USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 TYR OH : rot 180:sc= -0.605 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -5.57! C(o=-5.6!,f=-17!) USER MOD Single : A 17 SER OG : rot 39:sc= -0.748! USER MOD Single : A 18 LYS NZ :NH3+ -159:sc= -5.91! (180deg=-7.35!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.16 K(o=-0.16,f=-1) USER MOD Single : A 40 GLN : amide:sc= -0.97 K(o=-0.97,f=-2.8!) USER MOD Single : A 44 HIS : no HD1:sc= -0.999 K(o=-1,f=-4!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.148 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc=-0.000291 (180deg=-0.000291) USER MOD Single : A 54 GLN : amide:sc= -3.05! C(o=-3!,f=-3!) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.166 USER MOD Single : A 60 GLN : amide:sc= 0.0024 X(o=0.0024,f=-0.11) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -3.98! X(o=-4!,f=-4.4) USER MOD Single : A 73 THR OG1 : rot 66:sc= -6.23! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 8 13.232 -3.083 17.405 1.00 0.00 N ATOM 2 CA TYR A 8 12.182 -3.661 16.524 1.00 0.00 C ATOM 3 C TYR A 8 12.619 -3.535 15.061 1.00 0.00 C ATOM 4 O TYR A 8 12.415 -2.518 14.428 1.00 0.00 O ATOM 5 CB TYR A 8 10.873 -2.898 16.738 1.00 0.00 C ATOM 6 CG TYR A 8 9.896 -3.236 15.636 1.00 0.00 C ATOM 7 CD1 TYR A 8 9.051 -4.344 15.763 1.00 0.00 C ATOM 8 CD2 TYR A 8 9.837 -2.437 14.488 1.00 0.00 C ATOM 9 CE1 TYR A 8 8.146 -4.653 14.741 1.00 0.00 C ATOM 10 CE2 TYR A 8 8.932 -2.746 13.466 1.00 0.00 C ATOM 11 CZ TYR A 8 8.086 -3.854 13.592 1.00 0.00 C ATOM 12 OH TYR A 8 7.194 -4.159 12.586 1.00 0.00 O ATOM 0 HA TYR A 8 12.035 -4.714 16.766 1.00 0.00 H new ATOM 0 HB2 TYR A 8 10.446 -3.156 17.707 1.00 0.00 H new ATOM 0 HB3 TYR A 8 11.065 -1.825 16.750 1.00 0.00 H new ATOM 0 HD1 TYR A 8 9.097 -4.960 16.649 1.00 0.00 H new ATOM 0 HD2 TYR A 8 10.490 -1.582 14.391 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.493 -5.508 14.838 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.886 -2.130 12.580 1.00 0.00 H new ATOM 0 HH TYR A 8 7.281 -3.504 11.862 1.00 0.00 H new ATOM 22 N VAL A 9 13.218 -4.562 14.520 1.00 0.00 N ATOM 23 CA VAL A 9 13.664 -4.499 13.100 1.00 0.00 C ATOM 24 C VAL A 9 12.876 -5.517 12.270 1.00 0.00 C ATOM 25 O VAL A 9 13.417 -6.182 11.410 1.00 0.00 O ATOM 26 CB VAL A 9 15.160 -4.815 13.016 1.00 0.00 C ATOM 27 CG1 VAL A 9 15.966 -3.635 13.565 1.00 0.00 C ATOM 28 CG2 VAL A 9 15.466 -6.067 13.842 1.00 0.00 C ATOM 0 H VAL A 9 13.417 -5.440 15.000 1.00 0.00 H new ATOM 0 HA VAL A 9 13.485 -3.497 12.709 1.00 0.00 H new ATOM 0 HB VAL A 9 15.434 -4.989 11.975 1.00 0.00 H new ATOM 0 HG11 VAL A 9 17.030 -3.862 13.504 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.751 -2.743 12.977 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.691 -3.459 14.605 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.531 -6.291 13.782 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.190 -5.893 14.882 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.895 -6.909 13.451 1.00 0.00 H new ATOM 38 N ALA A 10 11.601 -5.639 12.520 1.00 0.00 N ATOM 39 CA ALA A 10 10.775 -6.608 11.743 1.00 0.00 C ATOM 40 C ALA A 10 9.391 -6.743 12.391 1.00 0.00 C ATOM 41 O ALA A 10 9.264 -6.665 13.595 1.00 0.00 O ATOM 42 CB ALA A 10 11.466 -7.971 11.723 1.00 0.00 C ATOM 0 H ALA A 10 11.095 -5.109 13.229 1.00 0.00 H new ATOM 0 HA ALA A 10 10.661 -6.245 10.721 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.861 -8.677 11.155 1.00 0.00 H new ATOM 0 HB2 ALA A 10 12.446 -7.875 11.256 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.584 -8.334 12.744 1.00 0.00 H new ATOM 48 N PRO A 11 8.394 -6.941 11.563 1.00 0.00 N ATOM 49 CA PRO A 11 7.000 -7.086 12.016 1.00 0.00 C ATOM 50 C PRO A 11 6.745 -8.514 12.518 1.00 0.00 C ATOM 51 O PRO A 11 7.665 -9.243 12.832 1.00 0.00 O ATOM 52 CB PRO A 11 6.185 -6.789 10.755 1.00 0.00 C ATOM 53 CG PRO A 11 7.124 -7.054 9.551 1.00 0.00 C ATOM 54 CD PRO A 11 8.564 -7.034 10.100 1.00 0.00 C ATOM 0 HA PRO A 11 6.744 -6.428 12.846 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.302 -7.426 10.705 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.835 -5.757 10.754 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.899 -8.015 9.089 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.992 -6.292 8.782 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.110 -7.935 9.819 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.127 -6.186 9.710 1.00 0.00 H new ATOM 62 N THR A 12 5.503 -8.918 12.603 1.00 0.00 N ATOM 63 CA THR A 12 5.201 -10.295 13.094 1.00 0.00 C ATOM 64 C THR A 12 4.312 -11.030 12.086 1.00 0.00 C ATOM 65 O THR A 12 4.650 -12.099 11.618 1.00 0.00 O ATOM 66 CB THR A 12 4.477 -10.208 14.439 1.00 0.00 C ATOM 67 OG1 THR A 12 4.630 -8.901 14.972 1.00 0.00 O ATOM 68 CG2 THR A 12 5.073 -11.230 15.408 1.00 0.00 C ATOM 0 H THR A 12 4.689 -8.356 12.355 1.00 0.00 H new ATOM 0 HA THR A 12 6.136 -10.843 13.212 1.00 0.00 H new ATOM 0 HB THR A 12 3.418 -10.421 14.297 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.165 -8.842 15.833 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.557 -11.167 16.366 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.955 -12.233 14.997 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.133 -11.019 15.553 1.00 0.00 H new ATOM 76 N ASN A 13 3.181 -10.471 11.744 1.00 0.00 N ATOM 77 CA ASN A 13 2.289 -11.143 10.765 1.00 0.00 C ATOM 78 C ASN A 13 2.125 -10.221 9.566 1.00 0.00 C ATOM 79 O ASN A 13 2.526 -9.075 9.603 1.00 0.00 O ATOM 80 CB ASN A 13 0.921 -11.403 11.403 1.00 0.00 C ATOM 81 CG ASN A 13 0.072 -12.255 10.457 1.00 0.00 C ATOM 82 OD1 ASN A 13 -0.491 -11.749 9.506 1.00 0.00 O ATOM 83 ND2 ASN A 13 -0.042 -13.535 10.678 1.00 0.00 N ATOM 0 H ASN A 13 2.840 -9.579 12.102 1.00 0.00 H new ATOM 0 HA ASN A 13 2.718 -12.096 10.457 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.044 -11.914 12.358 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.418 -10.458 11.609 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.604 -14.112 10.053 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.431 -13.959 11.476 1.00 0.00 H new ATOM 90 N ALA A 14 1.548 -10.689 8.501 1.00 0.00 N ATOM 91 CA ALA A 14 1.393 -9.791 7.334 1.00 0.00 C ATOM 92 C ALA A 14 0.303 -8.766 7.627 1.00 0.00 C ATOM 93 O ALA A 14 0.394 -7.620 7.231 1.00 0.00 O ATOM 94 CB ALA A 14 1.035 -10.578 6.090 1.00 0.00 C ATOM 0 H ALA A 14 1.184 -11.635 8.389 1.00 0.00 H new ATOM 0 HA ALA A 14 2.341 -9.283 7.156 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.927 -9.896 5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.825 -11.298 5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.096 -11.107 6.252 1.00 0.00 H new ATOM 100 N VAL A 15 -0.724 -9.153 8.332 1.00 0.00 N ATOM 101 CA VAL A 15 -1.790 -8.167 8.651 1.00 0.00 C ATOM 102 C VAL A 15 -1.109 -6.934 9.230 1.00 0.00 C ATOM 103 O VAL A 15 -1.223 -5.835 8.710 1.00 0.00 O ATOM 104 CB VAL A 15 -2.777 -8.753 9.656 1.00 0.00 C ATOM 105 CG1 VAL A 15 -3.800 -9.601 8.897 1.00 0.00 C ATOM 106 CG2 VAL A 15 -2.036 -9.624 10.675 1.00 0.00 C ATOM 0 H VAL A 15 -0.869 -10.095 8.696 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.353 -7.908 7.754 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.281 -7.947 10.190 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.514 -10.028 9.602 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.330 -8.976 8.178 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.287 -10.405 8.369 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.750 -10.037 11.388 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.528 -10.437 10.157 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.302 -9.018 11.206 1.00 0.00 H new ATOM 116 N GLU A 16 -0.354 -7.118 10.279 1.00 0.00 N ATOM 117 CA GLU A 16 0.377 -5.974 10.861 1.00 0.00 C ATOM 118 C GLU A 16 1.457 -5.570 9.858 1.00 0.00 C ATOM 119 O GLU A 16 1.860 -4.427 9.801 1.00 0.00 O ATOM 120 CB GLU A 16 1.007 -6.375 12.199 1.00 0.00 C ATOM 121 CG GLU A 16 2.071 -5.348 12.588 1.00 0.00 C ATOM 122 CD GLU A 16 3.446 -5.839 12.131 1.00 0.00 C ATOM 123 OE1 GLU A 16 3.813 -5.544 11.006 1.00 0.00 O ATOM 124 OE2 GLU A 16 4.109 -6.500 12.913 1.00 0.00 O ATOM 0 H GLU A 16 -0.217 -8.011 10.752 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.297 -5.139 11.053 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.241 -6.431 12.972 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.454 -7.366 12.120 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.846 -4.385 12.130 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.068 -5.196 13.667 1.00 0.00 H new ATOM 131 N SER A 17 1.917 -6.493 9.041 1.00 0.00 N ATOM 132 CA SER A 17 2.944 -6.114 8.031 1.00 0.00 C ATOM 133 C SER A 17 2.368 -4.989 7.187 1.00 0.00 C ATOM 134 O SER A 17 2.968 -3.946 7.010 1.00 0.00 O ATOM 135 CB SER A 17 3.295 -7.275 7.116 1.00 0.00 C ATOM 136 OG SER A 17 3.938 -8.290 7.876 1.00 0.00 O ATOM 0 H SER A 17 1.629 -7.471 9.033 1.00 0.00 H new ATOM 0 HA SER A 17 3.853 -5.812 8.551 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.394 -7.670 6.648 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.949 -6.936 6.313 1.00 0.00 H new ATOM 0 HG SER A 17 3.508 -8.363 8.754 1.00 0.00 H new ATOM 142 N LYS A 18 1.183 -5.193 6.677 1.00 0.00 N ATOM 143 CA LYS A 18 0.542 -4.136 5.857 1.00 0.00 C ATOM 144 C LYS A 18 0.355 -2.907 6.727 1.00 0.00 C ATOM 145 O LYS A 18 0.968 -1.880 6.509 1.00 0.00 O ATOM 146 CB LYS A 18 -0.821 -4.612 5.376 1.00 0.00 C ATOM 147 CG LYS A 18 -1.435 -3.534 4.491 1.00 0.00 C ATOM 148 CD LYS A 18 -1.677 -4.120 3.108 1.00 0.00 C ATOM 149 CE LYS A 18 -1.655 -3.008 2.053 1.00 0.00 C ATOM 150 NZ LYS A 18 -2.060 -1.714 2.673 1.00 0.00 N ATOM 0 H LYS A 18 0.636 -6.046 6.795 1.00 0.00 H new ATOM 0 HA LYS A 18 1.167 -3.907 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.720 -5.544 4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.471 -4.817 6.227 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.372 -3.180 4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.769 -2.674 4.426 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.912 -4.863 2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.638 -4.634 3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.656 -2.920 1.625 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.331 -3.257 1.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.386 -1.061 1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.830 -1.880 3.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.246 -1.297 3.168 1.00 0.00 H new ATOM 164 N LEU A 19 -0.483 -3.014 7.720 1.00 0.00 N ATOM 165 CA LEU A 19 -0.707 -1.854 8.633 1.00 0.00 C ATOM 166 C LEU A 19 0.640 -1.188 8.918 1.00 0.00 C ATOM 167 O LEU A 19 0.778 0.007 8.815 1.00 0.00 O ATOM 168 CB LEU A 19 -1.331 -2.344 9.941 1.00 0.00 C ATOM 169 CG LEU A 19 -2.854 -2.388 9.796 1.00 0.00 C ATOM 170 CD1 LEU A 19 -3.401 -0.963 9.712 1.00 0.00 C ATOM 171 CD2 LEU A 19 -3.220 -3.149 8.520 1.00 0.00 C ATOM 0 H LEU A 19 -1.022 -3.851 7.940 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.382 -1.136 8.167 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.950 -3.335 10.189 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.052 -1.681 10.760 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.287 -2.892 10.660 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.486 -0.995 9.609 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.139 -0.419 10.619 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.969 -0.458 8.848 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.304 -3.182 8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.786 -2.643 7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.830 -4.165 8.578 1.00 0.00 H new ATOM 183 N ALA A 20 1.645 -1.952 9.250 1.00 0.00 N ATOM 184 CA ALA A 20 2.979 -1.343 9.508 1.00 0.00 C ATOM 185 C ALA A 20 3.347 -0.455 8.315 1.00 0.00 C ATOM 186 O ALA A 20 3.739 0.684 8.473 1.00 0.00 O ATOM 187 CB ALA A 20 4.029 -2.449 9.670 1.00 0.00 C ATOM 0 H ALA A 20 1.600 -2.966 9.353 1.00 0.00 H new ATOM 0 HA ALA A 20 2.948 -0.749 10.421 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.004 -2.000 9.859 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.756 -3.090 10.508 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.074 -3.044 8.758 1.00 0.00 H new ATOM 193 N GLU A 21 3.206 -0.966 7.118 1.00 0.00 N ATOM 194 CA GLU A 21 3.530 -0.142 5.916 1.00 0.00 C ATOM 195 C GLU A 21 2.553 1.031 5.848 1.00 0.00 C ATOM 196 O GLU A 21 2.932 2.176 5.974 1.00 0.00 O ATOM 197 CB GLU A 21 3.395 -0.993 4.653 1.00 0.00 C ATOM 198 CG GLU A 21 4.785 -1.310 4.100 1.00 0.00 C ATOM 199 CD GLU A 21 4.653 -1.975 2.730 1.00 0.00 C ATOM 200 OE1 GLU A 21 3.553 -1.982 2.200 1.00 0.00 O ATOM 201 OE2 GLU A 21 5.652 -2.469 2.232 1.00 0.00 O ATOM 0 H GLU A 21 2.882 -1.913 6.922 1.00 0.00 H new ATOM 0 HA GLU A 21 4.553 0.227 5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.863 -1.917 4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.807 -0.462 3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.371 -0.395 4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.318 -1.969 4.785 1.00 0.00 H new ATOM 208 N ILE A 22 1.291 0.751 5.663 1.00 0.00 N ATOM 209 CA ILE A 22 0.282 1.855 5.611 1.00 0.00 C ATOM 210 C ILE A 22 0.603 2.841 6.734 1.00 0.00 C ATOM 211 O ILE A 22 0.645 4.040 6.546 1.00 0.00 O ATOM 212 CB ILE A 22 -1.152 1.287 5.755 1.00 0.00 C ATOM 213 CG1 ILE A 22 -1.991 2.132 6.726 1.00 0.00 C ATOM 214 CG2 ILE A 22 -1.118 -0.156 6.226 1.00 0.00 C ATOM 215 CD1 ILE A 22 -2.034 3.578 6.220 1.00 0.00 C ATOM 0 H ILE A 22 0.914 -0.189 5.546 1.00 0.00 H new ATOM 0 HA ILE A 22 0.328 2.367 4.650 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.618 1.326 4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.001 1.729 6.800 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.559 2.096 7.726 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.137 -0.532 6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.572 -0.762 5.503 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.621 -0.211 7.194 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.628 4.185 6.903 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.020 3.976 6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.485 3.603 5.228 1.00 0.00 H new ATOM 227 N TRP A 23 0.831 2.320 7.892 1.00 0.00 N ATOM 228 CA TRP A 23 1.160 3.169 9.064 1.00 0.00 C ATOM 229 C TRP A 23 2.283 4.150 8.724 1.00 0.00 C ATOM 230 O TRP A 23 2.077 5.344 8.640 1.00 0.00 O ATOM 231 CB TRP A 23 1.635 2.270 10.198 1.00 0.00 C ATOM 232 CG TRP A 23 0.503 1.988 11.119 1.00 0.00 C ATOM 233 CD1 TRP A 23 -0.598 1.264 10.814 1.00 0.00 C ATOM 234 CD2 TRP A 23 0.347 2.416 12.492 1.00 0.00 C ATOM 235 NE1 TRP A 23 -1.418 1.219 11.924 1.00 0.00 N ATOM 236 CE2 TRP A 23 -0.878 1.922 12.985 1.00 0.00 C ATOM 237 CE3 TRP A 23 1.150 3.183 13.346 1.00 0.00 C ATOM 238 CZ2 TRP A 23 -1.295 2.181 14.290 1.00 0.00 C ATOM 239 CZ3 TRP A 23 0.738 3.450 14.660 1.00 0.00 C ATOM 240 CH2 TRP A 23 -0.483 2.950 15.132 1.00 0.00 C ATOM 0 H TRP A 23 0.804 1.319 8.086 1.00 0.00 H new ATOM 0 HA TRP A 23 0.271 3.730 9.352 1.00 0.00 H new ATOM 0 HB2 TRP A 23 2.030 1.337 9.795 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.448 2.752 10.741 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -0.802 0.799 9.861 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.311 0.728 11.957 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.093 3.571 12.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.237 1.792 14.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.364 4.043 15.310 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.797 3.158 16.144 1.00 0.00 H new ATOM 251 N GLU A 24 3.479 3.655 8.563 1.00 0.00 N ATOM 252 CA GLU A 24 4.629 4.565 8.269 1.00 0.00 C ATOM 253 C GLU A 24 4.336 5.419 7.033 1.00 0.00 C ATOM 254 O GLU A 24 4.818 6.527 6.911 1.00 0.00 O ATOM 255 CB GLU A 24 5.919 3.763 8.034 1.00 0.00 C ATOM 256 CG GLU A 24 5.607 2.391 7.436 1.00 0.00 C ATOM 257 CD GLU A 24 6.436 2.191 6.167 1.00 0.00 C ATOM 258 OE1 GLU A 24 7.621 2.477 6.206 1.00 0.00 O ATOM 259 OE2 GLU A 24 5.869 1.758 5.177 1.00 0.00 O ATOM 0 H GLU A 24 3.712 2.664 8.621 1.00 0.00 H new ATOM 0 HA GLU A 24 4.766 5.213 9.134 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.578 4.315 7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.453 3.641 8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.833 1.607 8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.544 2.315 7.205 1.00 0.00 H new ATOM 266 N ARG A 25 3.564 4.918 6.113 1.00 0.00 N ATOM 267 CA ARG A 25 3.263 5.713 4.891 1.00 0.00 C ATOM 268 C ARG A 25 2.235 6.802 5.217 1.00 0.00 C ATOM 269 O ARG A 25 2.530 7.980 5.180 1.00 0.00 O ATOM 270 CB ARG A 25 2.706 4.782 3.805 1.00 0.00 C ATOM 271 CG ARG A 25 1.905 5.591 2.775 1.00 0.00 C ATOM 272 CD ARG A 25 2.749 6.763 2.268 1.00 0.00 C ATOM 273 NE ARG A 25 3.235 6.467 0.891 1.00 0.00 N ATOM 274 CZ ARG A 25 2.381 6.310 -0.084 1.00 0.00 C ATOM 275 NH1 ARG A 25 1.106 6.496 0.124 1.00 0.00 N ATOM 276 NH2 ARG A 25 2.802 5.969 -1.271 1.00 0.00 N ATOM 0 H ARG A 25 3.129 3.996 6.153 1.00 0.00 H new ATOM 0 HA ARG A 25 4.177 6.186 4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.524 4.258 3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.068 4.023 4.258 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.616 4.951 1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.985 5.962 3.226 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.157 7.678 2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.594 6.931 2.935 1.00 0.00 H new ATOM 0 HE ARG A 25 4.236 6.387 0.710 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.774 6.765 1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.441 6.373 -0.640 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.798 5.825 -1.437 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.135 5.846 -2.033 1.00 0.00 H new ATOM 290 N VAL A 26 1.027 6.417 5.516 1.00 0.00 N ATOM 291 CA VAL A 26 -0.021 7.432 5.819 1.00 0.00 C ATOM 292 C VAL A 26 0.371 8.239 7.058 1.00 0.00 C ATOM 293 O VAL A 26 0.032 9.399 7.182 1.00 0.00 O ATOM 294 CB VAL A 26 -1.353 6.728 6.065 1.00 0.00 C ATOM 295 CG1 VAL A 26 -2.424 7.763 6.409 1.00 0.00 C ATOM 296 CG2 VAL A 26 -1.767 5.978 4.799 1.00 0.00 C ATOM 0 H VAL A 26 0.719 5.446 5.564 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.117 8.111 4.971 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.246 6.027 6.893 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.374 7.259 6.584 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.130 8.306 7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.532 8.463 5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.718 5.473 4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.874 6.685 3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.005 5.240 4.547 1.00 0.00 H new ATOM 306 N LEU A 27 1.069 7.639 7.980 1.00 0.00 N ATOM 307 CA LEU A 27 1.462 8.385 9.208 1.00 0.00 C ATOM 308 C LEU A 27 2.855 9.001 9.028 1.00 0.00 C ATOM 309 O LEU A 27 3.331 9.735 9.871 1.00 0.00 O ATOM 310 CB LEU A 27 1.453 7.425 10.396 1.00 0.00 C ATOM 311 CG LEU A 27 0.183 6.573 10.328 1.00 0.00 C ATOM 312 CD1 LEU A 27 0.189 5.537 11.451 1.00 0.00 C ATOM 313 CD2 LEU A 27 -1.046 7.475 10.476 1.00 0.00 C ATOM 0 H LEU A 27 1.383 6.670 7.938 1.00 0.00 H new ATOM 0 HA LEU A 27 0.753 9.193 9.390 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.337 6.788 10.374 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.485 7.982 11.332 1.00 0.00 H new ATOM 0 HG LEU A 27 0.149 6.060 9.367 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.718 4.935 11.396 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.060 4.891 11.345 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.229 6.045 12.415 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.950 6.869 10.428 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.006 7.990 11.436 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.058 8.209 9.670 1.00 0.00 H new ATOM 325 N GLY A 28 3.506 8.721 7.929 1.00 0.00 N ATOM 326 CA GLY A 28 4.858 9.304 7.690 1.00 0.00 C ATOM 327 C GLY A 28 5.796 8.941 8.839 1.00 0.00 C ATOM 328 O GLY A 28 6.380 9.799 9.471 1.00 0.00 O ATOM 0 H GLY A 28 3.159 8.113 7.187 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.262 8.931 6.749 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.784 10.388 7.599 1.00 0.00 H new ATOM 332 N VAL A 29 5.952 7.677 9.111 1.00 0.00 N ATOM 333 CA VAL A 29 6.862 7.262 10.217 1.00 0.00 C ATOM 334 C VAL A 29 7.695 6.064 9.753 1.00 0.00 C ATOM 335 O VAL A 29 7.578 5.615 8.632 1.00 0.00 O ATOM 336 CB VAL A 29 6.055 6.873 11.465 1.00 0.00 C ATOM 337 CG1 VAL A 29 6.465 7.771 12.633 1.00 0.00 C ATOM 338 CG2 VAL A 29 4.553 7.037 11.208 1.00 0.00 C ATOM 0 H VAL A 29 5.490 6.913 8.617 1.00 0.00 H new ATOM 0 HA VAL A 29 7.514 8.097 10.473 1.00 0.00 H new ATOM 0 HB VAL A 29 6.261 5.829 11.703 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.894 7.497 13.520 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.529 7.645 12.833 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.265 8.812 12.379 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.998 6.757 12.103 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.338 8.076 10.958 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.253 6.395 10.380 1.00 0.00 H new ATOM 348 N SER A 30 8.541 5.546 10.601 1.00 0.00 N ATOM 349 CA SER A 30 9.377 4.381 10.195 1.00 0.00 C ATOM 350 C SER A 30 9.746 3.565 11.435 1.00 0.00 C ATOM 351 O SER A 30 10.093 4.109 12.465 1.00 0.00 O ATOM 352 CB SER A 30 10.651 4.884 9.516 1.00 0.00 C ATOM 353 OG SER A 30 11.343 3.784 8.941 1.00 0.00 O ATOM 0 H SER A 30 8.689 5.878 11.554 1.00 0.00 H new ATOM 0 HA SER A 30 8.819 3.753 9.500 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.402 5.614 8.746 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.288 5.390 10.242 1.00 0.00 H new ATOM 0 HG SER A 30 12.159 4.104 8.503 1.00 0.00 H new ATOM 359 N GLY A 31 9.673 2.265 11.349 1.00 0.00 N ATOM 360 CA GLY A 31 10.017 1.421 12.528 1.00 0.00 C ATOM 361 C GLY A 31 8.802 1.311 13.450 1.00 0.00 C ATOM 362 O GLY A 31 8.882 0.765 14.532 1.00 0.00 O ATOM 0 H GLY A 31 9.390 1.751 10.514 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.329 0.429 12.200 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.858 1.857 13.068 1.00 0.00 H new ATOM 366 N ILE A 32 7.676 1.824 13.029 1.00 0.00 N ATOM 367 CA ILE A 32 6.455 1.749 13.879 1.00 0.00 C ATOM 368 C ILE A 32 6.355 0.351 14.500 1.00 0.00 C ATOM 369 O ILE A 32 6.495 -0.651 13.827 1.00 0.00 O ATOM 370 CB ILE A 32 5.225 2.042 13.015 1.00 0.00 C ATOM 371 CG1 ILE A 32 5.328 3.466 12.469 1.00 0.00 C ATOM 372 CG2 ILE A 32 3.958 1.923 13.856 1.00 0.00 C ATOM 373 CD1 ILE A 32 5.209 3.446 10.945 1.00 0.00 C ATOM 0 H ILE A 32 7.551 2.292 12.131 1.00 0.00 H new ATOM 0 HA ILE A 32 6.509 2.485 14.681 1.00 0.00 H new ATOM 0 HB ILE A 32 5.182 1.326 12.195 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.541 4.087 12.896 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.279 3.910 12.763 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.088 2.133 13.234 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.882 0.913 14.258 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.998 2.638 14.677 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.283 4.463 10.561 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.012 2.840 10.525 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.247 3.020 10.661 1.00 0.00 H new ATOM 385 N GLY A 33 6.135 0.282 15.786 1.00 0.00 N ATOM 386 CA GLY A 33 6.048 -1.042 16.470 1.00 0.00 C ATOM 387 C GLY A 33 4.748 -1.761 16.081 1.00 0.00 C ATOM 388 O GLY A 33 4.383 -1.809 14.924 1.00 0.00 O ATOM 0 H GLY A 33 6.011 1.090 16.396 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.906 -1.656 16.198 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.085 -0.903 17.551 1.00 0.00 H new ATOM 392 N ILE A 34 4.052 -2.337 17.033 1.00 0.00 N ATOM 393 CA ILE A 34 2.789 -3.062 16.701 1.00 0.00 C ATOM 394 C ILE A 34 1.603 -2.416 17.424 1.00 0.00 C ATOM 395 O ILE A 34 0.639 -2.026 16.803 1.00 0.00 O ATOM 396 CB ILE A 34 2.902 -4.536 17.120 1.00 0.00 C ATOM 397 CG1 ILE A 34 3.936 -4.690 18.244 1.00 0.00 C ATOM 398 CG2 ILE A 34 3.327 -5.383 15.918 1.00 0.00 C ATOM 399 CD1 ILE A 34 5.354 -4.541 17.681 1.00 0.00 C ATOM 0 H ILE A 34 4.305 -2.335 18.021 1.00 0.00 H new ATOM 0 HA ILE A 34 2.628 -3.004 15.625 1.00 0.00 H new ATOM 0 HB ILE A 34 1.931 -4.874 17.481 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.762 -3.939 19.014 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.826 -5.665 18.719 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.406 -6.428 16.219 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.584 -5.289 15.126 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.294 -5.037 15.552 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.079 -4.652 18.487 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.529 -5.309 16.927 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.464 -3.556 17.227 1.00 0.00 H new ATOM 411 N LEU A 35 1.642 -2.290 18.722 1.00 0.00 N ATOM 412 CA LEU A 35 0.485 -1.659 19.417 1.00 0.00 C ATOM 413 C LEU A 35 0.745 -0.164 19.549 1.00 0.00 C ATOM 414 O LEU A 35 0.446 0.455 20.552 1.00 0.00 O ATOM 415 CB LEU A 35 0.274 -2.284 20.798 1.00 0.00 C ATOM 416 CG LEU A 35 -1.222 -2.285 21.121 1.00 0.00 C ATOM 417 CD1 LEU A 35 -1.542 -3.443 22.067 1.00 0.00 C ATOM 418 CD2 LEU A 35 -1.601 -0.961 21.786 1.00 0.00 C ATOM 0 H LEU A 35 2.410 -2.590 19.322 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.420 -1.826 18.833 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.663 -3.302 20.814 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.822 -1.721 21.554 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.791 -2.404 20.199 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.608 -3.442 22.296 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.274 -4.386 21.591 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.973 -3.327 22.989 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.666 -0.961 22.016 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.031 -0.840 22.707 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.376 -0.137 21.109 1.00 0.00 H new ATOM 430 N ASP A 36 1.296 0.417 18.523 1.00 0.00 N ATOM 431 CA ASP A 36 1.585 1.876 18.536 1.00 0.00 C ATOM 432 C ASP A 36 0.292 2.661 18.761 1.00 0.00 C ATOM 433 O ASP A 36 -0.756 2.102 19.019 1.00 0.00 O ATOM 434 CB ASP A 36 2.156 2.285 17.180 1.00 0.00 C ATOM 435 CG ASP A 36 3.676 2.435 17.280 1.00 0.00 C ATOM 436 OD1 ASP A 36 4.266 1.757 18.104 1.00 0.00 O ATOM 437 OD2 ASP A 36 4.223 3.228 16.531 1.00 0.00 O ATOM 0 H ASP A 36 1.562 -0.064 17.664 1.00 0.00 H new ATOM 0 HA ASP A 36 2.295 2.089 19.335 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.904 1.537 16.429 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.709 3.225 16.856 1.00 0.00 H new ATOM 442 N ASN A 37 0.366 3.958 18.637 1.00 0.00 N ATOM 443 CA ASN A 37 -0.845 4.805 18.812 1.00 0.00 C ATOM 444 C ASN A 37 -0.996 5.684 17.570 1.00 0.00 C ATOM 445 O ASN A 37 -0.156 6.512 17.278 1.00 0.00 O ATOM 446 CB ASN A 37 -0.685 5.687 20.054 1.00 0.00 C ATOM 447 CG ASN A 37 -1.076 4.892 21.300 1.00 0.00 C ATOM 448 OD1 ASN A 37 -2.066 4.189 21.299 1.00 0.00 O ATOM 449 ND2 ASN A 37 -0.333 4.977 22.370 1.00 0.00 N ATOM 0 H ASN A 37 1.221 4.470 18.420 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.728 4.179 18.940 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.346 6.031 20.138 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.311 6.575 19.965 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.584 4.452 23.208 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.498 5.568 22.368 1.00 0.00 H new ATOM 456 N PHE A 38 -2.046 5.496 16.820 1.00 0.00 N ATOM 457 CA PHE A 38 -2.231 6.313 15.577 1.00 0.00 C ATOM 458 C PHE A 38 -1.850 7.773 15.838 1.00 0.00 C ATOM 459 O PHE A 38 -1.478 8.487 14.927 1.00 0.00 O ATOM 460 CB PHE A 38 -3.699 6.235 15.100 1.00 0.00 C ATOM 461 CG PHE A 38 -3.960 4.900 14.429 1.00 0.00 C ATOM 462 CD1 PHE A 38 -3.157 4.481 13.363 1.00 0.00 C ATOM 463 CD2 PHE A 38 -4.985 4.067 14.894 1.00 0.00 C ATOM 464 CE1 PHE A 38 -3.372 3.235 12.770 1.00 0.00 C ATOM 465 CE2 PHE A 38 -5.202 2.822 14.296 1.00 0.00 C ATOM 466 CZ PHE A 38 -4.394 2.404 13.240 1.00 0.00 C ATOM 0 H PHE A 38 -2.783 4.817 17.008 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.581 5.910 14.800 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.372 6.362 15.948 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.907 7.047 14.404 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.369 5.123 12.998 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.609 4.387 15.716 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.749 2.913 11.949 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.997 2.183 14.653 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.557 1.438 12.785 1.00 0.00 H new ATOM 476 N PHE A 39 -1.914 8.234 17.057 1.00 0.00 N ATOM 477 CA PHE A 39 -1.523 9.648 17.307 1.00 0.00 C ATOM 478 C PHE A 39 -0.100 9.696 17.852 1.00 0.00 C ATOM 479 O PHE A 39 0.227 10.505 18.698 1.00 0.00 O ATOM 480 CB PHE A 39 -2.466 10.321 18.306 1.00 0.00 C ATOM 481 CG PHE A 39 -2.399 11.825 18.109 1.00 0.00 C ATOM 482 CD1 PHE A 39 -1.365 12.391 17.342 1.00 0.00 C ATOM 483 CD2 PHE A 39 -3.366 12.654 18.689 1.00 0.00 C ATOM 484 CE1 PHE A 39 -1.304 13.774 17.157 1.00 0.00 C ATOM 485 CE2 PHE A 39 -3.301 14.041 18.502 1.00 0.00 C ATOM 486 CZ PHE A 39 -2.269 14.598 17.735 1.00 0.00 C ATOM 0 H PHE A 39 -2.214 7.704 17.875 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.584 10.186 16.361 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.486 9.967 18.159 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.182 10.061 19.326 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.616 11.754 16.895 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.162 12.225 19.280 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.509 14.205 16.566 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.047 14.681 18.949 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.221 15.667 17.591 1.00 0.00 H new ATOM 496 N GLN A 40 0.754 8.845 17.362 1.00 0.00 N ATOM 497 CA GLN A 40 2.164 8.854 17.838 1.00 0.00 C ATOM 498 C GLN A 40 2.919 9.962 17.095 1.00 0.00 C ATOM 499 O GLN A 40 4.031 10.306 17.438 1.00 0.00 O ATOM 500 CB GLN A 40 2.815 7.485 17.531 1.00 0.00 C ATOM 501 CG GLN A 40 2.456 6.486 18.636 1.00 0.00 C ATOM 502 CD GLN A 40 2.907 7.035 19.990 1.00 0.00 C ATOM 503 OE1 GLN A 40 2.096 7.476 20.780 1.00 0.00 O ATOM 504 NE2 GLN A 40 4.176 7.026 20.294 1.00 0.00 N ATOM 0 H GLN A 40 0.538 8.144 16.653 1.00 0.00 H new ATOM 0 HA GLN A 40 2.200 9.034 18.912 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.469 7.115 16.566 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.897 7.593 17.462 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.381 6.308 18.644 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.936 5.527 18.443 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.857 6.656 19.631 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.487 7.389 21.195 1.00 0.00 H new ATOM 513 N ILE A 41 2.309 10.522 16.079 1.00 0.00 N ATOM 514 CA ILE A 41 2.961 11.609 15.293 1.00 0.00 C ATOM 515 C ILE A 41 2.178 11.800 13.991 1.00 0.00 C ATOM 516 O ILE A 41 2.704 11.627 12.909 1.00 0.00 O ATOM 517 CB ILE A 41 4.407 11.221 14.968 1.00 0.00 C ATOM 518 CG1 ILE A 41 4.999 12.231 13.983 1.00 0.00 C ATOM 519 CG2 ILE A 41 4.431 9.826 14.342 1.00 0.00 C ATOM 520 CD1 ILE A 41 6.075 13.059 14.688 1.00 0.00 C ATOM 0 H ILE A 41 1.375 10.267 15.759 1.00 0.00 H new ATOM 0 HA ILE A 41 2.966 12.534 15.870 1.00 0.00 H new ATOM 0 HB ILE A 41 4.997 11.220 15.885 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.428 11.711 13.126 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.215 12.884 13.600 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.459 9.549 14.110 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.010 9.105 15.043 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.841 9.828 13.426 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.498 13.779 13.987 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.632 13.590 15.530 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.863 12.399 15.049 1.00 0.00 H new ATOM 532 N GLY A 42 0.919 12.143 14.086 1.00 0.00 N ATOM 533 CA GLY A 42 0.104 12.327 12.852 1.00 0.00 C ATOM 534 C GLY A 42 -1.111 11.399 12.900 1.00 0.00 C ATOM 535 O GLY A 42 -1.162 10.392 12.223 1.00 0.00 O ATOM 0 H GLY A 42 0.423 12.303 14.963 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.220 13.364 12.769 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.706 12.110 11.970 1.00 0.00 H new ATOM 539 N GLY A 43 -2.090 11.728 13.699 1.00 0.00 N ATOM 540 CA GLY A 43 -3.299 10.861 13.790 1.00 0.00 C ATOM 541 C GLY A 43 -4.553 11.685 13.491 1.00 0.00 C ATOM 542 O GLY A 43 -5.069 11.672 12.392 1.00 0.00 O ATOM 0 H GLY A 43 -2.105 12.558 14.291 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.219 10.035 13.084 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.369 10.423 14.786 1.00 0.00 H new ATOM 546 N HIS A 44 -5.050 12.399 14.466 1.00 0.00 N ATOM 547 CA HIS A 44 -6.276 13.218 14.243 1.00 0.00 C ATOM 548 C HIS A 44 -7.450 12.297 13.909 1.00 0.00 C ATOM 549 O HIS A 44 -8.311 12.050 14.731 1.00 0.00 O ATOM 550 CB HIS A 44 -6.043 14.190 13.084 1.00 0.00 C ATOM 551 CG HIS A 44 -7.289 14.998 12.854 1.00 0.00 C ATOM 552 ND1 HIS A 44 -8.377 14.496 12.157 1.00 0.00 N ATOM 553 CD2 HIS A 44 -7.638 16.272 13.228 1.00 0.00 C ATOM 554 CE1 HIS A 44 -9.320 15.455 12.133 1.00 0.00 C ATOM 555 NE2 HIS A 44 -8.922 16.558 12.772 1.00 0.00 N ATOM 0 H HIS A 44 -4.660 12.450 15.407 1.00 0.00 H new ATOM 0 HA HIS A 44 -6.502 13.783 15.147 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.205 14.849 13.310 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.781 13.640 12.180 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.012 16.949 13.790 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -10.282 15.346 11.655 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.446 17.424 12.899 1.00 0.00 H new ATOM 563 N SER A 45 -7.493 11.785 12.710 1.00 0.00 N ATOM 564 CA SER A 45 -8.613 10.878 12.329 1.00 0.00 C ATOM 565 C SER A 45 -8.508 10.533 10.843 1.00 0.00 C ATOM 566 O SER A 45 -8.357 9.387 10.471 1.00 0.00 O ATOM 567 CB SER A 45 -9.948 11.575 12.598 1.00 0.00 C ATOM 568 OG SER A 45 -10.776 10.720 13.374 1.00 0.00 O ATOM 0 H SER A 45 -6.803 11.955 11.979 1.00 0.00 H new ATOM 0 HA SER A 45 -8.556 9.963 12.919 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.781 12.515 13.125 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.440 11.820 11.657 1.00 0.00 H new ATOM 0 HG SER A 45 -11.632 11.164 13.550 1.00 0.00 H new ATOM 574 N LEU A 46 -8.592 11.516 9.990 1.00 0.00 N ATOM 575 CA LEU A 46 -8.503 11.244 8.527 1.00 0.00 C ATOM 576 C LEU A 46 -7.271 10.381 8.238 1.00 0.00 C ATOM 577 O LEU A 46 -7.332 9.431 7.485 1.00 0.00 O ATOM 578 CB LEU A 46 -8.392 12.568 7.769 1.00 0.00 C ATOM 579 CG LEU A 46 -9.654 12.783 6.930 1.00 0.00 C ATOM 580 CD1 LEU A 46 -9.750 11.689 5.866 1.00 0.00 C ATOM 581 CD2 LEU A 46 -10.886 12.719 7.837 1.00 0.00 C ATOM 0 H LEU A 46 -8.718 12.496 10.242 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.398 10.713 8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.265 13.392 8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.512 12.558 7.126 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.607 13.759 6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.648 11.841 5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.873 11.731 5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.797 10.714 6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.785 12.872 7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.932 11.743 8.319 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.819 13.497 8.598 1.00 0.00 H new ATOM 593 N LYS A 47 -6.152 10.702 8.830 1.00 0.00 N ATOM 594 CA LYS A 47 -4.923 9.896 8.584 1.00 0.00 C ATOM 595 C LYS A 47 -5.183 8.444 8.990 1.00 0.00 C ATOM 596 O LYS A 47 -5.302 7.559 8.157 1.00 0.00 O ATOM 597 CB LYS A 47 -3.771 10.463 9.416 1.00 0.00 C ATOM 598 CG LYS A 47 -2.459 10.304 8.646 1.00 0.00 C ATOM 599 CD LYS A 47 -2.310 11.454 7.648 1.00 0.00 C ATOM 600 CE LYS A 47 -0.953 12.128 7.850 1.00 0.00 C ATOM 601 NZ LYS A 47 -1.159 13.527 8.321 1.00 0.00 N ATOM 0 H LYS A 47 -6.036 11.486 9.472 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.661 9.937 7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.951 11.515 9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.709 9.944 10.372 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.617 10.298 9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.447 9.349 8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.394 11.078 6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.113 12.178 7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.363 11.571 8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.391 12.126 6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.236 13.986 8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.706 14.055 7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.679 13.517 9.222 1.00 0.00 H new ATOM 615 N ALA A 48 -5.281 8.187 10.265 1.00 0.00 N ATOM 616 CA ALA A 48 -5.545 6.795 10.708 1.00 0.00 C ATOM 617 C ALA A 48 -6.686 6.237 9.863 1.00 0.00 C ATOM 618 O ALA A 48 -6.616 5.132 9.362 1.00 0.00 O ATOM 619 CB ALA A 48 -5.933 6.785 12.181 1.00 0.00 C ATOM 0 H ALA A 48 -5.190 8.876 11.012 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.652 6.183 10.584 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.125 5.761 12.500 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.120 7.203 12.774 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.832 7.384 12.325 1.00 0.00 H new ATOM 625 N MET A 49 -7.728 7.008 9.663 1.00 0.00 N ATOM 626 CA MET A 49 -8.842 6.519 8.807 1.00 0.00 C ATOM 627 C MET A 49 -8.211 5.975 7.532 1.00 0.00 C ATOM 628 O MET A 49 -8.458 4.856 7.135 1.00 0.00 O ATOM 629 CB MET A 49 -9.793 7.676 8.461 1.00 0.00 C ATOM 630 CG MET A 49 -11.159 7.176 7.930 1.00 0.00 C ATOM 631 SD MET A 49 -11.115 5.416 7.460 1.00 0.00 S ATOM 632 CE MET A 49 -11.747 5.595 5.773 1.00 0.00 C ATOM 0 H MET A 49 -7.850 7.943 10.052 1.00 0.00 H new ATOM 0 HA MET A 49 -9.419 5.751 9.323 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.953 8.289 9.348 1.00 0.00 H new ATOM 0 HB3 MET A 49 -9.326 8.315 7.711 1.00 0.00 H new ATOM 0 HG2 MET A 49 -11.921 7.327 8.695 1.00 0.00 H new ATOM 0 HG3 MET A 49 -11.452 7.773 7.066 1.00 0.00 H new ATOM 0 HE1 MET A 49 -11.800 4.615 5.298 1.00 0.00 H new ATOM 0 HE2 MET A 49 -12.743 6.038 5.803 1.00 0.00 H new ATOM 0 HE3 MET A 49 -11.080 6.240 5.201 1.00 0.00 H new ATOM 642 N ALA A 50 -7.364 6.751 6.903 1.00 0.00 N ATOM 643 CA ALA A 50 -6.688 6.252 5.676 1.00 0.00 C ATOM 644 C ALA A 50 -6.163 4.856 5.986 1.00 0.00 C ATOM 645 O ALA A 50 -6.326 3.931 5.214 1.00 0.00 O ATOM 646 CB ALA A 50 -5.524 7.173 5.307 1.00 0.00 C ATOM 0 H ALA A 50 -7.116 7.699 7.186 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.382 6.229 4.836 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.035 6.799 4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.900 8.179 5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.806 7.198 6.126 1.00 0.00 H new ATOM 652 N VAL A 51 -5.564 4.687 7.138 1.00 0.00 N ATOM 653 CA VAL A 51 -5.069 3.333 7.518 1.00 0.00 C ATOM 654 C VAL A 51 -6.262 2.379 7.513 1.00 0.00 C ATOM 655 O VAL A 51 -6.292 1.401 6.784 1.00 0.00 O ATOM 656 CB VAL A 51 -4.437 3.379 8.914 1.00 0.00 C ATOM 657 CG1 VAL A 51 -3.705 2.063 9.186 1.00 0.00 C ATOM 658 CG2 VAL A 51 -3.434 4.538 8.994 1.00 0.00 C ATOM 0 H VAL A 51 -5.398 5.422 7.825 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.311 2.994 6.812 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.222 3.526 9.656 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.255 2.095 10.178 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.413 1.236 9.135 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.925 1.920 8.439 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.988 4.565 9.988 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.651 4.394 8.249 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.949 5.479 8.801 1.00 0.00 H new ATOM 668 N ALA A 52 -7.269 2.669 8.293 1.00 0.00 N ATOM 669 CA ALA A 52 -8.465 1.789 8.288 1.00 0.00 C ATOM 670 C ALA A 52 -8.855 1.557 6.831 1.00 0.00 C ATOM 671 O ALA A 52 -9.195 0.461 6.431 1.00 0.00 O ATOM 672 CB ALA A 52 -9.612 2.474 9.030 1.00 0.00 C ATOM 0 H ALA A 52 -7.313 3.468 8.925 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.251 0.842 8.784 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.488 1.825 9.024 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.313 2.671 10.060 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.854 3.415 8.536 1.00 0.00 H new ATOM 678 N ALA A 53 -8.770 2.584 6.026 1.00 0.00 N ATOM 679 CA ALA A 53 -9.094 2.429 4.585 1.00 0.00 C ATOM 680 C ALA A 53 -8.148 1.380 4.015 1.00 0.00 C ATOM 681 O ALA A 53 -8.555 0.466 3.328 1.00 0.00 O ATOM 682 CB ALA A 53 -8.886 3.762 3.861 1.00 0.00 C ATOM 0 H ALA A 53 -8.489 3.523 6.309 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.132 2.124 4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.125 3.643 2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.538 4.519 4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.847 4.074 3.965 1.00 0.00 H new ATOM 688 N GLN A 54 -6.883 1.489 4.324 1.00 0.00 N ATOM 689 CA GLN A 54 -5.918 0.480 3.830 1.00 0.00 C ATOM 690 C GLN A 54 -6.454 -0.902 4.198 1.00 0.00 C ATOM 691 O GLN A 54 -6.242 -1.870 3.499 1.00 0.00 O ATOM 692 CB GLN A 54 -4.565 0.711 4.504 1.00 0.00 C ATOM 693 CG GLN A 54 -3.451 0.561 3.475 1.00 0.00 C ATOM 694 CD GLN A 54 -2.981 1.947 3.028 1.00 0.00 C ATOM 695 OE1 GLN A 54 -1.814 2.147 2.754 1.00 0.00 O ATOM 696 NE2 GLN A 54 -3.847 2.920 2.945 1.00 0.00 N ATOM 0 H GLN A 54 -6.483 2.233 4.896 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.793 0.557 2.750 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.533 1.706 4.947 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.424 -0.004 5.315 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.618 0.003 3.903 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.808 -0.008 2.617 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.826 2.752 3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.544 3.848 2.650 1.00 0.00 H new ATOM 705 N VAL A 55 -7.162 -0.989 5.293 1.00 0.00 N ATOM 706 CA VAL A 55 -7.732 -2.304 5.719 1.00 0.00 C ATOM 707 C VAL A 55 -8.923 -2.657 4.821 1.00 0.00 C ATOM 708 O VAL A 55 -9.025 -3.753 4.314 1.00 0.00 O ATOM 709 CB VAL A 55 -8.213 -2.216 7.173 1.00 0.00 C ATOM 710 CG1 VAL A 55 -8.388 -3.627 7.738 1.00 0.00 C ATOM 711 CG2 VAL A 55 -7.190 -1.458 8.024 1.00 0.00 C ATOM 0 H VAL A 55 -7.371 -0.206 5.912 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.962 -3.071 5.635 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.164 -1.684 7.198 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.730 -3.565 8.771 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.124 -4.168 7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.435 -4.154 7.702 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.543 -1.402 9.054 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.234 -1.981 7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.064 -0.450 7.629 1.00 0.00 H new ATOM 721 N HIS A 56 -9.825 -1.734 4.622 1.00 0.00 N ATOM 722 CA HIS A 56 -11.012 -2.014 3.758 1.00 0.00 C ATOM 723 C HIS A 56 -10.551 -2.181 2.309 1.00 0.00 C ATOM 724 O HIS A 56 -11.092 -2.970 1.560 1.00 0.00 O ATOM 725 CB HIS A 56 -11.989 -0.836 3.850 1.00 0.00 C ATOM 726 CG HIS A 56 -13.403 -1.338 3.749 1.00 0.00 C ATOM 727 ND1 HIS A 56 -14.059 -1.468 2.534 1.00 0.00 N ATOM 728 CD2 HIS A 56 -14.304 -1.736 4.706 1.00 0.00 C ATOM 729 CE1 HIS A 56 -15.298 -1.925 2.790 1.00 0.00 C ATOM 730 NE2 HIS A 56 -15.499 -2.107 4.098 1.00 0.00 N ATOM 0 H HIS A 56 -9.792 -0.796 5.021 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.506 -2.927 4.091 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.848 -0.307 4.793 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.789 -0.122 3.051 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -14.114 -1.758 5.769 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -16.040 -2.121 2.030 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -16.347 -2.445 4.553 1.00 0.00 H new ATOM 738 N ARG A 57 -9.548 -1.448 1.912 1.00 0.00 N ATOM 739 CA ARG A 57 -9.044 -1.568 0.516 1.00 0.00 C ATOM 740 C ARG A 57 -8.226 -2.853 0.399 1.00 0.00 C ATOM 741 O ARG A 57 -8.186 -3.489 -0.635 1.00 0.00 O ATOM 742 CB ARG A 57 -8.163 -0.360 0.192 1.00 0.00 C ATOM 743 CG ARG A 57 -9.029 0.764 -0.382 1.00 0.00 C ATOM 744 CD ARG A 57 -8.879 0.799 -1.903 1.00 0.00 C ATOM 745 NE ARG A 57 -8.816 2.215 -2.363 1.00 0.00 N ATOM 746 CZ ARG A 57 -8.178 2.518 -3.460 1.00 0.00 C ATOM 747 NH1 ARG A 57 -8.221 1.708 -4.484 1.00 0.00 N ATOM 748 NH2 ARG A 57 -7.497 3.629 -3.535 1.00 0.00 N ATOM 0 H ARG A 57 -9.056 -0.771 2.495 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.878 -1.599 -0.185 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.653 -0.017 1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.391 -0.641 -0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.073 0.606 -0.113 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.731 1.721 0.045 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.976 0.268 -2.202 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.720 0.289 -2.374 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.272 2.948 -1.820 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.753 0.840 -4.425 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.723 1.944 -5.342 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.463 4.261 -2.735 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.999 3.865 -4.393 1.00 0.00 H new ATOM 762 N GLU A 58 -7.578 -3.242 1.463 1.00 0.00 N ATOM 763 CA GLU A 58 -6.765 -4.488 1.436 1.00 0.00 C ATOM 764 C GLU A 58 -7.674 -5.694 1.670 1.00 0.00 C ATOM 765 O GLU A 58 -7.573 -6.703 1.000 1.00 0.00 O ATOM 766 CB GLU A 58 -5.720 -4.422 2.552 1.00 0.00 C ATOM 767 CG GLU A 58 -4.477 -3.658 2.075 1.00 0.00 C ATOM 768 CD GLU A 58 -4.875 -2.511 1.139 1.00 0.00 C ATOM 769 OE1 GLU A 58 -5.078 -2.773 -0.036 1.00 0.00 O ATOM 770 OE2 GLU A 58 -4.968 -1.390 1.611 1.00 0.00 O ATOM 0 H GLU A 58 -7.578 -2.746 2.354 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.273 -4.586 0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.144 -3.930 3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.440 -5.430 2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.935 -3.262 2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.801 -4.339 1.558 1.00 0.00 H new ATOM 777 N TYR A 59 -8.559 -5.595 2.623 1.00 0.00 N ATOM 778 CA TYR A 59 -9.476 -6.727 2.913 1.00 0.00 C ATOM 779 C TYR A 59 -10.922 -6.273 2.739 1.00 0.00 C ATOM 780 O TYR A 59 -11.201 -5.160 2.345 1.00 0.00 O ATOM 781 CB TYR A 59 -9.310 -7.172 4.370 1.00 0.00 C ATOM 782 CG TYR A 59 -7.857 -7.235 4.753 1.00 0.00 C ATOM 783 CD1 TYR A 59 -7.229 -6.111 5.300 1.00 0.00 C ATOM 784 CD2 TYR A 59 -7.145 -8.426 4.586 1.00 0.00 C ATOM 785 CE1 TYR A 59 -5.885 -6.178 5.678 1.00 0.00 C ATOM 786 CE2 TYR A 59 -5.802 -8.496 4.966 1.00 0.00 C ATOM 787 CZ TYR A 59 -5.170 -7.372 5.512 1.00 0.00 C ATOM 788 OH TYR A 59 -3.844 -7.440 5.887 1.00 0.00 O ATOM 0 H TYR A 59 -8.685 -4.774 3.215 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.240 -7.544 2.232 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.833 -6.478 5.028 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.769 -8.151 4.509 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.782 -5.192 5.430 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.633 -9.292 4.163 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.398 -5.310 6.098 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.252 -9.417 4.839 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.498 -8.339 5.706 1.00 0.00 H new ATOM 798 N GLN A 60 -11.836 -7.129 3.082 1.00 0.00 N ATOM 799 CA GLN A 60 -13.274 -6.784 3.008 1.00 0.00 C ATOM 800 C GLN A 60 -13.810 -6.868 4.433 1.00 0.00 C ATOM 801 O GLN A 60 -14.892 -7.362 4.683 1.00 0.00 O ATOM 802 CB GLN A 60 -14.011 -7.785 2.114 1.00 0.00 C ATOM 803 CG GLN A 60 -13.424 -7.746 0.701 1.00 0.00 C ATOM 804 CD GLN A 60 -13.762 -6.408 0.044 1.00 0.00 C ATOM 805 OE1 GLN A 60 -14.878 -6.193 -0.386 1.00 0.00 O ATOM 806 NE2 GLN A 60 -12.839 -5.492 -0.056 1.00 0.00 N ATOM 0 H GLN A 60 -11.641 -8.072 3.417 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.420 -5.790 2.585 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -13.922 -8.790 2.527 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -15.074 -7.546 2.083 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.343 -7.880 0.741 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.825 -8.567 0.106 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.902 -5.671 0.304 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -13.054 -4.597 -0.495 1.00 0.00 H new ATOM 815 N VAL A 61 -13.029 -6.407 5.375 1.00 0.00 N ATOM 816 CA VAL A 61 -13.446 -6.473 6.800 1.00 0.00 C ATOM 817 C VAL A 61 -14.140 -5.171 7.192 1.00 0.00 C ATOM 818 O VAL A 61 -13.708 -4.093 6.836 1.00 0.00 O ATOM 819 CB VAL A 61 -12.212 -6.659 7.684 1.00 0.00 C ATOM 820 CG1 VAL A 61 -12.592 -7.432 8.946 1.00 0.00 C ATOM 821 CG2 VAL A 61 -11.117 -7.430 6.933 1.00 0.00 C ATOM 0 H VAL A 61 -12.114 -5.985 5.213 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.130 -7.311 6.934 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.831 -5.673 7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -11.710 -7.562 9.573 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.350 -6.877 9.498 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -12.987 -8.409 8.669 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.248 -7.551 7.580 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.495 -8.411 6.645 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.829 -6.876 6.040 1.00 0.00 H new ATOM 831 N GLU A 62 -15.212 -5.262 7.928 1.00 0.00 N ATOM 832 CA GLU A 62 -15.929 -4.028 8.346 1.00 0.00 C ATOM 833 C GLU A 62 -15.071 -3.262 9.354 1.00 0.00 C ATOM 834 O GLU A 62 -15.095 -3.533 10.538 1.00 0.00 O ATOM 835 CB GLU A 62 -17.261 -4.406 8.993 1.00 0.00 C ATOM 836 CG GLU A 62 -18.174 -3.180 9.030 1.00 0.00 C ATOM 837 CD GLU A 62 -19.621 -3.627 9.252 1.00 0.00 C ATOM 838 OE1 GLU A 62 -19.852 -4.824 9.294 1.00 0.00 O ATOM 839 OE2 GLU A 62 -20.474 -2.763 9.377 1.00 0.00 O ATOM 0 H GLU A 62 -15.621 -6.136 8.257 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.116 -3.401 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.736 -5.210 8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.094 -4.779 10.003 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.864 -2.506 9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.093 -2.625 8.095 1.00 0.00 H new ATOM 846 N LEU A 63 -14.316 -2.303 8.894 1.00 0.00 N ATOM 847 CA LEU A 63 -13.459 -1.515 9.826 1.00 0.00 C ATOM 848 C LEU A 63 -13.922 -0.058 9.818 1.00 0.00 C ATOM 849 O LEU A 63 -13.472 0.732 9.012 1.00 0.00 O ATOM 850 CB LEU A 63 -11.996 -1.589 9.380 1.00 0.00 C ATOM 851 CG LEU A 63 -11.086 -1.359 10.591 1.00 0.00 C ATOM 852 CD1 LEU A 63 -10.513 -2.695 11.066 1.00 0.00 C ATOM 853 CD2 LEU A 63 -9.936 -0.430 10.197 1.00 0.00 C ATOM 0 H LEU A 63 -14.255 -2.030 7.913 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.544 -1.926 10.832 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.788 -2.562 8.934 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.799 -0.839 8.614 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.666 -0.905 11.394 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.866 -2.528 11.927 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.328 -3.361 11.348 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.935 -3.150 10.261 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.289 -0.267 11.059 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.360 -0.886 9.392 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.339 0.525 9.860 1.00 0.00 H new ATOM 865 N PRO A 64 -14.816 0.252 10.720 1.00 0.00 N ATOM 866 CA PRO A 64 -15.373 1.607 10.849 1.00 0.00 C ATOM 867 C PRO A 64 -14.392 2.513 11.596 1.00 0.00 C ATOM 868 O PRO A 64 -13.514 2.049 12.297 1.00 0.00 O ATOM 869 CB PRO A 64 -16.652 1.391 11.664 1.00 0.00 C ATOM 870 CG PRO A 64 -16.465 0.056 12.427 1.00 0.00 C ATOM 871 CD PRO A 64 -15.351 -0.719 11.695 1.00 0.00 C ATOM 0 HA PRO A 64 -15.563 2.090 9.891 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.814 2.216 12.358 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.525 1.347 11.012 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.191 0.239 13.466 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.392 -0.517 12.438 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.579 -1.055 12.387 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.743 -1.607 11.199 1.00 0.00 H new ATOM 879 N LEU A 65 -14.531 3.803 11.454 1.00 0.00 N ATOM 880 CA LEU A 65 -13.605 4.731 12.161 1.00 0.00 C ATOM 881 C LEU A 65 -13.689 4.458 13.662 1.00 0.00 C ATOM 882 O LEU A 65 -12.694 4.458 14.360 1.00 0.00 O ATOM 883 CB LEU A 65 -14.008 6.181 11.873 1.00 0.00 C ATOM 884 CG LEU A 65 -13.262 6.702 10.634 1.00 0.00 C ATOM 885 CD1 LEU A 65 -11.832 7.098 11.011 1.00 0.00 C ATOM 886 CD2 LEU A 65 -13.212 5.618 9.552 1.00 0.00 C ATOM 0 H LEU A 65 -15.244 4.253 10.880 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.584 4.574 11.814 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -15.084 6.242 11.711 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.779 6.808 12.735 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.794 7.573 10.251 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.311 7.466 10.127 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.859 7.881 11.768 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.306 6.229 11.406 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.681 5.999 8.680 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.692 4.741 9.939 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.227 5.341 9.267 1.00 0.00 H new ATOM 898 N LYS A 66 -14.870 4.208 14.166 1.00 0.00 N ATOM 899 CA LYS A 66 -15.006 3.915 15.620 1.00 0.00 C ATOM 900 C LYS A 66 -14.047 2.781 15.969 1.00 0.00 C ATOM 901 O LYS A 66 -13.239 2.888 16.870 1.00 0.00 O ATOM 902 CB LYS A 66 -16.445 3.489 15.934 1.00 0.00 C ATOM 903 CG LYS A 66 -16.902 4.143 17.240 1.00 0.00 C ATOM 904 CD LYS A 66 -18.089 3.365 17.814 1.00 0.00 C ATOM 905 CE LYS A 66 -19.334 3.636 16.967 1.00 0.00 C ATOM 906 NZ LYS A 66 -20.280 4.495 17.736 1.00 0.00 N ATOM 0 H LYS A 66 -15.741 4.195 13.635 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.770 4.804 16.205 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.107 3.780 15.119 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.503 2.404 16.019 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.082 4.158 17.958 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.186 5.180 17.060 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.868 2.298 17.823 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.267 3.663 18.847 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.054 4.128 16.036 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.816 2.696 16.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.127 4.680 17.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.556 4.009 18.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.818 5.396 17.971 1.00 0.00 H new ATOM 920 N VAL A 67 -14.115 1.698 15.242 1.00 0.00 N ATOM 921 CA VAL A 67 -13.194 0.562 15.510 1.00 0.00 C ATOM 922 C VAL A 67 -11.767 1.110 15.555 1.00 0.00 C ATOM 923 O VAL A 67 -10.969 0.724 16.386 1.00 0.00 O ATOM 924 CB VAL A 67 -13.346 -0.475 14.390 1.00 0.00 C ATOM 925 CG1 VAL A 67 -12.063 -1.292 14.227 1.00 0.00 C ATOM 926 CG2 VAL A 67 -14.498 -1.419 14.737 1.00 0.00 C ATOM 0 H VAL A 67 -14.770 1.553 14.474 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.425 0.081 16.460 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.549 0.047 13.455 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.195 -2.021 13.427 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.237 -0.626 13.979 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.842 -1.812 15.159 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.613 -2.159 13.945 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.283 -1.925 15.678 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.421 -0.847 14.835 1.00 0.00 H new ATOM 936 N LEU A 68 -11.447 2.027 14.681 1.00 0.00 N ATOM 937 CA LEU A 68 -10.082 2.612 14.699 1.00 0.00 C ATOM 938 C LEU A 68 -9.906 3.360 16.020 1.00 0.00 C ATOM 939 O LEU A 68 -8.811 3.498 16.527 1.00 0.00 O ATOM 940 CB LEU A 68 -9.916 3.581 13.521 1.00 0.00 C ATOM 941 CG LEU A 68 -8.439 3.656 13.121 1.00 0.00 C ATOM 942 CD1 LEU A 68 -8.180 2.735 11.929 1.00 0.00 C ATOM 943 CD2 LEU A 68 -8.090 5.091 12.726 1.00 0.00 C ATOM 0 H LEU A 68 -12.070 2.392 13.961 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.331 1.827 14.608 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.516 3.246 12.675 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.279 4.571 13.797 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.824 3.344 13.965 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.128 2.791 11.648 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.429 1.709 12.201 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.798 3.047 11.087 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.039 5.145 12.441 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.710 5.398 11.884 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.271 5.755 13.571 1.00 0.00 H new ATOM 955 N PHE A 69 -10.988 3.826 16.592 1.00 0.00 N ATOM 956 CA PHE A 69 -10.896 4.547 17.893 1.00 0.00 C ATOM 957 C PHE A 69 -10.886 3.520 19.026 1.00 0.00 C ATOM 958 O PHE A 69 -10.207 3.681 20.020 1.00 0.00 O ATOM 959 CB PHE A 69 -12.101 5.473 18.063 1.00 0.00 C ATOM 960 CG PHE A 69 -11.843 6.781 17.350 1.00 0.00 C ATOM 961 CD1 PHE A 69 -10.955 6.830 16.268 1.00 0.00 C ATOM 962 CD2 PHE A 69 -12.496 7.945 17.772 1.00 0.00 C ATOM 963 CE1 PHE A 69 -10.720 8.042 15.609 1.00 0.00 C ATOM 964 CE2 PHE A 69 -12.262 9.158 17.113 1.00 0.00 C ATOM 965 CZ PHE A 69 -11.374 9.206 16.032 1.00 0.00 C ATOM 0 H PHE A 69 -11.930 3.737 16.212 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.983 5.142 17.916 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.996 4.999 17.660 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -12.285 5.655 19.122 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.451 5.932 15.942 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -13.181 7.907 18.606 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.035 8.080 14.775 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.766 10.056 17.438 1.00 0.00 H new ATOM 0 HZ PHE A 69 -11.193 10.142 15.524 1.00 0.00 H new ATOM 975 N ALA A 70 -11.629 2.457 18.873 1.00 0.00 N ATOM 976 CA ALA A 70 -11.660 1.403 19.928 1.00 0.00 C ATOM 977 C ALA A 70 -10.312 0.695 19.947 1.00 0.00 C ATOM 978 O ALA A 70 -9.863 0.195 20.959 1.00 0.00 O ATOM 979 CB ALA A 70 -12.745 0.375 19.590 1.00 0.00 C ATOM 0 H ALA A 70 -12.217 2.273 18.061 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.869 1.857 20.897 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.769 -0.396 20.360 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.714 0.871 19.543 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.525 -0.083 18.626 1.00 0.00 H new ATOM 985 N GLN A 71 -9.682 0.631 18.811 1.00 0.00 N ATOM 986 CA GLN A 71 -8.373 -0.064 18.703 1.00 0.00 C ATOM 987 C GLN A 71 -7.526 0.694 17.677 1.00 0.00 C ATOM 988 O GLN A 71 -7.252 0.194 16.604 1.00 0.00 O ATOM 989 CB GLN A 71 -8.599 -1.518 18.238 1.00 0.00 C ATOM 990 CG GLN A 71 -10.105 -1.780 18.038 1.00 0.00 C ATOM 991 CD GLN A 71 -10.401 -3.273 18.122 1.00 0.00 C ATOM 992 OE1 GLN A 71 -9.524 -4.096 17.945 1.00 0.00 O ATOM 993 NE2 GLN A 71 -11.619 -3.656 18.390 1.00 0.00 N ATOM 0 H GLN A 71 -10.024 1.037 17.940 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.864 -0.086 19.667 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.063 -1.698 17.306 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.196 -2.211 18.976 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.677 -1.246 18.797 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.422 -1.394 17.069 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.351 -2.961 18.538 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.839 -4.650 18.452 1.00 0.00 H new ATOM 1002 N PRO A 72 -7.168 1.902 18.039 1.00 0.00 N ATOM 1003 CA PRO A 72 -6.382 2.796 17.172 1.00 0.00 C ATOM 1004 C PRO A 72 -4.903 2.407 17.132 1.00 0.00 C ATOM 1005 O PRO A 72 -4.039 3.230 17.361 1.00 0.00 O ATOM 1006 CB PRO A 72 -6.551 4.174 17.822 1.00 0.00 C ATOM 1007 CG PRO A 72 -6.946 3.916 19.295 1.00 0.00 C ATOM 1008 CD PRO A 72 -7.509 2.484 19.354 1.00 0.00 C ATOM 0 HA PRO A 72 -6.721 2.757 16.137 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.626 4.748 17.763 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.319 4.754 17.310 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.082 4.020 19.952 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.690 4.639 19.629 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.062 1.914 20.169 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.586 2.487 19.520 1.00 0.00 H new ATOM 1016 N THR A 73 -4.589 1.178 16.830 1.00 0.00 N ATOM 1017 CA THR A 73 -3.151 0.804 16.770 1.00 0.00 C ATOM 1018 C THR A 73 -2.927 -0.347 15.784 1.00 0.00 C ATOM 1019 O THR A 73 -3.856 -0.885 15.220 1.00 0.00 O ATOM 1020 CB THR A 73 -2.665 0.411 18.161 1.00 0.00 C ATOM 1021 OG1 THR A 73 -1.332 -0.062 18.071 1.00 0.00 O ATOM 1022 CG2 THR A 73 -3.567 -0.680 18.729 1.00 0.00 C ATOM 0 H THR A 73 -5.252 0.430 16.626 1.00 0.00 H new ATOM 0 HA THR A 73 -2.581 1.664 16.419 1.00 0.00 H new ATOM 0 HB THR A 73 -2.698 1.277 18.822 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.741 0.673 17.806 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.218 -0.960 19.723 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.590 -0.309 18.794 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.539 -1.552 18.076 1.00 0.00 H new ATOM 1030 N ILE A 74 -1.686 -0.711 15.568 1.00 0.00 N ATOM 1031 CA ILE A 74 -1.371 -1.814 14.602 1.00 0.00 C ATOM 1032 C ILE A 74 -1.766 -3.173 15.182 1.00 0.00 C ATOM 1033 O ILE A 74 -2.657 -3.831 14.684 1.00 0.00 O ATOM 1034 CB ILE A 74 0.131 -1.850 14.267 1.00 0.00 C ATOM 1035 CG1 ILE A 74 0.803 -0.511 14.592 1.00 0.00 C ATOM 1036 CG2 ILE A 74 0.298 -2.139 12.776 1.00 0.00 C ATOM 1037 CD1 ILE A 74 2.270 -0.572 14.171 1.00 0.00 C ATOM 0 H ILE A 74 -0.874 -0.291 16.020 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.942 -1.615 13.695 1.00 0.00 H new ATOM 0 HB ILE A 74 0.602 -2.628 14.868 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.296 0.301 14.070 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.727 -0.301 15.659 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.359 -2.167 12.527 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.156 -3.101 12.539 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.190 -1.355 12.197 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.754 0.378 14.399 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.771 -1.374 14.713 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.333 -0.763 13.100 1.00 0.00 H new ATOM 1049 N LYS A 75 -1.096 -3.602 16.216 1.00 0.00 N ATOM 1050 CA LYS A 75 -1.406 -4.926 16.826 1.00 0.00 C ATOM 1051 C LYS A 75 -2.914 -5.130 16.846 1.00 0.00 C ATOM 1052 O LYS A 75 -3.432 -6.086 16.304 1.00 0.00 O ATOM 1053 CB LYS A 75 -0.868 -4.967 18.259 1.00 0.00 C ATOM 1054 CG LYS A 75 -1.440 -6.187 18.984 1.00 0.00 C ATOM 1055 CD LYS A 75 -0.403 -6.732 19.967 1.00 0.00 C ATOM 1056 CE LYS A 75 -0.997 -6.741 21.377 1.00 0.00 C ATOM 1057 NZ LYS A 75 -0.771 -8.073 22.007 1.00 0.00 N ATOM 0 H LYS A 75 -0.340 -3.087 16.668 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.937 -5.716 16.240 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.221 -5.014 18.249 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.143 -4.054 18.788 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.351 -5.913 19.516 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.712 -6.957 18.262 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.107 -7.741 19.679 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.496 -6.116 19.943 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.537 -5.959 21.981 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.064 -6.524 21.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.175 -8.077 22.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.230 -8.810 21.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.250 -8.262 22.062 1.00 0.00 H new ATOM 1071 N ALA A 76 -3.625 -4.231 17.457 1.00 0.00 N ATOM 1072 CA ALA A 76 -5.102 -4.366 17.501 1.00 0.00 C ATOM 1073 C ALA A 76 -5.641 -4.387 16.067 1.00 0.00 C ATOM 1074 O ALA A 76 -6.332 -5.299 15.676 1.00 0.00 O ATOM 1075 CB ALA A 76 -5.691 -3.183 18.271 1.00 0.00 C ATOM 0 H ALA A 76 -3.248 -3.409 17.928 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.383 -5.291 18.004 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.776 -3.276 18.307 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.294 -3.175 19.286 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.423 -2.253 17.770 1.00 0.00 H new ATOM 1081 N LEU A 77 -5.321 -3.401 15.269 1.00 0.00 N ATOM 1082 CA LEU A 77 -5.816 -3.409 13.859 1.00 0.00 C ATOM 1083 C LEU A 77 -5.503 -4.770 13.241 1.00 0.00 C ATOM 1084 O LEU A 77 -6.389 -5.527 12.896 1.00 0.00 O ATOM 1085 CB LEU A 77 -5.097 -2.323 13.043 1.00 0.00 C ATOM 1086 CG LEU A 77 -5.977 -1.075 12.841 1.00 0.00 C ATOM 1087 CD1 LEU A 77 -6.699 -1.173 11.499 1.00 0.00 C ATOM 1088 CD2 LEU A 77 -7.013 -0.940 13.961 1.00 0.00 C ATOM 0 H LEU A 77 -4.745 -2.600 15.528 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.889 -3.217 13.851 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.176 -2.038 13.551 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.813 -2.728 12.071 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.332 -0.197 12.859 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.322 -0.290 11.356 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.966 -1.234 10.695 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.326 -2.065 11.487 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.619 -0.050 13.791 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.656 -1.820 13.970 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.503 -0.853 14.920 1.00 0.00 H new ATOM 1100 N ALA A 78 -4.245 -5.086 13.102 1.00 0.00 N ATOM 1101 CA ALA A 78 -3.873 -6.395 12.511 1.00 0.00 C ATOM 1102 C ALA A 78 -4.719 -7.490 13.155 1.00 0.00 C ATOM 1103 O ALA A 78 -5.078 -8.457 12.528 1.00 0.00 O ATOM 1104 CB ALA A 78 -2.390 -6.670 12.772 1.00 0.00 C ATOM 0 H ALA A 78 -3.461 -4.492 13.373 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.051 -6.379 11.436 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.116 -7.632 12.338 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.789 -5.883 12.318 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.208 -6.692 13.846 1.00 0.00 H new ATOM 1110 N GLN A 79 -5.045 -7.345 14.405 1.00 0.00 N ATOM 1111 CA GLN A 79 -5.870 -8.385 15.077 1.00 0.00 C ATOM 1112 C GLN A 79 -7.334 -8.217 14.653 1.00 0.00 C ATOM 1113 O GLN A 79 -8.033 -9.178 14.409 1.00 0.00 O ATOM 1114 CB GLN A 79 -5.697 -8.244 16.601 1.00 0.00 C ATOM 1115 CG GLN A 79 -6.974 -7.716 17.268 1.00 0.00 C ATOM 1116 CD GLN A 79 -6.853 -7.844 18.788 1.00 0.00 C ATOM 1117 OE1 GLN A 79 -5.680 -8.038 19.329 1.00 0.00 O flip ATOM 1118 NE2 GLN A 79 -7.839 -7.766 19.495 1.00 0.00 N flip ATOM 0 H GLN A 79 -4.778 -6.554 14.991 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.550 -9.386 14.787 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.436 -9.212 17.029 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.869 -7.568 16.813 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.135 -6.674 16.993 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.839 -8.277 16.914 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.756 -7.615 19.076 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.749 -7.852 20.507 1.00 0.00 H new ATOM 1127 N TYR A 80 -7.803 -7.005 14.554 1.00 0.00 N ATOM 1128 CA TYR A 80 -9.212 -6.798 14.132 1.00 0.00 C ATOM 1129 C TYR A 80 -9.385 -7.403 12.740 1.00 0.00 C ATOM 1130 O TYR A 80 -10.420 -7.942 12.401 1.00 0.00 O ATOM 1131 CB TYR A 80 -9.527 -5.301 14.088 1.00 0.00 C ATOM 1132 CG TYR A 80 -10.978 -5.090 14.445 1.00 0.00 C ATOM 1133 CD1 TYR A 80 -11.390 -5.154 15.783 1.00 0.00 C ATOM 1134 CD2 TYR A 80 -11.913 -4.834 13.437 1.00 0.00 C ATOM 1135 CE1 TYR A 80 -12.738 -4.961 16.110 1.00 0.00 C ATOM 1136 CE2 TYR A 80 -13.261 -4.642 13.764 1.00 0.00 C ATOM 1137 CZ TYR A 80 -13.672 -4.706 15.100 1.00 0.00 C ATOM 1138 OH TYR A 80 -15.000 -4.517 15.423 1.00 0.00 O ATOM 0 H TYR A 80 -7.274 -6.154 14.746 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.891 -7.275 14.839 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.886 -4.761 14.785 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.323 -4.903 13.094 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.668 -5.352 16.562 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -11.595 -4.784 12.406 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -13.056 -5.009 17.141 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -13.983 -4.445 12.985 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.515 -4.350 14.606 1.00 0.00 H new ATOM 1148 N VAL A 81 -8.357 -7.323 11.942 1.00 0.00 N ATOM 1149 CA VAL A 81 -8.414 -7.899 10.564 1.00 0.00 C ATOM 1150 C VAL A 81 -7.964 -9.353 10.616 1.00 0.00 C ATOM 1151 O VAL A 81 -8.714 -10.276 10.365 1.00 0.00 O ATOM 1152 CB VAL A 81 -7.447 -7.151 9.619 1.00 0.00 C ATOM 1153 CG1 VAL A 81 -8.209 -6.664 8.390 1.00 0.00 C ATOM 1154 CG2 VAL A 81 -6.810 -5.954 10.331 1.00 0.00 C ATOM 0 H VAL A 81 -7.471 -6.880 12.185 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.436 -7.808 10.197 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.657 -7.838 9.317 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.526 -6.136 7.724 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.639 -7.518 7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.007 -5.989 8.700 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.133 -5.442 9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.591 -5.265 10.653 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.253 -6.302 11.200 1.00 0.00 H new ATOM 1164 N ALA A 82 -6.716 -9.535 10.923 1.00 0.00 N ATOM 1165 CA ALA A 82 -6.115 -10.888 10.989 1.00 0.00 C ATOM 1166 C ALA A 82 -6.869 -11.770 11.988 1.00 0.00 C ATOM 1167 O ALA A 82 -6.908 -12.978 11.856 1.00 0.00 O ATOM 1168 CB ALA A 82 -4.664 -10.720 11.426 1.00 0.00 C ATOM 0 H ALA A 82 -6.068 -8.777 11.138 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.173 -11.375 10.015 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.187 -11.698 11.486 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.135 -10.102 10.701 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.632 -10.240 12.404 1.00 0.00 H new ATOM 1174 N THR A 83 -7.467 -11.183 12.985 1.00 0.00 N ATOM 1175 CA THR A 83 -8.216 -11.995 13.988 1.00 0.00 C ATOM 1176 C THR A 83 -9.655 -11.484 14.082 1.00 0.00 C ATOM 1177 O THR A 83 -10.452 -12.134 14.740 1.00 0.00 O ATOM 1178 CB THR A 83 -7.541 -11.873 15.358 1.00 0.00 C ATOM 1179 OG1 THR A 83 -6.132 -11.949 15.199 1.00 0.00 O ATOM 1180 CG2 THR A 83 -8.017 -13.010 16.264 1.00 0.00 C ATOM 0 H THR A 83 -7.471 -10.177 13.151 1.00 0.00 H new ATOM 0 HA THR A 83 -8.218 -13.040 13.679 1.00 0.00 H new ATOM 0 HB THR A 83 -7.804 -10.916 15.810 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.699 -11.869 16.075 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.537 -12.924 17.239 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.099 -12.950 16.385 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.755 -13.968 15.814 1.00 0.00 H new TER 1188 THR A 83