USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 776 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 NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 90 GLN : amide:sc= -0.0515 K(o=-0.052,f=-0.82) USER MOD Set 1.2: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 57 HIS : no HD1:sc= -6.26! C(o=-6.3!,f=-4.8!) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= -0.0225 USER MOD Set 3.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0547 (180deg=0) USER MOD Single : A 2 SER OG : rot 9:sc= 1.18 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -11:sc= 0.951 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 14:sc= 0.862 USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0108) USER MOD Single : A 20 TYR OH : rot -5:sc= 0.382 USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0131) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 46:sc= 0.775 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -85:sc= 0.821 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 146:sc= -0.468 (180deg=-2.04!) USER MOD Single : A 47 GLN : amide:sc= -4.71! C(o=-4.7!,f=-11!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.191 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= -0.0476 (180deg=-0.347) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.0816 K(o=0.082,f=-0.74) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 72:sc= 0.234 USER MOD Single : A 101 SER OG : rot 15:sc= 0.865 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.630 20.778 29.314 1.00 0.00 N ATOM 2 CA GLY A 1 -4.793 21.251 28.226 1.00 0.00 C ATOM 3 C GLY A 1 -3.846 20.183 27.716 1.00 0.00 C ATOM 4 O GLY A 1 -4.090 18.990 27.898 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.630 20.931 29.074 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.462 19.763 29.465 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.398 21.301 30.183 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.426 21.592 27.407 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.216 22.112 28.563 1.00 0.00 H new ATOM 8 N SER A 2 -2.765 20.611 27.073 1.00 0.00 N ATOM 9 CA SER A 2 -1.781 19.682 26.530 1.00 0.00 C ATOM 10 C SER A 2 -0.474 20.401 26.210 1.00 0.00 C ATOM 11 O SER A 2 -0.408 21.630 26.225 1.00 0.00 O ATOM 12 CB SER A 2 -2.327 19.007 25.270 1.00 0.00 C ATOM 13 OG SER A 2 -3.263 17.996 25.598 1.00 0.00 O ATOM 0 H SER A 2 -2.548 21.595 26.915 1.00 0.00 H new ATOM 0 HA SER A 2 -1.581 18.921 27.284 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.801 19.752 24.631 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.505 18.575 24.700 1.00 0.00 H new ATOM 0 HG SER A 2 -3.469 18.039 26.555 1.00 0.00 H new ATOM 19 N SER A 3 0.566 19.624 25.919 1.00 0.00 N ATOM 20 CA SER A 3 1.873 20.185 25.599 1.00 0.00 C ATOM 21 C SER A 3 2.388 19.640 24.271 1.00 0.00 C ATOM 22 O SER A 3 1.829 18.694 23.717 1.00 0.00 O ATOM 23 CB SER A 3 2.873 19.872 26.714 1.00 0.00 C ATOM 24 OG SER A 3 2.825 20.855 27.734 1.00 0.00 O ATOM 0 H SER A 3 0.528 18.605 25.899 1.00 0.00 H new ATOM 0 HA SER A 3 1.765 21.266 25.511 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.654 18.892 27.138 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.880 19.822 26.300 1.00 0.00 H new ATOM 0 HG SER A 3 3.472 20.631 28.435 1.00 0.00 H new ATOM 30 N GLY A 4 3.458 20.245 23.764 1.00 0.00 N ATOM 31 CA GLY A 4 4.031 19.808 22.505 1.00 0.00 C ATOM 32 C GLY A 4 4.660 18.431 22.601 1.00 0.00 C ATOM 33 O GLY A 4 4.548 17.761 23.627 1.00 0.00 O ATOM 0 H GLY A 4 3.938 21.030 24.203 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.254 19.797 21.740 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.785 20.527 22.183 1.00 0.00 H new ATOM 37 N SER A 5 5.320 18.009 21.528 1.00 0.00 N ATOM 38 CA SER A 5 5.964 16.701 21.493 1.00 0.00 C ATOM 39 C SER A 5 7.046 16.656 20.418 1.00 0.00 C ATOM 40 O SER A 5 6.963 17.355 19.409 1.00 0.00 O ATOM 41 CB SER A 5 4.928 15.605 21.236 1.00 0.00 C ATOM 42 OG SER A 5 3.982 15.540 22.289 1.00 0.00 O ATOM 0 H SER A 5 5.423 18.553 20.671 1.00 0.00 H new ATOM 0 HA SER A 5 6.432 16.529 22.462 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.415 15.799 20.294 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.430 14.643 21.134 1.00 0.00 H new ATOM 0 HG SER A 5 4.291 16.088 23.041 1.00 0.00 H new ATOM 48 N SER A 6 8.062 15.828 20.643 1.00 0.00 N ATOM 49 CA SER A 6 9.163 15.694 19.697 1.00 0.00 C ATOM 50 C SER A 6 8.743 14.863 18.489 1.00 0.00 C ATOM 51 O SER A 6 7.631 14.339 18.438 1.00 0.00 O ATOM 52 CB SER A 6 10.373 15.051 20.377 1.00 0.00 C ATOM 53 OG SER A 6 10.021 13.821 20.986 1.00 0.00 O ATOM 0 H SER A 6 8.145 15.240 21.472 1.00 0.00 H new ATOM 0 HA SER A 6 9.437 16.691 19.353 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.161 14.885 19.643 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.776 15.730 21.128 1.00 0.00 H new ATOM 0 HG SER A 6 10.812 13.429 21.412 1.00 0.00 H new ATOM 59 N GLY A 7 9.642 14.746 17.516 1.00 0.00 N ATOM 60 CA GLY A 7 9.347 13.978 16.321 1.00 0.00 C ATOM 61 C GLY A 7 9.976 14.575 15.078 1.00 0.00 C ATOM 62 O GLY A 7 9.307 15.257 14.302 1.00 0.00 O ATOM 0 H GLY A 7 10.570 15.170 17.535 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.706 12.957 16.451 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.267 13.922 16.187 1.00 0.00 H new ATOM 66 N MET A 8 11.267 14.320 14.889 1.00 0.00 N ATOM 67 CA MET A 8 11.986 14.839 13.731 1.00 0.00 C ATOM 68 C MET A 8 11.261 14.482 12.437 1.00 0.00 C ATOM 69 O MET A 8 10.716 13.388 12.301 1.00 0.00 O ATOM 70 CB MET A 8 13.412 14.285 13.700 1.00 0.00 C ATOM 71 CG MET A 8 14.342 15.053 12.775 1.00 0.00 C ATOM 72 SD MET A 8 15.107 16.473 13.582 1.00 0.00 S ATOM 73 CE MET A 8 15.419 17.535 12.174 1.00 0.00 C ATOM 0 H MET A 8 11.836 13.758 15.522 1.00 0.00 H new ATOM 0 HA MET A 8 12.027 15.925 13.816 1.00 0.00 H new ATOM 0 HB2 MET A 8 13.822 14.302 14.710 1.00 0.00 H new ATOM 0 HB3 MET A 8 13.381 13.242 13.386 1.00 0.00 H new ATOM 0 HG2 MET A 8 15.121 14.383 12.412 1.00 0.00 H new ATOM 0 HG3 MET A 8 13.782 15.393 11.904 1.00 0.00 H new ATOM 0 HE1 MET A 8 15.892 18.457 12.512 1.00 0.00 H new ATOM 0 HE2 MET A 8 16.079 17.025 11.472 1.00 0.00 H new ATOM 0 HE3 MET A 8 14.476 17.770 11.680 1.00 0.00 H new ATOM 83 N ALA A 9 11.260 15.414 11.489 1.00 0.00 N ATOM 84 CA ALA A 9 10.603 15.197 10.206 1.00 0.00 C ATOM 85 C ALA A 9 11.144 13.948 9.517 1.00 0.00 C ATOM 86 O ALA A 9 12.300 13.575 9.708 1.00 0.00 O ATOM 87 CB ALA A 9 10.780 16.414 9.310 1.00 0.00 C ATOM 0 H ALA A 9 11.707 16.326 11.586 1.00 0.00 H new ATOM 0 HA ALA A 9 9.539 15.047 10.391 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.284 16.238 8.355 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.340 17.287 9.792 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.842 16.590 9.140 1.00 0.00 H new ATOM 93 N GLU A 10 10.298 13.306 8.717 1.00 0.00 N ATOM 94 CA GLU A 10 10.692 12.098 8.002 1.00 0.00 C ATOM 95 C GLU A 10 10.943 12.397 6.527 1.00 0.00 C ATOM 96 O GLU A 10 10.445 13.386 5.989 1.00 0.00 O ATOM 97 CB GLU A 10 9.612 11.023 8.140 1.00 0.00 C ATOM 98 CG GLU A 10 9.434 10.517 9.562 1.00 0.00 C ATOM 99 CD GLU A 10 10.499 9.515 9.963 1.00 0.00 C ATOM 100 OE1 GLU A 10 11.687 9.897 10.004 1.00 0.00 O ATOM 101 OE2 GLU A 10 10.143 8.350 10.235 1.00 0.00 O ATOM 0 H GLU A 10 9.337 13.602 8.548 1.00 0.00 H new ATOM 0 HA GLU A 10 11.619 11.730 8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.663 11.426 7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.863 10.182 7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.458 11.362 10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.451 10.055 9.659 1.00 0.00 H new ATOM 108 N SER A 11 11.719 11.534 5.878 1.00 0.00 N ATOM 109 CA SER A 11 12.040 11.707 4.467 1.00 0.00 C ATOM 110 C SER A 11 11.121 10.858 3.593 1.00 0.00 C ATOM 111 O SER A 11 11.532 9.828 3.058 1.00 0.00 O ATOM 112 CB SER A 11 13.500 11.332 4.205 1.00 0.00 C ATOM 113 OG SER A 11 14.033 12.079 3.125 1.00 0.00 O ATOM 0 H SER A 11 12.137 10.708 6.307 1.00 0.00 H new ATOM 0 HA SER A 11 11.890 12.756 4.211 1.00 0.00 H new ATOM 0 HB2 SER A 11 14.092 11.512 5.103 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.571 10.267 3.985 1.00 0.00 H new ATOM 0 HG SER A 11 14.967 11.822 2.979 1.00 0.00 H new ATOM 119 N SER A 12 9.876 11.300 3.452 1.00 0.00 N ATOM 120 CA SER A 12 8.896 10.581 2.646 1.00 0.00 C ATOM 121 C SER A 12 7.767 11.508 2.208 1.00 0.00 C ATOM 122 O SER A 12 6.953 11.942 3.023 1.00 0.00 O ATOM 123 CB SER A 12 8.325 9.400 3.434 1.00 0.00 C ATOM 124 OG SER A 12 7.462 9.846 4.466 1.00 0.00 O ATOM 0 H SER A 12 9.522 12.153 3.885 1.00 0.00 H new ATOM 0 HA SER A 12 9.400 10.205 1.755 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.780 8.738 2.760 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.140 8.817 3.863 1.00 0.00 H new ATOM 0 HG SER A 12 7.242 10.790 4.323 1.00 0.00 H new ATOM 130 N ASP A 13 7.725 11.808 0.914 1.00 0.00 N ATOM 131 CA ASP A 13 6.696 12.683 0.365 1.00 0.00 C ATOM 132 C ASP A 13 5.874 11.956 -0.695 1.00 0.00 C ATOM 133 O ASP A 13 5.543 12.524 -1.736 1.00 0.00 O ATOM 134 CB ASP A 13 7.331 13.938 -0.236 1.00 0.00 C ATOM 135 CG ASP A 13 8.256 14.641 0.737 1.00 0.00 C ATOM 136 OD1 ASP A 13 9.422 14.211 0.864 1.00 0.00 O ATOM 137 OD2 ASP A 13 7.815 15.622 1.372 1.00 0.00 O ATOM 0 H ASP A 13 8.392 11.458 0.226 1.00 0.00 H new ATOM 0 HA ASP A 13 6.031 12.976 1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.889 13.666 -1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.545 14.626 -0.547 1.00 0.00 H new ATOM 142 N LYS A 14 5.547 10.697 -0.423 1.00 0.00 N ATOM 143 CA LYS A 14 4.764 9.892 -1.352 1.00 0.00 C ATOM 144 C LYS A 14 3.285 9.916 -0.979 1.00 0.00 C ATOM 145 O LYS A 14 2.911 9.567 0.141 1.00 0.00 O ATOM 146 CB LYS A 14 5.274 8.449 -1.364 1.00 0.00 C ATOM 147 CG LYS A 14 6.728 8.322 -1.787 1.00 0.00 C ATOM 148 CD LYS A 14 6.859 8.166 -3.292 1.00 0.00 C ATOM 149 CE LYS A 14 8.291 8.392 -3.753 1.00 0.00 C ATOM 150 NZ LYS A 14 8.641 9.839 -3.785 1.00 0.00 N ATOM 0 H LYS A 14 5.813 10.212 0.434 1.00 0.00 H new ATOM 0 HA LYS A 14 4.877 10.319 -2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.155 8.022 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.655 7.859 -2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.281 9.204 -1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.179 7.463 -1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.535 7.168 -3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.199 8.875 -3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.975 7.868 -3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.425 7.964 -4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.594 9.957 -4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.953 10.350 -4.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.620 10.223 -2.819 1.00 0.00 H new ATOM 164 N LEU A 15 2.448 10.327 -1.925 1.00 0.00 N ATOM 165 CA LEU A 15 1.008 10.395 -1.696 1.00 0.00 C ATOM 166 C LEU A 15 0.448 9.020 -1.346 1.00 0.00 C ATOM 167 O LEU A 15 -0.404 8.892 -0.467 1.00 0.00 O ATOM 168 CB LEU A 15 0.301 10.947 -2.935 1.00 0.00 C ATOM 169 CG LEU A 15 0.490 12.439 -3.207 1.00 0.00 C ATOM 170 CD1 LEU A 15 1.747 12.676 -4.031 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.729 13.012 -3.915 1.00 0.00 C ATOM 0 H LEU A 15 2.741 10.618 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 15 0.829 11.065 -0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.651 10.392 -3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.766 10.748 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 15 0.604 12.951 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.865 13.744 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.615 12.303 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.663 12.151 -4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.576 14.075 -4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.875 12.496 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.611 12.876 -3.289 1.00 0.00 H new ATOM 183 N TYR A 16 0.932 7.996 -2.039 1.00 0.00 N ATOM 184 CA TYR A 16 0.479 6.630 -1.801 1.00 0.00 C ATOM 185 C TYR A 16 1.529 5.834 -1.033 1.00 0.00 C ATOM 186 O TYR A 16 2.723 6.128 -1.104 1.00 0.00 O ATOM 187 CB TYR A 16 0.167 5.936 -3.128 1.00 0.00 C ATOM 188 CG TYR A 16 -0.825 6.689 -3.986 1.00 0.00 C ATOM 189 CD1 TYR A 16 -2.187 6.635 -3.719 1.00 0.00 C ATOM 190 CD2 TYR A 16 -0.399 7.455 -5.064 1.00 0.00 C ATOM 191 CE1 TYR A 16 -3.096 7.320 -4.501 1.00 0.00 C ATOM 192 CE2 TYR A 16 -1.301 8.145 -5.851 1.00 0.00 C ATOM 193 CZ TYR A 16 -2.648 8.074 -5.565 1.00 0.00 C ATOM 194 OH TYR A 16 -3.551 8.759 -6.346 1.00 0.00 O ATOM 0 H TYR A 16 1.638 8.085 -2.770 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.429 6.675 -1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.094 5.806 -3.687 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.225 4.939 -2.924 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.541 6.047 -2.885 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.655 7.512 -5.291 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.152 7.265 -4.280 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.953 8.736 -6.685 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.073 9.242 -7.052 1.00 0.00 H new ATOM 204 N ARG A 17 1.076 4.823 -0.299 1.00 0.00 N ATOM 205 CA ARG A 17 1.974 3.984 0.484 1.00 0.00 C ATOM 206 C ARG A 17 1.432 2.562 0.595 1.00 0.00 C ATOM 207 O ARG A 17 0.464 2.310 1.313 1.00 0.00 O ATOM 208 CB ARG A 17 2.173 4.576 1.881 1.00 0.00 C ATOM 209 CG ARG A 17 3.245 3.870 2.695 1.00 0.00 C ATOM 210 CD ARG A 17 3.562 4.628 3.974 1.00 0.00 C ATOM 211 NE ARG A 17 4.378 3.837 4.891 1.00 0.00 N ATOM 212 CZ ARG A 17 5.267 4.364 5.726 1.00 0.00 C ATOM 213 NH1 ARG A 17 5.454 5.676 5.759 1.00 0.00 N ATOM 214 NH2 ARG A 17 5.972 3.578 6.530 1.00 0.00 N ATOM 0 H ARG A 17 0.091 4.565 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 17 2.935 3.949 -0.028 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.436 5.629 1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.229 4.531 2.423 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.912 2.862 2.941 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.150 3.769 2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.086 5.552 3.728 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.632 4.911 4.468 1.00 0.00 H new ATOM 0 HE ARG A 17 4.259 2.824 4.890 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.915 6.284 5.142 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.137 6.078 6.401 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.832 2.568 6.507 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.654 3.984 7.171 1.00 0.00 H new ATOM 228 N VAL A 18 2.061 1.636 -0.121 1.00 0.00 N ATOM 229 CA VAL A 18 1.642 0.239 -0.103 1.00 0.00 C ATOM 230 C VAL A 18 2.620 -0.617 0.694 1.00 0.00 C ATOM 231 O VAL A 18 3.813 -0.653 0.397 1.00 0.00 O ATOM 232 CB VAL A 18 1.523 -0.329 -1.530 1.00 0.00 C ATOM 233 CG1 VAL A 18 2.885 -0.362 -2.207 1.00 0.00 C ATOM 234 CG2 VAL A 18 0.901 -1.717 -1.499 1.00 0.00 C ATOM 0 H VAL A 18 2.863 1.828 -0.721 1.00 0.00 H new ATOM 0 HA VAL A 18 0.663 0.207 0.375 1.00 0.00 H new ATOM 0 HB VAL A 18 0.871 0.325 -2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.781 -0.766 -3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.289 0.649 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.562 -0.993 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.824 -2.104 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.526 -2.383 -0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.093 -1.660 -1.056 1.00 0.00 H new ATOM 244 N GLU A 19 2.104 -1.306 1.707 1.00 0.00 N ATOM 245 CA GLU A 19 2.932 -2.163 2.548 1.00 0.00 C ATOM 246 C GLU A 19 2.083 -3.214 3.256 1.00 0.00 C ATOM 247 O GLU A 19 0.854 -3.186 3.186 1.00 0.00 O ATOM 248 CB GLU A 19 3.690 -1.324 3.579 1.00 0.00 C ATOM 249 CG GLU A 19 2.803 -0.758 4.674 1.00 0.00 C ATOM 250 CD GLU A 19 3.488 0.332 5.475 1.00 0.00 C ATOM 251 OE1 GLU A 19 4.470 0.020 6.181 1.00 0.00 O ATOM 252 OE2 GLU A 19 3.043 1.496 5.397 1.00 0.00 O ATOM 0 H GLU A 19 1.117 -1.288 1.965 1.00 0.00 H new ATOM 0 HA GLU A 19 3.651 -2.674 1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.467 -1.938 4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.191 -0.502 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.892 -0.358 4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.503 -1.563 5.345 1.00 0.00 H new ATOM 259 N TYR A 20 2.748 -4.141 3.938 1.00 0.00 N ATOM 260 CA TYR A 20 2.055 -5.204 4.657 1.00 0.00 C ATOM 261 C TYR A 20 1.505 -4.694 5.985 1.00 0.00 C ATOM 262 O TYR A 20 2.262 -4.342 6.889 1.00 0.00 O ATOM 263 CB TYR A 20 3.000 -6.382 4.902 1.00 0.00 C ATOM 264 CG TYR A 20 3.692 -6.874 3.650 1.00 0.00 C ATOM 265 CD1 TYR A 20 2.959 -7.362 2.575 1.00 0.00 C ATOM 266 CD2 TYR A 20 5.077 -6.851 3.543 1.00 0.00 C ATOM 267 CE1 TYR A 20 3.587 -7.813 1.430 1.00 0.00 C ATOM 268 CE2 TYR A 20 5.712 -7.299 2.401 1.00 0.00 C ATOM 269 CZ TYR A 20 4.963 -7.779 1.348 1.00 0.00 C ATOM 270 OH TYR A 20 5.593 -8.227 0.209 1.00 0.00 O ATOM 0 H TYR A 20 3.765 -4.178 4.008 1.00 0.00 H new ATOM 0 HA TYR A 20 1.219 -5.539 4.043 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.754 -6.086 5.631 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.436 -7.204 5.342 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.881 -7.389 2.636 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.667 -6.477 4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.003 -8.190 0.603 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.790 -7.273 2.333 1.00 0.00 H new ATOM 0 HH TYR A 20 4.930 -8.610 -0.403 1.00 0.00 H new ATOM 280 N ALA A 21 0.181 -4.659 6.095 1.00 0.00 N ATOM 281 CA ALA A 21 -0.472 -4.195 7.313 1.00 0.00 C ATOM 282 C ALA A 21 0.266 -4.688 8.553 1.00 0.00 C ATOM 283 O ALA A 21 0.601 -5.868 8.661 1.00 0.00 O ATOM 284 CB ALA A 21 -1.922 -4.654 7.342 1.00 0.00 C ATOM 0 H ALA A 21 -0.460 -4.946 5.356 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.447 -3.105 7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.397 -4.300 8.257 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.449 -4.248 6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.960 -5.743 7.311 1.00 0.00 H new ATOM 290 N LYS A 22 0.516 -3.777 9.488 1.00 0.00 N ATOM 291 CA LYS A 22 1.214 -4.119 10.722 1.00 0.00 C ATOM 292 C LYS A 22 0.284 -4.844 11.690 1.00 0.00 C ATOM 293 O LYS A 22 0.674 -5.826 12.322 1.00 0.00 O ATOM 294 CB LYS A 22 1.771 -2.856 11.383 1.00 0.00 C ATOM 295 CG LYS A 22 3.120 -2.427 10.834 1.00 0.00 C ATOM 296 CD LYS A 22 3.915 -1.638 11.862 1.00 0.00 C ATOM 297 CE LYS A 22 5.067 -0.884 11.216 1.00 0.00 C ATOM 298 NZ LYS A 22 6.050 -1.808 10.584 1.00 0.00 N ATOM 0 H LYS A 22 0.246 -2.796 9.415 1.00 0.00 H new ATOM 0 HA LYS A 22 2.039 -4.785 10.471 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.058 -2.042 11.250 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.862 -3.027 12.456 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.687 -3.307 10.531 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.974 -1.819 9.941 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.257 -0.933 12.370 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.303 -2.316 12.622 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.676 -0.199 10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.571 -0.277 11.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.861 -1.262 10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.379 -2.499 11.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.597 -2.308 9.793 1.00 0.00 H new ATOM 312 N SER A 23 -0.947 -4.355 11.800 1.00 0.00 N ATOM 313 CA SER A 23 -1.931 -4.956 12.692 1.00 0.00 C ATOM 314 C SER A 23 -3.349 -4.705 12.186 1.00 0.00 C ATOM 315 O SER A 23 -3.581 -3.808 11.376 1.00 0.00 O ATOM 316 CB SER A 23 -1.777 -4.395 14.108 1.00 0.00 C ATOM 317 OG SER A 23 -2.203 -5.336 15.078 1.00 0.00 O ATOM 0 H SER A 23 -1.286 -3.544 11.282 1.00 0.00 H new ATOM 0 HA SER A 23 -1.756 -6.032 12.713 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.735 -4.130 14.286 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.360 -3.479 14.205 1.00 0.00 H new ATOM 0 HG SER A 23 -2.093 -4.955 15.974 1.00 0.00 H new ATOM 323 N GLY A 24 -4.294 -5.505 12.669 1.00 0.00 N ATOM 324 CA GLY A 24 -5.676 -5.355 12.255 1.00 0.00 C ATOM 325 C GLY A 24 -6.379 -4.223 12.978 1.00 0.00 C ATOM 326 O GLY A 24 -7.484 -4.397 13.492 1.00 0.00 O ATOM 0 H GLY A 24 -4.127 -6.255 13.340 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.712 -5.174 11.181 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.210 -6.287 12.439 1.00 0.00 H new ATOM 330 N ARG A 25 -5.736 -3.060 13.019 1.00 0.00 N ATOM 331 CA ARG A 25 -6.305 -1.896 13.687 1.00 0.00 C ATOM 332 C ARG A 25 -6.922 -0.936 12.675 1.00 0.00 C ATOM 333 O ARG A 25 -8.048 -0.472 12.850 1.00 0.00 O ATOM 334 CB ARG A 25 -5.230 -1.174 14.503 1.00 0.00 C ATOM 335 CG ARG A 25 -4.030 -0.739 13.678 1.00 0.00 C ATOM 336 CD ARG A 25 -2.894 -0.250 14.563 1.00 0.00 C ATOM 337 NE ARG A 25 -1.595 -0.383 13.909 1.00 0.00 N ATOM 338 CZ ARG A 25 -1.044 0.572 13.168 1.00 0.00 C ATOM 339 NH1 ARG A 25 -1.675 1.723 12.988 1.00 0.00 N ATOM 340 NH2 ARG A 25 0.142 0.375 12.606 1.00 0.00 N ATOM 0 H ARG A 25 -4.821 -2.899 12.598 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.091 -2.241 14.359 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.672 -0.297 14.976 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.891 -1.831 15.304 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.684 -1.574 13.068 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.327 0.055 12.993 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.063 0.794 14.825 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.891 -0.816 15.494 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.083 -1.257 14.028 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.586 1.878 13.419 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.249 2.454 12.419 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.631 -0.510 12.743 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.565 1.108 12.037 1.00 0.00 H new ATOM 354 N ALA A 26 -6.175 -0.641 11.615 1.00 0.00 N ATOM 355 CA ALA A 26 -6.649 0.263 10.574 1.00 0.00 C ATOM 356 C ALA A 26 -7.929 -0.262 9.933 1.00 0.00 C ATOM 357 O ALA A 26 -8.168 -1.469 9.898 1.00 0.00 O ATOM 358 CB ALA A 26 -5.571 0.463 9.519 1.00 0.00 C ATOM 0 H ALA A 26 -5.240 -1.015 11.455 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.873 1.225 11.036 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.938 1.140 8.748 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.682 0.890 9.983 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.320 -0.497 9.069 1.00 0.00 H new ATOM 364 N SER A 27 -8.749 0.653 9.427 1.00 0.00 N ATOM 365 CA SER A 27 -10.008 0.282 8.790 1.00 0.00 C ATOM 366 C SER A 27 -10.010 0.681 7.318 1.00 0.00 C ATOM 367 O SER A 27 -9.092 1.349 6.842 1.00 0.00 O ATOM 368 CB SER A 27 -11.183 0.945 9.512 1.00 0.00 C ATOM 369 OG SER A 27 -11.368 0.389 10.802 1.00 0.00 O ATOM 0 H SER A 27 -8.565 1.656 9.445 1.00 0.00 H new ATOM 0 HA SER A 27 -10.115 -0.801 8.855 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.004 2.017 9.597 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.093 0.819 8.925 1.00 0.00 H new ATOM 0 HG SER A 27 -12.123 0.831 11.243 1.00 0.00 H new ATOM 375 N CYS A 28 -11.049 0.267 6.600 1.00 0.00 N ATOM 376 CA CYS A 28 -11.173 0.579 5.182 1.00 0.00 C ATOM 377 C CYS A 28 -12.228 1.658 4.953 1.00 0.00 C ATOM 378 O CYS A 28 -13.296 1.639 5.566 1.00 0.00 O ATOM 379 CB CYS A 28 -11.535 -0.679 4.391 1.00 0.00 C ATOM 380 SG CYS A 28 -11.791 -0.391 2.611 1.00 0.00 S ATOM 0 H CYS A 28 -11.818 -0.286 6.978 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.211 0.955 4.833 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.742 -1.416 4.518 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.443 -1.111 4.812 1.00 0.00 H new ATOM 385 N LYS A 29 -11.921 2.599 4.066 1.00 0.00 N ATOM 386 CA LYS A 29 -12.841 3.686 3.753 1.00 0.00 C ATOM 387 C LYS A 29 -13.603 3.399 2.462 1.00 0.00 C ATOM 388 O LYS A 29 -13.974 4.318 1.731 1.00 0.00 O ATOM 389 CB LYS A 29 -12.078 5.006 3.625 1.00 0.00 C ATOM 390 CG LYS A 29 -11.534 5.524 4.945 1.00 0.00 C ATOM 391 CD LYS A 29 -12.598 6.267 5.734 1.00 0.00 C ATOM 392 CE LYS A 29 -12.041 6.821 7.037 1.00 0.00 C ATOM 393 NZ LYS A 29 -13.123 7.170 7.999 1.00 0.00 N ATOM 0 H LYS A 29 -11.041 2.630 3.551 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.560 3.767 4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.251 4.872 2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.739 5.758 3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.157 4.690 5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.690 6.188 4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.996 7.083 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.429 5.595 5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.376 6.085 7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.441 7.707 6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.703 7.544 8.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.743 7.891 7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.680 6.320 8.219 1.00 0.00 H new ATOM 407 N LYS A 30 -13.834 2.120 2.189 1.00 0.00 N ATOM 408 CA LYS A 30 -14.554 1.712 0.988 1.00 0.00 C ATOM 409 C LYS A 30 -15.648 0.705 1.326 1.00 0.00 C ATOM 410 O LYS A 30 -16.812 0.895 0.970 1.00 0.00 O ATOM 411 CB LYS A 30 -13.586 1.106 -0.031 1.00 0.00 C ATOM 412 CG LYS A 30 -14.277 0.481 -1.230 1.00 0.00 C ATOM 413 CD LYS A 30 -14.584 1.516 -2.299 1.00 0.00 C ATOM 414 CE LYS A 30 -15.839 1.155 -3.080 1.00 0.00 C ATOM 415 NZ LYS A 30 -16.423 2.339 -3.768 1.00 0.00 N ATOM 0 H LYS A 30 -13.533 1.347 2.783 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.020 2.597 0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.905 1.883 -0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.979 0.348 0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.643 -0.300 -1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.202 0.003 -0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.712 2.494 -1.834 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.739 1.596 -2.983 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.600 0.388 -3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.578 0.727 -2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.276 2.052 -4.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.674 3.061 -3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.727 2.732 -4.433 1.00 0.00 H new ATOM 429 N CYS A 31 -15.269 -0.365 2.016 1.00 0.00 N ATOM 430 CA CYS A 31 -16.218 -1.401 2.404 1.00 0.00 C ATOM 431 C CYS A 31 -16.441 -1.399 3.914 1.00 0.00 C ATOM 432 O CYS A 31 -16.980 -2.353 4.474 1.00 0.00 O ATOM 433 CB CYS A 31 -15.718 -2.775 1.953 1.00 0.00 C ATOM 434 SG CYS A 31 -14.184 -3.314 2.776 1.00 0.00 S ATOM 0 H CYS A 31 -14.310 -0.537 2.318 1.00 0.00 H new ATOM 0 HA CYS A 31 -17.168 -1.189 1.915 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.497 -3.513 2.141 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.552 -2.754 0.876 1.00 0.00 H new ATOM 439 N SER A 32 -16.022 -0.319 4.566 1.00 0.00 N ATOM 440 CA SER A 32 -16.171 -0.193 6.011 1.00 0.00 C ATOM 441 C SER A 32 -15.825 -1.504 6.709 1.00 0.00 C ATOM 442 O SER A 32 -16.626 -2.044 7.472 1.00 0.00 O ATOM 443 CB SER A 32 -17.601 0.223 6.362 1.00 0.00 C ATOM 444 OG SER A 32 -17.632 0.982 7.559 1.00 0.00 O ATOM 0 H SER A 32 -15.577 0.481 4.116 1.00 0.00 H new ATOM 0 HA SER A 32 -15.480 0.576 6.358 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.024 0.808 5.545 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.224 -0.664 6.474 1.00 0.00 H new ATOM 0 HG SER A 32 -18.556 1.237 7.761 1.00 0.00 H new ATOM 450 N GLU A 33 -14.625 -2.010 6.443 1.00 0.00 N ATOM 451 CA GLU A 33 -14.172 -3.259 7.045 1.00 0.00 C ATOM 452 C GLU A 33 -12.863 -3.054 7.802 1.00 0.00 C ATOM 453 O GLU A 33 -12.210 -2.020 7.667 1.00 0.00 O ATOM 454 CB GLU A 33 -13.990 -4.333 5.970 1.00 0.00 C ATOM 455 CG GLU A 33 -15.299 -4.893 5.441 1.00 0.00 C ATOM 456 CD GLU A 33 -15.761 -6.118 6.207 1.00 0.00 C ATOM 457 OE1 GLU A 33 -15.033 -7.131 6.202 1.00 0.00 O ATOM 458 OE2 GLU A 33 -16.853 -6.061 6.812 1.00 0.00 O ATOM 0 H GLU A 33 -13.949 -1.575 5.815 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.933 -3.589 7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.423 -3.912 5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.395 -5.149 6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.068 -4.123 5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.181 -5.150 4.388 1.00 0.00 H new ATOM 465 N SER A 34 -12.487 -4.048 8.600 1.00 0.00 N ATOM 466 CA SER A 34 -11.259 -3.977 9.383 1.00 0.00 C ATOM 467 C SER A 34 -10.119 -4.702 8.674 1.00 0.00 C ATOM 468 O SER A 34 -10.070 -5.932 8.653 1.00 0.00 O ATOM 469 CB SER A 34 -11.478 -4.582 10.771 1.00 0.00 C ATOM 470 OG SER A 34 -11.870 -5.940 10.680 1.00 0.00 O ATOM 0 H SER A 34 -13.015 -4.912 8.721 1.00 0.00 H new ATOM 0 HA SER A 34 -10.987 -2.927 9.491 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.560 -4.504 11.354 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.242 -4.015 11.302 1.00 0.00 H new ATOM 0 HG SER A 34 -11.291 -6.406 10.041 1.00 0.00 H new ATOM 476 N ILE A 35 -9.205 -3.931 8.095 1.00 0.00 N ATOM 477 CA ILE A 35 -8.066 -4.499 7.385 1.00 0.00 C ATOM 478 C ILE A 35 -7.346 -5.535 8.242 1.00 0.00 C ATOM 479 O ILE A 35 -6.959 -5.275 9.381 1.00 0.00 O ATOM 480 CB ILE A 35 -7.062 -3.408 6.967 1.00 0.00 C ATOM 481 CG1 ILE A 35 -7.737 -2.390 6.047 1.00 0.00 C ATOM 482 CG2 ILE A 35 -5.856 -4.033 6.282 1.00 0.00 C ATOM 483 CD1 ILE A 35 -7.032 -1.051 6.008 1.00 0.00 C ATOM 0 H ILE A 35 -9.231 -2.911 8.104 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.460 -4.981 6.490 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.718 -2.889 7.861 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.781 -2.798 5.037 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.765 -2.241 6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.156 -3.250 5.992 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.365 -4.723 6.968 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.182 -4.575 5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.565 -0.379 5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.011 -0.622 7.010 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.011 -1.187 5.650 1.00 0.00 H new ATOM 495 N PRO A 36 -7.159 -6.740 7.681 1.00 0.00 N ATOM 496 CA PRO A 36 -6.482 -7.839 8.375 1.00 0.00 C ATOM 497 C PRO A 36 -4.990 -7.581 8.553 1.00 0.00 C ATOM 498 O PRO A 36 -4.386 -6.822 7.795 1.00 0.00 O ATOM 499 CB PRO A 36 -6.712 -9.037 7.450 1.00 0.00 C ATOM 500 CG PRO A 36 -6.910 -8.440 6.100 1.00 0.00 C ATOM 501 CD PRO A 36 -7.593 -7.120 6.327 1.00 0.00 C ATOM 0 HA PRO A 36 -6.867 -7.983 9.385 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.859 -9.716 7.462 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.583 -9.615 7.759 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.956 -8.303 5.590 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.517 -9.091 5.471 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.292 -6.379 5.586 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.677 -7.212 6.264 1.00 0.00 H new ATOM 509 N LYS A 37 -4.400 -8.219 9.558 1.00 0.00 N ATOM 510 CA LYS A 37 -2.977 -8.060 9.835 1.00 0.00 C ATOM 511 C LYS A 37 -2.140 -8.921 8.894 1.00 0.00 C ATOM 512 O LYS A 37 -2.514 -10.050 8.573 1.00 0.00 O ATOM 513 CB LYS A 37 -2.674 -8.433 11.288 1.00 0.00 C ATOM 514 CG LYS A 37 -1.198 -8.366 11.639 1.00 0.00 C ATOM 515 CD LYS A 37 -0.943 -8.817 13.067 1.00 0.00 C ATOM 516 CE LYS A 37 -1.059 -10.327 13.204 1.00 0.00 C ATOM 517 NZ LYS A 37 -0.846 -10.775 14.609 1.00 0.00 N ATOM 0 H LYS A 37 -4.885 -8.851 10.195 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.716 -7.014 9.672 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.226 -7.765 11.948 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.039 -9.442 11.479 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.631 -8.994 10.952 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.838 -7.345 11.509 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.052 -8.498 13.378 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.656 -8.334 13.735 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.044 -10.648 12.866 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.327 -10.808 12.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.933 -11.810 14.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.104 -10.492 14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.560 -10.336 15.225 1.00 0.00 H new ATOM 531 N ASP A 38 -1.008 -8.382 8.457 1.00 0.00 N ATOM 532 CA ASP A 38 -0.117 -9.103 7.554 1.00 0.00 C ATOM 533 C ASP A 38 -0.751 -9.261 6.176 1.00 0.00 C ATOM 534 O ASP A 38 -0.676 -10.327 5.566 1.00 0.00 O ATOM 535 CB ASP A 38 0.227 -10.477 8.132 1.00 0.00 C ATOM 536 CG ASP A 38 1.601 -10.956 7.707 1.00 0.00 C ATOM 537 OD1 ASP A 38 2.509 -10.109 7.571 1.00 0.00 O ATOM 538 OD2 ASP A 38 1.769 -12.178 7.510 1.00 0.00 O ATOM 0 H ASP A 38 -0.685 -7.449 8.713 1.00 0.00 H new ATOM 0 HA ASP A 38 0.799 -8.523 7.448 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.182 -10.432 9.220 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.522 -11.201 7.811 1.00 0.00 H new ATOM 543 N SER A 39 -1.376 -8.192 5.692 1.00 0.00 N ATOM 544 CA SER A 39 -2.028 -8.214 4.388 1.00 0.00 C ATOM 545 C SER A 39 -1.568 -7.038 3.531 1.00 0.00 C ATOM 546 O SER A 39 -1.067 -6.038 4.046 1.00 0.00 O ATOM 547 CB SER A 39 -3.549 -8.174 4.553 1.00 0.00 C ATOM 548 OG SER A 39 -3.944 -7.091 5.377 1.00 0.00 O ATOM 0 H SER A 39 -1.444 -7.301 6.183 1.00 0.00 H new ATOM 0 HA SER A 39 -1.748 -9.140 3.885 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.022 -8.082 3.575 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.896 -9.111 4.988 1.00 0.00 H new ATOM 0 HG SER A 39 -3.891 -7.360 6.318 1.00 0.00 H new ATOM 554 N LEU A 40 -1.741 -7.167 2.220 1.00 0.00 N ATOM 555 CA LEU A 40 -1.344 -6.116 1.289 1.00 0.00 C ATOM 556 C LEU A 40 -2.414 -5.032 1.203 1.00 0.00 C ATOM 557 O LEU A 40 -3.554 -5.300 0.824 1.00 0.00 O ATOM 558 CB LEU A 40 -1.087 -6.706 -0.098 1.00 0.00 C ATOM 559 CG LEU A 40 -0.525 -5.743 -1.144 1.00 0.00 C ATOM 560 CD1 LEU A 40 0.887 -5.318 -0.774 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.548 -6.382 -2.525 1.00 0.00 C ATOM 0 H LEU A 40 -2.153 -7.988 1.778 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.424 -5.664 1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.394 -7.541 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.024 -7.115 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.155 -4.854 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.271 -4.633 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.875 -4.819 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.530 -6.197 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.144 -5.682 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.058 -7.288 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.574 -6.634 -2.792 1.00 0.00 H new ATOM 573 N ARG A 41 -2.038 -3.807 1.556 1.00 0.00 N ATOM 574 CA ARG A 41 -2.965 -2.682 1.518 1.00 0.00 C ATOM 575 C ARG A 41 -2.284 -1.435 0.961 1.00 0.00 C ATOM 576 O ARG A 41 -1.074 -1.426 0.734 1.00 0.00 O ATOM 577 CB ARG A 41 -3.511 -2.396 2.917 1.00 0.00 C ATOM 578 CG ARG A 41 -2.483 -1.796 3.862 1.00 0.00 C ATOM 579 CD ARG A 41 -3.009 -1.726 5.287 1.00 0.00 C ATOM 580 NE ARG A 41 -1.975 -1.316 6.233 1.00 0.00 N ATOM 581 CZ ARG A 41 -2.161 -1.261 7.547 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.336 -1.587 8.068 1.00 0.00 N ATOM 583 NH2 ARG A 41 -1.171 -0.878 8.343 1.00 0.00 N ATOM 0 H ARG A 41 -1.098 -3.568 1.872 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.792 -2.948 0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.358 -1.714 2.835 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.889 -3.324 3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.572 -2.395 3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.215 -0.795 3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.841 -1.023 5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.400 -2.701 5.577 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.060 -1.058 5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.100 -1.881 7.459 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.476 -1.544 9.077 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.266 -0.625 7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.315 -0.836 9.352 1.00 0.00 H new ATOM 597 N MET A 42 -3.069 -0.386 0.744 1.00 0.00 N ATOM 598 CA MET A 42 -2.541 0.867 0.215 1.00 0.00 C ATOM 599 C MET A 42 -2.979 2.048 1.076 1.00 0.00 C ATOM 600 O MET A 42 -3.853 1.914 1.931 1.00 0.00 O ATOM 601 CB MET A 42 -3.007 1.072 -1.228 1.00 0.00 C ATOM 602 CG MET A 42 -2.594 -0.051 -2.166 1.00 0.00 C ATOM 603 SD MET A 42 -3.034 0.281 -3.882 1.00 0.00 S ATOM 604 CE MET A 42 -1.533 1.059 -4.473 1.00 0.00 C ATOM 0 H MET A 42 -4.073 -0.378 0.926 1.00 0.00 H new ATOM 0 HA MET A 42 -1.453 0.811 0.233 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.093 1.164 -1.241 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.603 2.013 -1.601 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.517 -0.202 -2.094 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.068 -0.979 -1.846 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.650 1.324 -5.524 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.337 1.960 -3.892 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.697 0.368 -4.364 1.00 0.00 H new ATOM 614 N ALA A 43 -2.364 3.203 0.843 1.00 0.00 N ATOM 615 CA ALA A 43 -2.692 4.407 1.596 1.00 0.00 C ATOM 616 C ALA A 43 -2.857 5.607 0.669 1.00 0.00 C ATOM 617 O ALA A 43 -2.274 5.650 -0.415 1.00 0.00 O ATOM 618 CB ALA A 43 -1.619 4.686 2.638 1.00 0.00 C ATOM 0 H ALA A 43 -1.637 3.330 0.139 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.642 4.241 2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.877 5.588 3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.552 3.843 3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.658 4.827 2.142 1.00 0.00 H new ATOM 624 N ILE A 44 -3.654 6.578 1.102 1.00 0.00 N ATOM 625 CA ILE A 44 -3.894 7.778 0.310 1.00 0.00 C ATOM 626 C ILE A 44 -3.944 9.019 1.194 1.00 0.00 C ATOM 627 O ILE A 44 -4.683 9.064 2.177 1.00 0.00 O ATOM 628 CB ILE A 44 -5.210 7.674 -0.484 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.158 6.485 -1.445 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.473 8.965 -1.245 1.00 0.00 C ATOM 631 CD1 ILE A 44 -6.518 6.060 -1.956 1.00 0.00 C ATOM 0 H ILE A 44 -4.144 6.557 1.996 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.063 7.866 -0.389 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.029 7.515 0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.524 6.742 -2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.688 5.641 -0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.406 8.876 -1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.548 9.794 -0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.654 9.152 -1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.404 5.212 -2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.149 5.772 -1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.982 6.890 -2.490 1.00 0.00 H new ATOM 643 N MET A 45 -3.153 10.025 0.836 1.00 0.00 N ATOM 644 CA MET A 45 -3.109 11.270 1.596 1.00 0.00 C ATOM 645 C MET A 45 -4.256 12.192 1.196 1.00 0.00 C ATOM 646 O MET A 45 -4.256 12.761 0.104 1.00 0.00 O ATOM 647 CB MET A 45 -1.771 11.978 1.379 1.00 0.00 C ATOM 648 CG MET A 45 -0.612 11.325 2.114 1.00 0.00 C ATOM 649 SD MET A 45 -0.335 12.038 3.747 1.00 0.00 S ATOM 650 CE MET A 45 -1.542 11.139 4.718 1.00 0.00 C ATOM 0 H MET A 45 -2.534 10.003 0.025 1.00 0.00 H new ATOM 0 HA MET A 45 -3.215 11.025 2.653 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.549 11.998 0.312 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.860 13.014 1.706 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.807 10.257 2.216 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.295 11.428 1.518 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.152 10.976 5.723 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.465 11.716 4.776 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.745 10.177 4.247 1.00 0.00 H new ATOM 660 N VAL A 46 -5.233 12.335 2.086 1.00 0.00 N ATOM 661 CA VAL A 46 -6.386 13.189 1.825 1.00 0.00 C ATOM 662 C VAL A 46 -6.589 14.197 2.950 1.00 0.00 C ATOM 663 O VAL A 46 -5.943 14.114 3.995 1.00 0.00 O ATOM 664 CB VAL A 46 -7.672 12.359 1.655 1.00 0.00 C ATOM 665 CG1 VAL A 46 -7.622 11.551 0.367 1.00 0.00 C ATOM 666 CG2 VAL A 46 -7.881 11.449 2.857 1.00 0.00 C ATOM 0 H VAL A 46 -5.249 11.871 2.994 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.182 13.722 0.897 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.519 13.043 1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.540 10.971 0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.523 12.227 -0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.767 10.875 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.794 10.870 2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.032 10.772 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.966 12.053 3.760 1.00 0.00 H new ATOM 676 N GLN A 47 -7.491 15.148 2.730 1.00 0.00 N ATOM 677 CA GLN A 47 -7.779 16.173 3.727 1.00 0.00 C ATOM 678 C GLN A 47 -9.071 15.858 4.473 1.00 0.00 C ATOM 679 O GLN A 47 -10.131 15.710 3.864 1.00 0.00 O ATOM 680 CB GLN A 47 -7.881 17.546 3.062 1.00 0.00 C ATOM 681 CG GLN A 47 -7.529 18.699 3.988 1.00 0.00 C ATOM 682 CD GLN A 47 -8.490 18.825 5.154 1.00 0.00 C ATOM 683 OE1 GLN A 47 -9.588 18.269 5.131 1.00 0.00 O ATOM 684 NE2 GLN A 47 -8.080 19.559 6.182 1.00 0.00 N ATOM 0 H GLN A 47 -8.035 15.230 1.871 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.960 16.186 4.446 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.219 17.571 2.196 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.896 17.686 2.691 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.518 18.558 4.369 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.529 19.629 3.420 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.161 20.002 6.158 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.684 19.680 6.995 1.00 0.00 H new ATOM 693 N SER A 48 -8.976 15.758 5.795 1.00 0.00 N ATOM 694 CA SER A 48 -10.137 15.457 6.624 1.00 0.00 C ATOM 695 C SER A 48 -10.691 16.726 7.265 1.00 0.00 C ATOM 696 O SER A 48 -9.949 17.591 7.732 1.00 0.00 O ATOM 697 CB SER A 48 -9.766 14.444 7.709 1.00 0.00 C ATOM 698 OG SER A 48 -10.896 14.097 8.491 1.00 0.00 O ATOM 0 H SER A 48 -8.107 15.881 6.315 1.00 0.00 H new ATOM 0 HA SER A 48 -10.908 15.028 5.984 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.350 13.548 7.248 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.990 14.862 8.351 1.00 0.00 H new ATOM 0 HG SER A 48 -10.633 13.447 9.176 1.00 0.00 H new ATOM 704 N PRO A 49 -12.027 16.841 7.289 1.00 0.00 N ATOM 705 CA PRO A 49 -12.711 18.000 7.869 1.00 0.00 C ATOM 706 C PRO A 49 -12.582 18.049 9.388 1.00 0.00 C ATOM 707 O PRO A 49 -12.645 19.119 9.992 1.00 0.00 O ATOM 708 CB PRO A 49 -14.172 17.790 7.463 1.00 0.00 C ATOM 709 CG PRO A 49 -14.303 16.319 7.269 1.00 0.00 C ATOM 710 CD PRO A 49 -12.972 15.849 6.750 1.00 0.00 C ATOM 0 HA PRO A 49 -12.288 18.941 7.517 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.853 18.150 8.234 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -14.411 18.333 6.548 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -14.554 15.823 8.207 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.101 16.088 6.563 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -12.739 14.842 7.096 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.951 15.825 5.660 1.00 0.00 H new ATOM 718 N MET A 50 -12.401 16.882 9.999 1.00 0.00 N ATOM 719 CA MET A 50 -12.262 16.793 11.448 1.00 0.00 C ATOM 720 C MET A 50 -10.856 17.194 11.885 1.00 0.00 C ATOM 721 O MET A 50 -10.685 17.962 12.832 1.00 0.00 O ATOM 722 CB MET A 50 -12.571 15.372 11.925 1.00 0.00 C ATOM 723 CG MET A 50 -14.039 14.995 11.800 1.00 0.00 C ATOM 724 SD MET A 50 -15.131 16.173 12.619 1.00 0.00 S ATOM 725 CE MET A 50 -15.314 15.404 14.226 1.00 0.00 C ATOM 0 H MET A 50 -12.347 15.986 9.514 1.00 0.00 H new ATOM 0 HA MET A 50 -12.975 17.483 11.900 1.00 0.00 H new ATOM 0 HB2 MET A 50 -11.973 14.666 11.349 1.00 0.00 H new ATOM 0 HB3 MET A 50 -12.266 15.273 12.967 1.00 0.00 H new ATOM 0 HG2 MET A 50 -14.305 14.932 10.745 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.193 14.004 12.228 1.00 0.00 H new ATOM 0 HE1 MET A 50 -15.965 16.016 14.850 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.752 14.413 14.107 1.00 0.00 H new ATOM 0 HE3 MET A 50 -14.336 15.314 14.700 1.00 0.00 H new ATOM 735 N PHE A 51 -9.853 16.668 11.189 1.00 0.00 N ATOM 736 CA PHE A 51 -8.462 16.970 11.506 1.00 0.00 C ATOM 737 C PHE A 51 -8.041 18.302 10.892 1.00 0.00 C ATOM 738 O PHE A 51 -8.682 18.802 9.967 1.00 0.00 O ATOM 739 CB PHE A 51 -7.548 15.852 11.003 1.00 0.00 C ATOM 740 CG PHE A 51 -6.271 15.725 11.783 1.00 0.00 C ATOM 741 CD1 PHE A 51 -6.208 14.919 12.909 1.00 0.00 C ATOM 742 CD2 PHE A 51 -5.132 16.411 11.391 1.00 0.00 C ATOM 743 CE1 PHE A 51 -5.035 14.801 13.629 1.00 0.00 C ATOM 744 CE2 PHE A 51 -3.956 16.296 12.108 1.00 0.00 C ATOM 745 CZ PHE A 51 -3.907 15.489 13.227 1.00 0.00 C ATOM 0 H PHE A 51 -9.978 16.031 10.402 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.370 17.045 12.590 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.087 14.906 11.047 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.308 16.034 9.955 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.086 14.377 13.227 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.164 17.042 10.515 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.000 14.171 14.506 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.076 16.837 11.793 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.988 15.396 13.787 1.00 0.00 H new ATOM 755 N ASP A 52 -6.961 18.872 11.414 1.00 0.00 N ATOM 756 CA ASP A 52 -6.453 20.146 10.918 1.00 0.00 C ATOM 757 C ASP A 52 -5.402 19.927 9.834 1.00 0.00 C ATOM 758 O ASP A 52 -4.393 20.629 9.782 1.00 0.00 O ATOM 759 CB ASP A 52 -5.857 20.964 12.065 1.00 0.00 C ATOM 760 CG ASP A 52 -6.918 21.496 13.008 1.00 0.00 C ATOM 761 OD1 ASP A 52 -7.985 20.857 13.124 1.00 0.00 O ATOM 762 OD2 ASP A 52 -6.681 22.551 13.632 1.00 0.00 O ATOM 0 H ASP A 52 -6.420 18.472 12.181 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.287 20.697 10.484 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.156 20.344 12.624 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.288 21.798 11.655 1.00 0.00 H new ATOM 767 N GLY A 53 -5.647 18.947 8.969 1.00 0.00 N ATOM 768 CA GLY A 53 -4.712 18.652 7.899 1.00 0.00 C ATOM 769 C GLY A 53 -5.149 17.469 7.057 1.00 0.00 C ATOM 770 O GLY A 53 -6.280 17.426 6.572 1.00 0.00 O ATOM 0 H GLY A 53 -6.476 18.353 8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.607 19.529 7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.730 18.448 8.325 1.00 0.00 H new ATOM 774 N LYS A 54 -4.251 16.506 6.882 1.00 0.00 N ATOM 775 CA LYS A 54 -4.548 15.316 6.094 1.00 0.00 C ATOM 776 C LYS A 54 -4.419 14.055 6.942 1.00 0.00 C ATOM 777 O LYS A 54 -3.799 14.070 8.005 1.00 0.00 O ATOM 778 CB LYS A 54 -3.609 15.231 4.888 1.00 0.00 C ATOM 779 CG LYS A 54 -3.986 16.169 3.755 1.00 0.00 C ATOM 780 CD LYS A 54 -3.546 15.622 2.408 1.00 0.00 C ATOM 781 CE LYS A 54 -4.105 16.450 1.261 1.00 0.00 C ATOM 782 NZ LYS A 54 -3.271 16.331 0.033 1.00 0.00 N ATOM 0 H LYS A 54 -3.310 16.526 7.276 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.577 15.391 5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.593 15.457 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.604 14.207 4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.065 16.322 3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.527 17.144 3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.457 15.614 2.355 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.878 14.589 2.308 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.122 16.126 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.161 17.496 1.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.685 16.910 -0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.306 16.664 0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.238 15.336 -0.269 1.00 0.00 H new ATOM 796 N VAL A 55 -5.009 12.963 6.464 1.00 0.00 N ATOM 797 CA VAL A 55 -4.958 11.693 7.177 1.00 0.00 C ATOM 798 C VAL A 55 -4.760 10.529 6.213 1.00 0.00 C ATOM 799 O VAL A 55 -5.304 10.506 5.108 1.00 0.00 O ATOM 800 CB VAL A 55 -6.242 11.456 7.994 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.471 12.598 8.972 1.00 0.00 C ATOM 802 CG2 VAL A 55 -7.438 11.288 7.069 1.00 0.00 C ATOM 0 H VAL A 55 -5.527 12.933 5.586 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.108 11.746 7.857 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.123 10.537 8.567 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.383 12.413 9.540 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.625 12.667 9.656 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.570 13.534 8.422 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.337 11.121 7.663 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.562 12.189 6.468 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.273 10.433 6.413 1.00 0.00 H new ATOM 812 N PRO A 56 -3.963 9.537 6.638 1.00 0.00 N ATOM 813 CA PRO A 56 -3.676 8.350 5.828 1.00 0.00 C ATOM 814 C PRO A 56 -4.892 7.441 5.679 1.00 0.00 C ATOM 815 O PRO A 56 -5.345 6.830 6.647 1.00 0.00 O ATOM 816 CB PRO A 56 -2.572 7.641 6.616 1.00 0.00 C ATOM 817 CG PRO A 56 -2.765 8.088 8.024 1.00 0.00 C ATOM 818 CD PRO A 56 -3.282 9.498 7.943 1.00 0.00 C ATOM 0 HA PRO A 56 -3.391 8.612 4.809 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.657 6.558 6.529 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.584 7.914 6.246 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.472 7.442 8.545 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.827 8.047 8.579 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.967 9.722 8.761 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.473 10.226 7.996 1.00 0.00 H new ATOM 826 N HIS A 57 -5.415 7.357 4.460 1.00 0.00 N ATOM 827 CA HIS A 57 -6.579 6.521 4.184 1.00 0.00 C ATOM 828 C HIS A 57 -6.153 5.147 3.675 1.00 0.00 C ATOM 829 O HIS A 57 -5.647 5.018 2.560 1.00 0.00 O ATOM 830 CB HIS A 57 -7.488 7.198 3.158 1.00 0.00 C ATOM 831 CG HIS A 57 -8.406 8.221 3.755 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.601 8.590 3.173 1.00 0.00 N ATOM 833 CD2 HIS A 57 -8.299 8.953 4.888 1.00 0.00 C ATOM 834 CE1 HIS A 57 -10.188 9.505 3.923 1.00 0.00 C ATOM 835 NE2 HIS A 57 -9.419 9.743 4.970 1.00 0.00 N ATOM 0 H HIS A 57 -5.052 7.857 3.648 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.130 6.389 5.115 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.871 7.675 2.397 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.084 6.437 2.654 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.484 8.922 5.596 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.136 9.978 3.715 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.624 10.406 5.718 1.00 0.00 H new ATOM 843 N TRP A 58 -6.360 4.126 4.499 1.00 0.00 N ATOM 844 CA TRP A 58 -5.996 2.762 4.132 1.00 0.00 C ATOM 845 C TRP A 58 -7.120 2.091 3.350 1.00 0.00 C ATOM 846 O TRP A 58 -8.273 2.086 3.784 1.00 0.00 O ATOM 847 CB TRP A 58 -5.669 1.946 5.383 1.00 0.00 C ATOM 848 CG TRP A 58 -4.498 2.479 6.151 1.00 0.00 C ATOM 849 CD1 TRP A 58 -4.533 3.140 7.345 1.00 0.00 C ATOM 850 CD2 TRP A 58 -3.118 2.397 5.776 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.259 3.475 7.735 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.373 3.029 6.790 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.440 1.850 4.683 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -0.985 3.129 6.741 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -1.063 1.950 4.636 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.347 2.584 5.660 1.00 0.00 C ATOM 0 H TRP A 58 -6.778 4.217 5.425 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.112 2.806 3.495 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.543 1.927 6.034 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.465 0.915 5.093 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -5.431 3.366 7.901 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.013 3.975 8.589 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.983 1.358 3.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.432 3.619 7.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.529 1.532 3.795 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.729 2.644 5.595 1.00 0.00 H new ATOM 867 N TYR A 59 -6.778 1.525 2.198 1.00 0.00 N ATOM 868 CA TYR A 59 -7.760 0.852 1.356 1.00 0.00 C ATOM 869 C TYR A 59 -7.292 -0.553 0.990 1.00 0.00 C ATOM 870 O TYR A 59 -6.093 -0.814 0.890 1.00 0.00 O ATOM 871 CB TYR A 59 -8.014 1.664 0.085 1.00 0.00 C ATOM 872 CG TYR A 59 -8.850 2.904 0.315 1.00 0.00 C ATOM 873 CD1 TYR A 59 -10.233 2.824 0.412 1.00 0.00 C ATOM 874 CD2 TYR A 59 -8.255 4.153 0.436 1.00 0.00 C ATOM 875 CE1 TYR A 59 -11.000 3.954 0.621 1.00 0.00 C ATOM 876 CE2 TYR A 59 -9.014 5.288 0.647 1.00 0.00 C ATOM 877 CZ TYR A 59 -10.386 5.184 0.738 1.00 0.00 C ATOM 878 OH TYR A 59 -11.147 6.311 0.948 1.00 0.00 O ATOM 0 H TYR A 59 -5.828 1.519 1.826 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.690 0.770 1.919 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.057 1.956 -0.347 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.514 1.030 -0.647 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.717 1.863 0.323 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.181 4.239 0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.075 3.875 0.692 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.535 6.252 0.740 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.561 7.094 1.009 1.00 0.00 H new ATOM 888 N HIS A 60 -8.248 -1.455 0.791 1.00 0.00 N ATOM 889 CA HIS A 60 -7.936 -2.834 0.435 1.00 0.00 C ATOM 890 C HIS A 60 -7.359 -2.914 -0.975 1.00 0.00 C ATOM 891 O HIS A 60 -7.817 -2.220 -1.884 1.00 0.00 O ATOM 892 CB HIS A 60 -9.188 -3.706 0.537 1.00 0.00 C ATOM 893 CG HIS A 60 -9.543 -4.083 1.942 1.00 0.00 C ATOM 894 ND1 HIS A 60 -10.729 -3.716 2.543 1.00 0.00 N ATOM 895 CD2 HIS A 60 -8.862 -4.800 2.865 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.760 -4.190 3.776 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.639 -4.852 3.996 1.00 0.00 N ATOM 0 H HIS A 60 -9.245 -1.255 0.870 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.188 -3.203 1.136 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.028 -3.175 0.089 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.037 -4.614 -0.047 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.888 -5.248 2.736 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.565 -4.058 4.483 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.391 -5.325 4.865 1.00 0.00 H new ATOM 905 N PHE A 61 -6.353 -3.763 -1.150 1.00 0.00 N ATOM 906 CA PHE A 61 -5.712 -3.932 -2.450 1.00 0.00 C ATOM 907 C PHE A 61 -6.724 -3.770 -3.580 1.00 0.00 C ATOM 908 O PHE A 61 -6.394 -3.273 -4.656 1.00 0.00 O ATOM 909 CB PHE A 61 -5.046 -5.307 -2.539 1.00 0.00 C ATOM 910 CG PHE A 61 -4.182 -5.476 -3.755 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.037 -4.714 -3.920 1.00 0.00 C ATOM 912 CD2 PHE A 61 -4.515 -6.398 -4.735 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.239 -4.868 -5.038 1.00 0.00 C ATOM 914 CE2 PHE A 61 -3.721 -6.557 -5.855 1.00 0.00 C ATOM 915 CZ PHE A 61 -2.582 -5.790 -6.007 1.00 0.00 C ATOM 0 H PHE A 61 -5.963 -4.345 -0.409 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.950 -3.160 -2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.440 -5.467 -1.647 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.818 -6.076 -2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.764 -3.991 -3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.405 -6.999 -4.622 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.348 -4.268 -5.154 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.991 -7.280 -6.611 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.961 -5.911 -6.882 1.00 0.00 H new ATOM 925 N SER A 62 -7.958 -4.195 -3.327 1.00 0.00 N ATOM 926 CA SER A 62 -9.018 -4.102 -4.324 1.00 0.00 C ATOM 927 C SER A 62 -9.805 -2.806 -4.160 1.00 0.00 C ATOM 928 O SER A 62 -9.941 -2.024 -5.102 1.00 0.00 O ATOM 929 CB SER A 62 -9.960 -5.302 -4.211 1.00 0.00 C ATOM 930 OG SER A 62 -9.508 -6.382 -5.009 1.00 0.00 O ATOM 0 H SER A 62 -8.248 -4.607 -2.440 1.00 0.00 H new ATOM 0 HA SER A 62 -8.556 -4.104 -5.311 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.028 -5.618 -3.170 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.963 -5.011 -4.522 1.00 0.00 H new ATOM 0 HG SER A 62 -10.126 -7.137 -4.918 1.00 0.00 H new ATOM 936 N CYS A 63 -10.324 -2.584 -2.957 1.00 0.00 N ATOM 937 CA CYS A 63 -11.099 -1.383 -2.667 1.00 0.00 C ATOM 938 C CYS A 63 -10.400 -0.140 -3.211 1.00 0.00 C ATOM 939 O CYS A 63 -11.010 0.674 -3.905 1.00 0.00 O ATOM 940 CB CYS A 63 -11.314 -1.242 -1.159 1.00 0.00 C ATOM 941 SG CYS A 63 -12.465 -2.465 -0.453 1.00 0.00 S ATOM 0 H CYS A 63 -10.222 -3.221 -2.167 1.00 0.00 H new ATOM 0 HA CYS A 63 -12.067 -1.478 -3.158 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.351 -1.332 -0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.691 -0.241 -0.949 1.00 0.00 H new ATOM 946 N PHE A 64 -9.118 -0.001 -2.892 1.00 0.00 N ATOM 947 CA PHE A 64 -8.336 1.142 -3.348 1.00 0.00 C ATOM 948 C PHE A 64 -8.599 1.427 -4.823 1.00 0.00 C ATOM 949 O PHE A 64 -8.564 2.577 -5.260 1.00 0.00 O ATOM 950 CB PHE A 64 -6.844 0.888 -3.123 1.00 0.00 C ATOM 951 CG PHE A 64 -5.966 2.004 -3.613 1.00 0.00 C ATOM 952 CD1 PHE A 64 -5.781 2.213 -4.971 1.00 0.00 C ATOM 953 CD2 PHE A 64 -5.326 2.845 -2.717 1.00 0.00 C ATOM 954 CE1 PHE A 64 -4.973 3.239 -5.424 1.00 0.00 C ATOM 955 CE2 PHE A 64 -4.518 3.873 -3.164 1.00 0.00 C ATOM 956 CZ PHE A 64 -4.341 4.070 -4.519 1.00 0.00 C ATOM 0 H PHE A 64 -8.598 -0.666 -2.319 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.640 2.014 -2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.666 0.737 -2.058 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.560 -0.035 -3.628 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.274 1.567 -5.683 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.460 2.695 -1.656 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.836 3.391 -6.484 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.026 4.521 -2.454 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.710 4.872 -4.871 1.00 0.00 H new ATOM 966 N TRP A 65 -8.861 0.372 -5.586 1.00 0.00 N ATOM 967 CA TRP A 65 -9.130 0.507 -7.013 1.00 0.00 C ATOM 968 C TRP A 65 -10.603 0.809 -7.263 1.00 0.00 C ATOM 969 O TRP A 65 -10.948 1.548 -8.186 1.00 0.00 O ATOM 970 CB TRP A 65 -8.725 -0.769 -7.752 1.00 0.00 C ATOM 971 CG TRP A 65 -7.286 -1.139 -7.555 1.00 0.00 C ATOM 972 CD1 TRP A 65 -6.805 -2.283 -6.984 1.00 0.00 C ATOM 973 CD2 TRP A 65 -6.143 -0.362 -7.926 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.431 -2.263 -6.978 1.00 0.00 N ATOM 975 CE2 TRP A 65 -5.000 -1.096 -7.551 1.00 0.00 C ATOM 976 CE3 TRP A 65 -5.972 0.882 -8.540 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -3.708 -0.625 -7.769 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.689 1.348 -8.756 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.571 0.596 -8.372 1.00 0.00 C ATOM 0 H TRP A 65 -8.893 -0.587 -5.240 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.539 1.341 -7.392 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.354 -1.592 -7.412 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.917 -0.640 -8.817 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.415 -3.085 -6.595 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.829 -2.998 -6.607 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.828 1.469 -8.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.845 -1.203 -7.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.546 2.308 -9.229 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.581 0.988 -8.555 1.00 0.00 H new ATOM 990 N LYS A 66 -11.470 0.234 -6.437 1.00 0.00 N ATOM 991 CA LYS A 66 -12.907 0.443 -6.567 1.00 0.00 C ATOM 992 C LYS A 66 -13.240 1.931 -6.601 1.00 0.00 C ATOM 993 O LYS A 66 -13.934 2.402 -7.502 1.00 0.00 O ATOM 994 CB LYS A 66 -13.648 -0.230 -5.410 1.00 0.00 C ATOM 995 CG LYS A 66 -13.380 -1.721 -5.301 1.00 0.00 C ATOM 996 CD LYS A 66 -14.237 -2.514 -6.274 1.00 0.00 C ATOM 997 CE LYS A 66 -14.247 -3.995 -5.930 1.00 0.00 C ATOM 998 NZ LYS A 66 -14.958 -4.261 -4.648 1.00 0.00 N ATOM 0 H LYS A 66 -11.202 -0.381 -5.669 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.230 -0.005 -7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.359 0.252 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.719 -0.070 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.326 -1.918 -5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.581 -2.054 -4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.257 -2.129 -6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.860 -2.377 -7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.728 -4.552 -6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.222 -4.359 -5.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.227 -5.264 -4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.331 -4.034 -3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -15.813 -3.670 -4.596 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.739 2.667 -5.614 1.00 0.00 N ATOM 1013 CA VAL A 67 -12.981 4.103 -5.533 1.00 0.00 C ATOM 1014 C VAL A 67 -12.709 4.783 -6.870 1.00 0.00 C ATOM 1015 O VAL A 67 -13.415 5.711 -7.262 1.00 0.00 O ATOM 1016 CB VAL A 67 -12.106 4.759 -4.449 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -12.603 4.383 -3.061 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.648 4.361 -4.628 1.00 0.00 C ATOM 0 H VAL A 67 -12.163 2.293 -4.860 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.031 4.232 -5.270 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.179 5.841 -4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.972 4.856 -2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.631 4.723 -2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.562 3.300 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.044 4.834 -3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.554 3.278 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.300 4.686 -5.608 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.679 4.313 -7.569 1.00 0.00 N ATOM 1029 CA GLY A 68 -11.332 4.887 -8.855 1.00 0.00 C ATOM 1030 C GLY A 68 -10.040 5.678 -8.807 1.00 0.00 C ATOM 1031 O GLY A 68 -9.964 6.789 -9.335 1.00 0.00 O ATOM 0 H GLY A 68 -11.080 3.545 -7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.239 4.089 -9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.140 5.537 -9.189 1.00 0.00 H new ATOM 1035 N HIS A 69 -9.021 5.107 -8.172 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.726 5.768 -8.056 1.00 0.00 C ATOM 1037 C HIS A 69 -6.677 5.060 -8.909 1.00 0.00 C ATOM 1038 O HIS A 69 -5.962 4.181 -8.427 1.00 0.00 O ATOM 1039 CB HIS A 69 -7.276 5.801 -6.596 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.786 6.988 -5.838 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -6.963 7.845 -5.138 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -9.044 7.459 -5.675 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -7.693 8.791 -4.576 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -8.960 8.580 -4.886 1.00 0.00 N ATOM 0 H HIS A 69 -9.067 4.189 -7.730 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.833 6.791 -8.418 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.614 4.891 -6.100 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.187 5.798 -6.560 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.946 7.033 -6.088 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.318 9.600 -3.966 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -9.747 9.156 -4.588 1.00 0.00 H new ATOM 1052 N SER A 70 -6.591 5.449 -10.177 1.00 0.00 N ATOM 1053 CA SER A 70 -5.633 4.848 -11.097 1.00 0.00 C ATOM 1054 C SER A 70 -4.211 5.291 -10.766 1.00 0.00 C ATOM 1055 O SER A 70 -4.005 6.293 -10.081 1.00 0.00 O ATOM 1056 CB SER A 70 -5.974 5.226 -12.540 1.00 0.00 C ATOM 1057 OG SER A 70 -6.010 6.633 -12.704 1.00 0.00 O ATOM 0 H SER A 70 -7.173 6.177 -10.590 1.00 0.00 H new ATOM 0 HA SER A 70 -5.692 3.765 -10.989 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.234 4.797 -13.216 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.940 4.800 -12.812 1.00 0.00 H new ATOM 0 HG SER A 70 -6.228 6.848 -13.635 1.00 0.00 H new ATOM 1063 N ILE A 71 -3.234 4.537 -11.258 1.00 0.00 N ATOM 1064 CA ILE A 71 -1.831 4.851 -11.016 1.00 0.00 C ATOM 1065 C ILE A 71 -0.965 4.450 -12.205 1.00 0.00 C ATOM 1066 O ILE A 71 -0.839 3.268 -12.524 1.00 0.00 O ATOM 1067 CB ILE A 71 -1.306 4.146 -9.752 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -2.067 4.633 -8.517 1.00 0.00 C ATOM 1069 CG2 ILE A 71 0.187 4.390 -9.590 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -1.895 3.738 -7.309 1.00 0.00 C ATOM 0 H ILE A 71 -3.388 3.704 -11.827 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.770 5.930 -10.872 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.470 3.074 -9.858 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.729 5.638 -8.265 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.128 4.704 -8.758 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.543 3.885 -8.692 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.716 4.000 -10.459 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.373 5.460 -9.502 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.462 4.144 -6.471 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.259 2.738 -7.543 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.840 3.686 -7.042 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.368 5.443 -12.857 1.00 0.00 N ATOM 1083 CA ARG A 72 0.488 5.194 -14.010 1.00 0.00 C ATOM 1084 C ARG A 72 1.669 4.305 -13.630 1.00 0.00 C ATOM 1085 O ARG A 72 1.787 3.175 -14.106 1.00 0.00 O ATOM 1086 CB ARG A 72 0.997 6.515 -14.589 1.00 0.00 C ATOM 1087 CG ARG A 72 -0.078 7.325 -15.296 1.00 0.00 C ATOM 1088 CD ARG A 72 0.522 8.265 -16.330 1.00 0.00 C ATOM 1089 NE ARG A 72 -0.281 9.473 -16.502 1.00 0.00 N ATOM 1090 CZ ARG A 72 0.209 10.623 -16.952 1.00 0.00 C ATOM 1091 NH1 ARG A 72 1.491 10.720 -17.274 1.00 0.00 N ATOM 1092 NH2 ARG A 72 -0.585 11.678 -17.081 1.00 0.00 N ATOM 0 H ARG A 72 -0.462 6.427 -12.606 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.105 4.678 -14.765 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.422 7.115 -13.784 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.804 6.307 -15.291 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.783 6.650 -15.782 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.642 7.901 -14.563 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.532 8.541 -16.026 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.607 7.747 -17.285 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.272 9.431 -16.264 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.104 9.911 -17.177 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.865 11.604 -17.619 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.572 11.606 -16.835 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.208 12.561 -17.427 1.00 0.00 H new ATOM 1106 N HIS A 73 2.540 4.823 -12.770 1.00 0.00 N ATOM 1107 CA HIS A 73 3.711 4.076 -12.325 1.00 0.00 C ATOM 1108 C HIS A 73 3.758 3.995 -10.802 1.00 0.00 C ATOM 1109 O HIS A 73 4.345 4.842 -10.129 1.00 0.00 O ATOM 1110 CB HIS A 73 4.989 4.729 -12.852 1.00 0.00 C ATOM 1111 CG HIS A 73 4.891 5.170 -14.280 1.00 0.00 C ATOM 1112 ND1 HIS A 73 4.772 4.288 -15.334 1.00 0.00 N ATOM 1113 CD2 HIS A 73 4.893 6.408 -14.826 1.00 0.00 C ATOM 1114 CE1 HIS A 73 4.707 4.965 -16.466 1.00 0.00 C ATOM 1115 NE2 HIS A 73 4.778 6.254 -16.186 1.00 0.00 N ATOM 0 H HIS A 73 2.457 5.757 -12.368 1.00 0.00 H new ATOM 0 HA HIS A 73 3.638 3.064 -12.723 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.230 5.591 -12.230 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.815 4.024 -12.754 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.971 7.343 -14.292 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.612 4.537 -17.453 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.752 7.012 -16.869 1.00 0.00 H new ATOM 1123 N PRO A 74 3.124 2.952 -10.245 1.00 0.00 N ATOM 1124 CA PRO A 74 3.079 2.736 -8.795 1.00 0.00 C ATOM 1125 C PRO A 74 4.438 2.341 -8.226 1.00 0.00 C ATOM 1126 O PRO A 74 4.642 2.363 -7.012 1.00 0.00 O ATOM 1127 CB PRO A 74 2.080 1.588 -8.639 1.00 0.00 C ATOM 1128 CG PRO A 74 2.132 0.860 -9.938 1.00 0.00 C ATOM 1129 CD PRO A 74 2.404 1.904 -10.986 1.00 0.00 C ATOM 0 HA PRO A 74 2.797 3.641 -8.256 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.353 0.936 -7.809 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.077 1.962 -8.435 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.915 0.102 -9.930 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.192 0.345 -10.135 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.004 1.505 -11.804 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.481 2.284 -11.424 1.00 0.00 H new ATOM 1137 N ASP A 75 5.362 1.981 -9.109 1.00 0.00 N ATOM 1138 CA ASP A 75 6.702 1.582 -8.694 1.00 0.00 C ATOM 1139 C ASP A 75 7.412 2.727 -7.977 1.00 0.00 C ATOM 1140 O ASP A 75 8.085 2.519 -6.968 1.00 0.00 O ATOM 1141 CB ASP A 75 7.523 1.135 -9.905 1.00 0.00 C ATOM 1142 CG ASP A 75 7.314 2.032 -11.109 1.00 0.00 C ATOM 1143 OD1 ASP A 75 6.220 1.974 -11.709 1.00 0.00 O ATOM 1144 OD2 ASP A 75 8.243 2.793 -11.450 1.00 0.00 O ATOM 0 H ASP A 75 5.208 1.957 -10.117 1.00 0.00 H new ATOM 0 HA ASP A 75 6.607 0.746 -8.001 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.580 1.127 -9.641 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.252 0.112 -10.166 1.00 0.00 H new ATOM 1149 N VAL A 76 7.258 3.936 -8.507 1.00 0.00 N ATOM 1150 CA VAL A 76 7.884 5.114 -7.919 1.00 0.00 C ATOM 1151 C VAL A 76 6.846 6.019 -7.265 1.00 0.00 C ATOM 1152 O VAL A 76 7.082 6.578 -6.195 1.00 0.00 O ATOM 1153 CB VAL A 76 8.662 5.923 -8.974 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.899 5.161 -9.425 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.767 6.252 -10.159 1.00 0.00 C ATOM 0 H VAL A 76 6.705 4.125 -9.343 1.00 0.00 H new ATOM 0 HA VAL A 76 8.580 4.756 -7.160 1.00 0.00 H new ATOM 0 HB VAL A 76 8.986 6.860 -8.522 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.436 5.748 -10.170 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.548 4.981 -8.568 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.600 4.207 -9.860 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.333 6.824 -10.895 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.411 5.328 -10.614 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.915 6.841 -9.819 1.00 0.00 H new ATOM 1165 N GLU A 77 5.695 6.159 -7.917 1.00 0.00 N ATOM 1166 CA GLU A 77 4.621 6.997 -7.398 1.00 0.00 C ATOM 1167 C GLU A 77 4.157 6.502 -6.031 1.00 0.00 C ATOM 1168 O GLU A 77 3.960 7.291 -5.107 1.00 0.00 O ATOM 1169 CB GLU A 77 3.442 7.015 -8.373 1.00 0.00 C ATOM 1170 CG GLU A 77 3.764 7.671 -9.706 1.00 0.00 C ATOM 1171 CD GLU A 77 2.531 7.895 -10.559 1.00 0.00 C ATOM 1172 OE1 GLU A 77 1.750 6.937 -10.737 1.00 0.00 O ATOM 1173 OE2 GLU A 77 2.347 9.029 -11.049 1.00 0.00 O ATOM 0 H GLU A 77 5.483 5.703 -8.805 1.00 0.00 H new ATOM 0 HA GLU A 77 5.007 8.010 -7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.113 5.991 -8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.607 7.542 -7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.256 8.627 -9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.471 7.047 -10.253 1.00 0.00 H new ATOM 1180 N VAL A 78 3.983 5.190 -5.911 1.00 0.00 N ATOM 1181 CA VAL A 78 3.542 4.589 -4.658 1.00 0.00 C ATOM 1182 C VAL A 78 4.729 4.099 -3.836 1.00 0.00 C ATOM 1183 O VAL A 78 5.572 3.349 -4.329 1.00 0.00 O ATOM 1184 CB VAL A 78 2.583 3.410 -4.907 1.00 0.00 C ATOM 1185 CG1 VAL A 78 2.120 2.810 -3.589 1.00 0.00 C ATOM 1186 CG2 VAL A 78 1.396 3.858 -5.746 1.00 0.00 C ATOM 0 H VAL A 78 4.141 4.523 -6.666 1.00 0.00 H new ATOM 0 HA VAL A 78 3.015 5.365 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 78 3.119 2.639 -5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.443 1.978 -3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.984 2.451 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.601 3.570 -3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.728 3.013 -5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.858 4.648 -5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.750 4.235 -6.705 1.00 0.00 H new ATOM 1196 N ASP A 79 4.789 4.528 -2.580 1.00 0.00 N ATOM 1197 CA ASP A 79 5.873 4.132 -1.688 1.00 0.00 C ATOM 1198 C ASP A 79 5.675 2.702 -1.194 1.00 0.00 C ATOM 1199 O ASP A 79 4.549 2.217 -1.102 1.00 0.00 O ATOM 1200 CB ASP A 79 5.958 5.088 -0.498 1.00 0.00 C ATOM 1201 CG ASP A 79 7.327 5.084 0.152 1.00 0.00 C ATOM 1202 OD1 ASP A 79 8.303 5.486 -0.516 1.00 0.00 O ATOM 1203 OD2 ASP A 79 7.423 4.679 1.330 1.00 0.00 O ATOM 0 H ASP A 79 4.100 5.150 -2.157 1.00 0.00 H new ATOM 0 HA ASP A 79 6.807 4.178 -2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.720 6.099 -0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.207 4.810 0.242 1.00 0.00 H new ATOM 1208 N GLY A 80 6.780 2.032 -0.879 1.00 0.00 N ATOM 1209 CA GLY A 80 6.706 0.664 -0.400 1.00 0.00 C ATOM 1210 C GLY A 80 6.785 -0.349 -1.525 1.00 0.00 C ATOM 1211 O GLY A 80 7.399 -1.406 -1.376 1.00 0.00 O ATOM 0 H GLY A 80 7.724 2.412 -0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.518 0.484 0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.773 0.524 0.147 1.00 0.00 H new ATOM 1215 N PHE A 81 6.161 -0.028 -2.653 1.00 0.00 N ATOM 1216 CA PHE A 81 6.161 -0.920 -3.807 1.00 0.00 C ATOM 1217 C PHE A 81 7.502 -1.635 -3.941 1.00 0.00 C ATOM 1218 O PHE A 81 7.554 -2.854 -4.106 1.00 0.00 O ATOM 1219 CB PHE A 81 5.858 -0.135 -5.085 1.00 0.00 C ATOM 1220 CG PHE A 81 5.972 -0.959 -6.336 1.00 0.00 C ATOM 1221 CD1 PHE A 81 7.213 -1.264 -6.870 1.00 0.00 C ATOM 1222 CD2 PHE A 81 4.837 -1.428 -6.977 1.00 0.00 C ATOM 1223 CE1 PHE A 81 7.321 -2.022 -8.021 1.00 0.00 C ATOM 1224 CE2 PHE A 81 4.938 -2.187 -8.128 1.00 0.00 C ATOM 1225 CZ PHE A 81 6.182 -2.483 -8.651 1.00 0.00 C ATOM 0 H PHE A 81 5.649 0.843 -2.793 1.00 0.00 H new ATOM 0 HA PHE A 81 5.383 -1.669 -3.656 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.850 0.275 -5.020 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.542 0.711 -5.153 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.107 -0.905 -6.381 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.862 -1.198 -6.573 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.295 -2.253 -8.427 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.046 -2.548 -8.618 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.264 -3.074 -9.551 1.00 0.00 H new ATOM 1235 N SER A 82 8.585 -0.868 -3.871 1.00 0.00 N ATOM 1236 CA SER A 82 9.927 -1.426 -3.989 1.00 0.00 C ATOM 1237 C SER A 82 10.159 -2.510 -2.940 1.00 0.00 C ATOM 1238 O SER A 82 10.722 -3.563 -3.235 1.00 0.00 O ATOM 1239 CB SER A 82 10.976 -0.323 -3.840 1.00 0.00 C ATOM 1240 OG SER A 82 12.274 -0.812 -4.132 1.00 0.00 O ATOM 0 H SER A 82 8.559 0.142 -3.733 1.00 0.00 H new ATOM 0 HA SER A 82 10.021 -1.875 -4.978 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.736 0.504 -4.508 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.952 0.071 -2.824 1.00 0.00 H new ATOM 0 HG SER A 82 12.927 -0.088 -4.031 1.00 0.00 H new ATOM 1246 N GLU A 83 9.719 -2.241 -1.715 1.00 0.00 N ATOM 1247 CA GLU A 83 9.880 -3.193 -0.621 1.00 0.00 C ATOM 1248 C GLU A 83 9.125 -4.487 -0.911 1.00 0.00 C ATOM 1249 O GLU A 83 9.627 -5.582 -0.655 1.00 0.00 O ATOM 1250 CB GLU A 83 9.384 -2.583 0.692 1.00 0.00 C ATOM 1251 CG GLU A 83 10.265 -1.459 1.212 1.00 0.00 C ATOM 1252 CD GLU A 83 10.217 -1.333 2.722 1.00 0.00 C ATOM 1253 OE1 GLU A 83 10.293 -2.374 3.408 1.00 0.00 O ATOM 1254 OE2 GLU A 83 10.105 -0.192 3.218 1.00 0.00 O ATOM 0 H GLU A 83 9.249 -1.374 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 83 10.941 -3.425 -0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.373 -2.203 0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.325 -3.366 1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.294 -1.634 0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.950 -0.517 0.762 1.00 0.00 H new ATOM 1261 N LEU A 84 7.917 -4.353 -1.446 1.00 0.00 N ATOM 1262 CA LEU A 84 7.091 -5.511 -1.770 1.00 0.00 C ATOM 1263 C LEU A 84 7.918 -6.596 -2.452 1.00 0.00 C ATOM 1264 O LEU A 84 8.933 -6.309 -3.088 1.00 0.00 O ATOM 1265 CB LEU A 84 5.929 -5.096 -2.675 1.00 0.00 C ATOM 1266 CG LEU A 84 4.922 -4.119 -2.068 1.00 0.00 C ATOM 1267 CD1 LEU A 84 3.866 -3.736 -3.094 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.273 -4.722 -0.831 1.00 0.00 C ATOM 0 H LEU A 84 7.487 -3.454 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 84 6.693 -5.914 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.341 -4.647 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.394 -5.995 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 84 5.454 -3.216 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.158 -3.040 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.346 -3.263 -3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.337 -4.630 -3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.559 -4.013 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.754 -5.641 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.040 -4.945 -0.090 1.00 0.00 H new ATOM 1280 N ARG A 85 7.477 -7.842 -2.316 1.00 0.00 N ATOM 1281 CA ARG A 85 8.177 -8.970 -2.919 1.00 0.00 C ATOM 1282 C ARG A 85 8.086 -8.915 -4.441 1.00 0.00 C ATOM 1283 O ARG A 85 7.185 -8.287 -4.996 1.00 0.00 O ATOM 1284 CB ARG A 85 7.594 -10.290 -2.410 1.00 0.00 C ATOM 1285 CG ARG A 85 7.653 -10.439 -0.898 1.00 0.00 C ATOM 1286 CD ARG A 85 9.009 -10.954 -0.441 1.00 0.00 C ATOM 1287 NE ARG A 85 9.099 -12.409 -0.529 1.00 0.00 N ATOM 1288 CZ ARG A 85 8.682 -13.231 0.428 1.00 0.00 C ATOM 1289 NH1 ARG A 85 8.149 -12.742 1.540 1.00 0.00 N ATOM 1290 NH2 ARG A 85 8.798 -14.544 0.274 1.00 0.00 N ATOM 0 H ARG A 85 6.638 -8.096 -1.794 1.00 0.00 H new ATOM 0 HA ARG A 85 9.227 -8.910 -2.632 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.556 -10.368 -2.734 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.135 -11.117 -2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.451 -9.476 -0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.872 -11.124 -0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.792 -10.505 -1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.188 -10.641 0.588 1.00 0.00 H new ATOM 0 HE ARG A 85 9.504 -12.817 -1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.059 -11.733 1.662 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.829 -13.375 2.273 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.208 -14.923 -0.580 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.478 -15.174 1.009 1.00 0.00 H new ATOM 1304 N TRP A 86 9.024 -9.577 -5.108 1.00 0.00 N ATOM 1305 CA TRP A 86 9.050 -9.603 -6.567 1.00 0.00 C ATOM 1306 C TRP A 86 7.658 -9.861 -7.131 1.00 0.00 C ATOM 1307 O TRP A 86 7.121 -9.046 -7.881 1.00 0.00 O ATOM 1308 CB TRP A 86 10.021 -10.676 -7.061 1.00 0.00 C ATOM 1309 CG TRP A 86 10.261 -10.625 -8.539 1.00 0.00 C ATOM 1310 CD1 TRP A 86 11.091 -9.768 -9.206 1.00 0.00 C ATOM 1311 CD2 TRP A 86 9.664 -11.463 -9.534 1.00 0.00 C ATOM 1312 NE1 TRP A 86 11.045 -10.024 -10.555 1.00 0.00 N ATOM 1313 CE2 TRP A 86 10.178 -11.060 -10.782 1.00 0.00 C ATOM 1314 CE3 TRP A 86 8.747 -12.517 -9.492 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 9.803 -11.673 -11.975 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 8.375 -13.124 -10.676 1.00 0.00 C ATOM 1317 CH2 TRP A 86 8.903 -12.702 -11.904 1.00 0.00 C ATOM 0 H TRP A 86 9.776 -10.103 -4.663 1.00 0.00 H new ATOM 0 HA TRP A 86 9.389 -8.628 -6.917 1.00 0.00 H new ATOM 0 HB2 TRP A 86 10.972 -10.562 -6.542 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.630 -11.659 -6.797 1.00 0.00 H new ATOM 0 HD1 TRP A 86 11.694 -9.002 -8.741 1.00 0.00 H new ATOM 0 HE1 TRP A 86 11.571 -9.524 -11.271 1.00 0.00 H new ATOM 0 HE3 TRP A 86 8.336 -12.851 -8.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 10.208 -11.348 -12.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 7.665 -13.938 -10.655 1.00 0.00 H new ATOM 0 HH2 TRP A 86 8.594 -13.198 -12.812 1.00 0.00 H new ATOM 1328 N ASP A 87 7.078 -10.999 -6.766 1.00 0.00 N ATOM 1329 CA ASP A 87 5.746 -11.364 -7.236 1.00 0.00 C ATOM 1330 C ASP A 87 4.763 -10.216 -7.028 1.00 0.00 C ATOM 1331 O ASP A 87 4.109 -9.767 -7.969 1.00 0.00 O ATOM 1332 CB ASP A 87 5.250 -12.615 -6.509 1.00 0.00 C ATOM 1333 CG ASP A 87 4.227 -13.387 -7.318 1.00 0.00 C ATOM 1334 OD1 ASP A 87 4.293 -13.333 -8.564 1.00 0.00 O ATOM 1335 OD2 ASP A 87 3.360 -14.045 -6.705 1.00 0.00 O ATOM 0 H ASP A 87 7.509 -11.685 -6.146 1.00 0.00 H new ATOM 0 HA ASP A 87 5.810 -11.575 -8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.098 -13.263 -6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.811 -12.327 -5.554 1.00 0.00 H new ATOM 1340 N ASP A 88 4.663 -9.747 -5.789 1.00 0.00 N ATOM 1341 CA ASP A 88 3.760 -8.652 -5.456 1.00 0.00 C ATOM 1342 C ASP A 88 3.972 -7.469 -6.395 1.00 0.00 C ATOM 1343 O ASP A 88 3.030 -6.986 -7.023 1.00 0.00 O ATOM 1344 CB ASP A 88 3.969 -8.212 -4.006 1.00 0.00 C ATOM 1345 CG ASP A 88 3.680 -9.324 -3.017 1.00 0.00 C ATOM 1346 OD1 ASP A 88 2.706 -10.075 -3.236 1.00 0.00 O ATOM 1347 OD2 ASP A 88 4.427 -9.443 -2.024 1.00 0.00 O ATOM 0 H ASP A 88 5.197 -10.108 -4.998 1.00 0.00 H new ATOM 0 HA ASP A 88 2.737 -9.009 -5.575 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.997 -7.873 -3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.323 -7.361 -3.791 1.00 0.00 H new ATOM 1352 N GLN A 89 5.215 -7.006 -6.484 1.00 0.00 N ATOM 1353 CA GLN A 89 5.549 -5.878 -7.346 1.00 0.00 C ATOM 1354 C GLN A 89 4.871 -6.011 -8.705 1.00 0.00 C ATOM 1355 O GLN A 89 4.251 -5.067 -9.194 1.00 0.00 O ATOM 1356 CB GLN A 89 7.065 -5.778 -7.526 1.00 0.00 C ATOM 1357 CG GLN A 89 7.763 -5.021 -6.407 1.00 0.00 C ATOM 1358 CD GLN A 89 9.207 -4.698 -6.734 1.00 0.00 C ATOM 1359 OE1 GLN A 89 9.524 -4.270 -7.844 1.00 0.00 O ATOM 1360 NE2 GLN A 89 10.093 -4.902 -5.766 1.00 0.00 N ATOM 0 H GLN A 89 6.006 -7.394 -5.971 1.00 0.00 H new ATOM 0 HA GLN A 89 5.186 -4.968 -6.868 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.482 -6.783 -7.588 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.278 -5.285 -8.475 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.223 -4.095 -6.208 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.725 -5.614 -5.493 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.786 -5.258 -4.861 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.080 -4.703 -5.928 1.00 0.00 H new ATOM 1369 N GLN A 90 4.994 -7.188 -9.309 1.00 0.00 N ATOM 1370 CA GLN A 90 4.393 -7.443 -10.613 1.00 0.00 C ATOM 1371 C GLN A 90 2.872 -7.361 -10.537 1.00 0.00 C ATOM 1372 O GLN A 90 2.227 -6.779 -11.409 1.00 0.00 O ATOM 1373 CB GLN A 90 4.816 -8.818 -11.133 1.00 0.00 C ATOM 1374 CG GLN A 90 6.286 -8.899 -11.515 1.00 0.00 C ATOM 1375 CD GLN A 90 6.543 -8.453 -12.941 1.00 0.00 C ATOM 1376 OE1 GLN A 90 5.768 -8.755 -13.848 1.00 0.00 O ATOM 1377 NE2 GLN A 90 7.637 -7.729 -13.146 1.00 0.00 N ATOM 0 H GLN A 90 5.504 -7.980 -8.917 1.00 0.00 H new ATOM 0 HA GLN A 90 4.746 -6.677 -11.303 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.606 -9.566 -10.369 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.209 -9.071 -12.002 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.869 -8.280 -10.834 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.634 -9.924 -11.391 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.252 -7.502 -12.365 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.862 -7.400 -14.085 1.00 0.00 H new ATOM 1386 N LYS A 91 2.305 -7.948 -9.489 1.00 0.00 N ATOM 1387 CA LYS A 91 0.859 -7.942 -9.298 1.00 0.00 C ATOM 1388 C LYS A 91 0.318 -6.516 -9.290 1.00 0.00 C ATOM 1389 O LYS A 91 -0.614 -6.191 -10.026 1.00 0.00 O ATOM 1390 CB LYS A 91 0.494 -8.644 -7.988 1.00 0.00 C ATOM 1391 CG LYS A 91 -0.978 -8.538 -7.631 1.00 0.00 C ATOM 1392 CD LYS A 91 -1.208 -8.752 -6.144 1.00 0.00 C ATOM 1393 CE LYS A 91 -1.188 -10.229 -5.784 1.00 0.00 C ATOM 1394 NZ LYS A 91 -1.698 -10.471 -4.405 1.00 0.00 N ATOM 0 H LYS A 91 2.825 -8.434 -8.758 1.00 0.00 H new ATOM 0 HA LYS A 91 0.405 -8.480 -10.130 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.766 -9.697 -8.062 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.087 -8.217 -7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.354 -7.557 -7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.545 -9.277 -8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.439 -8.228 -5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.166 -8.319 -5.857 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.795 -10.785 -6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.170 -10.609 -5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.668 -11.490 -4.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.104 -9.961 -3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.678 -10.132 -4.333 1.00 0.00 H new ATOM 1408 N VAL A 92 0.909 -5.667 -8.456 1.00 0.00 N ATOM 1409 CA VAL A 92 0.488 -4.275 -8.355 1.00 0.00 C ATOM 1410 C VAL A 92 0.460 -3.609 -9.726 1.00 0.00 C ATOM 1411 O VAL A 92 -0.507 -2.935 -10.082 1.00 0.00 O ATOM 1412 CB VAL A 92 1.418 -3.473 -7.425 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.993 -2.014 -7.373 1.00 0.00 C ATOM 1414 CG2 VAL A 92 1.433 -4.083 -6.031 1.00 0.00 C ATOM 0 H VAL A 92 1.682 -5.919 -7.840 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.518 -4.278 -7.935 1.00 0.00 H new ATOM 0 HB VAL A 92 2.430 -3.517 -7.827 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.662 -1.464 -6.711 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.040 -1.586 -8.374 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.028 -1.946 -6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.095 -3.504 -5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.424 -4.072 -5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.790 -5.111 -6.088 1.00 0.00 H new ATOM 1424 N LYS A 93 1.528 -3.801 -10.493 1.00 0.00 N ATOM 1425 CA LYS A 93 1.627 -3.221 -11.826 1.00 0.00 C ATOM 1426 C LYS A 93 0.483 -3.700 -12.715 1.00 0.00 C ATOM 1427 O LYS A 93 -0.213 -2.897 -13.336 1.00 0.00 O ATOM 1428 CB LYS A 93 2.969 -3.584 -12.465 1.00 0.00 C ATOM 1429 CG LYS A 93 4.095 -2.633 -12.098 1.00 0.00 C ATOM 1430 CD LYS A 93 5.385 -2.990 -12.818 1.00 0.00 C ATOM 1431 CE LYS A 93 6.020 -4.243 -12.234 1.00 0.00 C ATOM 1432 NZ LYS A 93 7.466 -4.341 -12.574 1.00 0.00 N ATOM 0 H LYS A 93 2.338 -4.355 -10.213 1.00 0.00 H new ATOM 0 HA LYS A 93 1.559 -2.137 -11.729 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.245 -4.594 -12.162 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.854 -3.597 -13.549 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.807 -1.612 -12.350 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.259 -2.661 -11.021 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.181 -3.144 -13.878 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.086 -2.158 -12.746 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.901 -4.239 -11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.498 -5.123 -12.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.862 -5.208 -12.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.578 -4.370 -13.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.969 -3.514 -12.194 1.00 0.00 H new ATOM 1446 N LYS A 94 0.293 -5.014 -12.769 1.00 0.00 N ATOM 1447 CA LYS A 94 -0.768 -5.601 -13.579 1.00 0.00 C ATOM 1448 C LYS A 94 -2.128 -5.029 -13.191 1.00 0.00 C ATOM 1449 O LYS A 94 -2.904 -4.607 -14.049 1.00 0.00 O ATOM 1450 CB LYS A 94 -0.778 -7.123 -13.417 1.00 0.00 C ATOM 1451 CG LYS A 94 0.238 -7.834 -14.294 1.00 0.00 C ATOM 1452 CD LYS A 94 0.705 -9.136 -13.664 1.00 0.00 C ATOM 1453 CE LYS A 94 -0.272 -10.269 -13.937 1.00 0.00 C ATOM 1454 NZ LYS A 94 0.256 -11.581 -13.470 1.00 0.00 N ATOM 0 H LYS A 94 0.860 -5.693 -12.261 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.574 -5.354 -14.623 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.581 -7.370 -12.374 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.774 -7.499 -13.651 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.202 -8.038 -15.270 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.095 -7.182 -14.461 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.688 -9.399 -14.056 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.816 -9.001 -12.588 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.219 -10.060 -13.439 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.479 -10.320 -15.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.439 -12.327 -13.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.146 -11.793 -13.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.430 -11.540 -12.445 1.00 0.00 H new ATOM 1468 N THR A 95 -2.411 -5.017 -11.892 1.00 0.00 N ATOM 1469 CA THR A 95 -3.677 -4.496 -11.391 1.00 0.00 C ATOM 1470 C THR A 95 -3.840 -3.020 -11.736 1.00 0.00 C ATOM 1471 O THR A 95 -4.863 -2.611 -12.284 1.00 0.00 O ATOM 1472 CB THR A 95 -3.791 -4.670 -9.864 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.646 -6.052 -9.517 1.00 0.00 O ATOM 1474 CG2 THR A 95 -5.129 -4.153 -9.359 1.00 0.00 C ATOM 0 H THR A 95 -1.781 -5.362 -11.168 1.00 0.00 H new ATOM 0 HA THR A 95 -4.468 -5.069 -11.875 1.00 0.00 H new ATOM 0 HB THR A 95 -2.995 -4.092 -9.394 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.711 -6.322 -9.632 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.186 -4.286 -8.279 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.224 -3.094 -9.599 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.937 -4.707 -9.836 1.00 0.00 H new ATOM 1482 N ALA A 96 -2.825 -2.226 -11.413 1.00 0.00 N ATOM 1483 CA ALA A 96 -2.855 -0.796 -11.691 1.00 0.00 C ATOM 1484 C ALA A 96 -3.095 -0.530 -13.174 1.00 0.00 C ATOM 1485 O ALA A 96 -3.925 0.302 -13.538 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.557 -0.142 -11.240 1.00 0.00 C ATOM 0 H ALA A 96 -1.971 -2.549 -10.958 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.682 -0.360 -11.131 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.594 0.926 -11.454 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.427 -0.293 -10.168 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.719 -0.590 -11.774 1.00 0.00 H new ATOM 1492 N GLU A 97 -2.362 -1.243 -14.024 1.00 0.00 N ATOM 1493 CA GLU A 97 -2.496 -1.082 -15.467 1.00 0.00 C ATOM 1494 C GLU A 97 -3.947 -1.265 -15.903 1.00 0.00 C ATOM 1495 O GLU A 97 -4.470 -0.484 -16.697 1.00 0.00 O ATOM 1496 CB GLU A 97 -1.601 -2.084 -16.199 1.00 0.00 C ATOM 1497 CG GLU A 97 -0.124 -1.732 -16.149 1.00 0.00 C ATOM 1498 CD GLU A 97 0.763 -2.866 -16.625 1.00 0.00 C ATOM 1499 OE1 GLU A 97 0.795 -3.123 -17.847 1.00 0.00 O ATOM 1500 OE2 GLU A 97 1.425 -3.497 -15.775 1.00 0.00 O ATOM 0 H GLU A 97 -1.671 -1.936 -13.739 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.183 -0.070 -15.725 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.745 -3.073 -15.763 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.916 -2.146 -17.241 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.057 -0.851 -16.765 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.148 -1.467 -15.127 1.00 0.00 H new ATOM 1507 N ALA A 98 -4.590 -2.303 -15.378 1.00 0.00 N ATOM 1508 CA ALA A 98 -5.980 -2.588 -15.711 1.00 0.00 C ATOM 1509 C ALA A 98 -6.908 -1.507 -15.167 1.00 0.00 C ATOM 1510 O ALA A 98 -7.816 -1.050 -15.858 1.00 0.00 O ATOM 1511 CB ALA A 98 -6.382 -3.953 -15.172 1.00 0.00 C ATOM 0 H ALA A 98 -4.170 -2.960 -14.720 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.074 -2.596 -16.797 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.422 -4.153 -15.428 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.746 -4.720 -15.613 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.266 -3.965 -14.088 1.00 0.00 H new ATOM 1517 N GLY A 99 -6.673 -1.104 -13.922 1.00 0.00 N ATOM 1518 CA GLY A 99 -7.497 -0.081 -13.306 1.00 0.00 C ATOM 1519 C GLY A 99 -8.978 -0.323 -13.518 1.00 0.00 C ATOM 1520 O GLY A 99 -9.660 0.475 -14.159 1.00 0.00 O ATOM 0 H GLY A 99 -5.927 -1.468 -13.329 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.287 -0.045 -12.237 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.229 0.893 -13.716 1.00 0.00 H new ATOM 1524 N GLY A 100 -9.478 -1.432 -12.979 1.00 0.00 N ATOM 1525 CA GLY A 100 -10.884 -1.759 -13.126 1.00 0.00 C ATOM 1526 C GLY A 100 -11.782 -0.820 -12.345 1.00 0.00 C ATOM 1527 O GLY A 100 -11.302 0.015 -11.578 1.00 0.00 O ATOM 0 H GLY A 100 -8.934 -2.109 -12.444 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.154 -1.721 -14.181 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.053 -2.782 -12.790 1.00 0.00 H new ATOM 1531 N SER A 101 -13.090 -0.953 -12.542 1.00 0.00 N ATOM 1532 CA SER A 101 -14.057 -0.106 -11.855 1.00 0.00 C ATOM 1533 C SER A 101 -15.427 -0.775 -11.805 1.00 0.00 C ATOM 1534 O SER A 101 -15.700 -1.714 -12.552 1.00 0.00 O ATOM 1535 CB SER A 101 -14.165 1.251 -12.554 1.00 0.00 C ATOM 1536 OG SER A 101 -13.033 2.057 -12.280 1.00 0.00 O ATOM 0 H SER A 101 -13.504 -1.640 -13.172 1.00 0.00 H new ATOM 0 HA SER A 101 -13.709 0.046 -10.833 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.258 1.103 -13.630 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.069 1.763 -12.223 1.00 0.00 H new ATOM 0 HG SER A 101 -12.322 1.503 -11.896 1.00 0.00 H new ATOM 1542 N GLY A 102 -16.287 -0.284 -10.918 1.00 0.00 N ATOM 1543 CA GLY A 102 -17.619 -0.846 -10.785 1.00 0.00 C ATOM 1544 C GLY A 102 -17.682 -1.949 -9.747 1.00 0.00 C ATOM 1545 O GLY A 102 -16.660 -2.418 -9.245 1.00 0.00 O ATOM 0 H GLY A 102 -16.085 0.493 -10.289 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -18.318 -0.055 -10.513 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -17.942 -1.239 -11.749 1.00 0.00 H new ATOM 1549 N PRO A 103 -18.907 -2.378 -9.407 1.00 0.00 N ATOM 1550 CA PRO A 103 -19.129 -3.436 -8.418 1.00 0.00 C ATOM 1551 C PRO A 103 -18.682 -4.804 -8.921 1.00 0.00 C ATOM 1552 O PRO A 103 -19.419 -5.484 -9.635 1.00 0.00 O ATOM 1553 CB PRO A 103 -20.645 -3.412 -8.207 1.00 0.00 C ATOM 1554 CG PRO A 103 -21.194 -2.847 -9.472 1.00 0.00 C ATOM 1555 CD PRO A 103 -20.169 -1.863 -9.965 1.00 0.00 C ATOM 0 HA PRO A 103 -18.555 -3.268 -7.506 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -21.034 -4.412 -8.018 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -20.916 -2.797 -7.348 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -21.366 -3.633 -10.208 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -22.152 -2.358 -9.297 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -20.141 -1.824 -11.054 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -20.381 -0.853 -9.615 1.00 0.00 H new ATOM 1563 N SER A 104 -17.471 -5.202 -8.544 1.00 0.00 N ATOM 1564 CA SER A 104 -16.925 -6.488 -8.961 1.00 0.00 C ATOM 1565 C SER A 104 -17.568 -7.630 -8.179 1.00 0.00 C ATOM 1566 O SER A 104 -18.298 -7.403 -7.215 1.00 0.00 O ATOM 1567 CB SER A 104 -15.408 -6.510 -8.763 1.00 0.00 C ATOM 1568 OG SER A 104 -14.785 -5.465 -9.489 1.00 0.00 O ATOM 0 H SER A 104 -16.850 -4.652 -7.951 1.00 0.00 H new ATOM 0 HA SER A 104 -17.148 -6.624 -10.019 1.00 0.00 H new ATOM 0 HB2 SER A 104 -15.175 -6.410 -7.703 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.009 -7.471 -9.088 1.00 0.00 H new ATOM 0 HG SER A 104 -13.816 -5.499 -9.345 1.00 0.00 H new ATOM 1574 N SER A 105 -17.290 -8.859 -8.602 1.00 0.00 N ATOM 1575 CA SER A 105 -17.843 -10.037 -7.945 1.00 0.00 C ATOM 1576 C SER A 105 -17.482 -10.052 -6.463 1.00 0.00 C ATOM 1577 O SER A 105 -16.383 -10.454 -6.084 1.00 0.00 O ATOM 1578 CB SER A 105 -17.330 -11.311 -8.620 1.00 0.00 C ATOM 1579 OG SER A 105 -17.790 -11.401 -9.957 1.00 0.00 O ATOM 0 H SER A 105 -16.685 -9.065 -9.397 1.00 0.00 H new ATOM 0 HA SER A 105 -18.928 -9.998 -8.036 1.00 0.00 H new ATOM 0 HB2 SER A 105 -16.240 -11.320 -8.606 1.00 0.00 H new ATOM 0 HB3 SER A 105 -17.663 -12.183 -8.058 1.00 0.00 H new ATOM 0 HG SER A 105 -17.447 -12.223 -10.366 1.00 0.00 H new ATOM 1585 N GLY A 106 -18.418 -9.610 -5.628 1.00 0.00 N ATOM 1586 CA GLY A 106 -18.181 -9.581 -4.197 1.00 0.00 C ATOM 1587 C GLY A 106 -18.122 -10.968 -3.590 1.00 0.00 C ATOM 1588 O GLY A 106 -19.081 -11.734 -3.681 1.00 0.00 O ATOM 0 H GLY A 106 -19.336 -9.272 -5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -17.244 -9.061 -3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -18.973 -9.009 -3.712 1.00 0.00 H new TER 1592 GLY A 106 HETATM 1593 ZN ZN A 200 -12.302 -2.555 1.823 1.00 0.00 ZN