USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 666 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 48 GLN :FLIP amide:sc= -2.26 F(o=-3.4!,f=-0.99) USER MOD Set 1.2: A 66 THR OG1 : rot 117:sc= 1.27 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 110:sc= -2.19! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.959 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.933 USER MOD Single : A 34 ASN : amide:sc= -0.601 K(o=-0.6,f=-13!) USER MOD Single : A 45 LYS NZ :NH3+ -109:sc= 0.424 (180deg=-0.105) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot -15:sc= 0.0458 USER MOD Single : A 76 ASN : amide:sc= -0.276 K(o=-0.28,f=-2!) USER MOD Single : A 77 MET CE :methyl -157:sc= -0.0792 (180deg=-0.471) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -162:sc= -0.0842 (180deg=-0.547) USER MOD Single : A 89 MET CE :methyl 154:sc= -0.0762 (180deg=-0.826) USER MOD Single : A 91 GLN : amide:sc= -0.0792 K(o=-0.079,f=-1.3) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.448 -0.057 -13.007 1.00 0.00 N ATOM 2 CA GLY A 1 -5.439 -1.046 -13.391 1.00 0.00 C ATOM 3 C GLY A 1 -5.304 -2.336 -12.608 1.00 0.00 C ATOM 4 O GLY A 1 -4.216 -2.906 -12.520 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.583 0.806 -13.571 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.556 0.168 -11.997 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.495 -0.436 -13.177 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.437 -0.634 -13.238 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.342 -1.259 -14.456 1.00 0.00 H new ATOM 8 N SER A 2 -6.411 -2.797 -12.035 1.00 0.00 N ATOM 9 CA SER A 2 -6.410 -4.026 -11.250 1.00 0.00 C ATOM 10 C SER A 2 -6.099 -5.233 -12.130 1.00 0.00 C ATOM 11 O SER A 2 -6.326 -5.208 -13.339 1.00 0.00 O ATOM 12 CB SER A 2 -7.763 -4.218 -10.562 1.00 0.00 C ATOM 13 OG SER A 2 -7.801 -3.545 -9.315 1.00 0.00 O ATOM 0 H SER A 2 -7.320 -2.338 -12.100 1.00 0.00 H new ATOM 0 HA SER A 2 -5.633 -3.942 -10.491 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.558 -3.843 -11.206 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.950 -5.281 -10.411 1.00 0.00 H new ATOM 0 HG SER A 2 -8.676 -3.682 -8.896 1.00 0.00 H new ATOM 19 N SER A 3 -5.579 -6.289 -11.513 1.00 0.00 N ATOM 20 CA SER A 3 -5.232 -7.505 -12.239 1.00 0.00 C ATOM 21 C SER A 3 -6.251 -7.790 -13.339 1.00 0.00 C ATOM 22 O SER A 3 -7.422 -8.050 -13.064 1.00 0.00 O ATOM 23 CB SER A 3 -5.156 -8.694 -11.279 1.00 0.00 C ATOM 24 OG SER A 3 -3.880 -8.774 -10.667 1.00 0.00 O ATOM 0 H SER A 3 -5.389 -6.327 -10.512 1.00 0.00 H new ATOM 0 HA SER A 3 -4.256 -7.357 -12.701 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.925 -8.597 -10.513 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.361 -9.617 -11.821 1.00 0.00 H new ATOM 0 HG SER A 3 -3.857 -9.541 -10.057 1.00 0.00 H new ATOM 30 N GLY A 4 -5.795 -7.738 -14.587 1.00 0.00 N ATOM 31 CA GLY A 4 -6.679 -7.992 -15.710 1.00 0.00 C ATOM 32 C GLY A 4 -5.937 -8.513 -16.924 1.00 0.00 C ATOM 33 O GLY A 4 -5.588 -9.692 -16.988 1.00 0.00 O ATOM 0 H GLY A 4 -4.830 -7.525 -14.840 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.439 -8.715 -15.414 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.200 -7.072 -15.974 1.00 0.00 H new ATOM 37 N SER A 5 -5.696 -7.634 -17.892 1.00 0.00 N ATOM 38 CA SER A 5 -4.995 -8.014 -19.113 1.00 0.00 C ATOM 39 C SER A 5 -3.674 -8.704 -18.789 1.00 0.00 C ATOM 40 O SER A 5 -2.715 -8.063 -18.360 1.00 0.00 O ATOM 41 CB SER A 5 -4.740 -6.782 -19.984 1.00 0.00 C ATOM 42 OG SER A 5 -5.958 -6.228 -20.452 1.00 0.00 O ATOM 0 H SER A 5 -5.976 -6.654 -17.854 1.00 0.00 H new ATOM 0 HA SER A 5 -5.625 -8.714 -19.661 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.193 -6.034 -19.410 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.112 -7.056 -20.832 1.00 0.00 H new ATOM 0 HG SER A 5 -5.769 -5.441 -21.005 1.00 0.00 H new ATOM 48 N SER A 6 -3.632 -10.016 -18.997 1.00 0.00 N ATOM 49 CA SER A 6 -2.430 -10.796 -18.724 1.00 0.00 C ATOM 50 C SER A 6 -2.000 -10.639 -17.269 1.00 0.00 C ATOM 51 O SER A 6 -0.818 -10.469 -16.974 1.00 0.00 O ATOM 52 CB SER A 6 -1.294 -10.363 -19.653 1.00 0.00 C ATOM 53 OG SER A 6 -1.308 -11.109 -20.858 1.00 0.00 O ATOM 0 H SER A 6 -4.417 -10.562 -19.354 1.00 0.00 H new ATOM 0 HA SER A 6 -2.659 -11.846 -18.906 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.389 -9.301 -19.878 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.337 -10.498 -19.149 1.00 0.00 H new ATOM 0 HG SER A 6 -0.574 -10.812 -21.435 1.00 0.00 H new ATOM 59 N GLY A 7 -2.971 -10.697 -16.362 1.00 0.00 N ATOM 60 CA GLY A 7 -2.674 -10.560 -14.948 1.00 0.00 C ATOM 61 C GLY A 7 -3.248 -11.693 -14.122 1.00 0.00 C ATOM 62 O GLY A 7 -4.337 -11.574 -13.561 1.00 0.00 O ATOM 0 H GLY A 7 -3.957 -10.836 -16.581 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.594 -10.524 -14.809 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.073 -9.612 -14.586 1.00 0.00 H new ATOM 66 N THR A 8 -2.514 -12.800 -14.048 1.00 0.00 N ATOM 67 CA THR A 8 -2.958 -13.961 -13.287 1.00 0.00 C ATOM 68 C THR A 8 -2.797 -13.731 -11.789 1.00 0.00 C ATOM 69 O THR A 8 -2.017 -12.880 -11.362 1.00 0.00 O ATOM 70 CB THR A 8 -2.177 -15.227 -13.687 1.00 0.00 C ATOM 71 OG1 THR A 8 -0.770 -14.997 -13.553 1.00 0.00 O ATOM 72 CG2 THR A 8 -2.496 -15.630 -15.119 1.00 0.00 C ATOM 0 H THR A 8 -1.610 -12.916 -14.506 1.00 0.00 H new ATOM 0 HA THR A 8 -4.013 -14.106 -13.518 1.00 0.00 H new ATOM 0 HB THR A 8 -2.477 -16.038 -13.023 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.280 -15.807 -13.807 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.933 -16.526 -15.379 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.563 -15.833 -15.211 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.221 -14.820 -15.795 1.00 0.00 H new ATOM 80 N ASP A 9 -3.540 -14.495 -10.995 1.00 0.00 N ATOM 81 CA ASP A 9 -3.478 -14.375 -9.543 1.00 0.00 C ATOM 82 C ASP A 9 -3.127 -15.714 -8.902 1.00 0.00 C ATOM 83 O ASP A 9 -3.576 -16.775 -9.336 1.00 0.00 O ATOM 84 CB ASP A 9 -4.813 -13.868 -8.995 1.00 0.00 C ATOM 85 CG ASP A 9 -5.996 -14.644 -9.540 1.00 0.00 C ATOM 86 OD1 ASP A 9 -6.299 -14.495 -10.742 1.00 0.00 O ATOM 87 OD2 ASP A 9 -6.619 -15.400 -8.765 1.00 0.00 O ATOM 0 H ASP A 9 -4.192 -15.203 -11.332 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.696 -13.657 -9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -4.806 -13.939 -7.907 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.928 -12.813 -9.245 1.00 0.00 H new ATOM 92 N PRO A 10 -2.303 -15.666 -7.844 1.00 0.00 N ATOM 93 CA PRO A 10 -1.873 -16.867 -7.121 1.00 0.00 C ATOM 94 C PRO A 10 -3.009 -17.507 -6.331 1.00 0.00 C ATOM 95 O PRO A 10 -3.455 -16.968 -5.319 1.00 0.00 O ATOM 96 CB PRO A 10 -0.792 -16.341 -6.173 1.00 0.00 C ATOM 97 CG PRO A 10 -1.128 -14.903 -5.976 1.00 0.00 C ATOM 98 CD PRO A 10 -1.730 -14.437 -7.272 1.00 0.00 C ATOM 0 HA PRO A 10 -1.524 -17.647 -7.798 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.798 -16.882 -5.227 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.203 -16.460 -6.602 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.830 -14.776 -5.152 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.238 -14.325 -5.729 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.493 -13.676 -7.110 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.979 -14.000 -7.930 1.00 0.00 H new ATOM 106 N GLY A 11 -3.474 -18.661 -6.800 1.00 0.00 N ATOM 107 CA GLY A 11 -4.554 -19.355 -6.125 1.00 0.00 C ATOM 108 C GLY A 11 -5.920 -18.850 -6.545 1.00 0.00 C ATOM 109 O GLY A 11 -6.063 -17.701 -6.963 1.00 0.00 O ATOM 0 H GLY A 11 -3.121 -19.127 -7.636 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.484 -20.422 -6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.441 -19.235 -5.047 1.00 0.00 H new ATOM 113 N ALA A 12 -6.927 -19.711 -6.436 1.00 0.00 N ATOM 114 CA ALA A 12 -8.288 -19.345 -6.808 1.00 0.00 C ATOM 115 C ALA A 12 -9.053 -18.787 -5.612 1.00 0.00 C ATOM 116 O ALA A 12 -10.238 -19.067 -5.437 1.00 0.00 O ATOM 117 CB ALA A 12 -9.018 -20.548 -7.389 1.00 0.00 C ATOM 0 H ALA A 12 -6.826 -20.666 -6.093 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.233 -18.565 -7.567 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.033 -20.260 -7.662 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.490 -20.901 -8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.054 -21.345 -6.646 1.00 0.00 H new ATOM 123 N GLU A 13 -8.366 -17.996 -4.794 1.00 0.00 N ATOM 124 CA GLU A 13 -8.982 -17.400 -3.614 1.00 0.00 C ATOM 125 C GLU A 13 -8.362 -16.041 -3.304 1.00 0.00 C ATOM 126 O GLU A 13 -7.390 -15.632 -3.939 1.00 0.00 O ATOM 127 CB GLU A 13 -8.829 -18.329 -2.407 1.00 0.00 C ATOM 128 CG GLU A 13 -7.386 -18.685 -2.092 1.00 0.00 C ATOM 129 CD GLU A 13 -7.269 -19.830 -1.105 1.00 0.00 C ATOM 130 OE1 GLU A 13 -7.357 -19.573 0.114 1.00 0.00 O ATOM 131 OE2 GLU A 13 -7.091 -20.983 -1.551 1.00 0.00 O ATOM 0 H GLU A 13 -7.384 -17.753 -4.926 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.042 -17.258 -3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.276 -17.853 -1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.389 -19.246 -2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.872 -18.952 -3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.880 -17.809 -1.688 1.00 0.00 H new ATOM 138 N GLU A 14 -8.932 -15.346 -2.325 1.00 0.00 N ATOM 139 CA GLU A 14 -8.436 -14.032 -1.933 1.00 0.00 C ATOM 140 C GLU A 14 -8.860 -13.694 -0.506 1.00 0.00 C ATOM 141 O GLU A 14 -9.912 -14.132 -0.039 1.00 0.00 O ATOM 142 CB GLU A 14 -8.950 -12.960 -2.896 1.00 0.00 C ATOM 143 CG GLU A 14 -8.023 -11.762 -3.025 1.00 0.00 C ATOM 144 CD GLU A 14 -8.252 -10.982 -4.305 1.00 0.00 C ATOM 145 OE1 GLU A 14 -9.262 -10.253 -4.383 1.00 0.00 O ATOM 146 OE2 GLU A 14 -7.419 -11.101 -5.228 1.00 0.00 O ATOM 0 H GLU A 14 -9.737 -15.671 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.347 -14.056 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.093 -13.406 -3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.928 -12.617 -2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.168 -11.101 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.988 -12.103 -2.992 1.00 0.00 H new ATOM 153 N LEU A 15 -8.034 -12.913 0.181 1.00 0.00 N ATOM 154 CA LEU A 15 -8.322 -12.515 1.555 1.00 0.00 C ATOM 155 C LEU A 15 -8.766 -11.058 1.618 1.00 0.00 C ATOM 156 O LEU A 15 -8.382 -10.229 0.792 1.00 0.00 O ATOM 157 CB LEU A 15 -7.088 -12.724 2.435 1.00 0.00 C ATOM 158 CG LEU A 15 -6.793 -14.167 2.846 1.00 0.00 C ATOM 159 CD1 LEU A 15 -5.318 -14.336 3.178 1.00 0.00 C ATOM 160 CD2 LEU A 15 -7.658 -14.572 4.030 1.00 0.00 C ATOM 0 H LEU A 15 -7.159 -12.543 -0.191 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.135 -13.139 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.219 -12.333 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.206 -12.127 3.339 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.033 -14.820 2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.126 -15.369 3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.717 -14.088 2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.052 -13.673 4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.434 -15.602 4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.450 -13.914 4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.710 -14.490 3.757 1.00 0.00 H new ATOM 172 N PRO A 16 -9.593 -10.734 2.624 1.00 0.00 N ATOM 173 CA PRO A 16 -10.105 -9.375 2.821 1.00 0.00 C ATOM 174 C PRO A 16 -9.017 -8.406 3.273 1.00 0.00 C ATOM 175 O PRO A 16 -8.294 -8.673 4.233 1.00 0.00 O ATOM 176 CB PRO A 16 -11.156 -9.548 3.920 1.00 0.00 C ATOM 177 CG PRO A 16 -10.731 -10.767 4.663 1.00 0.00 C ATOM 178 CD PRO A 16 -10.091 -11.670 3.646 1.00 0.00 C ATOM 0 HA PRO A 16 -10.499 -8.950 1.898 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.191 -8.677 4.575 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.154 -9.669 3.498 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.029 -10.515 5.457 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.585 -11.254 5.135 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.282 -12.257 4.082 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.808 -12.377 3.228 1.00 0.00 H new ATOM 186 N ALA A 17 -8.908 -7.280 2.576 1.00 0.00 N ATOM 187 CA ALA A 17 -7.910 -6.270 2.908 1.00 0.00 C ATOM 188 C ALA A 17 -8.572 -4.955 3.305 1.00 0.00 C ATOM 189 O ALA A 17 -9.292 -4.347 2.514 1.00 0.00 O ATOM 190 CB ALA A 17 -6.967 -6.054 1.733 1.00 0.00 C ATOM 0 H ALA A 17 -9.498 -7.044 1.778 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.334 -6.630 3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.227 -5.298 1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.461 -6.990 1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.537 -5.720 0.866 1.00 0.00 H new ATOM 196 N ARG A 18 -8.323 -4.522 4.537 1.00 0.00 N ATOM 197 CA ARG A 18 -8.896 -3.279 5.040 1.00 0.00 C ATOM 198 C ARG A 18 -8.453 -2.092 4.190 1.00 0.00 C ATOM 199 O ARG A 18 -7.291 -1.688 4.228 1.00 0.00 O ATOM 200 CB ARG A 18 -8.486 -3.057 6.497 1.00 0.00 C ATOM 201 CG ARG A 18 -8.795 -4.237 7.404 1.00 0.00 C ATOM 202 CD ARG A 18 -7.902 -4.243 8.634 1.00 0.00 C ATOM 203 NE ARG A 18 -8.268 -3.194 9.581 1.00 0.00 N ATOM 204 CZ ARG A 18 -7.548 -2.890 10.656 1.00 0.00 C ATOM 205 NH1 ARG A 18 -6.430 -3.552 10.918 1.00 0.00 N ATOM 206 NH2 ARG A 18 -7.947 -1.921 11.470 1.00 0.00 N ATOM 0 H ARG A 18 -7.729 -5.013 5.205 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.981 -3.360 4.983 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.417 -2.849 6.537 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.997 -2.173 6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.840 -4.197 7.712 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.661 -5.167 6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.968 -5.214 9.125 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.864 -4.110 8.329 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.123 -2.665 9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.120 -4.297 10.294 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.879 -3.317 11.744 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.807 -1.409 11.271 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.394 -1.688 12.295 1.00 0.00 H new ATOM 220 N ILE A 19 -9.387 -1.539 3.423 1.00 0.00 N ATOM 221 CA ILE A 19 -9.093 -0.399 2.564 1.00 0.00 C ATOM 222 C ILE A 19 -8.878 0.868 3.386 1.00 0.00 C ATOM 223 O ILE A 19 -9.742 1.268 4.167 1.00 0.00 O ATOM 224 CB ILE A 19 -10.224 -0.153 1.549 1.00 0.00 C ATOM 225 CG1 ILE A 19 -10.590 -1.455 0.834 1.00 0.00 C ATOM 226 CG2 ILE A 19 -9.811 0.912 0.543 1.00 0.00 C ATOM 227 CD1 ILE A 19 -9.455 -2.039 0.023 1.00 0.00 C ATOM 0 H ILE A 19 -10.353 -1.862 3.379 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.177 -0.639 2.024 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.103 0.204 2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.912 -2.188 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.439 -1.272 0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.621 1.075 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.595 1.843 1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.920 0.582 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.786 -2.960 -0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.148 -1.324 -0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.612 -2.254 0.679 1.00 0.00 H new ATOM 239 N PHE A 20 -7.721 1.496 3.204 1.00 0.00 N ATOM 240 CA PHE A 20 -7.393 2.718 3.927 1.00 0.00 C ATOM 241 C PHE A 20 -7.055 3.849 2.960 1.00 0.00 C ATOM 242 O PHE A 20 -6.234 3.685 2.057 1.00 0.00 O ATOM 243 CB PHE A 20 -6.216 2.474 4.875 1.00 0.00 C ATOM 244 CG PHE A 20 -6.634 2.016 6.243 1.00 0.00 C ATOM 245 CD1 PHE A 20 -7.339 0.834 6.407 1.00 0.00 C ATOM 246 CD2 PHE A 20 -6.321 2.766 7.365 1.00 0.00 C ATOM 247 CE1 PHE A 20 -7.724 0.409 7.664 1.00 0.00 C ATOM 248 CE2 PHE A 20 -6.703 2.345 8.625 1.00 0.00 C ATOM 249 CZ PHE A 20 -7.407 1.166 8.775 1.00 0.00 C ATOM 0 H PHE A 20 -6.995 1.178 2.562 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.266 3.011 4.510 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.555 1.726 4.436 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.639 3.394 4.969 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.590 0.238 5.542 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.773 3.690 7.254 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.272 -0.514 7.778 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.451 2.938 9.492 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.709 0.837 9.758 1.00 0.00 H new ATOM 259 N VAL A 21 -7.695 4.997 3.155 1.00 0.00 N ATOM 260 CA VAL A 21 -7.464 6.156 2.301 1.00 0.00 C ATOM 261 C VAL A 21 -6.466 7.117 2.938 1.00 0.00 C ATOM 262 O VAL A 21 -6.381 7.220 4.161 1.00 0.00 O ATOM 263 CB VAL A 21 -8.775 6.912 2.013 1.00 0.00 C ATOM 264 CG1 VAL A 21 -9.101 7.868 3.150 1.00 0.00 C ATOM 265 CG2 VAL A 21 -8.680 7.656 0.689 1.00 0.00 C ATOM 0 H VAL A 21 -8.378 5.150 3.897 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.056 5.781 1.362 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.585 6.186 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.030 8.393 2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.214 7.306 4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.293 8.591 3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.614 8.185 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.860 8.373 0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.497 6.944 -0.116 1.00 0.00 H new ATOM 275 N ALA A 22 -5.712 7.820 2.099 1.00 0.00 N ATOM 276 CA ALA A 22 -4.721 8.775 2.579 1.00 0.00 C ATOM 277 C ALA A 22 -5.342 10.152 2.788 1.00 0.00 C ATOM 278 O ALA A 22 -5.929 10.726 1.869 1.00 0.00 O ATOM 279 CB ALA A 22 -3.556 8.862 1.605 1.00 0.00 C ATOM 0 H ALA A 22 -5.769 7.746 1.083 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.350 8.423 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.824 9.579 1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.088 7.882 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.920 9.187 0.630 1.00 0.00 H new ATOM 285 N LEU A 23 -5.210 10.678 4.001 1.00 0.00 N ATOM 286 CA LEU A 23 -5.758 11.989 4.330 1.00 0.00 C ATOM 287 C LEU A 23 -4.856 13.103 3.812 1.00 0.00 C ATOM 288 O LEU A 23 -5.325 14.189 3.470 1.00 0.00 O ATOM 289 CB LEU A 23 -5.936 12.123 5.844 1.00 0.00 C ATOM 290 CG LEU A 23 -6.834 11.080 6.510 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.806 11.238 8.022 1.00 0.00 C ATOM 292 CD2 LEU A 23 -8.258 11.189 5.986 1.00 0.00 C ATOM 0 H LEU A 23 -4.728 10.217 4.773 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.730 12.081 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.952 12.077 6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.343 13.112 6.056 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.452 10.089 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.451 10.487 8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.786 11.107 8.383 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.161 12.233 8.291 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.883 10.439 6.471 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.650 12.183 6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.263 11.023 4.909 1.00 0.00 H new ATOM 304 N PHE A 24 -3.557 12.827 3.754 1.00 0.00 N ATOM 305 CA PHE A 24 -2.588 13.806 3.276 1.00 0.00 C ATOM 306 C PHE A 24 -1.419 13.118 2.577 1.00 0.00 C ATOM 307 O PHE A 24 -1.010 12.022 2.962 1.00 0.00 O ATOM 308 CB PHE A 24 -2.072 14.655 4.440 1.00 0.00 C ATOM 309 CG PHE A 24 -3.087 14.861 5.528 1.00 0.00 C ATOM 310 CD1 PHE A 24 -3.993 15.906 5.459 1.00 0.00 C ATOM 311 CD2 PHE A 24 -3.133 14.009 6.619 1.00 0.00 C ATOM 312 CE1 PHE A 24 -4.929 16.098 6.458 1.00 0.00 C ATOM 313 CE2 PHE A 24 -4.067 14.196 7.621 1.00 0.00 C ATOM 314 CZ PHE A 24 -4.965 15.242 7.541 1.00 0.00 C ATOM 0 H PHE A 24 -3.151 11.933 4.032 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.089 14.454 2.556 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.189 14.177 4.864 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.757 15.627 4.059 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.968 16.579 4.615 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.432 13.190 6.688 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.631 16.916 6.392 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.094 13.524 8.466 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.694 15.390 8.324 1.00 0.00 H new ATOM 324 N ASP A 25 -0.888 13.767 1.547 1.00 0.00 N ATOM 325 CA ASP A 25 0.234 13.219 0.793 1.00 0.00 C ATOM 326 C ASP A 25 1.360 12.791 1.729 1.00 0.00 C ATOM 327 O ASP A 25 1.572 13.397 2.780 1.00 0.00 O ATOM 328 CB ASP A 25 0.753 14.249 -0.211 1.00 0.00 C ATOM 329 CG ASP A 25 0.972 15.611 0.417 1.00 0.00 C ATOM 330 OD1 ASP A 25 -0.008 16.193 0.928 1.00 0.00 O ATOM 331 OD2 ASP A 25 2.122 16.097 0.395 1.00 0.00 O ATOM 0 H ASP A 25 -1.216 14.674 1.215 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.118 12.341 0.252 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.691 13.894 -0.639 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.043 14.341 -1.033 1.00 0.00 H new ATOM 336 N TYR A 26 2.079 11.744 1.341 1.00 0.00 N ATOM 337 CA TYR A 26 3.181 11.232 2.147 1.00 0.00 C ATOM 338 C TYR A 26 4.443 11.072 1.305 1.00 0.00 C ATOM 339 O TYR A 26 4.447 10.360 0.301 1.00 0.00 O ATOM 340 CB TYR A 26 2.801 9.891 2.776 1.00 0.00 C ATOM 341 CG TYR A 26 3.951 9.204 3.477 1.00 0.00 C ATOM 342 CD1 TYR A 26 4.939 9.940 4.120 1.00 0.00 C ATOM 343 CD2 TYR A 26 4.049 7.818 3.498 1.00 0.00 C ATOM 344 CE1 TYR A 26 5.991 9.316 4.761 1.00 0.00 C ATOM 345 CE2 TYR A 26 5.097 7.185 4.138 1.00 0.00 C ATOM 346 CZ TYR A 26 6.066 7.939 4.767 1.00 0.00 C ATOM 347 OH TYR A 26 7.112 7.313 5.406 1.00 0.00 O ATOM 0 H TYR A 26 1.919 11.233 0.473 1.00 0.00 H new ATOM 0 HA TYR A 26 3.383 11.953 2.939 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.994 10.050 3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.414 9.232 1.999 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.883 11.019 4.118 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.293 7.225 3.005 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.751 9.903 5.255 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.157 6.107 4.146 1.00 0.00 H new ATOM 0 HH TYR A 26 6.781 6.862 6.210 1.00 0.00 H new ATOM 357 N ASP A 27 5.513 11.741 1.721 1.00 0.00 N ATOM 358 CA ASP A 27 6.783 11.672 1.008 1.00 0.00 C ATOM 359 C ASP A 27 7.909 11.240 1.942 1.00 0.00 C ATOM 360 O ASP A 27 8.469 12.040 2.691 1.00 0.00 O ATOM 361 CB ASP A 27 7.115 13.029 0.383 1.00 0.00 C ATOM 362 CG ASP A 27 7.993 12.900 -0.846 1.00 0.00 C ATOM 363 OD1 ASP A 27 8.914 12.058 -0.831 1.00 0.00 O ATOM 364 OD2 ASP A 27 7.760 13.644 -1.822 1.00 0.00 O ATOM 0 H ASP A 27 5.526 12.337 2.548 1.00 0.00 H new ATOM 0 HA ASP A 27 6.687 10.929 0.217 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.190 13.538 0.113 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.618 13.653 1.122 1.00 0.00 H new ATOM 369 N PRO A 28 8.249 9.943 1.899 1.00 0.00 N ATOM 370 CA PRO A 28 9.310 9.375 2.735 1.00 0.00 C ATOM 371 C PRO A 28 10.696 9.853 2.317 1.00 0.00 C ATOM 372 O PRO A 28 11.687 9.590 3.001 1.00 0.00 O ATOM 373 CB PRO A 28 9.173 7.867 2.506 1.00 0.00 C ATOM 374 CG PRO A 28 8.536 7.744 1.165 1.00 0.00 C ATOM 375 CD PRO A 28 7.624 8.932 1.029 1.00 0.00 C ATOM 0 HA PRO A 28 9.210 9.673 3.779 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.144 7.373 2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.561 7.403 3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.287 7.736 0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.977 6.812 1.082 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.561 9.274 -0.004 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.609 8.698 1.350 1.00 0.00 H new ATOM 383 N LEU A 29 10.760 10.556 1.192 1.00 0.00 N ATOM 384 CA LEU A 29 12.026 11.072 0.683 1.00 0.00 C ATOM 385 C LEU A 29 12.257 12.506 1.150 1.00 0.00 C ATOM 386 O LEU A 29 13.397 12.955 1.273 1.00 0.00 O ATOM 387 CB LEU A 29 12.047 11.012 -0.845 1.00 0.00 C ATOM 388 CG LEU A 29 11.363 9.799 -1.478 1.00 0.00 C ATOM 389 CD1 LEU A 29 11.329 9.936 -2.992 1.00 0.00 C ATOM 390 CD2 LEU A 29 12.072 8.515 -1.073 1.00 0.00 C ATOM 0 H LEU A 29 9.950 10.782 0.615 1.00 0.00 H new ATOM 0 HA LEU A 29 12.828 10.448 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.572 11.914 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.086 11.032 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 29 10.337 9.754 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.839 9.064 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.776 10.835 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.347 10.007 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.572 7.663 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.109 8.551 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.044 8.411 0.012 1.00 0.00 H new ATOM 402 N THR A 30 11.167 13.221 1.411 1.00 0.00 N ATOM 403 CA THR A 30 11.250 14.603 1.866 1.00 0.00 C ATOM 404 C THR A 30 10.853 14.724 3.333 1.00 0.00 C ATOM 405 O THR A 30 11.113 15.742 3.973 1.00 0.00 O ATOM 406 CB THR A 30 10.348 15.526 1.024 1.00 0.00 C ATOM 407 OG1 THR A 30 8.986 15.399 1.447 1.00 0.00 O ATOM 408 CG2 THR A 30 10.458 15.188 -0.455 1.00 0.00 C ATOM 0 H THR A 30 10.216 12.865 1.315 1.00 0.00 H new ATOM 0 HA THR A 30 12.288 14.913 1.747 1.00 0.00 H new ATOM 0 HB THR A 30 10.680 16.554 1.171 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.420 15.990 0.908 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.812 15.853 -1.029 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.490 15.314 -0.781 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.150 14.155 -0.616 1.00 0.00 H new ATOM 416 N MET A 31 10.223 13.679 3.859 1.00 0.00 N ATOM 417 CA MET A 31 9.793 13.669 5.252 1.00 0.00 C ATOM 418 C MET A 31 10.806 12.940 6.129 1.00 0.00 C ATOM 419 O MET A 31 11.443 13.544 6.991 1.00 0.00 O ATOM 420 CB MET A 31 8.420 13.006 5.379 1.00 0.00 C ATOM 421 CG MET A 31 7.295 13.811 4.750 1.00 0.00 C ATOM 422 SD MET A 31 5.686 13.443 5.476 1.00 0.00 S ATOM 423 CE MET A 31 4.704 14.790 4.823 1.00 0.00 C ATOM 0 H MET A 31 9.999 12.829 3.342 1.00 0.00 H new ATOM 0 HA MET A 31 9.723 14.702 5.592 1.00 0.00 H new ATOM 0 HB2 MET A 31 8.456 12.022 4.912 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.198 12.850 6.435 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.506 14.874 4.865 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.262 13.606 3.680 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.679 14.701 5.184 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.124 15.740 5.153 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.710 14.750 3.734 1.00 0.00 H new ATOM 433 N SER A 32 10.950 11.638 5.902 1.00 0.00 N ATOM 434 CA SER A 32 11.883 10.826 6.674 1.00 0.00 C ATOM 435 C SER A 32 13.314 11.319 6.489 1.00 0.00 C ATOM 436 O SER A 32 13.715 11.749 5.407 1.00 0.00 O ATOM 437 CB SER A 32 11.779 9.357 6.259 1.00 0.00 C ATOM 438 OG SER A 32 12.116 8.498 7.334 1.00 0.00 O ATOM 0 H SER A 32 10.432 11.123 5.190 1.00 0.00 H new ATOM 0 HA SER A 32 11.619 10.917 7.728 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.765 9.142 5.922 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.442 9.166 5.415 1.00 0.00 H new ATOM 0 HG SER A 32 12.040 7.565 7.044 1.00 0.00 H new ATOM 444 N PRO A 33 14.106 11.255 7.569 1.00 0.00 N ATOM 445 CA PRO A 33 15.506 11.690 7.552 1.00 0.00 C ATOM 446 C PRO A 33 16.391 10.761 6.728 1.00 0.00 C ATOM 447 O PRO A 33 17.138 11.209 5.860 1.00 0.00 O ATOM 448 CB PRO A 33 15.910 11.644 9.028 1.00 0.00 C ATOM 449 CG PRO A 33 14.995 10.640 9.640 1.00 0.00 C ATOM 450 CD PRO A 33 13.696 10.754 8.892 1.00 0.00 C ATOM 0 HA PRO A 33 15.622 12.673 7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 33 16.954 11.351 9.144 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.799 12.620 9.500 1.00 0.00 H new ATOM 0 HG2 PRO A 33 15.407 9.634 9.556 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.852 10.838 10.702 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.189 9.792 8.818 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.007 11.440 9.385 1.00 0.00 H new ATOM 458 N ASN A 34 16.301 9.465 7.006 1.00 0.00 N ATOM 459 CA ASN A 34 17.095 8.472 6.290 1.00 0.00 C ATOM 460 C ASN A 34 16.487 8.174 4.923 1.00 0.00 C ATOM 461 O ASN A 34 15.344 7.732 4.807 1.00 0.00 O ATOM 462 CB ASN A 34 17.196 7.183 7.108 1.00 0.00 C ATOM 463 CG ASN A 34 18.219 6.218 6.541 1.00 0.00 C ATOM 464 OD1 ASN A 34 18.482 6.210 5.338 1.00 0.00 O ATOM 465 ND2 ASN A 34 18.801 5.397 7.407 1.00 0.00 N ATOM 0 H ASN A 34 15.686 9.077 7.722 1.00 0.00 H new ATOM 0 HA ASN A 34 18.095 8.880 6.143 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.462 7.428 8.136 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.220 6.698 7.139 1.00 0.00 H new ATOM 0 HD21 ASN A 34 19.497 4.725 7.084 1.00 0.00 H new ATOM 0 HD22 ASN A 34 18.552 5.439 8.395 1.00 0.00 H new ATOM 472 N PRO A 35 17.270 8.419 3.862 1.00 0.00 N ATOM 473 CA PRO A 35 16.831 8.183 2.483 1.00 0.00 C ATOM 474 C PRO A 35 16.696 6.698 2.164 1.00 0.00 C ATOM 475 O PRO A 35 15.799 6.291 1.426 1.00 0.00 O ATOM 476 CB PRO A 35 17.945 8.812 1.643 1.00 0.00 C ATOM 477 CG PRO A 35 19.149 8.772 2.520 1.00 0.00 C ATOM 478 CD PRO A 35 18.643 8.946 3.926 1.00 0.00 C ATOM 0 HA PRO A 35 15.845 8.605 2.291 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.108 8.254 0.721 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.697 9.834 1.358 1.00 0.00 H new ATOM 0 HG2 PRO A 35 19.680 7.827 2.411 1.00 0.00 H new ATOM 0 HG3 PRO A 35 19.850 9.564 2.257 1.00 0.00 H new ATOM 0 HD2 PRO A 35 19.252 8.395 4.643 1.00 0.00 H new ATOM 0 HD3 PRO A 35 18.658 9.992 4.232 1.00 0.00 H new ATOM 486 N ASP A 36 17.593 5.894 2.724 1.00 0.00 N ATOM 487 CA ASP A 36 17.574 4.453 2.500 1.00 0.00 C ATOM 488 C ASP A 36 16.426 3.800 3.264 1.00 0.00 C ATOM 489 O ASP A 36 15.702 2.965 2.723 1.00 0.00 O ATOM 490 CB ASP A 36 18.905 3.831 2.925 1.00 0.00 C ATOM 491 CG ASP A 36 18.752 2.396 3.388 1.00 0.00 C ATOM 492 OD1 ASP A 36 17.915 1.672 2.809 1.00 0.00 O ATOM 493 OD2 ASP A 36 19.468 1.996 4.330 1.00 0.00 O ATOM 0 H ASP A 36 18.343 6.216 3.336 1.00 0.00 H new ATOM 0 HA ASP A 36 17.424 4.278 1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 36 19.603 3.867 2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 36 19.340 4.425 3.729 1.00 0.00 H new ATOM 498 N ALA A 37 16.267 4.185 4.526 1.00 0.00 N ATOM 499 CA ALA A 37 15.208 3.638 5.365 1.00 0.00 C ATOM 500 C ALA A 37 13.836 3.879 4.743 1.00 0.00 C ATOM 501 O ALA A 37 12.922 3.069 4.900 1.00 0.00 O ATOM 502 CB ALA A 37 15.271 4.244 6.759 1.00 0.00 C ATOM 0 H ALA A 37 16.859 4.874 4.990 1.00 0.00 H new ATOM 0 HA ALA A 37 15.360 2.561 5.442 1.00 0.00 H new ATOM 0 HB1 ALA A 37 14.474 3.826 7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 37 16.236 4.016 7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 37 15.148 5.325 6.692 1.00 0.00 H new ATOM 508 N ALA A 38 13.699 4.997 4.038 1.00 0.00 N ATOM 509 CA ALA A 38 12.440 5.343 3.392 1.00 0.00 C ATOM 510 C ALA A 38 11.935 4.197 2.522 1.00 0.00 C ATOM 511 O ALA A 38 10.732 3.955 2.436 1.00 0.00 O ATOM 512 CB ALA A 38 12.603 6.607 2.560 1.00 0.00 C ATOM 0 H ALA A 38 14.445 5.679 3.900 1.00 0.00 H new ATOM 0 HA ALA A 38 11.700 5.526 4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.654 6.854 2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.910 7.430 3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.362 6.444 1.795 1.00 0.00 H new ATOM 518 N GLU A 39 12.864 3.495 1.879 1.00 0.00 N ATOM 519 CA GLU A 39 12.511 2.375 1.015 1.00 0.00 C ATOM 520 C GLU A 39 11.470 1.480 1.681 1.00 0.00 C ATOM 521 O GLU A 39 10.541 1.002 1.031 1.00 0.00 O ATOM 522 CB GLU A 39 13.757 1.556 0.670 1.00 0.00 C ATOM 523 CG GLU A 39 14.583 2.150 -0.459 1.00 0.00 C ATOM 524 CD GLU A 39 15.784 1.297 -0.814 1.00 0.00 C ATOM 525 OE1 GLU A 39 16.250 0.534 0.058 1.00 0.00 O ATOM 526 OE2 GLU A 39 16.259 1.392 -1.965 1.00 0.00 O ATOM 0 H GLU A 39 13.865 3.682 1.940 1.00 0.00 H new ATOM 0 HA GLU A 39 12.084 2.779 0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.382 1.469 1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.453 0.546 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.953 2.269 -1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.921 3.146 -0.172 1.00 0.00 H new ATOM 533 N GLU A 40 11.633 1.259 2.982 1.00 0.00 N ATOM 534 CA GLU A 40 10.708 0.420 3.735 1.00 0.00 C ATOM 535 C GLU A 40 9.329 1.068 3.814 1.00 0.00 C ATOM 536 O GLU A 40 8.311 0.378 3.866 1.00 0.00 O ATOM 537 CB GLU A 40 11.247 0.168 5.145 1.00 0.00 C ATOM 538 CG GLU A 40 12.472 -0.730 5.177 1.00 0.00 C ATOM 539 CD GLU A 40 12.117 -2.202 5.098 1.00 0.00 C ATOM 540 OE1 GLU A 40 11.905 -2.819 6.164 1.00 0.00 O ATOM 541 OE2 GLU A 40 12.053 -2.738 3.972 1.00 0.00 O ATOM 0 H GLU A 40 12.396 1.649 3.536 1.00 0.00 H new ATOM 0 HA GLU A 40 10.614 -0.533 3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.496 1.124 5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.461 -0.283 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.128 -0.473 4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.031 -0.543 6.094 1.00 0.00 H new ATOM 548 N GLU A 41 9.304 2.397 3.823 1.00 0.00 N ATOM 549 CA GLU A 41 8.050 3.137 3.897 1.00 0.00 C ATOM 550 C GLU A 41 7.333 3.129 2.550 1.00 0.00 C ATOM 551 O GLU A 41 7.970 3.114 1.495 1.00 0.00 O ATOM 552 CB GLU A 41 8.308 4.578 4.341 1.00 0.00 C ATOM 553 CG GLU A 41 8.581 4.717 5.830 1.00 0.00 C ATOM 554 CD GLU A 41 9.298 6.008 6.173 1.00 0.00 C ATOM 555 OE1 GLU A 41 9.810 6.668 5.245 1.00 0.00 O ATOM 556 OE2 GLU A 41 9.348 6.357 7.371 1.00 0.00 O ATOM 0 H GLU A 41 10.138 2.983 3.780 1.00 0.00 H new ATOM 0 HA GLU A 41 7.411 2.647 4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.159 4.974 3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.445 5.190 4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.638 4.674 6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.182 3.872 6.166 1.00 0.00 H new ATOM 563 N LEU A 42 6.006 3.138 2.593 1.00 0.00 N ATOM 564 CA LEU A 42 5.201 3.131 1.376 1.00 0.00 C ATOM 565 C LEU A 42 4.611 4.511 1.106 1.00 0.00 C ATOM 566 O LEU A 42 3.651 4.940 1.746 1.00 0.00 O ATOM 567 CB LEU A 42 4.078 2.098 1.490 1.00 0.00 C ATOM 568 CG LEU A 42 3.622 1.456 0.179 1.00 0.00 C ATOM 569 CD1 LEU A 42 2.521 0.438 0.438 1.00 0.00 C ATOM 570 CD2 LEU A 42 3.147 2.520 -0.799 1.00 0.00 C ATOM 0 H LEU A 42 5.464 3.150 3.457 1.00 0.00 H new ATOM 0 HA LEU A 42 5.850 2.863 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.406 1.307 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.217 2.577 1.956 1.00 0.00 H new ATOM 0 HG LEU A 42 4.472 0.937 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.209 -0.009 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.895 -0.341 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.669 0.934 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.826 2.045 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.311 3.067 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.963 3.211 -1.009 1.00 0.00 H new ATOM 582 N PRO A 43 5.197 5.225 0.132 1.00 0.00 N ATOM 583 CA PRO A 43 4.744 6.566 -0.248 1.00 0.00 C ATOM 584 C PRO A 43 3.388 6.545 -0.945 1.00 0.00 C ATOM 585 O PRO A 43 3.072 5.609 -1.680 1.00 0.00 O ATOM 586 CB PRO A 43 5.833 7.048 -1.210 1.00 0.00 C ATOM 587 CG PRO A 43 6.422 5.800 -1.771 1.00 0.00 C ATOM 588 CD PRO A 43 6.345 4.776 -0.673 1.00 0.00 C ATOM 0 HA PRO A 43 4.606 7.211 0.620 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.416 7.677 -1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.585 7.642 -0.691 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.871 5.470 -2.652 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.454 5.961 -2.083 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.190 3.773 -1.069 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.262 4.748 -0.085 1.00 0.00 H new ATOM 596 N PHE A 44 2.591 7.582 -0.709 1.00 0.00 N ATOM 597 CA PHE A 44 1.268 7.682 -1.315 1.00 0.00 C ATOM 598 C PHE A 44 0.734 9.108 -1.221 1.00 0.00 C ATOM 599 O PHE A 44 1.159 9.889 -0.370 1.00 0.00 O ATOM 600 CB PHE A 44 0.298 6.715 -0.632 1.00 0.00 C ATOM 601 CG PHE A 44 0.294 6.828 0.865 1.00 0.00 C ATOM 602 CD1 PHE A 44 -0.260 7.934 1.489 1.00 0.00 C ATOM 603 CD2 PHE A 44 0.844 5.827 1.650 1.00 0.00 C ATOM 604 CE1 PHE A 44 -0.264 8.040 2.867 1.00 0.00 C ATOM 605 CE2 PHE A 44 0.842 5.927 3.028 1.00 0.00 C ATOM 606 CZ PHE A 44 0.287 7.035 3.638 1.00 0.00 C ATOM 0 H PHE A 44 2.838 8.364 -0.103 1.00 0.00 H new ATOM 0 HA PHE A 44 1.356 7.415 -2.368 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.709 6.900 -1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.559 5.694 -0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.694 8.722 0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.279 4.958 1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.698 8.908 3.341 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.274 5.140 3.628 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.284 7.115 4.715 1.00 0.00 H new ATOM 616 N LYS A 45 -0.202 9.441 -2.103 1.00 0.00 N ATOM 617 CA LYS A 45 -0.797 10.772 -2.122 1.00 0.00 C ATOM 618 C LYS A 45 -2.195 10.752 -1.511 1.00 0.00 C ATOM 619 O LYS A 45 -2.851 9.712 -1.475 1.00 0.00 O ATOM 620 CB LYS A 45 -0.864 11.304 -3.556 1.00 0.00 C ATOM 621 CG LYS A 45 -1.781 10.499 -4.461 1.00 0.00 C ATOM 622 CD LYS A 45 -3.233 10.915 -4.294 1.00 0.00 C ATOM 623 CE LYS A 45 -4.060 10.556 -5.519 1.00 0.00 C ATOM 624 NZ LYS A 45 -5.520 10.567 -5.225 1.00 0.00 N ATOM 0 H LYS A 45 -0.565 8.807 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.167 11.432 -1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.205 12.339 -3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.140 11.308 -3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.480 10.635 -5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.677 9.438 -4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.653 10.428 -3.414 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.287 11.990 -4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.846 11.262 -6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.769 9.568 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.881 9.592 -5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.683 10.998 -4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.017 11.119 -5.953 1.00 0.00 H new ATOM 638 N GLU A 46 -2.644 11.909 -1.033 1.00 0.00 N ATOM 639 CA GLU A 46 -3.964 12.022 -0.424 1.00 0.00 C ATOM 640 C GLU A 46 -5.046 11.518 -1.374 1.00 0.00 C ATOM 641 O GLU A 46 -5.067 11.872 -2.552 1.00 0.00 O ATOM 642 CB GLU A 46 -4.247 13.474 -0.035 1.00 0.00 C ATOM 643 CG GLU A 46 -5.633 13.688 0.551 1.00 0.00 C ATOM 644 CD GLU A 46 -5.972 15.156 0.726 1.00 0.00 C ATOM 645 OE1 GLU A 46 -5.450 15.776 1.676 1.00 0.00 O ATOM 646 OE2 GLU A 46 -6.760 15.683 -0.087 1.00 0.00 O ATOM 0 H GLU A 46 -2.114 12.780 -1.056 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.977 11.404 0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.501 13.799 0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.132 14.106 -0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.374 13.223 -0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.697 13.187 1.517 1.00 0.00 H new ATOM 653 N GLY A 47 -5.944 10.688 -0.853 1.00 0.00 N ATOM 654 CA GLY A 47 -7.017 10.148 -1.668 1.00 0.00 C ATOM 655 C GLY A 47 -6.652 8.819 -2.300 1.00 0.00 C ATOM 656 O GLY A 47 -7.505 8.144 -2.875 1.00 0.00 O ATOM 0 H GLY A 47 -5.948 10.380 0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.908 10.022 -1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.269 10.863 -2.452 1.00 0.00 H new ATOM 660 N GLN A 48 -5.381 8.445 -2.195 1.00 0.00 N ATOM 661 CA GLN A 48 -4.905 7.190 -2.764 1.00 0.00 C ATOM 662 C GLN A 48 -5.366 6.003 -1.925 1.00 0.00 C ATOM 663 O GLN A 48 -5.364 6.061 -0.695 1.00 0.00 O ATOM 664 CB GLN A 48 -3.379 7.196 -2.864 1.00 0.00 C ATOM 665 CG GLN A 48 -2.820 6.070 -3.718 1.00 0.00 C ATOM 666 CD GLN A 48 -1.307 6.104 -3.813 1.00 0.00 C ATOM 667 OE1 GLN A 48 -0.639 5.483 -2.848 1.00 0.00 O flip ATOM 668 NE2 GLN A 48 -0.746 6.684 -4.743 1.00 0.00 N flip ATOM 0 H GLN A 48 -4.663 8.993 -1.721 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.327 7.091 -3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.054 8.150 -3.278 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.957 7.124 -1.861 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.132 5.113 -3.300 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.244 6.134 -4.720 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.300 7.148 -5.463 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.273 6.700 -4.794 1.00 0.00 H new ATOM 677 N ILE A 49 -5.762 4.927 -2.598 1.00 0.00 N ATOM 678 CA ILE A 49 -6.225 3.726 -1.913 1.00 0.00 C ATOM 679 C ILE A 49 -5.068 2.773 -1.632 1.00 0.00 C ATOM 680 O ILE A 49 -4.168 2.614 -2.456 1.00 0.00 O ATOM 681 CB ILE A 49 -7.296 2.987 -2.737 1.00 0.00 C ATOM 682 CG1 ILE A 49 -8.366 3.967 -3.220 1.00 0.00 C ATOM 683 CG2 ILE A 49 -7.923 1.873 -1.912 1.00 0.00 C ATOM 684 CD1 ILE A 49 -9.254 4.487 -2.111 1.00 0.00 C ATOM 0 H ILE A 49 -5.771 4.863 -3.616 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.663 4.049 -0.969 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.819 2.542 -3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.880 4.810 -3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.985 3.475 -3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.678 1.360 -2.508 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.152 1.163 -1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.389 2.297 -1.023 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.989 5.176 -2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.768 3.652 -1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.646 5.008 -1.372 1.00 0.00 H new ATOM 696 N ILE A 50 -5.101 2.142 -0.463 1.00 0.00 N ATOM 697 CA ILE A 50 -4.056 1.202 -0.074 1.00 0.00 C ATOM 698 C ILE A 50 -4.652 -0.049 0.563 1.00 0.00 C ATOM 699 O ILE A 50 -5.494 0.036 1.457 1.00 0.00 O ATOM 700 CB ILE A 50 -3.062 1.843 0.912 1.00 0.00 C ATOM 701 CG1 ILE A 50 -2.483 3.130 0.322 1.00 0.00 C ATOM 702 CG2 ILE A 50 -1.949 0.863 1.254 1.00 0.00 C ATOM 703 CD1 ILE A 50 -1.982 4.102 1.368 1.00 0.00 C ATOM 0 H ILE A 50 -5.839 2.264 0.231 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.525 0.925 -0.985 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.594 2.094 1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.662 2.876 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.247 3.620 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.254 1.330 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.377 -0.029 1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.417 0.585 0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.585 4.991 0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.804 4.386 2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.195 3.630 1.956 1.00 0.00 H new ATOM 715 N LYS A 51 -4.209 -1.212 0.097 1.00 0.00 N ATOM 716 CA LYS A 51 -4.694 -2.482 0.621 1.00 0.00 C ATOM 717 C LYS A 51 -3.878 -2.918 1.834 1.00 0.00 C ATOM 718 O LYS A 51 -2.875 -3.619 1.700 1.00 0.00 O ATOM 719 CB LYS A 51 -4.634 -3.561 -0.462 1.00 0.00 C ATOM 720 CG LYS A 51 -5.768 -3.477 -1.469 1.00 0.00 C ATOM 721 CD LYS A 51 -5.484 -4.320 -2.701 1.00 0.00 C ATOM 722 CE LYS A 51 -6.635 -4.261 -3.693 1.00 0.00 C ATOM 723 NZ LYS A 51 -6.221 -4.714 -5.050 1.00 0.00 N ATOM 0 H LYS A 51 -3.514 -1.300 -0.644 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.730 -2.346 0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.684 -3.481 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.653 -4.542 0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.695 -3.812 -1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.917 -2.438 -1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.570 -3.969 -3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.311 -5.354 -2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.454 -4.885 -3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.013 -3.240 -3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.033 -4.659 -5.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.456 -4.103 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.884 -5.697 -5.000 1.00 0.00 H new ATOM 737 N VAL A 52 -4.315 -2.499 3.018 1.00 0.00 N ATOM 738 CA VAL A 52 -3.626 -2.848 4.254 1.00 0.00 C ATOM 739 C VAL A 52 -3.771 -4.334 4.563 1.00 0.00 C ATOM 740 O VAL A 52 -4.882 -4.861 4.624 1.00 0.00 O ATOM 741 CB VAL A 52 -4.163 -2.032 5.445 1.00 0.00 C ATOM 742 CG1 VAL A 52 -3.587 -2.555 6.753 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.845 -0.556 5.266 1.00 0.00 C ATOM 0 H VAL A 52 -5.143 -1.917 3.147 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.572 -2.612 4.107 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.247 -2.145 5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.977 -1.967 7.583 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.870 -3.599 6.883 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.500 -2.474 6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.232 0.005 6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.765 -0.421 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.310 -0.192 4.350 1.00 0.00 H new ATOM 753 N TYR A 53 -2.641 -5.005 4.758 1.00 0.00 N ATOM 754 CA TYR A 53 -2.642 -6.432 5.059 1.00 0.00 C ATOM 755 C TYR A 53 -2.024 -6.700 6.428 1.00 0.00 C ATOM 756 O TYR A 53 -0.886 -6.316 6.694 1.00 0.00 O ATOM 757 CB TYR A 53 -1.877 -7.202 3.982 1.00 0.00 C ATOM 758 CG TYR A 53 -2.619 -7.306 2.669 1.00 0.00 C ATOM 759 CD1 TYR A 53 -3.713 -8.152 2.532 1.00 0.00 C ATOM 760 CD2 TYR A 53 -2.228 -6.557 1.566 1.00 0.00 C ATOM 761 CE1 TYR A 53 -4.394 -8.250 1.334 1.00 0.00 C ATOM 762 CE2 TYR A 53 -2.903 -6.648 0.364 1.00 0.00 C ATOM 763 CZ TYR A 53 -3.985 -7.497 0.253 1.00 0.00 C ATOM 764 OH TYR A 53 -4.662 -7.591 -0.942 1.00 0.00 O ATOM 0 H TYR A 53 -1.713 -4.584 4.713 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.677 -6.774 5.074 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.918 -6.713 3.810 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.662 -8.206 4.349 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.036 -8.743 3.376 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.381 -5.892 1.650 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.242 -8.913 1.244 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.586 -6.058 -0.483 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.602 -7.807 -0.769 1.00 0.00 H new ATOM 774 N GLY A 54 -2.784 -7.363 7.294 1.00 0.00 N ATOM 775 CA GLY A 54 -2.295 -7.673 8.625 1.00 0.00 C ATOM 776 C GLY A 54 -2.668 -6.611 9.641 1.00 0.00 C ATOM 777 O GLY A 54 -3.666 -5.909 9.477 1.00 0.00 O ATOM 0 H GLY A 54 -3.730 -7.691 7.098 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.700 -8.634 8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.210 -7.778 8.595 1.00 0.00 H new ATOM 781 N ASP A 55 -1.866 -6.494 10.693 1.00 0.00 N ATOM 782 CA ASP A 55 -2.117 -5.511 11.740 1.00 0.00 C ATOM 783 C ASP A 55 -1.006 -4.467 11.783 1.00 0.00 C ATOM 784 O ASP A 55 -0.103 -4.470 10.946 1.00 0.00 O ATOM 785 CB ASP A 55 -2.238 -6.202 13.100 1.00 0.00 C ATOM 786 CG ASP A 55 -0.887 -6.471 13.734 1.00 0.00 C ATOM 787 OD1 ASP A 55 -0.147 -7.328 13.209 1.00 0.00 O ATOM 788 OD2 ASP A 55 -0.572 -5.826 14.756 1.00 0.00 O ATOM 0 H ASP A 55 -1.036 -7.068 10.843 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.056 -5.007 11.513 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.833 -5.580 13.769 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.774 -7.144 12.980 1.00 0.00 H new ATOM 793 N LYS A 56 -1.079 -3.573 12.764 1.00 0.00 N ATOM 794 CA LYS A 56 -0.080 -2.522 12.917 1.00 0.00 C ATOM 795 C LYS A 56 1.247 -3.099 13.399 1.00 0.00 C ATOM 796 O LYS A 56 1.284 -3.897 14.336 1.00 0.00 O ATOM 797 CB LYS A 56 -0.574 -1.460 13.902 1.00 0.00 C ATOM 798 CG LYS A 56 -1.730 -0.630 13.372 1.00 0.00 C ATOM 799 CD LYS A 56 -1.844 0.698 14.101 1.00 0.00 C ATOM 800 CE LYS A 56 -2.716 0.580 15.341 1.00 0.00 C ATOM 801 NZ LYS A 56 -2.412 1.645 16.337 1.00 0.00 N ATOM 0 H LYS A 56 -1.820 -3.556 13.465 1.00 0.00 H new ATOM 0 HA LYS A 56 0.077 -2.060 11.942 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.882 -1.949 14.826 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.254 -0.797 14.153 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.591 -0.450 12.306 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.660 -1.188 13.482 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.850 1.045 14.385 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.263 1.448 13.430 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.766 0.641 15.054 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.567 -0.398 15.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.027 1.530 17.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.417 1.572 16.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.579 2.578 15.909 1.00 0.00 H new ATOM 815 N ASP A 57 2.334 -2.689 12.755 1.00 0.00 N ATOM 816 CA ASP A 57 3.664 -3.164 13.120 1.00 0.00 C ATOM 817 C ASP A 57 4.138 -2.510 14.414 1.00 0.00 C ATOM 818 O ASP A 57 3.409 -1.737 15.033 1.00 0.00 O ATOM 819 CB ASP A 57 4.659 -2.876 11.994 1.00 0.00 C ATOM 820 CG ASP A 57 4.730 -4.002 10.982 1.00 0.00 C ATOM 821 OD1 ASP A 57 3.670 -4.387 10.447 1.00 0.00 O ATOM 822 OD2 ASP A 57 5.847 -4.500 10.726 1.00 0.00 O ATOM 0 H ASP A 57 2.321 -2.029 11.978 1.00 0.00 H new ATOM 0 HA ASP A 57 3.608 -4.241 13.278 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.373 -1.954 11.488 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.649 -2.712 12.421 1.00 0.00 H new ATOM 827 N ALA A 58 5.364 -2.828 14.817 1.00 0.00 N ATOM 828 CA ALA A 58 5.936 -2.270 16.036 1.00 0.00 C ATOM 829 C ALA A 58 5.886 -0.746 16.020 1.00 0.00 C ATOM 830 O ALA A 58 5.562 -0.116 17.026 1.00 0.00 O ATOM 831 CB ALA A 58 7.368 -2.751 16.215 1.00 0.00 C ATOM 0 H ALA A 58 5.980 -3.469 14.317 1.00 0.00 H new ATOM 0 HA ALA A 58 5.339 -2.617 16.879 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.783 -2.327 17.129 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.381 -3.839 16.282 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.968 -2.433 15.362 1.00 0.00 H new ATOM 837 N ASP A 59 6.209 -0.161 14.872 1.00 0.00 N ATOM 838 CA ASP A 59 6.200 1.290 14.725 1.00 0.00 C ATOM 839 C ASP A 59 4.819 1.785 14.307 1.00 0.00 C ATOM 840 O ASP A 59 4.693 2.809 13.636 1.00 0.00 O ATOM 841 CB ASP A 59 7.245 1.725 13.696 1.00 0.00 C ATOM 842 CG ASP A 59 8.599 1.993 14.323 1.00 0.00 C ATOM 843 OD1 ASP A 59 8.663 2.124 15.564 1.00 0.00 O ATOM 844 OD2 ASP A 59 9.595 2.070 13.574 1.00 0.00 O ATOM 0 H ASP A 59 6.480 -0.669 14.030 1.00 0.00 H new ATOM 0 HA ASP A 59 6.447 1.731 15.691 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.347 0.950 12.936 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.898 2.625 13.189 1.00 0.00 H new ATOM 849 N GLY A 60 3.786 1.051 14.708 1.00 0.00 N ATOM 850 CA GLY A 60 2.428 1.431 14.365 1.00 0.00 C ATOM 851 C GLY A 60 2.263 1.720 12.886 1.00 0.00 C ATOM 852 O GLY A 60 1.782 2.787 12.505 1.00 0.00 O ATOM 0 H GLY A 60 3.865 0.200 15.264 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.746 0.631 14.654 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.145 2.314 14.938 1.00 0.00 H new ATOM 856 N PHE A 61 2.664 0.768 12.050 1.00 0.00 N ATOM 857 CA PHE A 61 2.561 0.926 10.604 1.00 0.00 C ATOM 858 C PHE A 61 1.631 -0.126 10.007 1.00 0.00 C ATOM 859 O PHE A 61 1.552 -1.251 10.499 1.00 0.00 O ATOM 860 CB PHE A 61 3.944 0.826 9.959 1.00 0.00 C ATOM 861 CG PHE A 61 4.651 2.147 9.847 1.00 0.00 C ATOM 862 CD1 PHE A 61 4.436 2.972 8.754 1.00 0.00 C ATOM 863 CD2 PHE A 61 5.529 2.564 10.834 1.00 0.00 C ATOM 864 CE1 PHE A 61 5.085 4.187 8.648 1.00 0.00 C ATOM 865 CE2 PHE A 61 6.181 3.778 10.733 1.00 0.00 C ATOM 866 CZ PHE A 61 5.958 4.592 9.639 1.00 0.00 C ATOM 0 H PHE A 61 3.064 -0.121 12.349 1.00 0.00 H new ATOM 0 HA PHE A 61 2.144 1.912 10.400 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.560 0.142 10.543 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.842 0.392 8.964 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.754 2.662 7.977 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.706 1.933 11.692 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.910 4.820 7.791 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.864 4.090 11.509 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.465 5.542 9.559 1.00 0.00 H new ATOM 876 N TYR A 62 0.928 0.250 8.944 1.00 0.00 N ATOM 877 CA TYR A 62 0.001 -0.659 8.280 1.00 0.00 C ATOM 878 C TYR A 62 0.582 -1.165 6.964 1.00 0.00 C ATOM 879 O TYR A 62 0.538 -0.472 5.946 1.00 0.00 O ATOM 880 CB TYR A 62 -1.336 0.039 8.026 1.00 0.00 C ATOM 881 CG TYR A 62 -2.285 -0.024 9.201 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.552 -1.229 9.840 1.00 0.00 C ATOM 883 CD2 TYR A 62 -2.915 1.121 9.673 1.00 0.00 C ATOM 884 CE1 TYR A 62 -3.419 -1.291 10.914 1.00 0.00 C ATOM 885 CE2 TYR A 62 -3.782 1.068 10.747 1.00 0.00 C ATOM 886 CZ TYR A 62 -4.032 -0.140 11.364 1.00 0.00 C ATOM 887 OH TYR A 62 -4.895 -0.198 12.434 1.00 0.00 O ATOM 0 H TYR A 62 0.983 1.178 8.524 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.162 -1.514 8.936 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.149 1.083 7.776 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.815 -0.416 7.159 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.074 -2.132 9.491 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.723 2.069 9.192 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.616 -2.236 11.399 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.262 1.968 11.102 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.240 0.699 12.625 1.00 0.00 H new ATOM 897 N ARG A 63 1.127 -2.377 6.991 1.00 0.00 N ATOM 898 CA ARG A 63 1.717 -2.976 5.801 1.00 0.00 C ATOM 899 C ARG A 63 0.660 -3.206 4.725 1.00 0.00 C ATOM 900 O ARG A 63 0.003 -4.246 4.698 1.00 0.00 O ATOM 901 CB ARG A 63 2.396 -4.301 6.154 1.00 0.00 C ATOM 902 CG ARG A 63 3.581 -4.635 5.263 1.00 0.00 C ATOM 903 CD ARG A 63 4.103 -6.038 5.532 1.00 0.00 C ATOM 904 NE ARG A 63 4.697 -6.155 6.861 1.00 0.00 N ATOM 905 CZ ARG A 63 5.518 -7.137 7.215 1.00 0.00 C ATOM 906 NH1 ARG A 63 5.841 -8.083 6.343 1.00 0.00 N ATOM 907 NH2 ARG A 63 6.019 -7.176 8.443 1.00 0.00 N ATOM 0 H ARG A 63 1.172 -2.963 7.825 1.00 0.00 H new ATOM 0 HA ARG A 63 2.464 -2.285 5.410 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.731 -4.263 7.191 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.663 -5.105 6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.286 -4.550 4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.378 -3.911 5.430 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.286 -6.753 5.436 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.846 -6.299 4.778 1.00 0.00 H new ATOM 0 HE ARG A 63 4.469 -5.444 7.555 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.459 -8.057 5.398 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.472 -8.836 6.618 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.774 -6.451 9.117 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.649 -7.931 8.713 1.00 0.00 H new ATOM 921 N GLY A 64 0.500 -2.226 3.841 1.00 0.00 N ATOM 922 CA GLY A 64 -0.480 -2.340 2.776 1.00 0.00 C ATOM 923 C GLY A 64 0.145 -2.233 1.400 1.00 0.00 C ATOM 924 O GLY A 64 1.279 -1.777 1.260 1.00 0.00 O ATOM 0 H GLY A 64 1.031 -1.355 3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.998 -3.295 2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.231 -1.559 2.892 1.00 0.00 H new ATOM 928 N GLU A 65 -0.596 -2.658 0.380 1.00 0.00 N ATOM 929 CA GLU A 65 -0.105 -2.610 -0.992 1.00 0.00 C ATOM 930 C GLU A 65 -0.872 -1.573 -1.808 1.00 0.00 C ATOM 931 O GLU A 65 -2.103 -1.544 -1.797 1.00 0.00 O ATOM 932 CB GLU A 65 -0.228 -3.986 -1.649 1.00 0.00 C ATOM 933 CG GLU A 65 0.279 -4.024 -3.081 1.00 0.00 C ATOM 934 CD GLU A 65 0.581 -5.432 -3.555 1.00 0.00 C ATOM 935 OE1 GLU A 65 -0.250 -6.332 -3.310 1.00 0.00 O ATOM 936 OE2 GLU A 65 1.648 -5.636 -4.172 1.00 0.00 O ATOM 0 H GLU A 65 -1.537 -3.039 0.479 1.00 0.00 H new ATOM 0 HA GLU A 65 0.946 -2.321 -0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.327 -4.713 -1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.273 -4.294 -1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.466 -3.575 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.181 -3.417 -3.160 1.00 0.00 H new ATOM 943 N THR A 66 -0.135 -0.723 -2.516 1.00 0.00 N ATOM 944 CA THR A 66 -0.744 0.316 -3.337 1.00 0.00 C ATOM 945 C THR A 66 0.107 0.615 -4.566 1.00 0.00 C ATOM 946 O THR A 66 1.336 0.550 -4.513 1.00 0.00 O ATOM 947 CB THR A 66 -0.945 1.618 -2.537 1.00 0.00 C ATOM 948 OG1 THR A 66 -1.650 2.577 -3.333 1.00 0.00 O ATOM 949 CG2 THR A 66 0.392 2.197 -2.100 1.00 0.00 C ATOM 0 H THR A 66 0.885 -0.734 -2.537 1.00 0.00 H new ATOM 0 HA THR A 66 -1.716 -0.061 -3.654 1.00 0.00 H new ATOM 0 HB THR A 66 -1.529 1.386 -1.647 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.509 2.785 -2.910 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.224 3.115 -1.537 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.913 1.475 -1.470 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.999 2.416 -2.979 1.00 0.00 H new ATOM 957 N CYS A 67 -0.553 0.944 -5.670 1.00 0.00 N ATOM 958 CA CYS A 67 0.143 1.253 -6.914 1.00 0.00 C ATOM 959 C CYS A 67 1.218 0.211 -7.209 1.00 0.00 C ATOM 960 O CYS A 67 2.362 0.552 -7.507 1.00 0.00 O ATOM 961 CB CYS A 67 0.773 2.645 -6.838 1.00 0.00 C ATOM 962 SG CYS A 67 -0.339 3.986 -7.322 1.00 0.00 S ATOM 0 H CYS A 67 -1.570 1.004 -5.730 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.587 1.236 -7.724 1.00 0.00 H new ATOM 0 HB2 CYS A 67 1.116 2.822 -5.819 1.00 0.00 H new ATOM 0 HB3 CYS A 67 1.654 2.669 -7.479 1.00 0.00 H new ATOM 0 HG CYS A 67 0.283 5.123 -7.223 1.00 0.00 H new ATOM 968 N ALA A 68 0.841 -1.060 -7.123 1.00 0.00 N ATOM 969 CA ALA A 68 1.771 -2.152 -7.381 1.00 0.00 C ATOM 970 C ALA A 68 3.024 -2.021 -6.522 1.00 0.00 C ATOM 971 O ALA A 68 4.098 -2.490 -6.897 1.00 0.00 O ATOM 972 CB ALA A 68 2.143 -2.191 -8.856 1.00 0.00 C ATOM 0 H ALA A 68 -0.103 -1.359 -6.877 1.00 0.00 H new ATOM 0 HA ALA A 68 1.277 -3.087 -7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.838 -3.011 -9.034 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.244 -2.341 -9.454 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.614 -1.249 -9.138 1.00 0.00 H new ATOM 978 N ARG A 69 2.879 -1.379 -5.367 1.00 0.00 N ATOM 979 CA ARG A 69 3.999 -1.184 -4.455 1.00 0.00 C ATOM 980 C ARG A 69 3.651 -1.675 -3.053 1.00 0.00 C ATOM 981 O ARG A 69 2.521 -1.514 -2.590 1.00 0.00 O ATOM 982 CB ARG A 69 4.394 0.293 -4.406 1.00 0.00 C ATOM 983 CG ARG A 69 5.753 0.539 -3.773 1.00 0.00 C ATOM 984 CD ARG A 69 6.403 1.800 -4.322 1.00 0.00 C ATOM 985 NE ARG A 69 7.209 1.527 -5.509 1.00 0.00 N ATOM 986 CZ ARG A 69 8.437 1.021 -5.464 1.00 0.00 C ATOM 987 NH1 ARG A 69 8.996 0.733 -4.297 1.00 0.00 N ATOM 988 NH2 ARG A 69 9.107 0.800 -6.588 1.00 0.00 N ATOM 0 H ARG A 69 1.996 -0.985 -5.041 1.00 0.00 H new ATOM 0 HA ARG A 69 4.842 -1.766 -4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.397 0.693 -5.420 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.637 0.844 -3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.642 0.627 -2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.402 -0.317 -3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.631 2.529 -4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.031 2.249 -3.552 1.00 0.00 H new ATOM 0 HE ARG A 69 6.807 1.736 -6.423 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.483 0.900 -3.431 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.939 0.345 -4.265 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.680 1.019 -7.488 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.049 0.412 -6.552 1.00 0.00 H new ATOM 1002 N LEU A 70 4.628 -2.275 -2.382 1.00 0.00 N ATOM 1003 CA LEU A 70 4.425 -2.791 -1.033 1.00 0.00 C ATOM 1004 C LEU A 70 5.348 -2.093 -0.039 1.00 0.00 C ATOM 1005 O LEU A 70 6.554 -1.995 -0.259 1.00 0.00 O ATOM 1006 CB LEU A 70 4.670 -4.300 -1.000 1.00 0.00 C ATOM 1007 CG LEU A 70 3.820 -5.097 -0.010 1.00 0.00 C ATOM 1008 CD1 LEU A 70 3.432 -4.231 1.178 1.00 0.00 C ATOM 1009 CD2 LEU A 70 2.580 -5.650 -0.696 1.00 0.00 C ATOM 0 H LEU A 70 5.569 -2.416 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 70 3.393 -2.591 -0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.496 -4.698 -2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.721 -4.472 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 70 4.413 -5.935 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.827 -4.815 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.332 -3.884 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.858 -3.372 0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.987 -6.214 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.985 -4.827 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.879 -6.306 -1.514 1.00 0.00 H new ATOM 1021 N GLY A 71 4.772 -1.611 1.059 1.00 0.00 N ATOM 1022 CA GLY A 71 5.558 -0.930 2.071 1.00 0.00 C ATOM 1023 C GLY A 71 4.772 -0.680 3.343 1.00 0.00 C ATOM 1024 O GLY A 71 3.758 -1.332 3.594 1.00 0.00 O ATOM 0 H GLY A 71 3.775 -1.680 1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.440 -1.526 2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.912 0.021 1.673 1.00 0.00 H new ATOM 1028 N LEU A 72 5.242 0.264 4.151 1.00 0.00 N ATOM 1029 CA LEU A 72 4.578 0.598 5.406 1.00 0.00 C ATOM 1030 C LEU A 72 3.753 1.874 5.263 1.00 0.00 C ATOM 1031 O LEU A 72 4.123 2.784 4.520 1.00 0.00 O ATOM 1032 CB LEU A 72 5.609 0.767 6.523 1.00 0.00 C ATOM 1033 CG LEU A 72 6.537 -0.425 6.764 1.00 0.00 C ATOM 1034 CD1 LEU A 72 7.556 -0.097 7.845 1.00 0.00 C ATOM 1035 CD2 LEU A 72 5.732 -1.659 7.144 1.00 0.00 C ATOM 0 H LEU A 72 6.081 0.812 3.959 1.00 0.00 H new ATOM 0 HA LEU A 72 3.906 -0.221 5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.222 1.639 6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.079 0.983 7.451 1.00 0.00 H new ATOM 0 HG LEU A 72 7.074 -0.637 5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.208 -0.956 8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.154 0.760 7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.037 0.141 8.774 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.408 -2.497 7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.169 -1.459 8.055 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.042 -1.906 6.337 1.00 0.00 H new ATOM 1047 N ILE A 73 2.637 1.934 5.980 1.00 0.00 N ATOM 1048 CA ILE A 73 1.762 3.099 5.936 1.00 0.00 C ATOM 1049 C ILE A 73 1.518 3.656 7.334 1.00 0.00 C ATOM 1050 O ILE A 73 1.155 2.934 8.262 1.00 0.00 O ATOM 1051 CB ILE A 73 0.407 2.761 5.286 1.00 0.00 C ATOM 1052 CG1 ILE A 73 0.591 2.464 3.796 1.00 0.00 C ATOM 1053 CG2 ILE A 73 -0.576 3.906 5.485 1.00 0.00 C ATOM 1054 CD1 ILE A 73 1.048 1.050 3.514 1.00 0.00 C ATOM 0 H ILE A 73 2.317 1.189 6.599 1.00 0.00 H new ATOM 0 HA ILE A 73 2.268 3.851 5.331 1.00 0.00 H new ATOM 0 HB ILE A 73 0.002 1.871 5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.352 2.642 3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.319 3.162 3.382 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.529 3.652 5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.726 4.076 6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.178 4.811 5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.157 0.911 2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.006 0.873 4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.310 0.346 3.898 1.00 0.00 H new ATOM 1066 N PRO A 74 1.719 4.973 7.489 1.00 0.00 N ATOM 1067 CA PRO A 74 1.524 5.658 8.770 1.00 0.00 C ATOM 1068 C PRO A 74 0.054 5.737 9.168 1.00 0.00 C ATOM 1069 O PRO A 74 -0.705 6.538 8.620 1.00 0.00 O ATOM 1070 CB PRO A 74 2.084 7.059 8.512 1.00 0.00 C ATOM 1071 CG PRO A 74 1.956 7.253 7.041 1.00 0.00 C ATOM 1072 CD PRO A 74 2.152 5.895 6.426 1.00 0.00 C ATOM 0 HA PRO A 74 2.012 5.133 9.591 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.525 7.816 9.061 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.123 7.135 8.832 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.978 7.660 6.785 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.701 7.959 6.674 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.556 5.774 5.522 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.192 5.727 6.147 1.00 0.00 H new ATOM 1080 N CYS A 75 -0.341 4.903 10.123 1.00 0.00 N ATOM 1081 CA CYS A 75 -1.721 4.878 10.594 1.00 0.00 C ATOM 1082 C CYS A 75 -2.158 6.259 11.071 1.00 0.00 C ATOM 1083 O CYS A 75 -3.347 6.575 11.085 1.00 0.00 O ATOM 1084 CB CYS A 75 -1.878 3.861 11.725 1.00 0.00 C ATOM 1085 SG CYS A 75 -3.455 3.970 12.602 1.00 0.00 S ATOM 0 H CYS A 75 0.275 4.235 10.587 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.358 4.583 9.760 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.772 2.857 11.314 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.067 4.000 12.440 1.00 0.00 H new ATOM 0 HG CYS A 75 -4.032 5.100 12.318 1.00 0.00 H new ATOM 1091 N ASN A 76 -1.187 7.078 11.463 1.00 0.00 N ATOM 1092 CA ASN A 76 -1.471 8.425 11.944 1.00 0.00 C ATOM 1093 C ASN A 76 -1.945 9.321 10.803 1.00 0.00 C ATOM 1094 O ASN A 76 -2.627 10.321 11.028 1.00 0.00 O ATOM 1095 CB ASN A 76 -0.227 9.029 12.598 1.00 0.00 C ATOM 1096 CG ASN A 76 -0.185 10.540 12.475 1.00 0.00 C ATOM 1097 OD1 ASN A 76 0.198 11.079 11.436 1.00 0.00 O ATOM 1098 ND2 ASN A 76 -0.579 11.231 13.538 1.00 0.00 N ATOM 0 H ASN A 76 -0.197 6.832 11.457 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.267 8.359 12.686 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.203 8.752 13.652 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.665 8.605 12.137 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.572 12.251 13.515 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.889 10.742 14.378 1.00 0.00 H new ATOM 1105 N MET A 77 -1.580 8.954 9.579 1.00 0.00 N ATOM 1106 CA MET A 77 -1.969 9.724 8.403 1.00 0.00 C ATOM 1107 C MET A 77 -3.243 9.159 7.781 1.00 0.00 C ATOM 1108 O MET A 77 -4.282 9.818 7.765 1.00 0.00 O ATOM 1109 CB MET A 77 -0.840 9.723 7.370 1.00 0.00 C ATOM 1110 CG MET A 77 0.493 10.196 7.927 1.00 0.00 C ATOM 1111 SD MET A 77 0.697 11.984 7.818 1.00 0.00 S ATOM 1112 CE MET A 77 0.904 12.193 6.051 1.00 0.00 C ATOM 0 H MET A 77 -1.016 8.129 9.376 1.00 0.00 H new ATOM 0 HA MET A 77 -2.163 10.749 8.718 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.722 8.714 6.974 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.123 10.363 6.534 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.577 9.888 8.969 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.303 9.708 7.384 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.431 13.127 5.854 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.481 11.359 5.651 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.074 12.221 5.571 1.00 0.00 H new ATOM 1122 N VAL A 78 -3.154 7.936 7.269 1.00 0.00 N ATOM 1123 CA VAL A 78 -4.300 7.282 6.647 1.00 0.00 C ATOM 1124 C VAL A 78 -5.446 7.121 7.639 1.00 0.00 C ATOM 1125 O VAL A 78 -5.310 7.445 8.819 1.00 0.00 O ATOM 1126 CB VAL A 78 -3.921 5.898 6.088 1.00 0.00 C ATOM 1127 CG1 VAL A 78 -3.136 6.042 4.793 1.00 0.00 C ATOM 1128 CG2 VAL A 78 -3.128 5.107 7.117 1.00 0.00 C ATOM 0 H VAL A 78 -2.300 7.378 7.272 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.622 7.922 5.825 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.838 5.350 5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.877 5.054 4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.744 6.567 4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.224 6.609 4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.869 4.132 6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.216 5.649 7.369 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.730 4.973 8.016 1.00 0.00 H new ATOM 1138 N SER A 79 -6.576 6.618 7.153 1.00 0.00 N ATOM 1139 CA SER A 79 -7.748 6.416 7.996 1.00 0.00 C ATOM 1140 C SER A 79 -8.555 5.209 7.526 1.00 0.00 C ATOM 1141 O SER A 79 -8.498 4.829 6.357 1.00 0.00 O ATOM 1142 CB SER A 79 -8.630 7.667 7.988 1.00 0.00 C ATOM 1143 OG SER A 79 -9.556 7.645 9.060 1.00 0.00 O ATOM 0 H SER A 79 -6.705 6.343 6.179 1.00 0.00 H new ATOM 0 HA SER A 79 -7.405 6.228 9.013 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.005 8.557 8.062 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.166 7.732 7.041 1.00 0.00 H new ATOM 0 HG SER A 79 -10.106 8.456 9.034 1.00 0.00 H new ATOM 1149 N GLU A 80 -9.305 4.612 8.447 1.00 0.00 N ATOM 1150 CA GLU A 80 -10.122 3.447 8.127 1.00 0.00 C ATOM 1151 C GLU A 80 -11.424 3.865 7.450 1.00 0.00 C ATOM 1152 O GLU A 80 -12.119 4.766 7.920 1.00 0.00 O ATOM 1153 CB GLU A 80 -10.428 2.648 9.395 1.00 0.00 C ATOM 1154 CG GLU A 80 -11.179 1.353 9.132 1.00 0.00 C ATOM 1155 CD GLU A 80 -11.399 0.540 10.393 1.00 0.00 C ATOM 1156 OE1 GLU A 80 -11.593 1.148 11.466 1.00 0.00 O ATOM 1157 OE2 GLU A 80 -11.376 -0.706 10.305 1.00 0.00 O ATOM 0 H GLU A 80 -9.364 4.915 9.419 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.559 2.819 7.437 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.492 2.418 9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.016 3.268 10.072 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.144 1.582 8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.622 0.755 8.411 1.00 0.00 H new ATOM 1164 N ILE A 81 -11.746 3.206 6.342 1.00 0.00 N ATOM 1165 CA ILE A 81 -12.963 3.508 5.600 1.00 0.00 C ATOM 1166 C ILE A 81 -14.127 2.648 6.080 1.00 0.00 C ATOM 1167 O ILE A 81 -15.210 3.156 6.367 1.00 0.00 O ATOM 1168 CB ILE A 81 -12.769 3.293 4.088 1.00 0.00 C ATOM 1169 CG1 ILE A 81 -11.466 3.944 3.621 1.00 0.00 C ATOM 1170 CG2 ILE A 81 -13.954 3.855 3.316 1.00 0.00 C ATOM 1171 CD1 ILE A 81 -11.272 3.901 2.121 1.00 0.00 C ATOM 0 H ILE A 81 -11.180 2.459 5.939 1.00 0.00 H new ATOM 0 HA ILE A 81 -13.191 4.558 5.782 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.708 2.222 3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.449 4.983 3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.626 3.443 4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -13.802 3.695 2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.867 3.350 3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.044 4.923 3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -10.328 4.380 1.862 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -11.256 2.864 1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -12.092 4.428 1.633 1.00 0.00 H new ATOM 1183 N GLN A 82 -13.895 1.342 6.164 1.00 0.00 N ATOM 1184 CA GLN A 82 -14.924 0.410 6.610 1.00 0.00 C ATOM 1185 C GLN A 82 -14.469 -0.352 7.850 1.00 0.00 C ATOM 1186 O GLN A 82 -13.296 -0.703 7.979 1.00 0.00 O ATOM 1187 CB GLN A 82 -15.272 -0.573 5.491 1.00 0.00 C ATOM 1188 CG GLN A 82 -16.221 -0.001 4.452 1.00 0.00 C ATOM 1189 CD GLN A 82 -16.574 -1.002 3.369 1.00 0.00 C ATOM 1190 OE1 GLN A 82 -15.850 -1.149 2.384 1.00 0.00 O ATOM 1191 NE2 GLN A 82 -17.691 -1.698 3.547 1.00 0.00 N ATOM 0 H GLN A 82 -13.004 0.905 5.929 1.00 0.00 H new ATOM 0 HA GLN A 82 -15.813 0.986 6.867 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -14.353 -0.888 4.997 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.721 -1.465 5.929 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.134 0.333 4.945 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -15.766 0.878 3.995 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -18.261 -1.544 4.379 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -17.979 -2.387 2.852 1.00 0.00 H new ATOM 1200 N ALA A 83 -15.404 -0.604 8.761 1.00 0.00 N ATOM 1201 CA ALA A 83 -15.098 -1.326 9.989 1.00 0.00 C ATOM 1202 C ALA A 83 -16.145 -2.399 10.271 1.00 0.00 C ATOM 1203 O ALA A 83 -17.136 -2.516 9.550 1.00 0.00 O ATOM 1204 CB ALA A 83 -15.003 -0.359 11.160 1.00 0.00 C ATOM 0 H ALA A 83 -16.379 -0.319 8.671 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.135 -1.820 9.860 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.774 -0.912 12.071 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -14.214 0.368 10.969 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.953 0.161 11.281 1.00 0.00 H new ATOM 1210 N ASP A 84 -15.919 -3.179 11.322 1.00 0.00 N ATOM 1211 CA ASP A 84 -16.843 -4.242 11.698 1.00 0.00 C ATOM 1212 C ASP A 84 -17.195 -4.156 13.180 1.00 0.00 C ATOM 1213 O ASP A 84 -17.448 -5.171 13.828 1.00 0.00 O ATOM 1214 CB ASP A 84 -16.236 -5.610 11.385 1.00 0.00 C ATOM 1215 CG ASP A 84 -17.290 -6.654 11.074 1.00 0.00 C ATOM 1216 OD1 ASP A 84 -18.406 -6.552 11.626 1.00 0.00 O ATOM 1217 OD2 ASP A 84 -16.999 -7.574 10.281 1.00 0.00 O ATOM 0 H ASP A 84 -15.104 -3.095 11.929 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.757 -4.117 11.117 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.559 -5.518 10.536 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -15.639 -5.942 12.234 1.00 0.00 H new ATOM 1222 N ASP A 85 -17.210 -2.937 13.710 1.00 0.00 N ATOM 1223 CA ASP A 85 -17.531 -2.718 15.115 1.00 0.00 C ATOM 1224 C ASP A 85 -18.285 -1.405 15.302 1.00 0.00 C ATOM 1225 O ASP A 85 -18.188 -0.500 14.474 1.00 0.00 O ATOM 1226 CB ASP A 85 -16.255 -2.712 15.957 1.00 0.00 C ATOM 1227 CG ASP A 85 -16.536 -2.893 17.436 1.00 0.00 C ATOM 1228 OD1 ASP A 85 -16.617 -4.055 17.887 1.00 0.00 O ATOM 1229 OD2 ASP A 85 -16.674 -1.873 18.142 1.00 0.00 O ATOM 0 H ASP A 85 -17.003 -2.086 13.187 1.00 0.00 H new ATOM 0 HA ASP A 85 -18.172 -3.535 15.447 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.594 -3.509 15.616 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.726 -1.771 15.803 1.00 0.00 H new ATOM 1234 N GLU A 86 -19.036 -1.310 16.395 1.00 0.00 N ATOM 1235 CA GLU A 86 -19.807 -0.108 16.688 1.00 0.00 C ATOM 1236 C GLU A 86 -18.969 1.147 16.456 1.00 0.00 C ATOM 1237 O GLU A 86 -17.859 1.267 16.973 1.00 0.00 O ATOM 1238 CB GLU A 86 -20.311 -0.138 18.133 1.00 0.00 C ATOM 1239 CG GLU A 86 -21.425 -1.144 18.368 1.00 0.00 C ATOM 1240 CD GLU A 86 -21.965 -1.096 19.784 1.00 0.00 C ATOM 1241 OE1 GLU A 86 -22.057 0.015 20.346 1.00 0.00 O ATOM 1242 OE2 GLU A 86 -22.294 -2.170 20.331 1.00 0.00 O ATOM 0 H GLU A 86 -19.127 -2.050 17.091 1.00 0.00 H new ATOM 0 HA GLU A 86 -20.662 -0.083 16.013 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -19.477 -0.371 18.795 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -20.667 0.856 18.406 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -22.237 -0.952 17.667 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -21.054 -2.147 18.158 1.00 0.00 H new ATOM 1249 N GLU A 87 -19.510 2.077 15.676 1.00 0.00 N ATOM 1250 CA GLU A 87 -18.812 3.321 15.375 1.00 0.00 C ATOM 1251 C GLU A 87 -19.559 4.518 15.955 1.00 0.00 C ATOM 1252 O GLU A 87 -20.431 5.093 15.305 1.00 0.00 O ATOM 1253 CB GLU A 87 -18.653 3.489 13.862 1.00 0.00 C ATOM 1254 CG GLU A 87 -17.896 4.746 13.465 1.00 0.00 C ATOM 1255 CD GLU A 87 -16.489 4.781 14.029 1.00 0.00 C ATOM 1256 OE1 GLU A 87 -16.345 4.969 15.255 1.00 0.00 O ATOM 1257 OE2 GLU A 87 -15.532 4.621 13.243 1.00 0.00 O ATOM 0 H GLU A 87 -20.429 1.993 15.241 1.00 0.00 H new ATOM 0 HA GLU A 87 -17.824 3.274 15.834 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -18.132 2.619 13.461 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -19.641 3.509 13.401 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -17.850 4.810 12.378 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.445 5.621 13.812 1.00 0.00 H new ATOM 1264 N MET A 88 -19.210 4.888 17.183 1.00 0.00 N ATOM 1265 CA MET A 88 -19.847 6.017 17.851 1.00 0.00 C ATOM 1266 C MET A 88 -19.594 7.313 17.088 1.00 0.00 C ATOM 1267 O MET A 88 -18.563 7.468 16.433 1.00 0.00 O ATOM 1268 CB MET A 88 -19.329 6.146 19.285 1.00 0.00 C ATOM 1269 CG MET A 88 -17.868 6.558 19.368 1.00 0.00 C ATOM 1270 SD MET A 88 -17.287 6.717 21.068 1.00 0.00 S ATOM 1271 CE MET A 88 -18.275 8.099 21.635 1.00 0.00 C ATOM 0 H MET A 88 -18.490 4.423 17.735 1.00 0.00 H new ATOM 0 HA MET A 88 -20.921 5.834 17.875 1.00 0.00 H new ATOM 0 HB2 MET A 88 -19.936 6.879 19.817 1.00 0.00 H new ATOM 0 HB3 MET A 88 -19.459 5.192 19.797 1.00 0.00 H new ATOM 0 HG2 MET A 88 -17.257 5.822 18.847 1.00 0.00 H new ATOM 0 HG3 MET A 88 -17.732 7.508 18.851 1.00 0.00 H new ATOM 0 HE1 MET A 88 -17.825 8.524 22.533 1.00 0.00 H new ATOM 0 HE2 MET A 88 -18.318 8.860 20.856 1.00 0.00 H new ATOM 0 HE3 MET A 88 -19.284 7.756 21.862 1.00 0.00 H new ATOM 1281 N MET A 89 -20.542 8.240 17.175 1.00 0.00 N ATOM 1282 CA MET A 89 -20.420 9.524 16.493 1.00 0.00 C ATOM 1283 C MET A 89 -20.535 10.679 17.483 1.00 0.00 C ATOM 1284 O MET A 89 -21.238 10.580 18.488 1.00 0.00 O ATOM 1285 CB MET A 89 -21.495 9.654 15.412 1.00 0.00 C ATOM 1286 CG MET A 89 -21.219 8.816 14.175 1.00 0.00 C ATOM 1287 SD MET A 89 -20.252 9.701 12.937 1.00 0.00 S ATOM 1288 CE MET A 89 -18.602 9.114 13.313 1.00 0.00 C ATOM 0 H MET A 89 -21.403 8.127 17.710 1.00 0.00 H new ATOM 0 HA MET A 89 -19.436 9.567 16.025 1.00 0.00 H new ATOM 0 HB2 MET A 89 -22.457 9.361 15.832 1.00 0.00 H new ATOM 0 HB3 MET A 89 -21.580 10.701 15.120 1.00 0.00 H new ATOM 0 HG2 MET A 89 -20.687 7.910 14.466 1.00 0.00 H new ATOM 0 HG3 MET A 89 -22.166 8.503 13.735 1.00 0.00 H new ATOM 0 HE1 MET A 89 -17.982 9.173 12.418 1.00 0.00 H new ATOM 0 HE2 MET A 89 -18.166 9.732 14.098 1.00 0.00 H new ATOM 0 HE3 MET A 89 -18.652 8.079 13.652 1.00 0.00 H new ATOM 1298 N ASP A 90 -19.839 11.772 17.192 1.00 0.00 N ATOM 1299 CA ASP A 90 -19.863 12.946 18.056 1.00 0.00 C ATOM 1300 C ASP A 90 -21.277 13.507 18.172 1.00 0.00 C ATOM 1301 O ASP A 90 -22.197 13.038 17.502 1.00 0.00 O ATOM 1302 CB ASP A 90 -18.917 14.021 17.518 1.00 0.00 C ATOM 1303 CG ASP A 90 -19.464 14.707 16.281 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -20.229 15.681 16.432 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -19.127 14.267 15.161 1.00 0.00 O ATOM 0 H ASP A 90 -19.251 11.870 16.364 1.00 0.00 H new ATOM 0 HA ASP A 90 -19.529 12.643 19.048 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -18.739 14.765 18.294 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -17.954 13.569 17.283 1.00 0.00 H new ATOM 1310 N GLN A 91 -21.442 14.511 19.027 1.00 0.00 N ATOM 1311 CA GLN A 91 -22.744 15.133 19.232 1.00 0.00 C ATOM 1312 C GLN A 91 -22.644 16.652 19.132 1.00 0.00 C ATOM 1313 O GLN A 91 -22.164 17.314 20.052 1.00 0.00 O ATOM 1314 CB GLN A 91 -23.314 14.736 20.594 1.00 0.00 C ATOM 1315 CG GLN A 91 -24.832 14.796 20.660 1.00 0.00 C ATOM 1316 CD GLN A 91 -25.486 13.504 20.211 1.00 0.00 C ATOM 1317 OE1 GLN A 91 -24.816 12.587 19.738 1.00 0.00 O ATOM 1318 NE2 GLN A 91 -26.804 13.426 20.358 1.00 0.00 N ATOM 0 H GLN A 91 -20.690 14.911 19.589 1.00 0.00 H new ATOM 0 HA GLN A 91 -23.414 14.779 18.449 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -22.988 13.724 20.834 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -22.899 15.394 21.358 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -25.139 15.018 21.682 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -25.187 15.615 20.035 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -27.320 14.211 20.755 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -27.300 12.581 20.074 1.00 0.00 H new ATOM 1327 N SER A 92 -23.099 17.198 18.009 1.00 0.00 N ATOM 1328 CA SER A 92 -23.056 18.638 17.787 1.00 0.00 C ATOM 1329 C SER A 92 -24.404 19.151 17.287 1.00 0.00 C ATOM 1330 O SER A 92 -24.658 19.191 16.084 1.00 0.00 O ATOM 1331 CB SER A 92 -21.959 18.988 16.780 1.00 0.00 C ATOM 1332 OG SER A 92 -22.020 20.356 16.414 1.00 0.00 O ATOM 0 H SER A 92 -23.502 16.664 17.239 1.00 0.00 H new ATOM 0 HA SER A 92 -22.833 19.121 18.738 1.00 0.00 H new ATOM 0 HB2 SER A 92 -20.982 18.767 17.210 1.00 0.00 H new ATOM 0 HB3 SER A 92 -22.065 18.366 15.891 1.00 0.00 H new ATOM 0 HG SER A 92 -21.308 20.555 15.771 1.00 0.00 H new ATOM 1338 N GLY A 93 -25.264 19.543 18.222 1.00 0.00 N ATOM 1339 CA GLY A 93 -26.575 20.048 17.858 1.00 0.00 C ATOM 1340 C GLY A 93 -26.500 21.212 16.890 1.00 0.00 C ATOM 1341 O GLY A 93 -25.578 22.026 16.936 1.00 0.00 O ATOM 0 H GLY A 93 -25.076 19.520 19.224 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -27.159 19.244 17.410 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -27.103 20.362 18.759 1.00 0.00 H new ATOM 1345 N PRO A 94 -27.489 21.302 15.988 1.00 0.00 N ATOM 1346 CA PRO A 94 -27.552 22.371 14.987 1.00 0.00 C ATOM 1347 C PRO A 94 -27.864 23.728 15.608 1.00 0.00 C ATOM 1348 O PRO A 94 -27.319 24.751 15.192 1.00 0.00 O ATOM 1349 CB PRO A 94 -28.694 21.928 14.068 1.00 0.00 C ATOM 1350 CG PRO A 94 -29.552 21.060 14.921 1.00 0.00 C ATOM 1351 CD PRO A 94 -28.620 20.366 15.876 1.00 0.00 C ATOM 0 HA PRO A 94 -26.600 22.506 14.473 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -29.251 22.784 13.688 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -28.317 21.384 13.202 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -30.293 21.652 15.459 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -30.100 20.337 14.316 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -29.093 20.189 16.842 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -28.303 19.396 15.494 1.00 0.00 H new ATOM 1359 N SER A 95 -28.742 23.730 16.605 1.00 0.00 N ATOM 1360 CA SER A 95 -29.128 24.963 17.281 1.00 0.00 C ATOM 1361 C SER A 95 -27.917 25.864 17.502 1.00 0.00 C ATOM 1362 O SER A 95 -27.082 25.599 18.367 1.00 0.00 O ATOM 1363 CB SER A 95 -29.794 24.648 18.622 1.00 0.00 C ATOM 1364 OG SER A 95 -29.994 25.827 19.382 1.00 0.00 O ATOM 0 H SER A 95 -29.200 22.892 16.963 1.00 0.00 H new ATOM 0 HA SER A 95 -29.839 25.489 16.644 1.00 0.00 H new ATOM 0 HB2 SER A 95 -30.751 24.156 18.449 1.00 0.00 H new ATOM 0 HB3 SER A 95 -29.174 23.950 19.184 1.00 0.00 H new ATOM 0 HG SER A 95 -30.422 25.599 20.233 1.00 0.00 H new ATOM 1370 N SER A 96 -27.828 26.930 16.713 1.00 0.00 N ATOM 1371 CA SER A 96 -26.718 27.869 16.818 1.00 0.00 C ATOM 1372 C SER A 96 -27.117 29.244 16.291 1.00 0.00 C ATOM 1373 O SER A 96 -28.204 29.419 15.742 1.00 0.00 O ATOM 1374 CB SER A 96 -25.505 27.346 16.045 1.00 0.00 C ATOM 1375 OG SER A 96 -25.679 27.513 14.649 1.00 0.00 O ATOM 0 H SER A 96 -28.512 27.165 15.994 1.00 0.00 H new ATOM 0 HA SER A 96 -26.455 27.966 17.871 1.00 0.00 H new ATOM 0 HB2 SER A 96 -24.608 27.874 16.369 1.00 0.00 H new ATOM 0 HB3 SER A 96 -25.353 26.291 16.272 1.00 0.00 H new ATOM 0 HG SER A 96 -24.890 27.173 14.178 1.00 0.00 H new ATOM 1381 N GLY A 97 -26.227 30.217 16.461 1.00 0.00 N ATOM 1382 CA GLY A 97 -26.504 31.565 15.998 1.00 0.00 C ATOM 1383 C GLY A 97 -25.380 32.129 15.153 1.00 0.00 C ATOM 1384 O GLY A 97 -25.535 32.315 13.946 1.00 0.00 O ATOM 0 H GLY A 97 -25.320 30.096 16.911 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -27.426 31.564 15.417 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -26.669 32.214 16.858 1.00 0.00 H new TER 1388 GLY A 97