALA A 23 -8.643 -6.758 0.019 1.00 0.00 N ATOM 350 CA ALA A 23 -7.931 -7.101 1.249 1.00 0.00 C ATOM 351 C ALA A 23 -6.499 -7.519 0.927 1.00 0.00 C ATOM 352 O ALA A 23 -6.133 -7.622 -0.243 1.00 0.00 O ATOM 353 CB ALA A 23 -8.656 -8.221 1.989 1.00 0.00 C ATOM 0 H ALA A 23 -8.185 -7.087 -0.831 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.904 -6.222 1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.113 -8.465 2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.665 -7.896 2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.708 -9.104 1.352 1.00 0.00 H new ATOM 359 N ASP A 24 -5.704 -7.780 1.963 1.00 0.00 N ATOM 360 CA ASP A 24 -4.310 -8.204 1.790 1.00 0.00 C ATOM 361 C ASP A 24 -4.248 -9.591 1.153 1.00 0.00 C ATOM 362 O ASP A 24 -3.294 -9.925 0.444 1.00 0.00 O ATOM 363 CB ASP A 24 -3.585 -8.220 3.143 1.00 0.00 C ATOM 364 CG ASP A 24 -4.183 -9.226 4.114 1.00 0.00 C ATOM 365 OD1 ASP A 24 -5.317 -8.993 4.585 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.535 -10.253 4.396 1.00 0.00 O ATOM 0 H ASP A 24 -6.000 -7.706 2.936 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.815 -7.491 1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.532 -8.455 2.984 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.626 -7.225 3.585 1.00 0.00 H new ATOM 371 N GLU A 25 -5.271 -10.396 1.427 1.00 0.00 N ATOM 372 CA GLU A 25 -5.398 -11.730 0.843 1.00 0.00 C ATOM 373 C GLU A 25 -6.003 -11.660 -0.559 1.00 0.00 C ATOM 374 O GLU A 25 -6.187 -12.684 -1.216 1.00 0.00 O ATOM 375 CB GLU A 25 -6.255 -12.621 1.754 1.00 0.00 C ATOM 376 CG GLU A 25 -5.521 -13.125 2.991 1.00 0.00 C ATOM 377 CD GLU A 25 -4.449 -14.147 2.646 1.00 0.00 C ATOM 378 OE1 GLU A 25 -4.768 -15.353 2.589 1.00 0.00 O ATOM 379 OE2 GLU A 25 -3.287 -13.747 2.414 1.00 0.00 O ATOM 0 H GLU A 25 -6.033 -10.144 2.057 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.402 -12.164 0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.136 -12.062 2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.609 -13.477 1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.064 -12.282 3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.238 -13.571 3.680 1.00 0.00 H new ATOM 386 N ALA A 26 -6.300 -10.445 -1.009 1.00 0.00 N ATOM 387 CA ALA A 26 -6.857 -10.221 -2.338 1.00 0.00 C ATOM 388 C ALA A 26 -5.883 -9.407 -3.186 1.00 0.00 C ATOM 389 O ALA A 26 -4.959 -8.784 -2.661 1.00 0.00 O ATOM 390 CB ALA A 26 -8.207 -9.515 -2.235 1.00 0.00 C ATOM 0 H ALA A 26 -6.162 -9.593 -0.466 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.013 -11.185 -2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.611 -9.354 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.897 -10.132 -1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.078 -8.554 -1.737 1.00 0.00 H new ATOM 396 N ASP A 27 -6.087 -9.418 -4.495 1.00 0.00 N ATOM 397 CA ASP A 27 -5.226 -8.681 -5.412 1.00 0.00 C ATOM 398 C ASP A 27 -5.747 -7.255 -5.568 1.00 0.00 C ATOM 399 O ASP A 27 -6.642 -6.995 -6.373 1.00 0.00 O ATOM 400 CB ASP A 27 -5.160 -9.390 -6.774 1.00 0.00 C ATOM 401 CG ASP A 27 -4.627 -10.815 -6.668 1.00 0.00 C ATOM 402 OD1 ASP A 27 -5.427 -11.740 -6.405 1.00 0.00 O ATOM 403 OD2 ASP A 27 -3.406 -11.022 -6.846 1.00 0.00 O ATOM 0 H ASP A 27 -6.843 -9.931 -4.948 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.216 -8.644 -5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.156 -9.410 -7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.523 -8.817 -7.447 1.00 0.00 H new ATOM 408 N LEU A 28 -5.186 -6.340 -4.778 1.00 0.00 N ATOM 409 CA LEU A 28 -5.651 -4.949 -4.727 1.00 0.00 C ATOM 410 C LEU A 28 -5.707 -4.317 -6.118 1.00 0.00 C ATOM 411 O LEU A 28 -6.662 -3.613 -6.452 1.00 0.00 O ATOM 412 CB LEU A 28 -4.748 -4.096 -3.813 1.00 0.00 C ATOM 413 CG LEU A 28 -4.846 -4.380 -2.299 1.00 0.00 C ATOM 414 CD1 LEU A 28 -4.242 -5.736 -1.942 1.00 0.00 C ATOM 415 CD2 LEU A 28 -4.178 -3.263 -1.498 1.00 0.00 C ATOM 0 H LEU A 28 -4.401 -6.538 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.661 -4.971 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.713 -4.241 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.986 -3.046 -3.980 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.903 -4.412 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.329 -5.902 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.775 -6.523 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.190 -5.752 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.258 -3.481 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.127 -3.194 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.673 -2.316 -1.712 1.00 0.00 H new ATOM 427 N TYR A 29 -4.688 -4.583 -6.929 1.00 0.00 N ATOM 428 CA TYR A 29 -4.586 -3.981 -8.258 1.00 0.00 C ATOM 429 C TYR A 29 -5.751 -4.389 -9.160 1.00 0.00 C ATOM 430 O TYR A 29 -6.122 -3.646 -10.069 1.00 0.00 O ATOM 431 CB TYR A 29 -3.240 -4.326 -8.912 1.00 0.00 C ATOM 432 CG TYR A 29 -2.909 -5.808 -8.932 1.00 0.00 C ATOM 433 CD1 TYR A 29 -3.297 -6.620 -9.994 1.00 0.00 C ATOM 434 CD2 TYR A 29 -2.198 -6.393 -7.889 1.00 0.00 C ATOM 435 CE1 TYR A 29 -2.984 -7.966 -10.015 1.00 0.00 C ATOM 436 CE2 TYR A 29 -1.885 -7.735 -7.903 1.00 0.00 C ATOM 437 CZ TYR A 29 -2.279 -8.517 -8.968 1.00 0.00 C ATOM 438 OH TYR A 29 -1.960 -9.857 -8.983 1.00 0.00 O ATOM 0 H TYR A 29 -3.920 -5.211 -6.691 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.639 -2.900 -8.130 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.243 -3.954 -9.936 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.447 -3.797 -8.383 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.852 -6.191 -10.815 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.886 -5.784 -7.053 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.290 -8.582 -10.847 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.334 -8.172 -7.084 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.435 -10.315 -8.258 1.00 0.00 H new ATOM 448 N ALA A 30 -6.349 -5.548 -8.882 1.00 0.00 N ATOM 449 CA ALA A 30 -7.480 -6.042 -9.669 1.00 0.00 C ATOM 450 C ALA A 30 -8.678 -5.102 -9.539 1.00 0.00 C ATOM 451 O ALA A 30 -9.507 -5.003 -10.447 1.00 0.00 O ATOM 452 CB ALA A 30 -7.855 -7.457 -9.238 1.00 0.00 C ATOM 0 H ALA A 30 -6.069 -6.163 -8.118 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.182 -6.071 -10.717 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.698 -7.808 -9.834 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.003 -8.121 -9.388 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.132 -7.455 -8.184 1.00 0.00 H new ATOM 458 N ALA A 31 -8.754 -4.401 -8.406 1.00 0.00 N ATOM 459 CA ALA A 31 -9.815 -3.423 -8.166 1.00 0.00 C ATOM 460 C ALA A 31 -9.635 -2.204 -9.070 1.00 0.00 C ATOM 461 O ALA A 31 -10.551 -1.395 -9.240 1.00 0.00 O ATOM 462 CB ALA A 31 -9.823 -3.003 -6.700 1.00 0.00 C ATOM 0 H ALA A 31 -8.090 -4.494 -7.638 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.773 -3.886 -8.401 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.617 -2.275 -6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.995 -3.877 -6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.862 -2.556 -6.444 1.00 0.00 H new ATOM 468 N GLY A 32 -8.439 -2.080 -9.635 1.00 0.00 N ATOM 469 CA GLY A 32 -8.141 -1.002 -10.565 1.00 0.00 C ATOM 470 C GLY A 32 -7.141 -0.015 -9.997 1.00 0.00 C ATOM 471 O GLY A 32 -7.303 1.199 -10.144 1.00 0.00 O ATOM 0 H GLY A 32 -7.660 -2.715 -9.463 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.748 -1.422 -11.491 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.063 -0.478 -10.818 1.00 0.00 H new ATOM 475 N LEU A 33 -6.106 -0.534 -9.341 1.00 0.00 N ATOM 476 CA LEU A 33 -5.085 0.311 -8.729 1.00 0.00 C ATOM 477 C LEU A 33 -4.034 0.707 -9.763 1.00 0.00 C ATOM 478 O LEU A 33 -3.312 -0.146 -10.288 1.00 0.00 O ATOM 479 CB LEU A 33 -4.420 -0.414 -7.547 1.00 0.00 C ATOM 480 CG LEU A 33 -3.423 0.429 -6.730 1.00 0.00 C ATOM 481 CD1 LEU A 33 -4.123 1.620 -6.081 1.00 0.00 C ATOM 482 CD2 LEU A 33 -2.726 -0.431 -5.676 1.00 0.00 C ATOM 0 H LEU A 33 -5.953 -1.535 -9.220 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.566 1.214 -8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.201 -0.772 -6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.900 -1.293 -7.928 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.665 0.814 -7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.399 2.200 -5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.563 2.249 -6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.908 1.262 -5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.026 0.183 -5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.470 -0.851 -4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.184 -1.240 -6.166 1.00 0.00 H new ATOM 494 N SER A 34 -3.958 1.998 -10.052 1.00 0.00 N ATOM 495 CA SER A 34 -2.989 2.521 -11.002 1.00 0.00 C ATOM 496 C SER A 34 -1.742 2.992 -10.260 1.00 0.00 C ATOM 497 O SER A 34 -1.809 3.343 -9.076 1.00 0.00 O ATOM 498 CB SER A 34 -3.603 3.676 -11.805 1.00 0.00 C ATOM 499 OG SER A 34 -2.672 4.208 -12.733 1.00 0.00 O ATOM 0 H SER A 34 -4.562 2.708 -9.637 1.00 0.00 H new ATOM 0 HA SER A 34 -2.708 1.730 -11.697 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.488 3.324 -12.335 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.931 4.462 -11.124 1.00 0.00 H new ATOM 0 HG SER A 34 -3.152 4.699 -13.433 1.00 0.00 H new ATOM 505 N SER A 35 -0.609 3.000 -10.959 1.00 0.00 N ATOM 506 CA SER A 35 0.672 3.350 -10.353 1.00 0.00 C ATOM 507 C SER A 35 0.649 4.780 -9.808 1.00 0.00 C ATOM 508 O SER A 35 1.428 5.125 -8.921 1.00 0.00 O ATOM 509 CB SER A 35 1.811 3.180 -11.372 1.00 0.00 C ATOM 510 OG SER A 35 3.084 3.282 -10.747 1.00 0.00 O ATOM 0 H SER A 35 -0.553 2.767 -11.950 1.00 0.00 H new ATOM 0 HA SER A 35 0.848 2.673 -9.517 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.721 2.211 -11.862 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.723 3.940 -12.149 1.00 0.00 H new ATOM 0 HG SER A 35 3.782 3.329 -11.433 1.00 0.00 H new ATOM 516 N PHE A 36 -0.250 5.609 -10.334 1.00 0.00 N ATOM 517 CA PHE A 36 -0.397 6.980 -9.851 1.00 0.00 C ATOM 518 C PHE A 36 -0.964 6.974 -8.431 1.00 0.00 C ATOM 519 O PHE A 36 -0.467 7.671 -7.544 1.00 0.00 O ATOM 520 CB PHE A 36 -1.309 7.786 -10.785 1.00 0.00 C ATOM 521 CG PHE A 36 -0.806 7.865 -12.207 1.00 0.00 C ATOM 522 CD1 PHE A 36 0.102 8.844 -12.585 1.00 0.00 C ATOM 523 CD2 PHE A 36 -1.240 6.960 -13.165 1.00 0.00 C ATOM 524 CE1 PHE A 36 0.565 8.918 -13.885 1.00 0.00 C ATOM 525 CE2 PHE A 36 -0.780 7.029 -14.466 1.00 0.00 C ATOM 526 CZ PHE A 36 0.123 8.009 -14.827 1.00 0.00 C ATOM 0 H PHE A 36 -0.885 5.357 -11.091 1.00 0.00 H new ATOM 0 HA PHE A 36 0.585 7.453 -9.839 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.302 7.337 -10.785 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.416 8.796 -10.390 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.451 9.558 -11.854 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.947 6.191 -12.890 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.272 9.686 -14.164 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.127 6.317 -15.200 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.483 8.065 -15.844 1.00 0.00 H new ATOM 536 N ALA A 37 -1.995 6.157 -8.221 1.00 0.00 N ATOM 537 CA ALA A 37 -2.635 6.035 -6.914 1.00 0.00 C ATOM 538 C ALA A 37 -1.673 5.434 -5.890 1.00 0.00 C ATOM 539 O ALA A 37 -1.707 5.792 -4.709 1.00 0.00 O ATOM 540 CB ALA A 37 -3.903 5.192 -7.022 1.00 0.00 C ATOM 0 H ALA A 37 -2.406 5.567 -8.944 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.909 7.033 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.370 5.109 -6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.597 5.667 -7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.648 4.197 -7.388 1.00 0.00 H new ATOM 546 N SER A 38 -0.808 4.529 -6.346 1.00 0.00 N ATOM 547 CA SER A 38 0.147 3.876 -5.460 1.00 0.00 C ATOM 548 C SER A 38 1.241 4.853 -5.029 1.00 0.00 C ATOM 549 O SER A 38 1.606 4.905 -3.855 1.00 0.00 O ATOM 550 CB SER A 38 0.748 2.634 -6.131 1.00 0.00 C ATOM 551 OG SER A 38 1.349 2.957 -7.371 1.00 0.00 O ATOM 0 H SER A 38 -0.751 4.234 -7.321 1.00 0.00 H new ATOM 0 HA SER A 38 -0.383 3.550 -4.565 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.490 2.185 -5.471 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.032 1.889 -6.286 1.00 0.00 H new ATOM 0 HG SER A 38 1.160 3.893 -7.592 1.00 0.00 H new ATOM 557 N VAL A 39 1.756 5.641 -5.975 1.00 0.00 N ATOM 558 CA VAL A 39 2.753 6.664 -5.656 1.00 0.00 C ATOM 559 C VAL A 39 2.203 7.632 -4.609 1.00 0.00 C ATOM 560 O VAL A 39 2.899 8.015 -3.667 1.00 0.00 O ATOM 561 CB VAL A 39 3.191 7.459 -6.917 1.00 0.00 C ATOM 562 CG1 VAL A 39 4.096 8.636 -6.543 1.00 0.00 C ATOM 563 CG2 VAL A 39 3.900 6.543 -7.916 1.00 0.00 C ATOM 0 H VAL A 39 1.501 5.591 -6.961 1.00 0.00 H new ATOM 0 HA VAL A 39 3.628 6.150 -5.259 1.00 0.00 H new ATOM 0 HB VAL A 39 2.291 7.857 -7.386 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.386 9.173 -7.446 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.559 9.311 -5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.988 8.263 -6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.198 7.120 -8.791 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.784 6.110 -7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.224 5.745 -8.221 1.00 0.00 H new ATOM 573 N GLN A 40 0.935 7.995 -4.766 1.00 0.00 N ATOM 574 CA GLN A 40 0.278 8.919 -3.851 1.00 0.00 C ATOM 575 C GLN A 40 0.222 8.349 -2.430 1.00 0.00 C ATOM 576 O GLN A 40 0.391 9.081 -1.452 1.00 0.00 O ATOM 577 CB GLN A 40 -1.139 9.245 -4.348 1.00 0.00 C ATOM 578 CG GLN A 40 -1.882 10.262 -3.482 1.00 0.00 C ATOM 579 CD GLN A 40 -1.176 11.607 -3.398 1.00 0.00 C ATOM 580 OE1 GLN A 40 -1.263 12.301 -2.386 1.00 0.00 O ATOM 581 NE2 GLN A 40 -0.495 11.996 -4.465 1.00 0.00 N ATOM 0 H GLN A 40 0.339 7.661 -5.523 1.00 0.00 H new ATOM 0 HA GLN A 40 0.865 9.837 -3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.077 9.627 -5.367 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.720 8.324 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.884 10.409 -3.885 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.999 9.857 -2.477 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.445 11.393 -5.286 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.020 12.899 -4.466 1.00 0.00 H new ATOM 590 N LEU A 41 0.007 7.038 -2.320 1.00 0.00 N ATOM 591 CA LEU A 41 -0.112 6.395 -1.010 1.00 0.00 C ATOM 592 C LEU A 41 1.228 6.445 -0.273 1.00 0.00 C ATOM 593 O LEU A 41 1.270 6.438 0.956 1.00 0.00 O ATOM 594 CB LEU A 41 -0.633 4.940 -1.154 1.00 0.00 C ATOM 595 CG LEU A 41 0.423 3.814 -1.283 1.00 0.00 C ATOM 596 CD1 LEU A 41 0.887 3.326 0.092 1.00 0.00 C ATOM 597 CD2 LEU A 41 -0.124 2.644 -2.098 1.00 0.00 C ATOM 0 H LEU A 41 -0.088 6.405 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.843 6.943 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.257 4.719 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.278 4.899 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 41 1.283 4.232 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.628 2.536 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.331 4.156 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.033 2.938 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.636 1.867 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.008 2.240 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.391 2.990 -3.097 1.00 0.00 H new ATOM 609 N MET A 42 2.318 6.537 -1.034 1.00 0.00 N ATOM 610 CA MET A 42 3.662 6.540 -0.453 1.00 0.00 C ATOM 611 C MET A 42 3.903 7.860 0.258 1.00 0.00 C ATOM 612 O MET A 42 4.509 7.912 1.330 1.00 0.00 O ATOM 613 CB MET A 42 4.724 6.347 -1.546 1.00 0.00 C ATOM 614 CG MET A 42 4.440 5.183 -2.476 1.00 0.00 C ATOM 615 SD MET A 42 4.300 3.613 -1.606 1.00 0.00 S ATOM 616 CE MET A 42 3.740 2.550 -2.934 1.00 0.00 C ATOM 0 H MET A 42 2.298 6.610 -2.051 1.00 0.00 H new ATOM 0 HA MET A 42 3.737 5.717 0.258 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.796 7.261 -2.135 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.694 6.194 -1.074 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.515 5.376 -3.020 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.237 5.113 -3.217 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.908 1.508 -2.661 1.00 0.00 H new ATOM 0 HE2 MET A 42 2.676 2.713 -3.107 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.295 2.781 -3.843 1.00 0.00 H new ATOM 626 N LEU A 43 3.386 8.917 -0.354 1.00 0.00 N ATOM 627 CA LEU A 43 3.568 10.277 0.124 1.00 0.00 C ATOM 628 C LEU A 43 3.101 10.412 1.575 1.00 0.00 C ATOM 629 O LEU A 43 3.836 10.900 2.435 1.00 0.00 O ATOM 630 CB LEU A 43 2.779 11.234 -0.784 1.00 0.00 C ATOM 631 CG LEU A 43 3.167 12.714 -0.690 1.00 0.00 C ATOM 632 CD1 LEU A 43 4.627 12.907 -1.090 1.00 0.00 C ATOM 633 CD2 LEU A 43 2.247 13.559 -1.568 1.00 0.00 C ATOM 0 H LEU A 43 2.824 8.852 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 43 4.628 10.530 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.904 10.910 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.719 11.140 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 43 3.051 13.042 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.887 13.963 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.267 12.329 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.771 12.567 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.534 14.608 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.334 13.234 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.216 13.440 -1.235 1.00 0.00 H new ATOM 645 N GLY A 44 1.879 9.958 1.836 1.00 0.00 N ATOM 646 CA GLY A 44 1.312 10.050 3.171 1.00 0.00 C ATOM 647 C GLY A 44 1.840 8.980 4.111 1.00 0.00 C ATOM 648 O GLY A 44 1.955 9.204 5.317 1.00 0.00 O ATOM 0 H GLY A 44 1.268 9.526 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.532 11.033 3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.227 9.967 3.106 1.00 0.00 H new ATOM 652 N ILE A 45 2.156 7.808 3.563 1.00 0.00 N ATOM 653 CA ILE A 45 2.640 6.686 4.367 1.00 0.00 C ATOM 654 C ILE A 45 4.047 6.956 4.908 1.00 0.00 C ATOM 655 O ILE A 45 4.403 6.477 5.990 1.00 0.00 O ATOM 656 CB ILE A 45 2.581 5.343 3.568 1.00 0.00 C ATOM 657 CG1 ILE A 45 1.227 4.641 3.801 1.00 0.00 C ATOM 658 CG2 ILE A 45 3.743 4.407 3.915 1.00 0.00 C ATOM 659 CD1 ILE A 45 0.976 4.247 5.244 1.00 0.00 C ATOM 0 H ILE A 45 2.086 7.610 2.565 1.00 0.00 H new ATOM 0 HA ILE A 45 1.974 6.584 5.224 1.00 0.00 H new ATOM 0 HB ILE A 45 2.678 5.590 2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.425 5.302 3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.181 3.748 3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.657 3.489 3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.688 4.897 3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.713 4.168 4.978 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.004 3.760 5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.755 3.560 5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.988 5.138 5.872 1.00 0.00 H new ATOM 671 N GLU A 46 4.829 7.750 4.173 1.00 0.00 N ATOM 672 CA GLU A 46 6.174 8.124 4.610 1.00 0.00 C ATOM 673 C GLU A 46 6.129 8.744 6.003 1.00 0.00 C ATOM 674 O GLU A 46 6.801 8.290 6.931 1.00 0.00 O ATOM 675 CB GLU A 46 6.800 9.127 3.630 1.00 0.00 C ATOM 676 CG GLU A 46 8.218 9.547 4.004 1.00 0.00 C ATOM 677 CD GLU A 46 8.776 10.628 3.093 1.00 0.00 C ATOM 678 OE1 GLU A 46 8.559 11.826 3.380 1.00 0.00 O ATOM 679 OE2 GLU A 46 9.441 10.291 2.091 1.00 0.00 O ATOM 0 H GLU A 46 4.554 8.145 3.274 1.00 0.00 H new ATOM 0 HA GLU A 46 6.783 7.220 4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.812 8.688 2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.169 10.014 3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.225 9.907 5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.871 8.675 3.967 1.00 0.00 H new ATOM 686 N GLU A 47 5.318 9.782 6.136 1.00 0.00 N ATOM 687 CA GLU A 47 5.165 10.494 7.399 1.00 0.00 C ATOM 688 C GLU A 47 4.395 9.648 8.412 1.00 0.00 C ATOM 689 O GLU A 47 4.600 9.772 9.620 1.00 0.00 O ATOM 690 CB GLU A 47 4.460 11.838 7.165 1.00 0.00 C ATOM 691 CG GLU A 47 3.106 11.709 6.480 1.00 0.00 C ATOM 692 CD GLU A 47 2.481 13.052 6.155 1.00 0.00 C ATOM 693 OE1 GLU A 47 2.749 13.587 5.061 1.00 0.00 O ATOM 694 OE2 GLU A 47 1.731 13.584 6.993 1.00 0.00 O ATOM 0 H GLU A 47 4.749 10.155 5.376 1.00 0.00 H new ATOM 0 HA GLU A 47 6.156 10.687 7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.326 12.339 8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.104 12.475 6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.222 11.136 5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.431 11.145 7.124 1.00 0.00 H new ATOM 701 N ALA A 48 3.509 8.790 7.903 1.00 0.00 N ATOM 702 CA ALA A 48 2.597 8.011 8.740 1.00 0.00 C ATOM 703 C ALA A 48 3.316 7.277 9.876 1.00 0.00 C ATOM 704 O ALA A 48 2.889 7.364 11.031 1.00 0.00 O ATOM 705 CB ALA A 48 1.811 7.021 7.888 1.00 0.00 C ATOM 0 H ALA A 48 3.404 8.617 6.903 1.00 0.00 H new ATOM 0 HA ALA A 48 1.910 8.720 9.203 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.137 6.448 8.525 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.232 7.564 7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.502 6.342 7.388 1.00 0.00 H new ATOM 711 N PHE A 49 4.395 6.549 9.570 1.00 0.00 N ATOM 712 CA PHE A 49 5.098 5.795 10.615 1.00 0.00 C ATOM 713 C PHE A 49 6.611 6.058 10.651 1.00 0.00 C ATOM 714 O PHE A 49 7.198 6.069 11.737 1.00 0.00 O ATOM 715 CB PHE A 49 4.807 4.288 10.490 1.00 0.00 C ATOM 716 CG PHE A 49 5.221 3.660 9.179 1.00 0.00 C ATOM 717 CD1 PHE A 49 6.513 3.182 8.997 1.00 0.00 C ATOM 718 CD2 PHE A 49 4.312 3.525 8.137 1.00 0.00 C ATOM 719 CE1 PHE A 49 6.887 2.588 7.809 1.00 0.00 C ATOM 720 CE2 PHE A 49 4.685 2.933 6.946 1.00 0.00 C ATOM 721 CZ PHE A 49 5.973 2.464 6.783 1.00 0.00 C ATOM 0 H PHE A 49 4.793 6.466 8.634 1.00 0.00 H new ATOM 0 HA PHE A 49 4.706 6.158 11.565 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.316 3.767 11.301 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.738 4.128 10.630 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.234 3.277 9.796 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.302 3.887 8.260 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.895 2.220 7.682 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.969 2.837 6.143 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.265 2.000 5.853 1.00 0.00 H new ATOM 731 N ASP A 50 7.239 6.296 9.491 1.00 0.00 N ATOM 732 CA ASP A 50 8.699 6.495 9.442 1.00 0.00 C ATOM 733 C ASP A 50 9.175 6.783 8.015 1.00 0.00 C ATOM 734 O ASP A 50 9.709 7.861 7.737 1.00 0.00 O ATOM 735 CB ASP A 50 9.433 5.258 9.995 1.00 0.00 C ATOM 736 CG ASP A 50 10.905 5.521 10.302 1.00 0.00 C ATOM 737 OD1 ASP A 50 11.209 5.991 11.422 1.00 0.00 O ATOM 738 OD2 ASP A 50 11.765 5.250 9.441 1.00 0.00 O ATOM 0 H ASP A 50 6.771 6.355 8.587 1.00 0.00 H new ATOM 0 HA ASP A 50 8.933 7.359 10.064 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.933 4.923 10.904 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.359 4.446 9.272 1.00 0.00 H new ATOM 743 N ILE A 51 8.975 5.818 7.112 1.00 0.00 N ATOM 744 CA ILE A 51 9.392 5.956 5.708 1.00 0.00 C ATOM 745 C ILE A 51 8.348 5.354 4.773 1.00 0.00 C ATOM 746 O ILE A 51 7.349 4.789 5.224 1.00 0.00 O ATOM 747 CB ILE A 51 10.774 5.290 5.400 1.00 0.00 C ATOM 748 CG1 ILE A 51 10.715 3.744 5.490 1.00 0.00 C ATOM 749 CG2 ILE A 51 11.870 5.847 6.304 1.00 0.00 C ATOM 750 CD1 ILE A 51 10.347 3.189 6.854 1.00 0.00 C ATOM 0 H ILE A 51 8.525 4.928 7.327 1.00 0.00 H new ATOM 0 HA ILE A 51 9.491 7.028 5.538 1.00 0.00 H new ATOM 0 HB ILE A 51 11.021 5.542 4.369 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.991 3.381 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.686 3.342 5.202 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.818 5.365 6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.960 6.922 6.147 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.616 5.653 7.346 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.333 2.100 6.812 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.083 3.514 7.590 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.361 3.554 7.141 1.00 0.00 H new ATOM 762 N GLU A 52 8.590 5.484 3.471 1.00 0.00 N ATOM 763 CA GLU A 52 7.730 4.895 2.447 1.00 0.00 C ATOM 764 C GLU A 52 8.455 3.753 1.741 1.00 0.00 C ATOM 765 O GLU A 52 9.657 3.559 1.931 1.00 0.00 O ATOM 766 CB GLU A 52 7.253 5.962 1.441 1.00 0.00 C ATOM 767 CG GLU A 52 8.233 7.112 1.197 1.00 0.00 C ATOM 768 CD GLU A 52 9.551 6.681 0.579 1.00 0.00 C ATOM 769 OE1 GLU A 52 9.622 6.584 -0.664 1.00 0.00 O ATOM 770 OE2 GLU A 52 10.526 6.460 1.328 1.00 0.00 O ATOM 0 H GLU A 52 9.386 6.000 3.096 1.00 0.00 H new ATOM 0 HA GLU A 52 6.844 4.488 2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.046 5.474 0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.311 6.378 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.760 7.846 0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.434 7.611 2.145 1.00 0.00 H new ATOM 777 N PHE A 53 7.713 2.982 0.951 1.00 0.00 N ATOM 778 CA PHE A 53 8.275 1.828 0.256 1.00 0.00 C ATOM 779 C PHE A 53 9.414 2.252 -0.682 1.00 0.00 C ATOM 780 O PHE A 53 9.235 3.126 -1.536 1.00 0.00 O ATOM 781 CB PHE A 53 7.182 1.093 -0.528 1.00 0.00 C ATOM 782 CG PHE A 53 6.067 0.570 0.343 1.00 0.00 C ATOM 783 CD1 PHE A 53 6.344 -0.223 1.449 1.00 0.00 C ATOM 784 CD2 PHE A 53 4.744 0.879 0.064 1.00 0.00 C ATOM 785 CE1 PHE A 53 5.324 -0.697 2.252 1.00 0.00 C ATOM 786 CE2 PHE A 53 3.722 0.408 0.863 1.00 0.00 C ATOM 787 CZ PHE A 53 4.012 -0.381 1.957 1.00 0.00 C ATOM 0 H PHE A 53 6.720 3.136 0.776 1.00 0.00 H new ATOM 0 HA PHE A 53 8.687 1.149 1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.764 1.769 -1.274 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.631 0.260 -1.069 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.368 -0.472 1.684 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.510 1.497 -0.790 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.552 -1.314 3.109 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.697 0.657 0.632 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.213 -0.751 2.583 1.00 0.00 H new ATOM 797 N PRO A 54 10.605 1.638 -0.524 1.00 0.00 N ATOM 798 CA PRO A 54 11.793 1.982 -1.320 1.00 0.00 C ATOM 799 C PRO A 54 11.628 1.625 -2.801 1.00 0.00 C ATOM 800 O PRO A 54 10.933 0.663 -3.150 1.00 0.00 O ATOM 801 CB PRO A 54 12.910 1.153 -0.666 1.00 0.00 C ATOM 802 CG PRO A 54 12.203 0.006 -0.035 1.00 0.00 C ATOM 803 CD PRO A 54 10.891 0.563 0.445 1.00 0.00 C ATOM 0 HA PRO A 54 11.994 3.053 -1.320 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.636 0.814 -1.404 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.457 1.738 0.074 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.049 -0.802 -0.750 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.782 -0.406 0.792 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.108 -0.196 0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.965 0.947 1.462 1.00 0.00 H new ATOM 811 N ASP A 55 12.290 2.399 -3.662 1.00 0.00 N ATOM 812 CA ASP A 55 12.146 2.271 -5.116 1.00 0.00 C ATOM 813 C ASP A 55 12.502 0.868 -5.615 1.00 0.00 C ATOM 814 O ASP A 55 12.036 0.447 -6.680 1.00 0.00 O ATOM 815 CB ASP A 55 12.987 3.336 -5.847 1.00 0.00 C ATOM 816 CG ASP A 55 14.462 3.326 -5.458 1.00 0.00 C ATOM 817 OD1 ASP A 55 14.827 4.006 -4.471 1.00 0.00 O ATOM 818 OD2 ASP A 55 15.265 2.659 -6.141 1.00 0.00 O ATOM 0 H ASP A 55 12.940 3.131 -3.374 1.00 0.00 H new ATOM 0 HA ASP A 55 11.093 2.437 -5.346 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.903 3.178 -6.922 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.572 4.322 -5.637 1.00 0.00 H new ATOM 823 N ASN A 56 13.299 0.138 -4.837 1.00 0.00 N ATOM 824 CA ASN A 56 13.710 -1.222 -5.202 1.00 0.00 C ATOM 825 C ASN A 56 12.510 -2.161 -5.345 1.00 0.00 C ATOM 826 O ASN A 56 12.522 -3.062 -6.185 1.00 0.00 O ATOM 827 CB ASN A 56 14.688 -1.799 -4.165 1.00 0.00 C ATOM 828 CG ASN A 56 16.085 -1.210 -4.268 1.00 0.00 C ATOM 829 OD1 ASN A 56 16.539 -0.841 -5.352 1.00 0.00 O ATOM 830 ND2 ASN A 56 16.784 -1.137 -3.147 1.00 0.00 N ATOM 0 H ASN A 56 13.675 0.464 -3.947 1.00 0.00 H new ATOM 0 HA ASN A 56 14.209 -1.150 -6.168 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.296 -1.616 -3.164 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.746 -2.880 -4.292 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.734 -0.765 -3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 56 16.373 -1.453 -2.268 1.00 0.00 H new ATOM 837 N LEU A 57 11.472 -1.955 -4.534 1.00 0.00 N ATOM 838 CA LEU A 57 10.330 -2.874 -4.518 1.00 0.00 C ATOM 839 C LEU A 57 9.045 -2.209 -5.009 1.00 0.00 C ATOM 840 O LEU A 57 7.970 -2.810 -4.945 1.00 0.00 O ATOM 841 CB LEU A 57 10.144 -3.480 -3.110 1.00 0.00 C ATOM 842 CG LEU A 57 9.942 -2.485 -1.945 1.00 0.00 C ATOM 843 CD1 LEU A 57 8.520 -1.923 -1.922 1.00 0.00 C ATOM 844 CD2 LEU A 57 10.274 -3.148 -0.610 1.00 0.00 C ATOM 0 H LEU A 57 11.396 -1.171 -3.886 1.00 0.00 H new ATOM 0 HA LEU A 57 10.550 -3.681 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.284 -4.149 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.017 -4.093 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 57 10.625 -1.651 -2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.417 -1.228 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.320 -1.401 -2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.808 -2.740 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.126 -2.432 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.621 -4.007 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.313 -3.479 -0.616 1.00 0.00 H new ATOM 856 N LEU A 58 9.146 -0.979 -5.504 1.00 0.00 N ATOM 857 CA LEU A 58 7.979 -0.290 -6.052 1.00 0.00 C ATOM 858 C LEU A 58 7.551 -0.947 -7.365 1.00 0.00 C ATOM 859 O LEU A 58 8.395 -1.276 -8.204 1.00 0.00 O ATOM 860 CB LEU A 58 8.259 1.206 -6.270 1.00 0.00 C ATOM 861 CG LEU A 58 8.478 2.034 -4.991 1.00 0.00 C ATOM 862 CD1 LEU A 58 8.716 3.507 -5.328 1.00 0.00 C ATOM 863 CD2 LEU A 58 7.292 1.884 -4.041 1.00 0.00 C ATOM 0 H LEU A 58 10.013 -0.443 -5.538 1.00 0.00 H new ATOM 0 HA LEU A 58 7.168 -0.373 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.143 1.304 -6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.424 1.637 -6.822 1.00 0.00 H new ATOM 0 HG LEU A 58 9.368 1.653 -4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.868 4.071 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.600 3.598 -5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.850 3.904 -5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.467 2.477 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.384 2.232 -4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.176 0.836 -3.766 1.00 0.00 H new ATOM 875 N ASN A 59 6.239 -1.144 -7.517 1.00 0.00 N ATOM 876 CA ASN A 59 5.657 -1.781 -8.706 1.00 0.00 C ATOM 877 C ASN A 59 6.117 -3.236 -8.833 1.00 0.00 C ATOM 878 O ASN A 59 6.192 -3.785 -9.935 1.00 0.00 O ATOM 879 CB ASN A 59 6.007 -0.997 -9.986 1.00 0.00 C ATOM 880 CG ASN A 59 5.500 0.438 -9.961 1.00 0.00 C ATOM 881 OD1 ASN A 59 6.216 1.353 -9.556 1.00 0.00 O ATOM 882 ND2 ASN A 59 4.263 0.648 -10.383 1.00 0.00 N ATOM 0 H ASN A 59 5.548 -0.867 -6.820 1.00 0.00 H new ATOM 0 HA ASN A 59 4.574 -1.772 -8.584 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.089 -0.992 -10.118 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.583 -1.512 -10.848 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.876 1.592 -10.379 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.697 -0.134 -10.712 1.00 0.00 H new ATOM 889 N ARG A 60 6.411 -3.858 -7.691 1.00 0.00 N ATOM 890 CA ARG A 60 6.852 -5.253 -7.650 1.00 0.00 C ATOM 891 C ARG A 60 5.722 -6.133 -7.100 1.00 0.00 C ATOM 892 O ARG A 60 4.691 -5.616 -6.661 1.00 0.00 O ATOM 893 CB ARG A 60 8.108 -5.371 -6.768 1.00 0.00 C ATOM 894 CG ARG A 60 8.920 -6.644 -6.989 1.00 0.00 C ATOM 895 CD ARG A 60 10.116 -6.725 -6.045 1.00 0.00 C ATOM 896 NE ARG A 60 11.041 -7.795 -6.423 1.00 0.00 N ATOM 897 CZ ARG A 60 11.817 -8.463 -5.567 1.00 0.00 C ATOM 898 NH1 ARG A 60 11.712 -8.265 -4.259 1.00 0.00 N ATOM 899 NH2 ARG A 60 12.678 -9.356 -6.028 1.00 0.00 N ATOM 0 H ARG A 60 6.351 -3.414 -6.775 1.00 0.00 H new ATOM 0 HA ARG A 60 7.099 -5.590 -8.657 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.749 -4.509 -6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.807 -5.324 -5.721 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.280 -7.514 -6.840 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.269 -6.678 -8.021 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.644 -5.772 -6.046 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.764 -6.893 -5.027 1.00 0.00 H new ATOM 0 HE ARG A 60 11.096 -8.048 -7.410 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.032 -7.596 -3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.311 -8.782 -3.615 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.745 -9.529 -7.031 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.275 -9.871 -5.380 1.00 0.00 H new ATOM 913 N LYS A 61 5.920 -7.457 -7.110 1.00 0.00 N ATOM 914 CA LYS A 61 4.914 -8.398 -6.595 1.00 0.00 C ATOM 915 C LYS A 61 4.577 -8.124 -5.127 1.00 0.00 C ATOM 916 O LYS A 61 3.577 -8.624 -4.609 1.00 0.00 O ATOM 917 CB LYS A 61 5.390 -9.849 -6.745 1.00 0.00 C ATOM 918 CG LYS A 61 6.692 -10.163 -6.007 1.00 0.00 C ATOM 919 CD LYS A 61 6.930 -11.669 -5.896 1.00 0.00 C ATOM 920 CE LYS A 61 6.907 -12.360 -7.255 1.00 0.00 C ATOM 921 NZ LYS A 61 6.986 -13.839 -7.125 1.00 0.00 N ATOM 0 H LYS A 61 6.765 -7.902 -7.468 1.00 0.00 H new ATOM 0 HA LYS A 61 4.013 -8.250 -7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.609 -10.515 -6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.525 -10.067 -7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.528 -9.700 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.660 -9.725 -5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.892 -11.848 -5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.167 -12.109 -5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.993 -12.090 -7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.742 -12.003 -7.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.968 -14.272 -8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.870 -14.098 -6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.176 -14.183 -6.571 1.00 0.00 H new ATOM 935 N SER A 62 5.416 -7.334 -4.465 1.00 0.00 N ATOM 936 CA SER A 62 5.189 -6.935 -3.082 1.00 0.00 C ATOM 937 C SER A 62 3.799 -6.310 -2.919 1.00 0.00 C ATOM 938 O SER A 62 3.116 -6.530 -1.919 1.00 0.00 O ATOM 939 CB SER A 62 6.284 -5.949 -2.666 1.00 0.00 C ATOM 940 OG SER A 62 6.475 -4.966 -3.673 1.00 0.00 O ATOM 0 H SER A 62 6.270 -6.953 -4.872 1.00 0.00 H new ATOM 0 HA SER A 62 5.230 -7.813 -2.437 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.011 -5.468 -1.727 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.217 -6.485 -2.491 1.00 0.00 H new ATOM 0 HG SER A 62 7.056 -4.255 -3.330 1.00 0.00 H new ATOM 946 N PHE A 63 3.383 -5.548 -3.930 1.00 0.00 N ATOM 947 CA PHE A 63 2.074 -4.893 -3.935 1.00 0.00 C ATOM 948 C PHE A 63 0.945 -5.921 -4.033 1.00 0.00 C ATOM 949 O PHE A 63 -0.178 -5.673 -3.587 1.00 0.00 O ATOM 950 CB PHE A 63 1.981 -3.904 -5.107 1.00 0.00 C ATOM 951 CG PHE A 63 2.842 -2.673 -4.943 1.00 0.00 C ATOM 952 CD1 PHE A 63 4.203 -2.783 -4.690 1.00 0.00 C ATOM 953 CD2 PHE A 63 2.284 -1.405 -5.037 1.00 0.00 C ATOM 954 CE1 PHE A 63 4.985 -1.657 -4.536 1.00 0.00 C ATOM 955 CE2 PHE A 63 3.066 -0.277 -4.885 1.00 0.00 C ATOM 956 CZ PHE A 63 4.417 -0.403 -4.634 1.00 0.00 C ATOM 0 H PHE A 63 3.940 -5.367 -4.765 1.00 0.00 H new ATOM 0 HA PHE A 63 1.965 -4.351 -2.996 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.269 -4.416 -6.025 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.943 -3.595 -5.227 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.654 -3.761 -4.613 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.227 -1.300 -5.231 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.042 -1.757 -4.339 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.620 0.704 -4.963 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.029 0.479 -4.514 1.00 0.00 H new ATOM 966 N ALA A 64 1.253 -7.074 -4.616 1.00 0.00 N ATOM 967 CA ALA A 64 0.269 -8.138 -4.795 1.00 0.00 C ATOM 968 C ALA A 64 -0.019 -8.845 -3.474 1.00 0.00 C ATOM 969 O ALA A 64 -1.034 -9.527 -3.333 1.00 0.00 O ATOM 970 CB ALA A 64 0.750 -9.138 -5.843 1.00 0.00 C ATOM 0 H ALA A 64 2.181 -7.297 -4.975 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.659 -7.686 -5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.005 -9.924 -5.964 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.896 -8.626 -6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.693 -9.578 -5.520 1.00 0.00 H new ATOM 976 N SER A 65 0.881 -8.683 -2.510 1.00 0.00 N ATOM 977 CA SER A 65 0.743 -9.315 -1.204 1.00 0.00 C ATOM 978 C SER A 65 1.072 -8.322 -0.088 1.00 0.00 C ATOM 979 O SER A 65 2.223 -8.207 0.334 1.00 0.00 O ATOM 980 CB SER A 65 1.660 -10.542 -1.111 1.00 0.00 C ATOM 981 OG SER A 65 1.351 -11.494 -2.114 1.00 0.00 O ATOM 0 H SER A 65 1.721 -8.114 -2.611 1.00 0.00 H new ATOM 0 HA SER A 65 -0.291 -9.638 -1.083 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.700 -10.230 -1.211 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.558 -11.001 -0.128 1.00 0.00 H new ATOM 0 HG SER A 65 1.952 -12.264 -2.031 1.00 0.00 H new ATOM 987 N ILE A 66 0.053 -7.599 0.379 1.00 0.00 N ATOM 988 CA ILE A 66 0.233 -6.607 1.441 1.00 0.00 C ATOM 989 C ILE A 66 0.845 -7.245 2.689 1.00 0.00 C ATOM 990 O ILE A 66 1.738 -6.673 3.317 1.00 0.00 O ATOM 991 CB ILE A 66 -1.106 -5.919 1.808 1.00 0.00 C ATOM 992 CG1 ILE A 66 -1.669 -5.160 0.592 1.00 0.00 C ATOM 993 CG2 ILE A 66 -0.931 -4.976 3.002 1.00 0.00 C ATOM 994 CD1 ILE A 66 -0.768 -4.047 0.086 1.00 0.00 C ATOM 0 H ILE A 66 -0.905 -7.681 0.039 1.00 0.00 H new ATOM 0 HA ILE A 66 0.917 -5.849 1.059 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.819 -6.692 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.842 -5.869 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.638 -4.737 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.886 -4.507 3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.582 -5.543 3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.200 -4.206 2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.235 -3.562 -0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.614 -3.315 0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.193 -4.465 -0.213 1.00 0.00 H new ATOM 1006 N LYS A 67 0.368 -8.438 3.029 1.00 0.00 N ATOM 1007 CA LYS A 67 0.888 -9.180 4.178 1.00 0.00 C ATOM 1008 C LYS A 67 2.387 -9.465 4.023 1.00 0.00 C ATOM 1009 O LYS A 67 3.112 -9.572 5.009 1.00 0.00 O ATOM 1010 CB LYS A 67 0.120 -10.501 4.379 1.00 0.00 C ATOM 1011 CG LYS A 67 0.203 -11.479 3.200 1.00 0.00 C ATOM 1012 CD LYS A 67 -0.953 -11.315 2.212 1.00 0.00 C ATOM 1013 CE LYS A 67 -0.834 -12.286 1.041 1.00 0.00 C ATOM 1014 NZ LYS A 67 -2.090 -12.362 0.249 1.00 0.00 N ATOM 0 H LYS A 67 -0.380 -8.915 2.525 1.00 0.00 H new ATOM 0 HA LYS A 67 0.744 -8.555 5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.504 -10.996 5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.928 -10.270 4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.147 -11.330 2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.208 -12.500 3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.899 -11.480 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.969 -10.292 1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.015 -11.973 0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.582 -13.278 1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.867 -12.630 -0.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.722 -13.074 0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.561 -11.435 0.255 1.00 0.00 H new ATOM 1028 N ALA A 68 2.843 -9.585 2.779 1.00 0.00 N ATOM 1029 CA ALA A 68 4.250 -9.853 2.499 1.00 0.00 C ATOM 1030 C ALA A 68 5.072 -8.567 2.544 1.00 0.00 C ATOM 1031 O ALA A 68 6.180 -8.546 3.090 1.00 0.00 O ATOM 1032 CB ALA A 68 4.403 -10.533 1.143 1.00 0.00 C ATOM 0 H ALA A 68 2.257 -9.501 1.948 1.00 0.00 H new ATOM 0 HA ALA A 68 4.626 -10.524 3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.458 -10.726 0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.856 -11.476 1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.004 -9.884 0.363 1.00 0.00 H new ATOM 1038 N ILE A 69 4.526 -7.494 1.971 1.00 0.00 N ATOM 1039 CA ILE A 69 5.250 -6.229 1.874 1.00 0.00 C ATOM 1040 C ILE A 69 5.382 -5.569 3.247 1.00 0.00 C ATOM 1041 O ILE A 69 6.380 -4.895 3.520 1.00 0.00 O ATOM 1042 CB ILE A 69 4.584 -5.247 0.867 1.00 0.00 C ATOM 1043 CG1 ILE A 69 5.532 -4.077 0.540 1.00 0.00 C ATOM 1044 CG2 ILE A 69 3.255 -4.721 1.405 1.00 0.00 C ATOM 1045 CD1 ILE A 69 4.989 -3.123 -0.510 1.00 0.00 C ATOM 0 H ILE A 69 3.589 -7.476 1.569 1.00 0.00 H new ATOM 0 HA ILE A 69 6.246 -6.463 1.497 1.00 0.00 H new ATOM 0 HB ILE A 69 4.382 -5.798 -0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.734 -3.519 1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.484 -4.479 0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.814 -4.038 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.576 -5.556 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.426 -4.193 2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.712 -2.326 -0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.813 -3.666 -1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.052 -2.691 -0.159 1.00 0.00 H new ATOM 1057 N GLU A 70 4.385 -5.773 4.115 1.00 0.00 N ATOM 1058 CA GLU A 70 4.430 -5.215 5.465 1.00 0.00 C ATOM 1059 C GLU A 70 5.614 -5.811 6.220 1.00 0.00 C ATOM 1060 O GLU A 70 6.297 -5.121 6.978 1.00 0.00 O ATOM 1061 CB GLU A 70 3.095 -5.443 6.215 1.00 0.00 C ATOM 1062 CG GLU A 70 2.817 -6.883 6.666 1.00 0.00 C ATOM 1063 CD GLU A 70 3.383 -7.207 8.048 1.00 0.00 C ATOM 1064 OE1 GLU A 70 2.977 -6.546 9.029 1.00 0.00 O ATOM 1065 OE2 GLU A 70 4.242 -8.110 8.161 1.00 0.00 O ATOM 0 H GLU A 70 3.546 -6.315 3.907 1.00 0.00 H new ATOM 0 HA GLU A 70 4.567 -4.136 5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.080 -4.798 7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.278 -5.121 5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.740 -7.052 6.674 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.242 -7.573 5.937 1.00 0.00 H new ATOM 1072 N ASP A 71 5.876 -7.089 5.968 1.00 0.00 N ATOM 1073 CA ASP A 71 7.021 -7.776 6.551 1.00 0.00 C ATOM 1074 C ASP A 71 8.320 -7.133 6.077 1.00 0.00 C ATOM 1075 O ASP A 71 9.216 -6.846 6.876 1.00 0.00 O ATOM 1076 CB ASP A 71 6.992 -9.262 6.168 1.00 0.00 C ATOM 1077 CG ASP A 71 8.185 -10.031 6.711 1.00 0.00 C ATOM 1078 OD1 ASP A 71 8.121 -10.502 7.867 1.00 0.00 O ATOM 1079 OD2 ASP A 71 9.189 -10.177 5.988 1.00 0.00 O ATOM 0 H ASP A 71 5.305 -7.674 5.358 1.00 0.00 H new ATOM 0 HA ASP A 71 6.968 -7.691 7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.073 -9.712 6.544 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.970 -9.353 5.082 1.00 0.00 H new ATOM 1084 N THR A 72 8.397 -6.891 4.772 1.00 0.00 N ATOM 1085 CA THR A 72 9.582 -6.305 4.161 1.00 0.00 C ATOM 1086 C THR A 72 9.851 -4.899 4.709 1.00 0.00 C ATOM 1087 O THR A 72 10.990 -4.564 5.044 1.00 0.00 O ATOM 1088 CB THR A 72 9.438 -6.250 2.624 1.00 0.00 C ATOM 1089 OG1 THR A 72 9.107 -7.555 2.123 1.00 0.00 O ATOM 1090 CG2 THR A 72 10.723 -5.762 1.963 1.00 0.00 C ATOM 0 H THR A 72 7.645 -7.094 4.114 1.00 0.00 H new ATOM 0 HA THR A 72 10.429 -6.943 4.413 1.00 0.00 H new ATOM 0 HB THR A 72 8.642 -5.545 2.384 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.163 -7.746 2.305 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.588 -5.735 0.882 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.961 -4.761 2.324 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.540 -6.440 2.210 1.00 0.00 H new ATOM 1098 N VAL A 73 8.802 -4.084 4.824 1.00 0.00 N ATOM 1099 CA VAL A 73 8.962 -2.721 5.322 1.00 0.00 C ATOM 1100 C VAL A 73 9.310 -2.733 6.814 1.00 0.00 C ATOM 1101 O VAL A 73 10.040 -1.869 7.294 1.00 0.00 O ATOM 1102 CB VAL A 73 7.710 -1.839 5.054 1.00 0.00 C ATOM 1103 CG1 VAL A 73 6.485 -2.366 5.790 1.00 0.00 C ATOM 1104 CG2 VAL A 73 7.979 -0.381 5.423 1.00 0.00 C ATOM 0 H VAL A 73 7.845 -4.341 4.582 1.00 0.00 H new ATOM 0 HA VAL A 73 9.787 -2.272 4.770 1.00 0.00 H new ATOM 0 HB VAL A 73 7.499 -1.888 3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.630 -1.724 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.269 -3.381 5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.679 -2.371 6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.088 0.215 5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.234 -0.314 6.481 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.808 -0.002 4.826 1.00 0.00 H new ATOM 1114 N LYS A 74 8.812 -3.736 7.538 1.00 0.00 N ATOM 1115 CA LYS A 74 9.172 -3.922 8.946 1.00 0.00 C ATOM 1116 C LYS A 74 10.663 -4.232 9.078 1.00 0.00 C ATOM 1117 O LYS A 74 11.310 -3.819 10.044 1.00 0.00 O ATOM 1118 CB LYS A 74 8.321 -5.036 9.578 1.00 0.00 C ATOM 1119 CG LYS A 74 6.933 -4.566 10.018 1.00 0.00 C ATOM 1120 CD LYS A 74 5.900 -5.689 10.011 1.00 0.00 C ATOM 1121 CE LYS A 74 6.325 -6.893 10.838 1.00 0.00 C ATOM 1122 NZ LYS A 74 5.304 -7.973 10.791 1.00 0.00 N ATOM 0 H LYS A 74 8.160 -4.431 7.175 1.00 0.00 H new ATOM 0 HA LYS A 74 8.968 -2.996 9.483 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.210 -5.849 8.861 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.849 -5.441 10.441 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.998 -4.144 11.021 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.598 -3.766 9.357 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.954 -5.307 10.395 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.723 -6.006 8.983 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.276 -7.274 10.466 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.486 -6.587 11.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.720 -8.859 11.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.494 -7.711 11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.983 -8.105 9.811 1.00 0.00 H new ATOM 1136 N LEU A 75 11.207 -4.945 8.092 1.00 0.00 N ATOM 1137 CA LEU A 75 12.642 -5.223 8.047 1.00 0.00 C ATOM 1138 C LEU A 75 13.418 -3.928 7.813 1.00 0.00 C ATOM 1139 O LEU A 75 14.533 -3.759 8.314 1.00 0.00 O ATOM 1140 CB LEU A 75 12.968 -6.244 6.945 1.00 0.00 C ATOM 1141 CG LEU A 75 12.343 -7.638 7.133 1.00 0.00 C ATOM 1142 CD1 LEU A 75 12.686 -8.545 5.955 1.00 0.00 C ATOM 1143 CD2 LEU A 75 12.801 -8.266 8.451 1.00 0.00 C ATOM 0 H LEU A 75 10.677 -5.340 7.315 1.00 0.00 H new ATOM 0 HA LEU A 75 12.940 -5.649 9.005 1.00 0.00 H new ATOM 0 HB2 LEU A 75 12.635 -5.841 5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.051 -6.355 6.884 1.00 0.00 H new ATOM 0 HG LEU A 75 11.260 -7.522 7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.235 -9.525 6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.300 -8.107 5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 75 13.768 -8.651 5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.347 -9.251 8.562 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.886 -8.365 8.449 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.497 -7.630 9.282 1.00 0.00 H new ATOM 1155 N ILE A 76 12.819 -3.013 7.050 1.00 0.00 N ATOM 1156 CA ILE A 76 13.408 -1.694 6.829 1.00 0.00 C ATOM 1157 C ILE A 76 13.557 -0.965 8.161 1.00 0.00 C ATOM 1158 O ILE A 76 14.618 -0.433 8.467 1.00 0.00 O ATOM 1159 CB ILE A 76 12.554 -0.822 5.870 1.00 0.00 C ATOM 1160 CG1 ILE A 76 12.379 -1.512 4.506 1.00 0.00 C ATOM 1161 CG2 ILE A 76 13.183 0.563 5.695 1.00 0.00 C ATOM 1162 CD1 ILE A 76 11.483 -0.748 3.555 1.00 0.00 C ATOM 0 H ILE A 76 11.928 -3.162 6.576 1.00 0.00 H new ATOM 0 HA ILE A 76 14.382 -1.850 6.366 1.00 0.00 H new ATOM 0 HB ILE A 76 11.567 -0.699 6.316 1.00 0.00 H new ATOM 0 HG12 ILE A 76 13.358 -1.642 4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.965 -2.508 4.662 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.569 1.159 5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.244 1.060 6.663 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.184 0.458 5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.404 -1.292 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.492 -0.640 3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.907 0.239 3.370 1.00 0.00 H new ATOM 1174 N LEU A 77 12.490 -0.974 8.960 1.00 0.00 N ATOM 1175 CA LEU A 77 12.489 -0.309 10.266 1.00 0.00 C ATOM 1176 C LEU A 77 13.630 -0.815 11.150 1.00 0.00 C ATOM 1177 O LEU A 77 14.142 -0.081 11.994 1.00 0.00 O ATOM 1178 CB LEU A 77 11.138 -0.504 10.984 1.00 0.00 C ATOM 1179 CG LEU A 77 10.034 0.510 10.624 1.00 0.00 C ATOM 1180 CD1 LEU A 77 10.439 1.919 11.047 1.00 0.00 C ATOM 1181 CD2 LEU A 77 9.716 0.469 9.133 1.00 0.00 C ATOM 0 H LEU A 77 11.611 -1.436 8.726 1.00 0.00 H new ATOM 0 HA LEU A 77 12.640 0.756 10.088 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.771 -1.506 10.762 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.310 -0.459 12.059 1.00 0.00 H new ATOM 0 HG LEU A 77 9.132 0.231 11.169 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.647 2.620 10.784 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.602 1.943 12.125 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.359 2.202 10.535 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.934 1.194 8.908 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.612 0.713 8.563 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.374 -0.530 8.861 1.00 0.00 H new ATOM 1193 N ASP A 78 14.028 -2.068 10.952 1.00 0.00 N ATOM 1194 CA ASP A 78 15.122 -2.655 11.725 1.00 0.00 C ATOM 1195 C ASP A 78 16.461 -2.028 11.347 1.00 0.00 C ATOM 1196 O ASP A 78 17.355 -1.891 12.187 1.00 0.00 O ATOM 1197 CB ASP A 78 15.178 -4.174 11.516 1.00 0.00 C ATOM 1198 CG ASP A 78 16.383 -4.813 12.195 1.00 0.00 C ATOM 1199 OD1 ASP A 78 16.304 -5.118 13.402 1.00 0.00 O ATOM 1200 OD2 ASP A 78 17.422 -5.003 11.524 1.00 0.00 O ATOM 0 H ASP A 78 13.612 -2.697 10.265 1.00 0.00 H new ATOM 0 HA ASP A 78 14.931 -2.450 12.778 1.00 0.00 H new ATOM 0 HB2 ASP A 78 14.265 -4.625 11.905 1.00 0.00 H new ATOM 0 HB3 ASP A 78 15.210 -4.389 10.448 1.00 0.00 H new ATOM 1205 N GLY A 79 16.586 -1.641 10.087 1.00 0.00 N ATOM 1206 CA GLY A 79 17.819 -1.057 9.599 1.00 0.00 C ATOM 1207 C GLY A 79 17.575 -0.172 8.400 1.00 0.00 C ATOM 1208 O GLY A 79 17.949 -0.518 7.277 1.00 0.00 O ATOM 0 H GLY A 79 15.848 -1.722 9.387 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.287 -0.475 10.393 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.518 -1.850 9.331 1.00 0.00 H new