USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 575 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 43 LYS NZ :NH3+ 170:sc= -0.942 (180deg=-1.31) USER MOD Set 1.2: A 58 GLN : amide:sc= -0.332 K(o=-1.3,f=-2.2) USER MOD Set 2.1: A 35 ASN :FLIP amide:sc= 0.719 F(o=-0.0017,f=1.3) USER MOD Set 2.2: A 37 THR OG1 : rot -57:sc= 0.625 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -50:sc= 0.684 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 151:sc= 0.391 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 25 MET CE :methyl -153:sc= -2.8 (180deg=-6.11!) USER MOD Single : A 26 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0123) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0872 X(o=-0.087,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0809 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.764 -2.060 0.570 1.00 0.00 N ATOM 2 CA MET A 1 -3.485 -3.314 0.755 1.00 0.00 C ATOM 3 C MET A 1 -2.758 -4.466 0.067 1.00 0.00 C ATOM 4 O MET A 1 -3.269 -5.052 -0.888 1.00 0.00 O ATOM 5 CB MET A 1 -4.908 -3.194 0.207 1.00 0.00 C ATOM 6 CG MET A 1 -5.826 -2.352 1.078 1.00 0.00 C ATOM 7 SD MET A 1 -7.568 -2.571 0.668 1.00 0.00 S ATOM 8 CE MET A 1 -8.018 -0.902 0.200 1.00 0.00 C ATOM 0 H1 MET A 1 -3.277 -1.291 1.046 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.811 -2.144 0.977 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.689 -1.849 -0.446 1.00 0.00 H new ATOM 0 HA MET A 1 -3.531 -3.524 1.824 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.868 -2.759 -0.792 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.334 -4.192 0.103 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.668 -2.613 2.124 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.561 -1.301 0.968 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.071 -0.874 -0.081 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.850 -0.230 1.042 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.408 -0.584 -0.646 1.00 0.00 H new ATOM 18 N ASP A 2 -1.566 -4.784 0.558 1.00 0.00 N ATOM 19 CA ASP A 2 -0.770 -5.867 -0.009 1.00 0.00 C ATOM 20 C ASP A 2 -0.324 -5.527 -1.428 1.00 0.00 C ATOM 21 O ASP A 2 -0.738 -6.174 -2.389 1.00 0.00 O ATOM 22 CB ASP A 2 -1.569 -7.170 -0.010 1.00 0.00 C ATOM 23 CG ASP A 2 -2.412 -7.334 1.240 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.862 -7.771 2.272 1.00 0.00 O ATOM 25 OD2 ASP A 2 -3.621 -7.026 1.185 1.00 0.00 O ATOM 0 H ASP A 2 -1.129 -4.308 1.347 1.00 0.00 H new ATOM 0 HA ASP A 2 0.117 -5.996 0.611 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.216 -7.195 -0.887 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.883 -8.013 -0.095 1.00 0.00 H new ATOM 30 N GLU A 3 0.521 -4.508 -1.550 1.00 0.00 N ATOM 31 CA GLU A 3 1.021 -4.083 -2.852 1.00 0.00 C ATOM 32 C GLU A 3 2.079 -5.052 -3.372 1.00 0.00 C ATOM 33 O GLU A 3 3.265 -4.724 -3.428 1.00 0.00 O ATOM 34 CB GLU A 3 1.605 -2.672 -2.762 1.00 0.00 C ATOM 35 CG GLU A 3 0.628 -1.641 -2.222 1.00 0.00 C ATOM 36 CD GLU A 3 1.269 -0.283 -2.015 1.00 0.00 C ATOM 37 OE1 GLU A 3 2.272 0.010 -2.699 1.00 0.00 O ATOM 38 OE2 GLU A 3 0.768 0.487 -1.169 1.00 0.00 O ATOM 0 H GLU A 3 0.873 -3.962 -0.764 1.00 0.00 H new ATOM 0 HA GLU A 3 0.184 -4.078 -3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.487 -2.693 -2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.937 -2.362 -3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.209 -1.542 -2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.219 -1.994 -1.275 1.00 0.00 H new ATOM 45 N THR A 4 1.642 -6.249 -3.751 1.00 0.00 N ATOM 46 CA THR A 4 2.550 -7.266 -4.265 1.00 0.00 C ATOM 47 C THR A 4 2.056 -7.824 -5.595 1.00 0.00 C ATOM 48 O THR A 4 2.245 -9.002 -5.894 1.00 0.00 O ATOM 49 CB THR A 4 2.717 -8.427 -3.265 1.00 0.00 C ATOM 50 OG1 THR A 4 3.759 -9.305 -3.704 1.00 0.00 O ATOM 51 CG2 THR A 4 1.418 -9.205 -3.119 1.00 0.00 C ATOM 0 H THR A 4 0.664 -6.538 -3.711 1.00 0.00 H new ATOM 0 HA THR A 4 3.515 -6.781 -4.414 1.00 0.00 H new ATOM 0 HB THR A 4 2.982 -8.007 -2.294 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.610 -9.546 -4.642 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.560 -10.019 -2.409 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.634 -8.540 -2.757 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.128 -9.614 -4.087 1.00 0.00 H new ATOM 59 N GLY A 5 1.422 -6.968 -6.391 1.00 0.00 N ATOM 60 CA GLY A 5 0.912 -7.393 -7.681 1.00 0.00 C ATOM 61 C GLY A 5 -0.219 -8.395 -7.555 1.00 0.00 C ATOM 62 O GLY A 5 -0.088 -9.547 -7.968 1.00 0.00 O ATOM 0 H GLY A 5 1.253 -5.988 -6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.562 -6.522 -8.235 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.722 -7.835 -8.261 1.00 0.00 H new ATOM 66 N LYS A 6 -1.334 -7.956 -6.980 1.00 0.00 N ATOM 67 CA LYS A 6 -2.494 -8.822 -6.800 1.00 0.00 C ATOM 68 C LYS A 6 -3.708 -8.017 -6.346 1.00 0.00 C ATOM 69 O LYS A 6 -3.578 -7.057 -5.587 1.00 0.00 O ATOM 70 CB LYS A 6 -2.184 -9.917 -5.777 1.00 0.00 C ATOM 71 CG LYS A 6 -2.145 -9.418 -4.343 1.00 0.00 C ATOM 72 CD LYS A 6 -3.491 -9.586 -3.658 1.00 0.00 C ATOM 73 CE LYS A 6 -3.605 -10.941 -2.978 1.00 0.00 C ATOM 74 NZ LYS A 6 -3.050 -10.917 -1.596 1.00 0.00 N ATOM 0 H LYS A 6 -1.459 -7.006 -6.631 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.724 -9.284 -7.760 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.936 -10.702 -5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.223 -10.369 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.382 -9.964 -3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.858 -8.367 -4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.626 -8.795 -2.920 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.290 -9.478 -4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.652 -11.243 -2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.076 -11.689 -3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.147 -11.859 -1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.045 -10.654 -1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.571 -10.221 -1.025 1.00 0.00 H new ATOM 88 N GLU A 7 -4.886 -8.417 -6.815 1.00 0.00 N ATOM 89 CA GLU A 7 -6.122 -7.732 -6.455 1.00 0.00 C ATOM 90 C GLU A 7 -7.273 -8.725 -6.315 1.00 0.00 C ATOM 91 O GLU A 7 -7.073 -9.938 -6.388 1.00 0.00 O ATOM 92 CB GLU A 7 -6.471 -6.677 -7.507 1.00 0.00 C ATOM 93 CG GLU A 7 -5.405 -5.606 -7.670 1.00 0.00 C ATOM 94 CD GLU A 7 -5.271 -4.725 -6.443 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.312 -4.364 -5.855 1.00 0.00 O ATOM 96 OE2 GLU A 7 -4.125 -4.396 -6.071 1.00 0.00 O ATOM 0 H GLU A 7 -5.010 -9.210 -7.444 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.969 -7.241 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.628 -7.170 -8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.413 -6.202 -7.234 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.446 -6.081 -7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.647 -4.986 -8.533 1.00 0.00 H new ATOM 103 N LEU A 8 -8.477 -8.201 -6.112 1.00 0.00 N ATOM 104 CA LEU A 8 -9.660 -9.040 -5.961 1.00 0.00 C ATOM 105 C LEU A 8 -10.794 -8.550 -6.856 1.00 0.00 C ATOM 106 O LEU A 8 -11.111 -7.360 -6.878 1.00 0.00 O ATOM 107 CB LEU A 8 -10.117 -9.053 -4.501 1.00 0.00 C ATOM 108 CG LEU A 8 -9.303 -9.932 -3.551 1.00 0.00 C ATOM 109 CD1 LEU A 8 -9.543 -9.522 -2.106 1.00 0.00 C ATOM 110 CD2 LEU A 8 -9.649 -11.400 -3.755 1.00 0.00 C ATOM 0 H LEU A 8 -8.659 -7.199 -6.048 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.397 -10.054 -6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.096 -8.030 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.155 -9.383 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.245 -9.794 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.955 -10.159 -1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.245 -8.483 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.601 -9.630 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.060 -12.011 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.710 -11.554 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.425 -11.687 -4.782 1.00 0.00 H new ATOM 122 N VAL A 9 -11.404 -9.474 -7.591 1.00 0.00 N ATOM 123 CA VAL A 9 -12.505 -9.137 -8.485 1.00 0.00 C ATOM 124 C VAL A 9 -13.807 -9.777 -8.019 1.00 0.00 C ATOM 125 O VAL A 9 -13.811 -10.892 -7.495 1.00 0.00 O ATOM 126 CB VAL A 9 -12.213 -9.586 -9.929 1.00 0.00 C ATOM 127 CG1 VAL A 9 -10.925 -8.954 -10.435 1.00 0.00 C ATOM 128 CG2 VAL A 9 -12.139 -11.103 -10.010 1.00 0.00 C ATOM 0 H VAL A 9 -11.154 -10.463 -7.585 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.609 -8.052 -8.464 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.030 -9.250 -10.568 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.735 -9.283 -11.457 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.020 -7.868 -10.415 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.095 -9.257 -9.796 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.932 -11.403 -11.037 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.342 -11.464 -9.359 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.089 -11.531 -9.692 1.00 0.00 H new ATOM 138 N LEU A 10 -14.912 -9.066 -8.213 1.00 0.00 N ATOM 139 CA LEU A 10 -16.223 -9.565 -7.813 1.00 0.00 C ATOM 140 C LEU A 10 -16.991 -10.105 -9.015 1.00 0.00 C ATOM 141 O LEU A 10 -17.021 -9.481 -10.076 1.00 0.00 O ATOM 142 CB LEU A 10 -17.029 -8.455 -7.136 1.00 0.00 C ATOM 143 CG LEU A 10 -18.471 -8.802 -6.765 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.505 -9.717 -5.551 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.274 -7.536 -6.504 1.00 0.00 C ATOM 0 H LEU A 10 -14.926 -8.142 -8.645 1.00 0.00 H new ATOM 0 HA LEU A 10 -16.073 -10.380 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.504 -8.154 -6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.044 -7.589 -7.798 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.925 -9.329 -7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.540 -9.953 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.966 -10.638 -5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.033 -9.217 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.298 -7.802 -6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -18.821 -6.981 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.279 -6.917 -7.401 1.00 0.00 H new ATOM 157 N ALA A 11 -17.612 -11.267 -8.842 1.00 0.00 N ATOM 158 CA ALA A 11 -18.383 -11.888 -9.911 1.00 0.00 C ATOM 159 C ALA A 11 -19.793 -11.311 -9.978 1.00 0.00 C ATOM 160 O ALA A 11 -20.545 -11.366 -9.004 1.00 0.00 O ATOM 161 CB ALA A 11 -18.437 -13.396 -9.716 1.00 0.00 C ATOM 0 H ALA A 11 -17.596 -11.797 -7.971 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.885 -11.672 -10.856 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.016 -13.847 -10.522 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.425 -13.801 -9.726 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.909 -13.623 -8.760 1.00 0.00 H new ATOM 167 N LEU A 12 -20.146 -10.756 -11.132 1.00 0.00 N ATOM 168 CA LEU A 12 -21.467 -10.167 -11.326 1.00 0.00 C ATOM 169 C LEU A 12 -22.551 -11.239 -11.292 1.00 0.00 C ATOM 170 O LEU A 12 -23.393 -11.256 -10.394 1.00 0.00 O ATOM 171 CB LEU A 12 -21.520 -9.413 -12.656 1.00 0.00 C ATOM 172 CG LEU A 12 -20.481 -8.307 -12.843 1.00 0.00 C ATOM 173 CD1 LEU A 12 -20.497 -7.796 -14.276 1.00 0.00 C ATOM 174 CD2 LEU A 12 -20.733 -7.168 -11.866 1.00 0.00 C ATOM 0 H LEU A 12 -19.536 -10.701 -11.948 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.649 -9.467 -10.511 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.403 -10.135 -13.465 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.512 -8.974 -12.762 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.495 -8.723 -12.638 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.751 -7.009 -14.390 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.267 -8.615 -14.957 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.484 -7.397 -14.509 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -19.984 -6.390 -12.013 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.726 -6.753 -12.039 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.670 -7.544 -10.845 1.00 0.00 H new ATOM 186 N TYR A 13 -22.523 -12.133 -12.274 1.00 0.00 N ATOM 187 CA TYR A 13 -23.504 -13.209 -12.357 1.00 0.00 C ATOM 188 C TYR A 13 -22.839 -14.568 -12.163 1.00 0.00 C ATOM 189 O TYR A 13 -21.631 -14.655 -11.939 1.00 0.00 O ATOM 190 CB TYR A 13 -24.224 -13.168 -13.705 1.00 0.00 C ATOM 191 CG TYR A 13 -24.784 -11.807 -14.052 1.00 0.00 C ATOM 192 CD1 TYR A 13 -25.908 -11.311 -13.402 1.00 0.00 C ATOM 193 CD2 TYR A 13 -24.191 -11.018 -15.029 1.00 0.00 C ATOM 194 CE1 TYR A 13 -26.424 -10.069 -13.716 1.00 0.00 C ATOM 195 CE2 TYR A 13 -24.700 -9.774 -15.349 1.00 0.00 C ATOM 196 CZ TYR A 13 -25.816 -9.304 -14.689 1.00 0.00 C ATOM 197 OH TYR A 13 -26.327 -8.065 -15.005 1.00 0.00 O ATOM 0 H TYR A 13 -21.832 -12.134 -13.024 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.233 -13.065 -11.560 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.530 -13.476 -14.487 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -25.037 -13.894 -13.695 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -26.386 -11.907 -12.639 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -23.317 -11.383 -15.548 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -27.299 -9.699 -13.202 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -24.227 -9.173 -16.112 1.00 0.00 H new ATOM 0 HH TYR A 13 -25.782 -7.656 -15.709 1.00 0.00 H new ATOM 207 N ASP A 14 -23.636 -15.627 -12.252 1.00 0.00 N ATOM 208 CA ASP A 14 -23.126 -16.984 -12.089 1.00 0.00 C ATOM 209 C ASP A 14 -22.644 -17.547 -13.422 1.00 0.00 C ATOM 210 O ASP A 14 -23.294 -17.373 -14.453 1.00 0.00 O ATOM 211 CB ASP A 14 -24.208 -17.890 -11.500 1.00 0.00 C ATOM 212 CG ASP A 14 -25.188 -18.379 -12.548 1.00 0.00 C ATOM 213 OD1 ASP A 14 -25.948 -17.546 -13.084 1.00 0.00 O ATOM 214 OD2 ASP A 14 -25.194 -19.595 -12.833 1.00 0.00 O ATOM 0 H ASP A 14 -24.638 -15.572 -12.436 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.280 -16.948 -11.403 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -23.737 -18.747 -11.019 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -24.750 -17.347 -10.725 1.00 0.00 H new ATOM 219 N TYR A 15 -21.499 -18.221 -13.394 1.00 0.00 N ATOM 220 CA TYR A 15 -20.928 -18.807 -14.601 1.00 0.00 C ATOM 221 C TYR A 15 -20.468 -20.239 -14.346 1.00 0.00 C ATOM 222 O TYR A 15 -20.651 -20.775 -13.254 1.00 0.00 O ATOM 223 CB TYR A 15 -19.752 -17.962 -15.095 1.00 0.00 C ATOM 224 CG TYR A 15 -19.679 -17.850 -16.601 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.736 -17.318 -17.330 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.553 -18.276 -17.295 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.673 -17.215 -18.707 1.00 0.00 C ATOM 228 CE2 TYR A 15 -18.481 -18.174 -18.671 1.00 0.00 C ATOM 229 CZ TYR A 15 -19.544 -17.643 -19.372 1.00 0.00 C ATOM 230 OH TYR A 15 -19.477 -17.542 -20.743 1.00 0.00 O ATOM 0 H TYR A 15 -20.949 -18.375 -12.549 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.702 -18.825 -15.368 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -19.829 -16.962 -14.668 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -18.823 -18.396 -14.726 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.621 -16.979 -16.812 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -17.720 -18.694 -16.749 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -21.504 -16.801 -19.259 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.598 -18.508 -19.195 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.614 -17.887 -21.055 1.00 0.00 H new ATOM 240 N GLN A 16 -19.869 -20.851 -15.363 1.00 0.00 N ATOM 241 CA GLN A 16 -19.383 -22.221 -15.250 1.00 0.00 C ATOM 242 C GLN A 16 -18.175 -22.446 -16.154 1.00 0.00 C ATOM 243 O GLN A 16 -17.877 -21.626 -17.021 1.00 0.00 O ATOM 244 CB GLN A 16 -20.494 -23.210 -15.607 1.00 0.00 C ATOM 245 CG GLN A 16 -20.359 -24.554 -14.910 1.00 0.00 C ATOM 246 CD GLN A 16 -21.679 -25.292 -14.805 1.00 0.00 C ATOM 247 OE1 GLN A 16 -21.964 -26.193 -15.595 1.00 0.00 O ATOM 248 NE2 GLN A 16 -22.493 -24.914 -13.827 1.00 0.00 N ATOM 0 H GLN A 16 -19.709 -20.420 -16.273 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.077 -22.387 -14.217 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.457 -22.771 -15.348 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -20.496 -23.368 -16.685 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -19.644 -25.171 -15.454 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -19.952 -24.401 -13.910 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -22.216 -24.163 -13.195 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -23.395 -25.375 -13.707 1.00 0.00 H new ATOM 257 N GLU A 17 -17.485 -23.563 -15.944 1.00 0.00 N ATOM 258 CA GLU A 17 -16.309 -23.894 -16.740 1.00 0.00 C ATOM 259 C GLU A 17 -16.709 -24.322 -18.149 1.00 0.00 C ATOM 260 O GLU A 17 -16.713 -25.510 -18.473 1.00 0.00 O ATOM 261 CB GLU A 17 -15.507 -25.008 -16.066 1.00 0.00 C ATOM 262 CG GLU A 17 -14.467 -24.499 -15.081 1.00 0.00 C ATOM 263 CD GLU A 17 -14.525 -25.218 -13.747 1.00 0.00 C ATOM 264 OE1 GLU A 17 -14.592 -26.465 -13.747 1.00 0.00 O ATOM 265 OE2 GLU A 17 -14.503 -24.533 -12.703 1.00 0.00 O ATOM 0 H GLU A 17 -17.720 -24.253 -15.230 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.688 -23.001 -16.812 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.194 -25.674 -15.544 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.009 -25.601 -16.833 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.473 -24.621 -15.512 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.616 -23.431 -14.921 1.00 0.00 H new ATOM 272 N LYS A 18 -17.046 -23.345 -18.985 1.00 0.00 N ATOM 273 CA LYS A 18 -17.447 -23.617 -20.360 1.00 0.00 C ATOM 274 C LYS A 18 -16.259 -24.096 -21.188 1.00 0.00 C ATOM 275 O LYS A 18 -16.431 -24.749 -22.217 1.00 0.00 O ATOM 276 CB LYS A 18 -18.053 -22.363 -20.994 1.00 0.00 C ATOM 277 CG LYS A 18 -18.910 -22.652 -22.214 1.00 0.00 C ATOM 278 CD LYS A 18 -20.332 -23.018 -21.823 1.00 0.00 C ATOM 279 CE LYS A 18 -21.160 -21.781 -21.512 1.00 0.00 C ATOM 280 NZ LYS A 18 -22.620 -22.042 -21.647 1.00 0.00 N ATOM 0 H LYS A 18 -17.049 -22.357 -18.733 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.198 -24.407 -20.344 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.658 -21.846 -20.249 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.249 -21.685 -21.278 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.924 -21.778 -22.865 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.467 -23.468 -22.786 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -20.801 -23.577 -22.633 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -20.314 -23.673 -20.952 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -20.944 -21.445 -20.498 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -20.872 -20.973 -22.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -23.150 -21.174 -21.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -22.831 -22.339 -22.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -22.900 -22.796 -20.987 1.00 0.00 H new ATOM 294 N SER A 19 -15.055 -23.767 -20.732 1.00 0.00 N ATOM 295 CA SER A 19 -13.838 -24.162 -21.433 1.00 0.00 C ATOM 296 C SER A 19 -12.819 -24.751 -20.462 1.00 0.00 C ATOM 297 O SER A 19 -12.890 -24.550 -19.250 1.00 0.00 O ATOM 298 CB SER A 19 -13.231 -22.961 -22.161 1.00 0.00 C ATOM 299 OG SER A 19 -13.814 -21.748 -21.717 1.00 0.00 O ATOM 0 H SER A 19 -14.896 -23.228 -19.881 1.00 0.00 H new ATOM 0 HA SER A 19 -14.101 -24.926 -22.164 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.155 -22.935 -21.991 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.381 -23.069 -23.235 1.00 0.00 H new ATOM 0 HG SER A 19 -13.164 -21.020 -21.808 1.00 0.00 H new ATOM 305 N PRO A 20 -11.846 -25.496 -21.007 1.00 0.00 N ATOM 306 CA PRO A 20 -10.793 -26.130 -20.209 1.00 0.00 C ATOM 307 C PRO A 20 -9.820 -25.114 -19.622 1.00 0.00 C ATOM 308 O PRO A 20 -9.021 -25.440 -18.744 1.00 0.00 O ATOM 309 CB PRO A 20 -10.079 -27.034 -21.217 1.00 0.00 C ATOM 310 CG PRO A 20 -10.335 -26.401 -22.541 1.00 0.00 C ATOM 311 CD PRO A 20 -11.700 -25.777 -22.445 1.00 0.00 C ATOM 0 HA PRO A 20 -11.199 -26.664 -19.350 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.011 -27.095 -21.007 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.469 -28.051 -21.182 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.578 -25.650 -22.768 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.300 -27.141 -23.341 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.769 -24.867 -23.041 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.477 -26.452 -22.803 1.00 0.00 H new ATOM 319 N ARG A 21 -9.892 -23.880 -20.112 1.00 0.00 N ATOM 320 CA ARG A 21 -9.016 -22.816 -19.636 1.00 0.00 C ATOM 321 C ARG A 21 -9.779 -21.845 -18.740 1.00 0.00 C ATOM 322 O ARG A 21 -9.178 -21.047 -18.022 1.00 0.00 O ATOM 323 CB ARG A 21 -8.404 -22.063 -20.819 1.00 0.00 C ATOM 324 CG ARG A 21 -7.769 -22.973 -21.857 1.00 0.00 C ATOM 325 CD ARG A 21 -7.075 -22.173 -22.949 1.00 0.00 C ATOM 326 NE ARG A 21 -5.948 -21.403 -22.431 1.00 0.00 N ATOM 327 CZ ARG A 21 -4.779 -21.943 -22.101 1.00 0.00 C ATOM 328 NH1 ARG A 21 -4.586 -23.248 -22.235 1.00 0.00 N ATOM 329 NH2 ARG A 21 -3.801 -21.176 -21.636 1.00 0.00 N ATOM 0 H ARG A 21 -10.548 -23.593 -20.838 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.216 -23.271 -19.051 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.179 -21.465 -21.298 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.650 -21.369 -20.447 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.048 -23.632 -21.373 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.534 -23.610 -22.301 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.724 -22.851 -23.727 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.792 -21.497 -23.415 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.064 -20.396 -22.316 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.336 -23.840 -22.592 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.688 -23.659 -21.981 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.946 -20.172 -21.532 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.904 -21.591 -21.383 1.00 0.00 H new ATOM 343 N GLU A 22 -11.105 -21.919 -18.789 1.00 0.00 N ATOM 344 CA GLU A 22 -11.949 -21.045 -17.983 1.00 0.00 C ATOM 345 C GLU A 22 -12.330 -21.718 -16.667 1.00 0.00 C ATOM 346 O GLU A 22 -12.368 -22.945 -16.573 1.00 0.00 O ATOM 347 CB GLU A 22 -13.212 -20.662 -18.757 1.00 0.00 C ATOM 348 CG GLU A 22 -13.067 -19.382 -19.563 1.00 0.00 C ATOM 349 CD GLU A 22 -11.888 -19.422 -20.515 1.00 0.00 C ATOM 350 OE1 GLU A 22 -11.625 -20.499 -21.089 1.00 0.00 O ATOM 351 OE2 GLU A 22 -11.229 -18.375 -20.686 1.00 0.00 O ATOM 0 H GLU A 22 -11.618 -22.575 -19.378 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.382 -20.142 -17.758 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.477 -21.477 -19.430 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.038 -20.548 -18.055 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.981 -19.209 -20.130 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.950 -18.539 -18.882 1.00 0.00 H new ATOM 358 N VAL A 23 -12.610 -20.906 -15.653 1.00 0.00 N ATOM 359 CA VAL A 23 -12.989 -21.422 -14.343 1.00 0.00 C ATOM 360 C VAL A 23 -14.449 -21.114 -14.032 1.00 0.00 C ATOM 361 O VAL A 23 -15.050 -20.222 -14.633 1.00 0.00 O ATOM 362 CB VAL A 23 -12.103 -20.831 -13.230 1.00 0.00 C ATOM 363 CG1 VAL A 23 -10.726 -21.477 -13.244 1.00 0.00 C ATOM 364 CG2 VAL A 23 -11.995 -19.321 -13.380 1.00 0.00 C ATOM 0 H VAL A 23 -12.582 -19.888 -15.713 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.848 -22.502 -14.375 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.568 -21.045 -12.268 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.114 -21.047 -12.451 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.826 -22.550 -13.083 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.250 -21.297 -14.208 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.366 -18.921 -12.585 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.554 -19.082 -14.348 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.988 -18.877 -13.315 1.00 0.00 H new ATOM 374 N THR A 24 -15.018 -21.859 -13.088 1.00 0.00 N ATOM 375 CA THR A 24 -16.408 -21.666 -12.697 1.00 0.00 C ATOM 376 C THR A 24 -16.533 -20.600 -11.616 1.00 0.00 C ATOM 377 O THR A 24 -15.800 -20.616 -10.627 1.00 0.00 O ATOM 378 CB THR A 24 -17.034 -22.977 -12.184 1.00 0.00 C ATOM 379 OG1 THR A 24 -17.007 -23.970 -13.216 1.00 0.00 O ATOM 380 CG2 THR A 24 -18.467 -22.751 -11.729 1.00 0.00 C ATOM 0 H THR A 24 -14.536 -22.601 -12.581 1.00 0.00 H new ATOM 0 HA THR A 24 -16.944 -21.340 -13.588 1.00 0.00 H new ATOM 0 HB THR A 24 -16.449 -23.323 -11.332 1.00 0.00 H new ATOM 0 HG1 THR A 24 -17.405 -24.801 -12.881 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.888 -23.691 -11.371 1.00 0.00 H new ATOM 0 HG22 THR A 24 -18.481 -22.017 -10.923 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.061 -22.383 -12.566 1.00 0.00 H new ATOM 388 N MET A 25 -17.466 -19.673 -11.810 1.00 0.00 N ATOM 389 CA MET A 25 -17.688 -18.599 -10.848 1.00 0.00 C ATOM 390 C MET A 25 -19.164 -18.499 -10.475 1.00 0.00 C ATOM 391 O MET A 25 -20.028 -19.038 -11.168 1.00 0.00 O ATOM 392 CB MET A 25 -17.203 -17.266 -11.420 1.00 0.00 C ATOM 393 CG MET A 25 -17.828 -16.916 -12.761 1.00 0.00 C ATOM 394 SD MET A 25 -17.779 -15.148 -13.110 1.00 0.00 S ATOM 395 CE MET A 25 -17.515 -15.160 -14.881 1.00 0.00 C ATOM 0 H MET A 25 -18.080 -19.644 -12.624 1.00 0.00 H new ATOM 0 HA MET A 25 -17.119 -18.828 -9.947 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.425 -16.472 -10.707 1.00 0.00 H new ATOM 0 HB3 MET A 25 -16.119 -17.301 -11.532 1.00 0.00 H new ATOM 0 HG2 MET A 25 -17.305 -17.453 -13.552 1.00 0.00 H new ATOM 0 HG3 MET A 25 -18.863 -17.257 -12.775 1.00 0.00 H new ATOM 0 HE1 MET A 25 -17.001 -14.246 -15.178 1.00 0.00 H new ATOM 0 HE2 MET A 25 -16.907 -16.023 -15.152 1.00 0.00 H new ATOM 0 HE3 MET A 25 -18.476 -15.218 -15.392 1.00 0.00 H new ATOM 405 N LYS A 26 -19.446 -17.807 -9.377 1.00 0.00 N ATOM 406 CA LYS A 26 -20.817 -17.635 -8.912 1.00 0.00 C ATOM 407 C LYS A 26 -21.093 -16.178 -8.557 1.00 0.00 C ATOM 408 O LYS A 26 -20.243 -15.496 -7.982 1.00 0.00 O ATOM 409 CB LYS A 26 -21.080 -18.526 -7.695 1.00 0.00 C ATOM 410 CG LYS A 26 -22.556 -18.747 -7.411 1.00 0.00 C ATOM 411 CD LYS A 26 -23.102 -17.699 -6.455 1.00 0.00 C ATOM 412 CE LYS A 26 -24.270 -18.240 -5.644 1.00 0.00 C ATOM 413 NZ LYS A 26 -23.815 -19.141 -4.549 1.00 0.00 N ATOM 0 H LYS A 26 -18.743 -17.356 -8.792 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.487 -17.927 -9.721 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -20.600 -19.492 -7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -20.613 -18.077 -6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -23.116 -18.716 -8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -22.701 -19.740 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -22.310 -17.372 -5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -23.423 -16.823 -7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -24.833 -17.409 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -24.949 -18.782 -6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -24.561 -19.833 -4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -22.953 -19.641 -4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -23.612 -18.578 -3.698 1.00 0.00 H new ATOM 427 N LYS A 27 -22.286 -15.705 -8.901 1.00 0.00 N ATOM 428 CA LYS A 27 -22.675 -14.329 -8.617 1.00 0.00 C ATOM 429 C LYS A 27 -22.447 -13.992 -7.147 1.00 0.00 C ATOM 430 O LYS A 27 -22.957 -14.672 -6.258 1.00 0.00 O ATOM 431 CB LYS A 27 -24.145 -14.108 -8.980 1.00 0.00 C ATOM 432 CG LYS A 27 -25.106 -14.971 -8.181 1.00 0.00 C ATOM 433 CD LYS A 27 -26.529 -14.846 -8.697 1.00 0.00 C ATOM 434 CE LYS A 27 -27.327 -16.117 -8.446 1.00 0.00 C ATOM 435 NZ LYS A 27 -28.687 -16.046 -9.047 1.00 0.00 N ATOM 0 H LYS A 27 -23.001 -16.255 -9.377 1.00 0.00 H new ATOM 0 HA LYS A 27 -22.054 -13.669 -9.223 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.395 -13.059 -8.823 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.283 -14.313 -10.042 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.790 -16.013 -8.233 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -25.072 -14.679 -7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -27.021 -14.004 -8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.512 -14.631 -9.765 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -26.791 -16.970 -8.861 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -27.413 -16.286 -7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -29.198 -16.931 -8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -29.208 -15.247 -8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -28.606 -15.910 -10.075 1.00 0.00 H new ATOM 449 N GLY A 28 -21.679 -12.935 -6.899 1.00 0.00 N ATOM 450 CA GLY A 28 -21.399 -12.526 -5.535 1.00 0.00 C ATOM 451 C GLY A 28 -20.143 -13.170 -4.982 1.00 0.00 C ATOM 452 O GLY A 28 -19.824 -13.013 -3.804 1.00 0.00 O ATOM 0 H GLY A 28 -21.246 -12.355 -7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.294 -11.442 -5.499 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -22.246 -12.785 -4.900 1.00 0.00 H new ATOM 456 N ASP A 29 -19.431 -13.899 -5.834 1.00 0.00 N ATOM 457 CA ASP A 29 -18.203 -14.571 -5.424 1.00 0.00 C ATOM 458 C ASP A 29 -16.977 -13.761 -5.835 1.00 0.00 C ATOM 459 O ASP A 29 -16.868 -13.320 -6.979 1.00 0.00 O ATOM 460 CB ASP A 29 -18.134 -15.971 -6.036 1.00 0.00 C ATOM 461 CG ASP A 29 -17.167 -16.878 -5.300 1.00 0.00 C ATOM 462 OD1 ASP A 29 -16.164 -16.364 -4.763 1.00 0.00 O ATOM 463 OD2 ASP A 29 -17.413 -18.102 -5.262 1.00 0.00 O ATOM 0 H ASP A 29 -19.683 -14.040 -6.812 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.211 -14.658 -4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -19.128 -16.419 -6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.831 -15.893 -7.080 1.00 0.00 H new ATOM 468 N ILE A 30 -16.059 -13.569 -4.894 1.00 0.00 N ATOM 469 CA ILE A 30 -14.842 -12.812 -5.158 1.00 0.00 C ATOM 470 C ILE A 30 -13.652 -13.742 -5.373 1.00 0.00 C ATOM 471 O ILE A 30 -13.462 -14.707 -4.632 1.00 0.00 O ATOM 472 CB ILE A 30 -14.519 -11.843 -4.005 1.00 0.00 C ATOM 473 CG1 ILE A 30 -15.717 -10.933 -3.726 1.00 0.00 C ATOM 474 CG2 ILE A 30 -13.285 -11.018 -4.337 1.00 0.00 C ATOM 475 CD1 ILE A 30 -15.566 -10.105 -2.469 1.00 0.00 C ATOM 0 H ILE A 30 -16.135 -13.927 -3.942 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.020 -12.236 -6.066 1.00 0.00 H new ATOM 0 HB ILE A 30 -14.311 -12.425 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -15.862 -10.266 -4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.616 -11.544 -3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.069 -10.338 -3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.434 -11.682 -4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.466 -10.442 -5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.452 -9.484 -2.334 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.451 -10.766 -1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.686 -9.468 -2.557 1.00 0.00 H new ATOM 487 N LEU A 31 -12.852 -13.445 -6.391 1.00 0.00 N ATOM 488 CA LEU A 31 -11.679 -14.253 -6.704 1.00 0.00 C ATOM 489 C LEU A 31 -10.421 -13.391 -6.749 1.00 0.00 C ATOM 490 O LEU A 31 -10.496 -12.162 -6.741 1.00 0.00 O ATOM 491 CB LEU A 31 -11.869 -14.967 -8.043 1.00 0.00 C ATOM 492 CG LEU A 31 -13.250 -15.577 -8.288 1.00 0.00 C ATOM 493 CD1 LEU A 31 -13.247 -16.409 -9.561 1.00 0.00 C ATOM 494 CD2 LEU A 31 -13.678 -16.423 -7.097 1.00 0.00 C ATOM 0 H LEU A 31 -12.994 -12.650 -7.014 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.560 -14.997 -5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.660 -14.257 -8.843 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.125 -15.760 -8.118 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.968 -14.766 -8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.238 -16.835 -9.719 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.984 -15.776 -10.409 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.517 -17.213 -9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.663 -16.849 -7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.958 -17.227 -6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.720 -15.799 -6.204 1.00 0.00 H new ATOM 506 N THR A 32 -9.264 -14.044 -6.798 1.00 0.00 N ATOM 507 CA THR A 32 -7.989 -13.339 -6.845 1.00 0.00 C ATOM 508 C THR A 32 -7.626 -12.955 -8.275 1.00 0.00 C ATOM 509 O THR A 32 -7.551 -13.810 -9.158 1.00 0.00 O ATOM 510 CB THR A 32 -6.853 -14.192 -6.250 1.00 0.00 C ATOM 511 OG1 THR A 32 -7.375 -15.079 -5.255 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.778 -13.308 -5.635 1.00 0.00 C ATOM 0 H THR A 32 -9.184 -15.061 -6.806 1.00 0.00 H new ATOM 0 HA THR A 32 -8.105 -12.435 -6.247 1.00 0.00 H new ATOM 0 HB THR A 32 -6.406 -14.774 -7.056 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.646 -15.619 -4.883 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.986 -13.932 -5.221 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.362 -12.655 -6.402 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.215 -12.703 -4.841 1.00 0.00 H new ATOM 520 N LEU A 33 -7.402 -11.664 -8.497 1.00 0.00 N ATOM 521 CA LEU A 33 -7.045 -11.166 -9.821 1.00 0.00 C ATOM 522 C LEU A 33 -5.644 -11.622 -10.215 1.00 0.00 C ATOM 523 O LEU A 33 -4.685 -11.437 -9.465 1.00 0.00 O ATOM 524 CB LEU A 33 -7.124 -9.639 -9.851 1.00 0.00 C ATOM 525 CG LEU A 33 -7.463 -9.011 -11.203 1.00 0.00 C ATOM 526 CD1 LEU A 33 -7.510 -7.495 -11.091 1.00 0.00 C ATOM 527 CD2 LEU A 33 -6.454 -9.439 -12.258 1.00 0.00 C ATOM 0 H LEU A 33 -7.461 -10.944 -7.777 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.755 -11.575 -10.540 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.873 -9.320 -9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.167 -9.239 -9.517 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.449 -9.363 -11.508 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.753 -7.066 -12.063 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.272 -7.207 -10.367 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.539 -7.124 -10.763 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.711 -8.982 -13.214 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.456 -9.117 -11.959 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.471 -10.524 -12.358 1.00 0.00 H new ATOM 539 N LEU A 34 -5.533 -12.218 -11.397 1.00 0.00 N ATOM 540 CA LEU A 34 -4.248 -12.699 -11.894 1.00 0.00 C ATOM 541 C LEU A 34 -3.852 -11.971 -13.175 1.00 0.00 C ATOM 542 O LEU A 34 -2.698 -11.584 -13.348 1.00 0.00 O ATOM 543 CB LEU A 34 -4.309 -14.206 -12.147 1.00 0.00 C ATOM 544 CG LEU A 34 -3.779 -15.098 -11.024 1.00 0.00 C ATOM 545 CD1 LEU A 34 -2.267 -14.980 -10.917 1.00 0.00 C ATOM 546 CD2 LEU A 34 -4.439 -14.737 -9.701 1.00 0.00 C ATOM 0 H LEU A 34 -6.317 -12.380 -12.029 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.493 -12.495 -11.135 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.346 -14.480 -12.342 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.746 -14.425 -13.054 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.026 -16.133 -11.260 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.908 -15.622 -10.112 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.811 -15.288 -11.858 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.997 -13.946 -10.704 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.050 -15.382 -8.913 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.223 -13.697 -9.459 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.517 -14.874 -9.783 1.00 0.00 H new ATOM 558 N ASN A 35 -4.819 -11.788 -14.068 1.00 0.00 N ATOM 559 CA ASN A 35 -4.572 -11.106 -15.333 1.00 0.00 C ATOM 560 C ASN A 35 -5.732 -10.181 -15.688 1.00 0.00 C ATOM 561 O ASN A 35 -6.889 -10.599 -15.707 1.00 0.00 O ATOM 562 CB ASN A 35 -4.357 -12.126 -16.453 1.00 0.00 C ATOM 563 CG ASN A 35 -3.563 -11.553 -17.612 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.224 -10.759 -18.446 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -2.370 -11.822 -17.754 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.781 -12.102 -13.939 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.671 -10.503 -15.222 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.835 -12.996 -16.054 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.325 -12.473 -16.815 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.903 -12.437 -17.088 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.848 -11.430 -18.538 1.00 0.00 H new ATOM 572 N SER A 36 -5.413 -8.921 -15.968 1.00 0.00 N ATOM 573 CA SER A 36 -6.428 -7.935 -16.319 1.00 0.00 C ATOM 574 C SER A 36 -5.989 -7.109 -17.525 1.00 0.00 C ATOM 575 O SER A 36 -6.406 -5.962 -17.692 1.00 0.00 O ATOM 576 CB SER A 36 -6.707 -7.014 -15.130 1.00 0.00 C ATOM 577 OG SER A 36 -5.528 -6.775 -14.382 1.00 0.00 O ATOM 0 H SER A 36 -4.459 -8.559 -15.958 1.00 0.00 H new ATOM 0 HA SER A 36 -7.343 -8.468 -16.579 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.113 -6.067 -15.487 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.464 -7.464 -14.488 1.00 0.00 H new ATOM 0 HG SER A 36 -5.733 -6.182 -13.629 1.00 0.00 H new ATOM 583 N THR A 37 -5.144 -7.700 -18.364 1.00 0.00 N ATOM 584 CA THR A 37 -4.647 -7.021 -19.553 1.00 0.00 C ATOM 585 C THR A 37 -5.491 -7.364 -20.775 1.00 0.00 C ATOM 586 O THR A 37 -5.019 -7.283 -21.909 1.00 0.00 O ATOM 587 CB THR A 37 -3.178 -7.388 -19.837 1.00 0.00 C ATOM 588 OG1 THR A 37 -3.087 -8.755 -20.253 1.00 0.00 O ATOM 589 CG2 THR A 37 -2.317 -7.169 -18.602 1.00 0.00 C ATOM 0 H THR A 37 -4.790 -8.649 -18.241 1.00 0.00 H new ATOM 0 HA THR A 37 -4.715 -5.951 -19.357 1.00 0.00 H new ATOM 0 HB THR A 37 -2.812 -6.741 -20.634 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.482 -9.333 -19.567 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.284 -7.435 -18.827 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.366 -6.121 -18.306 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.683 -7.794 -17.788 1.00 0.00 H new ATOM 597 N ASN A 38 -6.741 -7.747 -20.537 1.00 0.00 N ATOM 598 CA ASN A 38 -7.651 -8.103 -21.620 1.00 0.00 C ATOM 599 C ASN A 38 -9.095 -7.785 -21.244 1.00 0.00 C ATOM 600 O ASN A 38 -9.743 -8.546 -20.525 1.00 0.00 O ATOM 601 CB ASN A 38 -7.515 -9.588 -21.961 1.00 0.00 C ATOM 602 CG ASN A 38 -7.332 -9.826 -23.447 1.00 0.00 C ATOM 603 OD1 ASN A 38 -6.350 -10.435 -23.873 1.00 0.00 O ATOM 604 ND2 ASN A 38 -8.280 -9.346 -24.244 1.00 0.00 N ATOM 0 H ASN A 38 -7.147 -7.819 -19.604 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.384 -7.511 -22.495 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.665 -10.005 -21.422 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.402 -10.120 -21.617 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.212 -9.476 -25.253 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.076 -8.848 -23.847 1.00 0.00 H new ATOM 611 N LYS A 39 -9.594 -6.656 -21.735 1.00 0.00 N ATOM 612 CA LYS A 39 -10.961 -6.237 -21.454 1.00 0.00 C ATOM 613 C LYS A 39 -11.946 -7.366 -21.741 1.00 0.00 C ATOM 614 O LYS A 39 -13.003 -7.454 -21.116 1.00 0.00 O ATOM 615 CB LYS A 39 -11.322 -5.006 -22.289 1.00 0.00 C ATOM 616 CG LYS A 39 -11.243 -5.244 -23.787 1.00 0.00 C ATOM 617 CD LYS A 39 -11.152 -3.936 -24.555 1.00 0.00 C ATOM 618 CE LYS A 39 -12.473 -3.182 -24.531 1.00 0.00 C ATOM 619 NZ LYS A 39 -12.507 -2.091 -25.543 1.00 0.00 N ATOM 0 H LYS A 39 -9.071 -6.014 -22.330 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.026 -5.982 -20.396 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.332 -4.687 -22.033 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -10.652 -4.188 -22.024 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.373 -5.861 -24.013 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.122 -5.799 -24.115 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.369 -3.313 -24.123 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.866 -4.138 -25.587 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.291 -3.877 -24.719 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.633 -2.762 -23.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.423 -1.601 -25.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.742 -1.414 -25.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.380 -2.495 -26.493 1.00 0.00 H new ATOM 633 N ASP A 40 -11.592 -8.227 -22.689 1.00 0.00 N ATOM 634 CA ASP A 40 -12.444 -9.352 -23.057 1.00 0.00 C ATOM 635 C ASP A 40 -12.583 -10.331 -21.895 1.00 0.00 C ATOM 636 O ASP A 40 -13.630 -10.400 -21.251 1.00 0.00 O ATOM 637 CB ASP A 40 -11.874 -10.071 -24.280 1.00 0.00 C ATOM 638 CG ASP A 40 -11.856 -9.190 -25.513 1.00 0.00 C ATOM 639 OD1 ASP A 40 -12.778 -8.362 -25.665 1.00 0.00 O ATOM 640 OD2 ASP A 40 -10.919 -9.328 -26.328 1.00 0.00 O ATOM 0 H ASP A 40 -10.721 -8.167 -23.216 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.433 -8.963 -23.301 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.860 -10.406 -24.061 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.467 -10.963 -24.483 1.00 0.00 H new ATOM 645 N TRP A 41 -11.522 -11.086 -21.634 1.00 0.00 N ATOM 646 CA TRP A 41 -11.527 -12.062 -20.550 1.00 0.00 C ATOM 647 C TRP A 41 -10.469 -11.721 -19.506 1.00 0.00 C ATOM 648 O TRP A 41 -9.434 -11.138 -19.826 1.00 0.00 O ATOM 649 CB TRP A 41 -11.283 -13.468 -21.101 1.00 0.00 C ATOM 650 CG TRP A 41 -12.118 -13.788 -22.304 1.00 0.00 C ATOM 651 CD1 TRP A 41 -11.890 -13.387 -23.590 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.314 -14.573 -22.332 1.00 0.00 C ATOM 653 NE1 TRP A 41 -12.874 -13.876 -24.416 1.00 0.00 N ATOM 654 CE2 TRP A 41 -13.759 -14.608 -23.669 1.00 0.00 C ATOM 655 CE3 TRP A 41 -14.052 -15.253 -21.360 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.908 -15.294 -24.053 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.193 -15.933 -21.743 1.00 0.00 C ATOM 658 CH2 TRP A 41 -15.611 -15.950 -23.080 1.00 0.00 C ATOM 0 H TRP A 41 -10.648 -11.041 -22.158 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.506 -12.032 -20.072 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.229 -13.571 -21.361 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.491 -14.198 -20.319 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.059 -12.776 -23.910 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -12.935 -13.719 -25.422 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.737 -15.248 -20.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.233 -15.308 -25.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.772 -16.460 -20.999 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.506 -16.492 -23.348 1.00 0.00 H new ATOM 669 N TRP A 42 -10.736 -12.089 -18.258 1.00 0.00 N ATOM 670 CA TRP A 42 -9.806 -11.821 -17.167 1.00 0.00 C ATOM 671 C TRP A 42 -9.415 -13.112 -16.456 1.00 0.00 C ATOM 672 O TRP A 42 -10.231 -14.022 -16.305 1.00 0.00 O ATOM 673 CB TRP A 42 -10.427 -10.843 -16.169 1.00 0.00 C ATOM 674 CG TRP A 42 -10.417 -9.422 -16.646 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.684 -8.908 -17.677 1.00 0.00 C ATOM 676 CD2 TRP A 42 -11.175 -8.333 -16.108 1.00 0.00 C ATOM 677 NE1 TRP A 42 -9.940 -7.565 -17.813 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.852 -7.188 -16.863 1.00 0.00 C ATOM 679 CE3 TRP A 42 -12.096 -8.213 -15.064 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -11.418 -5.942 -16.604 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.656 -6.976 -14.809 1.00 0.00 C ATOM 682 CH2 TRP A 42 -12.316 -5.854 -15.576 1.00 0.00 C ATOM 0 H TRP A 42 -11.588 -12.573 -17.977 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.906 -11.374 -17.591 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.455 -11.144 -15.968 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.886 -10.906 -15.225 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -9.003 -9.474 -18.295 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.519 -6.949 -18.508 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.365 -9.072 -14.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.157 -5.076 -17.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.369 -6.872 -14.004 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.772 -4.901 -15.351 1.00 0.00 H new ATOM 693 N LYS A 43 -8.162 -13.187 -16.021 1.00 0.00 N ATOM 694 CA LYS A 43 -7.662 -14.366 -15.325 1.00 0.00 C ATOM 695 C LYS A 43 -7.796 -14.203 -13.814 1.00 0.00 C ATOM 696 O LYS A 43 -7.288 -13.242 -13.236 1.00 0.00 O ATOM 697 CB LYS A 43 -6.199 -14.620 -15.693 1.00 0.00 C ATOM 698 CG LYS A 43 -5.783 -16.075 -15.566 1.00 0.00 C ATOM 699 CD LYS A 43 -4.408 -16.317 -16.166 1.00 0.00 C ATOM 700 CE LYS A 43 -3.301 -15.905 -15.208 1.00 0.00 C ATOM 701 NZ LYS A 43 -3.326 -16.707 -13.954 1.00 0.00 N ATOM 0 H LYS A 43 -7.473 -12.444 -16.139 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.262 -15.222 -15.636 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.029 -14.290 -16.718 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.561 -14.011 -15.052 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.778 -16.362 -14.515 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.516 -16.709 -16.066 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.300 -17.372 -16.416 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.312 -15.757 -17.096 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.334 -16.025 -15.697 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.406 -14.848 -14.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.464 -16.518 -13.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.160 -16.445 -13.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.371 -17.719 -14.190 1.00 0.00 H new ATOM 715 N VAL A 44 -8.482 -15.149 -13.180 1.00 0.00 N ATOM 716 CA VAL A 44 -8.680 -15.111 -11.736 1.00 0.00 C ATOM 717 C VAL A 44 -8.232 -16.415 -11.085 1.00 0.00 C ATOM 718 O VAL A 44 -7.947 -17.396 -11.771 1.00 0.00 O ATOM 719 CB VAL A 44 -10.156 -14.853 -11.378 1.00 0.00 C ATOM 720 CG1 VAL A 44 -10.601 -13.493 -11.894 1.00 0.00 C ATOM 721 CG2 VAL A 44 -11.040 -15.959 -11.935 1.00 0.00 C ATOM 0 H VAL A 44 -8.910 -15.951 -13.644 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.072 -14.290 -11.355 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.254 -14.853 -10.292 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.646 -13.328 -11.632 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.987 -12.714 -11.443 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.490 -13.461 -12.978 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.079 -15.761 -11.673 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.940 -15.993 -13.020 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.735 -16.916 -11.512 1.00 0.00 H new ATOM 731 N GLU A 45 -8.171 -16.417 -9.757 1.00 0.00 N ATOM 732 CA GLU A 45 -7.757 -17.601 -9.014 1.00 0.00 C ATOM 733 C GLU A 45 -8.742 -17.912 -7.891 1.00 0.00 C ATOM 734 O GLU A 45 -9.273 -17.007 -7.247 1.00 0.00 O ATOM 735 CB GLU A 45 -6.354 -17.402 -8.435 1.00 0.00 C ATOM 736 CG GLU A 45 -5.736 -18.677 -7.885 1.00 0.00 C ATOM 737 CD GLU A 45 -4.226 -18.594 -7.778 1.00 0.00 C ATOM 738 OE1 GLU A 45 -3.625 -17.771 -8.500 1.00 0.00 O ATOM 739 OE2 GLU A 45 -3.646 -19.351 -6.972 1.00 0.00 O ATOM 0 H GLU A 45 -8.403 -15.613 -9.174 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.742 -18.444 -9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.704 -16.998 -9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.400 -16.658 -7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.155 -18.884 -6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.005 -19.514 -8.529 1.00 0.00 H new ATOM 746 N VAL A 46 -8.984 -19.199 -7.663 1.00 0.00 N ATOM 747 CA VAL A 46 -9.905 -19.631 -6.618 1.00 0.00 C ATOM 748 C VAL A 46 -9.345 -20.822 -5.849 1.00 0.00 C ATOM 749 O VAL A 46 -8.323 -21.395 -6.228 1.00 0.00 O ATOM 750 CB VAL A 46 -11.278 -20.011 -7.203 1.00 0.00 C ATOM 751 CG1 VAL A 46 -11.845 -18.863 -8.024 1.00 0.00 C ATOM 752 CG2 VAL A 46 -11.168 -21.275 -8.043 1.00 0.00 C ATOM 0 H VAL A 46 -8.555 -19.961 -8.188 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.029 -18.789 -5.937 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.963 -20.209 -6.378 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.815 -19.150 -8.429 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.962 -17.985 -7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.164 -18.630 -8.843 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.147 -21.529 -8.448 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.468 -21.108 -8.862 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.809 -22.095 -7.421 1.00 0.00 H new ATOM 762 N LYS A 47 -10.021 -21.191 -4.767 1.00 0.00 N ATOM 763 CA LYS A 47 -9.593 -22.316 -3.944 1.00 0.00 C ATOM 764 C LYS A 47 -10.627 -23.437 -3.974 1.00 0.00 C ATOM 765 O LYS A 47 -11.823 -23.187 -4.124 1.00 0.00 O ATOM 766 CB LYS A 47 -9.362 -21.860 -2.501 1.00 0.00 C ATOM 767 CG LYS A 47 -7.997 -21.236 -2.272 1.00 0.00 C ATOM 768 CD LYS A 47 -8.031 -20.218 -1.144 1.00 0.00 C ATOM 769 CE LYS A 47 -7.826 -20.879 0.210 1.00 0.00 C ATOM 770 NZ LYS A 47 -7.642 -19.875 1.295 1.00 0.00 N ATOM 0 H LYS A 47 -10.868 -20.727 -4.439 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.657 -22.697 -4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.132 -21.138 -2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.477 -22.716 -1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.274 -22.017 -2.037 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.658 -20.753 -3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.256 -19.469 -1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.987 -19.695 -1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.685 -21.509 0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.954 -21.532 0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.505 -20.365 2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.807 -19.290 1.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.485 -19.268 1.353 1.00 0.00 H new ATOM 784 N ALA A 48 -10.158 -24.672 -3.830 1.00 0.00 N ATOM 785 CA ALA A 48 -11.043 -25.830 -3.838 1.00 0.00 C ATOM 786 C ALA A 48 -11.231 -26.387 -2.431 1.00 0.00 C ATOM 787 O ALA A 48 -10.598 -25.927 -1.480 1.00 0.00 O ATOM 788 CB ALA A 48 -10.496 -26.906 -4.765 1.00 0.00 C ATOM 0 H ALA A 48 -9.171 -24.896 -3.706 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.017 -25.509 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.167 -27.765 -4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.420 -26.510 -5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.509 -27.215 -4.421 1.00 0.00 H new ATOM 794 N THR A 49 -12.105 -27.381 -2.304 1.00 0.00 N ATOM 795 CA THR A 49 -12.377 -27.999 -1.013 1.00 0.00 C ATOM 796 C THR A 49 -12.698 -29.482 -1.170 1.00 0.00 C ATOM 797 O THR A 49 -13.559 -29.859 -1.964 1.00 0.00 O ATOM 798 CB THR A 49 -13.550 -27.306 -0.294 1.00 0.00 C ATOM 799 OG1 THR A 49 -13.495 -25.893 -0.519 1.00 0.00 O ATOM 800 CG2 THR A 49 -13.511 -27.588 1.201 1.00 0.00 C ATOM 0 H THR A 49 -12.636 -27.775 -3.080 1.00 0.00 H new ATOM 0 HA THR A 49 -11.474 -27.886 -0.413 1.00 0.00 H new ATOM 0 HB THR A 49 -14.481 -27.703 -0.698 1.00 0.00 H new ATOM 0 HG1 THR A 49 -14.245 -25.459 -0.060 1.00 0.00 H new ATOM 0 HG21 THR A 49 -14.349 -27.088 1.687 1.00 0.00 H new ATOM 0 HG22 THR A 49 -13.581 -28.662 1.371 1.00 0.00 H new ATOM 0 HG23 THR A 49 -12.575 -27.215 1.617 1.00 0.00 H new ATOM 808 N ALA A 50 -12.000 -30.317 -0.407 1.00 0.00 N ATOM 809 CA ALA A 50 -12.213 -31.758 -0.460 1.00 0.00 C ATOM 810 C ALA A 50 -11.398 -32.473 0.613 1.00 0.00 C ATOM 811 O ALA A 50 -10.244 -32.127 0.863 1.00 0.00 O ATOM 812 CB ALA A 50 -11.858 -32.294 -1.839 1.00 0.00 C ATOM 0 H ALA A 50 -11.283 -30.020 0.255 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.268 -31.952 -0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.022 -33.371 -1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.487 -31.814 -2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -10.811 -32.081 -2.053 1.00 0.00 H new ATOM 818 N ASN A 51 -12.007 -33.471 1.245 1.00 0.00 N ATOM 819 CA ASN A 51 -11.338 -34.234 2.292 1.00 0.00 C ATOM 820 C ASN A 51 -10.769 -33.306 3.361 1.00 0.00 C ATOM 821 O ASN A 51 -9.645 -33.495 3.827 1.00 0.00 O ATOM 822 CB ASN A 51 -10.219 -35.088 1.694 1.00 0.00 C ATOM 823 CG ASN A 51 -10.672 -35.861 0.470 1.00 0.00 C ATOM 824 OD1 ASN A 51 -11.305 -36.911 0.585 1.00 0.00 O ATOM 825 ND2 ASN A 51 -10.349 -35.343 -0.709 1.00 0.00 N ATOM 0 H ASN A 51 -12.963 -33.770 1.050 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.075 -34.888 2.758 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.380 -34.446 1.425 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.857 -35.787 2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.627 -35.818 -1.568 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.823 -34.470 -0.756 1.00 0.00 H new ATOM 832 N ASP A 52 -11.553 -32.305 3.746 1.00 0.00 N ATOM 833 CA ASP A 52 -11.128 -31.349 4.762 1.00 0.00 C ATOM 834 C ASP A 52 -9.835 -30.654 4.348 1.00 0.00 C ATOM 835 O ASP A 52 -9.064 -30.198 5.193 1.00 0.00 O ATOM 836 CB ASP A 52 -10.936 -32.052 6.107 1.00 0.00 C ATOM 837 CG ASP A 52 -12.241 -32.571 6.680 1.00 0.00 C ATOM 838 OD1 ASP A 52 -12.882 -33.417 6.024 1.00 0.00 O ATOM 839 OD2 ASP A 52 -12.620 -32.129 7.785 1.00 0.00 O ATOM 0 H ASP A 52 -12.486 -32.135 3.370 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.908 -30.595 4.864 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.241 -32.882 5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.482 -31.358 6.815 1.00 0.00 H new ATOM 844 N LYS A 53 -9.602 -30.578 3.042 1.00 0.00 N ATOM 845 CA LYS A 53 -8.402 -29.940 2.514 1.00 0.00 C ATOM 846 C LYS A 53 -8.760 -28.896 1.461 1.00 0.00 C ATOM 847 O LYS A 53 -9.811 -28.976 0.824 1.00 0.00 O ATOM 848 CB LYS A 53 -7.465 -30.988 1.910 1.00 0.00 C ATOM 849 CG LYS A 53 -6.488 -31.579 2.912 1.00 0.00 C ATOM 850 CD LYS A 53 -5.509 -32.529 2.242 1.00 0.00 C ATOM 851 CE LYS A 53 -5.039 -33.613 3.200 1.00 0.00 C ATOM 852 NZ LYS A 53 -5.954 -34.788 3.199 1.00 0.00 N ATOM 0 H LYS A 53 -10.229 -30.951 2.329 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.894 -29.440 3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.062 -31.792 1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.904 -30.534 1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.939 -30.776 3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.038 -32.110 3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.983 -32.989 1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.649 -31.968 1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.035 -33.934 2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.974 -33.204 4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.600 -35.505 3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.906 -34.487 3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.996 -35.194 2.243 1.00 0.00 H new ATOM 866 N THR A 54 -7.878 -27.917 1.281 1.00 0.00 N ATOM 867 CA THR A 54 -8.101 -26.858 0.305 1.00 0.00 C ATOM 868 C THR A 54 -7.050 -26.897 -0.799 1.00 0.00 C ATOM 869 O THR A 54 -5.867 -27.116 -0.535 1.00 0.00 O ATOM 870 CB THR A 54 -8.080 -25.469 0.969 1.00 0.00 C ATOM 871 OG1 THR A 54 -8.849 -25.491 2.177 1.00 0.00 O ATOM 872 CG2 THR A 54 -8.636 -24.411 0.028 1.00 0.00 C ATOM 0 H THR A 54 -7.003 -27.836 1.799 1.00 0.00 H new ATOM 0 HA THR A 54 -9.086 -27.030 -0.129 1.00 0.00 H new ATOM 0 HB THR A 54 -7.045 -25.218 1.202 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.829 -24.604 2.594 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.611 -23.438 0.519 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.031 -24.376 -0.878 1.00 0.00 H new ATOM 0 HG23 THR A 54 -9.665 -24.660 -0.232 1.00 0.00 H new ATOM 880 N TYR A 55 -7.488 -26.683 -2.034 1.00 0.00 N ATOM 881 CA TYR A 55 -6.584 -26.696 -3.178 1.00 0.00 C ATOM 882 C TYR A 55 -6.570 -25.340 -3.877 1.00 0.00 C ATOM 883 O TYR A 55 -7.248 -24.405 -3.453 1.00 0.00 O ATOM 884 CB TYR A 55 -6.995 -27.788 -4.168 1.00 0.00 C ATOM 885 CG TYR A 55 -6.965 -29.180 -3.580 1.00 0.00 C ATOM 886 CD1 TYR A 55 -5.766 -29.870 -3.440 1.00 0.00 C ATOM 887 CD2 TYR A 55 -8.133 -29.807 -3.167 1.00 0.00 C ATOM 888 CE1 TYR A 55 -5.733 -31.143 -2.904 1.00 0.00 C ATOM 889 CE2 TYR A 55 -8.110 -31.080 -2.629 1.00 0.00 C ATOM 890 CZ TYR A 55 -6.907 -31.743 -2.500 1.00 0.00 C ATOM 891 OH TYR A 55 -6.879 -33.011 -1.966 1.00 0.00 O ATOM 0 H TYR A 55 -8.463 -26.498 -2.269 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.579 -26.906 -2.812 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.001 -27.578 -4.531 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.331 -27.753 -5.031 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.845 -29.403 -3.756 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.076 -29.291 -3.268 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.793 -31.665 -2.802 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.028 -31.553 -2.312 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.790 -33.287 -1.732 1.00 0.00 H new ATOM 901 N GLU A 56 -5.793 -25.242 -4.951 1.00 0.00 N ATOM 902 CA GLU A 56 -5.690 -24.001 -5.709 1.00 0.00 C ATOM 903 C GLU A 56 -5.965 -24.243 -7.190 1.00 0.00 C ATOM 904 O GLU A 56 -5.472 -25.209 -7.773 1.00 0.00 O ATOM 905 CB GLU A 56 -4.302 -23.382 -5.531 1.00 0.00 C ATOM 906 CG GLU A 56 -3.165 -24.372 -5.720 1.00 0.00 C ATOM 907 CD GLU A 56 -1.817 -23.693 -5.865 1.00 0.00 C ATOM 908 OE1 GLU A 56 -1.615 -22.635 -5.233 1.00 0.00 O ATOM 909 OE2 GLU A 56 -0.965 -24.220 -6.610 1.00 0.00 O ATOM 0 H GLU A 56 -5.226 -26.007 -5.316 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.440 -23.309 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.184 -22.565 -6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.232 -22.948 -4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.135 -25.052 -4.869 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.359 -24.978 -6.605 1.00 0.00 H new ATOM 916 N ARG A 57 -6.755 -23.360 -7.791 1.00 0.00 N ATOM 917 CA ARG A 57 -7.097 -23.478 -9.204 1.00 0.00 C ATOM 918 C ARG A 57 -7.339 -22.104 -9.821 1.00 0.00 C ATOM 919 O ARG A 57 -8.263 -21.391 -9.429 1.00 0.00 O ATOM 920 CB ARG A 57 -8.340 -24.354 -9.377 1.00 0.00 C ATOM 921 CG ARG A 57 -8.849 -24.411 -10.808 1.00 0.00 C ATOM 922 CD ARG A 57 -9.642 -25.682 -11.067 1.00 0.00 C ATOM 923 NE ARG A 57 -10.671 -25.901 -10.054 1.00 0.00 N ATOM 924 CZ ARG A 57 -11.814 -25.225 -10.009 1.00 0.00 C ATOM 925 NH1 ARG A 57 -12.072 -24.292 -10.915 1.00 0.00 N ATOM 926 NH2 ARG A 57 -12.700 -25.482 -9.056 1.00 0.00 N ATOM 0 H ARG A 57 -7.170 -22.555 -7.322 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.257 -23.945 -9.719 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.111 -25.365 -9.041 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.134 -23.976 -8.733 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.477 -23.542 -11.007 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.006 -24.360 -11.497 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.108 -25.624 -12.051 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.964 -26.535 -11.085 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.503 -26.612 -9.342 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.392 -24.092 -11.649 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.950 -23.774 -10.878 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.504 -26.199 -8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.577 -24.963 -9.022 1.00 0.00 H new ATOM 940 N GLN A 58 -6.503 -21.740 -10.788 1.00 0.00 N ATOM 941 CA GLN A 58 -6.626 -20.451 -11.459 1.00 0.00 C ATOM 942 C GLN A 58 -6.955 -20.636 -12.937 1.00 0.00 C ATOM 943 O GLN A 58 -6.446 -21.547 -13.587 1.00 0.00 O ATOM 944 CB GLN A 58 -5.333 -19.649 -11.308 1.00 0.00 C ATOM 945 CG GLN A 58 -4.196 -20.157 -12.180 1.00 0.00 C ATOM 946 CD GLN A 58 -2.835 -19.712 -11.683 1.00 0.00 C ATOM 947 OE1 GLN A 58 -2.040 -19.148 -12.435 1.00 0.00 O ATOM 948 NE2 GLN A 58 -2.559 -19.965 -10.409 1.00 0.00 N ATOM 0 H GLN A 58 -5.734 -22.319 -11.124 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.442 -19.902 -10.990 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.531 -18.606 -11.555 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.019 -19.675 -10.265 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.228 -21.246 -12.214 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.340 -19.802 -13.201 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.248 -20.435 -9.822 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.658 -19.689 -10.018 1.00 0.00 H new ATOM 957 N GLY A 59 -7.810 -19.763 -13.461 1.00 0.00 N ATOM 958 CA GLY A 59 -8.193 -19.847 -14.858 1.00 0.00 C ATOM 959 C GLY A 59 -8.639 -18.512 -15.419 1.00 0.00 C ATOM 960 O GLY A 59 -8.302 -17.459 -14.877 1.00 0.00 O ATOM 0 H GLY A 59 -8.244 -18.999 -12.943 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.350 -20.219 -15.441 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.000 -20.571 -14.967 1.00 0.00 H new ATOM 964 N PHE A 60 -9.399 -18.553 -16.509 1.00 0.00 N ATOM 965 CA PHE A 60 -9.890 -17.336 -17.145 1.00 0.00 C ATOM 966 C PHE A 60 -11.407 -17.234 -17.025 1.00 0.00 C ATOM 967 O PHE A 60 -12.089 -18.225 -16.762 1.00 0.00 O ATOM 968 CB PHE A 60 -9.480 -17.305 -18.619 1.00 0.00 C ATOM 969 CG PHE A 60 -8.142 -16.664 -18.856 1.00 0.00 C ATOM 970 CD1 PHE A 60 -8.042 -15.299 -19.069 1.00 0.00 C ATOM 971 CD2 PHE A 60 -6.986 -17.427 -18.865 1.00 0.00 C ATOM 972 CE1 PHE A 60 -6.812 -14.706 -19.288 1.00 0.00 C ATOM 973 CE2 PHE A 60 -5.753 -16.840 -19.083 1.00 0.00 C ATOM 974 CZ PHE A 60 -5.667 -15.478 -19.294 1.00 0.00 C ATOM 0 H PHE A 60 -9.688 -19.416 -16.970 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.445 -16.483 -16.633 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.459 -18.325 -19.003 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.238 -16.766 -19.187 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.935 -14.691 -19.064 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.048 -18.492 -18.700 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -6.747 -13.641 -19.454 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.859 -17.446 -19.088 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.705 -15.017 -19.464 1.00 0.00 H new ATOM 984 N VAL A 61 -11.931 -16.028 -17.220 1.00 0.00 N ATOM 985 CA VAL A 61 -13.367 -15.795 -17.135 1.00 0.00 C ATOM 986 C VAL A 61 -13.771 -14.556 -17.927 1.00 0.00 C ATOM 987 O VAL A 61 -12.962 -13.667 -18.192 1.00 0.00 O ATOM 988 CB VAL A 61 -13.823 -15.627 -15.673 1.00 0.00 C ATOM 989 CG1 VAL A 61 -14.016 -16.984 -15.014 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.821 -14.786 -14.896 1.00 0.00 C ATOM 0 H VAL A 61 -11.381 -15.197 -17.438 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.855 -16.671 -17.562 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.781 -15.108 -15.667 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.338 -16.845 -13.982 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.774 -17.548 -15.558 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.075 -17.533 -15.029 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.159 -14.677 -13.865 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.847 -15.276 -14.909 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.738 -13.801 -15.356 1.00 0.00 H new ATOM 1000 N PRO A 62 -15.054 -14.494 -18.314 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.595 -13.368 -19.081 1.00 0.00 C ATOM 1002 C PRO A 62 -15.682 -12.091 -18.253 1.00 0.00 C ATOM 1003 O PRO A 62 -16.325 -12.062 -17.204 1.00 0.00 O ATOM 1004 CB PRO A 62 -16.995 -13.847 -19.473 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.360 -14.847 -18.430 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.074 -15.518 -18.033 1.00 0.00 C ATOM 0 HA PRO A 62 -14.963 -13.113 -19.931 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.705 -13.020 -19.494 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.997 -14.294 -20.467 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.829 -14.364 -17.573 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -18.075 -15.572 -18.818 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.078 -15.803 -16.981 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.900 -16.427 -18.609 1.00 0.00 H new ATOM 1014 N ALA A 63 -15.030 -11.036 -18.731 1.00 0.00 N ATOM 1015 CA ALA A 63 -15.035 -9.755 -18.036 1.00 0.00 C ATOM 1016 C ALA A 63 -16.447 -9.187 -17.943 1.00 0.00 C ATOM 1017 O ALA A 63 -16.712 -8.285 -17.149 1.00 0.00 O ATOM 1018 CB ALA A 63 -14.113 -8.769 -18.738 1.00 0.00 C ATOM 0 H ALA A 63 -14.491 -11.044 -19.597 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.669 -9.919 -17.022 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.127 -7.817 -18.208 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.097 -9.164 -18.747 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.453 -8.619 -19.763 1.00 0.00 H new ATOM 1024 N ALA A 64 -17.350 -9.721 -18.759 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.735 -9.268 -18.767 1.00 0.00 C ATOM 1026 C ALA A 64 -19.509 -9.845 -17.587 1.00 0.00 C ATOM 1027 O ALA A 64 -20.674 -9.511 -17.372 1.00 0.00 O ATOM 1028 CB ALA A 64 -19.407 -9.649 -20.078 1.00 0.00 C ATOM 0 H ALA A 64 -17.147 -10.468 -19.423 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.736 -8.182 -18.672 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.441 -9.305 -20.070 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.876 -9.183 -20.908 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.386 -10.732 -20.196 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.854 -10.714 -16.825 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.482 -11.340 -15.667 1.00 0.00 C ATOM 1036 C TYR A 65 -18.661 -11.098 -14.405 1.00 0.00 C ATOM 1037 O TYR A 65 -18.884 -11.733 -13.373 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.647 -12.843 -15.901 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.664 -13.182 -16.968 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -20.447 -12.838 -18.296 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -21.842 -13.844 -16.647 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -21.373 -13.145 -19.274 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -22.774 -14.156 -17.618 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.535 -13.804 -18.930 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.461 -14.112 -19.900 1.00 0.00 O ATOM 0 H TYR A 65 -17.889 -11.001 -16.988 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.465 -10.890 -15.531 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.683 -13.266 -16.182 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -19.943 -13.318 -14.965 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -19.539 -12.322 -18.569 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -22.033 -14.120 -15.620 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -21.188 -12.871 -20.302 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -23.684 -14.672 -17.351 1.00 0.00 H new ATOM 0 HH TYR A 65 -24.221 -14.576 -19.491 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.709 -10.174 -14.493 1.00 0.00 N ATOM 1056 CA VAL A 66 -16.855 -9.845 -13.359 1.00 0.00 C ATOM 1057 C VAL A 66 -16.396 -8.393 -13.420 1.00 0.00 C ATOM 1058 O VAL A 66 -16.371 -7.782 -14.488 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.618 -10.761 -13.303 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -16.038 -12.218 -13.179 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.745 -10.552 -14.531 1.00 0.00 C ATOM 0 H VAL A 66 -17.510 -9.640 -15.339 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.451 -9.997 -12.459 1.00 0.00 H new ATOM 0 HB VAL A 66 -15.033 -10.500 -12.421 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.151 -12.850 -13.141 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.619 -12.353 -12.267 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.645 -12.496 -14.040 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.876 -11.207 -14.475 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.318 -10.785 -15.429 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.415 -9.514 -14.571 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.032 -7.844 -12.266 1.00 0.00 N ATOM 1072 CA LYS A 67 -15.570 -6.463 -12.186 1.00 0.00 C ATOM 1073 C LYS A 67 -14.647 -6.266 -10.988 1.00 0.00 C ATOM 1074 O LYS A 67 -15.003 -6.594 -9.856 1.00 0.00 O ATOM 1075 CB LYS A 67 -16.764 -5.510 -12.085 1.00 0.00 C ATOM 1076 CG LYS A 67 -16.369 -4.045 -12.033 1.00 0.00 C ATOM 1077 CD LYS A 67 -17.584 -3.136 -12.127 1.00 0.00 C ATOM 1078 CE LYS A 67 -17.185 -1.669 -12.103 1.00 0.00 C ATOM 1079 NZ LYS A 67 -16.806 -1.219 -10.735 1.00 0.00 N ATOM 0 H LYS A 67 -16.048 -8.335 -11.372 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.010 -6.240 -13.094 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -17.420 -5.671 -12.941 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -17.339 -5.755 -11.192 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.834 -3.844 -11.105 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.683 -3.823 -12.851 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -18.130 -3.351 -13.046 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.260 -3.344 -11.298 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.348 -1.509 -12.783 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.013 -1.062 -12.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.541 -0.214 -10.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.613 -1.347 -10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.000 -1.781 -10.396 1.00 0.00 H new ATOM 1093 N LYS A 68 -13.460 -5.727 -11.245 1.00 0.00 N ATOM 1094 CA LYS A 68 -12.485 -5.483 -10.188 1.00 0.00 C ATOM 1095 C LYS A 68 -13.081 -4.608 -9.090 1.00 0.00 C ATOM 1096 O LYS A 68 -13.824 -3.666 -9.368 1.00 0.00 O ATOM 1097 CB LYS A 68 -11.234 -4.817 -10.764 1.00 0.00 C ATOM 1098 CG LYS A 68 -9.999 -4.990 -9.897 1.00 0.00 C ATOM 1099 CD LYS A 68 -8.756 -4.448 -10.583 1.00 0.00 C ATOM 1100 CE LYS A 68 -8.719 -2.928 -10.550 1.00 0.00 C ATOM 1101 NZ LYS A 68 -7.828 -2.372 -11.606 1.00 0.00 N ATOM 0 H LYS A 68 -13.150 -5.451 -12.177 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.209 -6.444 -9.753 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.035 -5.231 -11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.428 -3.753 -10.897 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.145 -4.476 -8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.858 -6.047 -9.669 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.867 -4.845 -10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.731 -4.791 -11.617 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.728 -2.537 -10.683 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.374 -2.594 -9.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.830 -1.333 -11.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.860 -2.725 -11.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.171 -2.669 -12.542 1.00 0.00 H new ATOM 1115 N LEU A 69 -12.749 -4.923 -7.843 1.00 0.00 N ATOM 1116 CA LEU A 69 -13.250 -4.164 -6.703 1.00 0.00 C ATOM 1117 C LEU A 69 -12.250 -3.092 -6.281 1.00 0.00 C ATOM 1118 O LEU A 69 -12.540 -1.897 -6.350 1.00 0.00 O ATOM 1119 CB LEU A 69 -13.536 -5.100 -5.528 1.00 0.00 C ATOM 1120 CG LEU A 69 -14.563 -6.204 -5.784 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -14.315 -7.388 -4.863 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -15.976 -5.671 -5.601 1.00 0.00 C ATOM 0 H LEU A 69 -12.135 -5.699 -7.596 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.176 -3.674 -7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.599 -5.566 -5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.880 -4.499 -4.686 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.454 -6.542 -6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.055 -8.163 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.316 -7.786 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.395 -7.065 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.693 -6.470 -5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.097 -5.305 -4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.151 -4.856 -6.303 1.00 0.00 H new ATOM 1134 N ASP A 70 -11.072 -3.526 -5.847 1.00 0.00 N ATOM 1135 CA ASP A 70 -10.028 -2.603 -5.417 1.00 0.00 C ATOM 1136 C ASP A 70 -10.511 -1.738 -4.258 1.00 0.00 C ATOM 1137 O ASP A 70 -10.401 -0.511 -4.298 1.00 0.00 O ATOM 1138 CB ASP A 70 -9.590 -1.717 -6.584 1.00 0.00 C ATOM 1139 CG ASP A 70 -8.317 -0.950 -6.282 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -7.740 -1.164 -5.195 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -7.898 -0.137 -7.132 1.00 0.00 O ATOM 0 H ASP A 70 -10.816 -4.511 -5.784 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.175 -3.190 -5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.437 -2.335 -7.469 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.388 -1.013 -6.821 1.00 0.00 H new TER 1146 ASP A 70