USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 703 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 27 HIS HE2 : A 27 HIS NE2 : A 191 ZNZN :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 191 ZNZN :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 241 ZNZN :(H bumps) USER MOD NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 241 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 291 ZNZN :(H bumps) USER MOD NoAdj-H: A 87 HIS HE2 : A 87 HIS NE2 : A 291 ZNZN :(H bumps) USER MOD Set 1.1: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 SER OG : rot 140:sc= 0 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 36:sc= 0.546 USER MOD Single : A 9 HIS : no HE2:sc= -1.81 K(o=-1.8,f=-2.9) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0.00415 USER MOD Single : A 19 SER OG : rot 180:sc= -1.03 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -167:sc= -2.31 (180deg=-3.16!) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 11:sc= 0.00752 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -112:sc= -1.92 (180deg=-3.63!) USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0959) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.104 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00171 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0528 USER MOD Single : A 53 ASN : amide:sc= -0.0955 K(o=-0.095,f=-1.7!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -168:sc=-0.00238 (180deg=-0.0621) USER MOD Single : A 68 GLN : amide:sc= -0.115 K(o=-0.11,f=-2.2!) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0159 USER MOD Single : A 79 GLN : amide:sc= -1.04 K(o=-1,f=-3.5!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 83:sc= 0.557 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 15:sc= 0.758 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 49.042 0.334 -12.740 1.00 0.00 N ATOM 2 CA GLY A 1 49.302 -0.908 -13.445 1.00 0.00 C ATOM 3 C GLY A 1 48.030 -1.587 -13.913 1.00 0.00 C ATOM 4 O GLY A 1 47.636 -1.451 -15.071 1.00 0.00 O ATOM 0 H1 GLY A 1 49.943 0.759 -12.441 1.00 0.00 H new ATOM 0 H2 GLY A 1 48.541 0.992 -13.370 1.00 0.00 H new ATOM 0 H3 GLY A 1 48.455 0.142 -11.903 1.00 0.00 H new ATOM 0 HA2 GLY A 1 49.940 -0.707 -14.305 1.00 0.00 H new ATOM 0 HA3 GLY A 1 49.852 -1.585 -12.791 1.00 0.00 H new ATOM 8 N SER A 2 47.386 -2.321 -13.010 1.00 0.00 N ATOM 9 CA SER A 2 46.154 -3.028 -13.339 1.00 0.00 C ATOM 10 C SER A 2 44.933 -2.187 -12.981 1.00 0.00 C ATOM 11 O SER A 2 44.641 -1.964 -11.806 1.00 0.00 O ATOM 12 CB SER A 2 46.098 -4.368 -12.602 1.00 0.00 C ATOM 13 OG SER A 2 47.240 -5.156 -12.889 1.00 0.00 O ATOM 0 H SER A 2 47.697 -2.441 -12.046 1.00 0.00 H new ATOM 0 HA SER A 2 46.145 -3.211 -14.413 1.00 0.00 H new ATOM 0 HB2 SER A 2 46.033 -4.193 -11.528 1.00 0.00 H new ATOM 0 HB3 SER A 2 45.197 -4.909 -12.892 1.00 0.00 H new ATOM 0 HG SER A 2 47.181 -6.006 -12.405 1.00 0.00 H new ATOM 19 N SER A 3 44.223 -1.721 -14.004 1.00 0.00 N ATOM 20 CA SER A 3 43.035 -0.900 -13.800 1.00 0.00 C ATOM 21 C SER A 3 42.257 -1.368 -12.574 1.00 0.00 C ATOM 22 O SER A 3 42.040 -0.604 -11.634 1.00 0.00 O ATOM 23 CB SER A 3 42.137 -0.948 -15.037 1.00 0.00 C ATOM 24 OG SER A 3 41.192 0.107 -15.023 1.00 0.00 O ATOM 0 H SER A 3 44.450 -1.898 -14.983 1.00 0.00 H new ATOM 0 HA SER A 3 43.357 0.128 -13.634 1.00 0.00 H new ATOM 0 HB2 SER A 3 42.748 -0.881 -15.937 1.00 0.00 H new ATOM 0 HB3 SER A 3 41.617 -1.905 -15.076 1.00 0.00 H new ATOM 0 HG SER A 3 40.631 0.055 -15.825 1.00 0.00 H new ATOM 30 N GLY A 4 41.838 -2.630 -12.592 1.00 0.00 N ATOM 31 CA GLY A 4 41.088 -3.178 -11.477 1.00 0.00 C ATOM 32 C GLY A 4 39.785 -3.818 -11.914 1.00 0.00 C ATOM 33 O GLY A 4 39.645 -4.234 -13.064 1.00 0.00 O ATOM 0 H GLY A 4 42.005 -3.282 -13.358 1.00 0.00 H new ATOM 0 HA2 GLY A 4 41.699 -3.919 -10.962 1.00 0.00 H new ATOM 0 HA3 GLY A 4 40.877 -2.385 -10.760 1.00 0.00 H new ATOM 37 N SER A 5 38.830 -3.900 -10.994 1.00 0.00 N ATOM 38 CA SER A 5 37.534 -4.499 -11.288 1.00 0.00 C ATOM 39 C SER A 5 36.520 -4.164 -10.198 1.00 0.00 C ATOM 40 O SER A 5 36.889 -3.835 -9.071 1.00 0.00 O ATOM 41 CB SER A 5 37.669 -6.017 -11.425 1.00 0.00 C ATOM 42 OG SER A 5 37.793 -6.634 -10.156 1.00 0.00 O ATOM 0 H SER A 5 38.929 -3.559 -10.038 1.00 0.00 H new ATOM 0 HA SER A 5 37.177 -4.086 -12.231 1.00 0.00 H new ATOM 0 HB2 SER A 5 36.798 -6.417 -11.944 1.00 0.00 H new ATOM 0 HB3 SER A 5 38.541 -6.254 -12.035 1.00 0.00 H new ATOM 0 HG SER A 5 37.876 -7.604 -10.270 1.00 0.00 H new ATOM 48 N SER A 6 35.239 -4.250 -10.544 1.00 0.00 N ATOM 49 CA SER A 6 34.170 -3.953 -9.597 1.00 0.00 C ATOM 50 C SER A 6 32.858 -4.591 -10.041 1.00 0.00 C ATOM 51 O SER A 6 32.561 -4.662 -11.233 1.00 0.00 O ATOM 52 CB SER A 6 33.992 -2.440 -9.455 1.00 0.00 C ATOM 53 OG SER A 6 34.810 -1.925 -8.419 1.00 0.00 O ATOM 0 H SER A 6 34.916 -4.523 -11.472 1.00 0.00 H new ATOM 0 HA SER A 6 34.448 -4.372 -8.630 1.00 0.00 H new ATOM 0 HB2 SER A 6 34.242 -1.951 -10.397 1.00 0.00 H new ATOM 0 HB3 SER A 6 32.947 -2.212 -9.245 1.00 0.00 H new ATOM 0 HG SER A 6 35.662 -2.409 -8.404 1.00 0.00 H new ATOM 59 N GLY A 7 32.075 -5.056 -9.072 1.00 0.00 N ATOM 60 CA GLY A 7 30.804 -5.683 -9.382 1.00 0.00 C ATOM 61 C GLY A 7 29.772 -5.472 -8.292 1.00 0.00 C ATOM 62 O GLY A 7 29.717 -6.210 -7.308 1.00 0.00 O ATOM 0 H GLY A 7 32.299 -5.009 -8.078 1.00 0.00 H new ATOM 0 HA2 GLY A 7 30.424 -5.281 -10.321 1.00 0.00 H new ATOM 0 HA3 GLY A 7 30.957 -6.752 -9.532 1.00 0.00 H new ATOM 66 N PRO A 8 28.931 -4.441 -8.459 1.00 0.00 N ATOM 67 CA PRO A 8 27.882 -4.109 -7.491 1.00 0.00 C ATOM 68 C PRO A 8 26.763 -5.146 -7.471 1.00 0.00 C ATOM 69 O PRO A 8 26.923 -6.257 -7.977 1.00 0.00 O ATOM 70 CB PRO A 8 27.353 -2.761 -7.987 1.00 0.00 C ATOM 71 CG PRO A 8 27.657 -2.749 -9.445 1.00 0.00 C ATOM 72 CD PRO A 8 28.939 -3.519 -9.607 1.00 0.00 C ATOM 0 HA PRO A 8 28.264 -4.082 -6.470 1.00 0.00 H new ATOM 0 HB2 PRO A 8 26.283 -2.664 -7.805 1.00 0.00 H new ATOM 0 HB3 PRO A 8 27.840 -1.932 -7.474 1.00 0.00 H new ATOM 0 HG2 PRO A 8 26.850 -3.209 -10.016 1.00 0.00 H new ATOM 0 HG3 PRO A 8 27.765 -1.729 -9.813 1.00 0.00 H new ATOM 0 HD2 PRO A 8 28.967 -4.057 -10.554 1.00 0.00 H new ATOM 0 HD3 PRO A 8 29.808 -2.861 -9.588 1.00 0.00 H new ATOM 80 N HIS A 9 25.629 -4.775 -6.884 1.00 0.00 N ATOM 81 CA HIS A 9 24.483 -5.673 -6.799 1.00 0.00 C ATOM 82 C HIS A 9 23.507 -5.417 -7.943 1.00 0.00 C ATOM 83 O HIS A 9 22.915 -4.342 -8.040 1.00 0.00 O ATOM 84 CB HIS A 9 23.771 -5.500 -5.457 1.00 0.00 C ATOM 85 CG HIS A 9 24.333 -6.357 -4.366 1.00 0.00 C ATOM 86 ND1 HIS A 9 24.045 -7.699 -4.238 1.00 0.00 N ATOM 87 CD2 HIS A 9 25.174 -6.056 -3.348 1.00 0.00 C ATOM 88 CE1 HIS A 9 24.682 -8.187 -3.189 1.00 0.00 C ATOM 89 NE2 HIS A 9 25.374 -7.210 -2.631 1.00 0.00 N ATOM 0 H HIS A 9 25.480 -3.859 -6.461 1.00 0.00 H new ATOM 0 HA HIS A 9 24.848 -6.697 -6.878 1.00 0.00 H new ATOM 0 HB2 HIS A 9 23.832 -4.455 -5.155 1.00 0.00 H new ATOM 0 HB3 HIS A 9 22.714 -5.734 -5.583 1.00 0.00 H new ATOM 0 HD1 HIS A 9 23.435 -8.232 -4.857 1.00 0.00 H new ATOM 0 HD2 HIS A 9 25.607 -5.089 -3.139 1.00 0.00 H new ATOM 0 HE1 HIS A 9 24.644 -9.210 -2.846 1.00 0.00 H new ATOM 97 N LYS A 10 23.344 -6.411 -8.810 1.00 0.00 N ATOM 98 CA LYS A 10 22.440 -6.295 -9.948 1.00 0.00 C ATOM 99 C LYS A 10 21.274 -7.270 -9.818 1.00 0.00 C ATOM 100 O LYS A 10 21.443 -8.396 -9.349 1.00 0.00 O ATOM 101 CB LYS A 10 23.195 -6.556 -11.253 1.00 0.00 C ATOM 102 CG LYS A 10 22.331 -6.411 -12.494 1.00 0.00 C ATOM 103 CD LYS A 10 23.175 -6.334 -13.755 1.00 0.00 C ATOM 104 CE LYS A 10 22.409 -5.689 -14.900 1.00 0.00 C ATOM 105 NZ LYS A 10 23.294 -5.386 -16.059 1.00 0.00 N ATOM 0 H LYS A 10 23.827 -7.307 -8.746 1.00 0.00 H new ATOM 0 HA LYS A 10 22.042 -5.280 -9.963 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.035 -5.864 -11.322 1.00 0.00 H new ATOM 0 HB3 LYS A 10 23.613 -7.563 -11.227 1.00 0.00 H new ATOM 0 HG2 LYS A 10 21.648 -7.257 -12.564 1.00 0.00 H new ATOM 0 HG3 LYS A 10 21.719 -5.513 -12.409 1.00 0.00 H new ATOM 0 HD2 LYS A 10 24.080 -5.762 -13.554 1.00 0.00 H new ATOM 0 HD3 LYS A 10 23.490 -7.336 -14.045 1.00 0.00 H new ATOM 0 HE2 LYS A 10 21.607 -6.354 -15.220 1.00 0.00 H new ATOM 0 HE3 LYS A 10 21.941 -4.769 -14.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 22.734 -4.948 -16.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 24.045 -4.732 -15.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 23.721 -6.267 -16.409 1.00 0.00 H new ATOM 119 N CYS A 11 20.093 -6.831 -10.238 1.00 0.00 N ATOM 120 CA CYS A 11 18.898 -7.664 -10.170 1.00 0.00 C ATOM 121 C CYS A 11 18.764 -8.525 -11.423 1.00 0.00 C ATOM 122 O CYS A 11 19.357 -8.227 -12.459 1.00 0.00 O ATOM 123 CB CYS A 11 17.652 -6.793 -10.000 1.00 0.00 C ATOM 124 SG CYS A 11 16.304 -7.597 -9.075 1.00 0.00 S ATOM 0 H CYS A 11 19.937 -5.902 -10.630 1.00 0.00 H new ATOM 0 HA CYS A 11 18.993 -8.322 -9.306 1.00 0.00 H new ATOM 0 HB2 CYS A 11 17.932 -5.873 -9.487 1.00 0.00 H new ATOM 0 HB3 CYS A 11 17.283 -6.509 -10.986 1.00 0.00 H new ATOM 129 N GLU A 12 17.980 -9.594 -11.318 1.00 0.00 N ATOM 130 CA GLU A 12 17.768 -10.498 -12.443 1.00 0.00 C ATOM 131 C GLU A 12 16.282 -10.638 -12.756 1.00 0.00 C ATOM 132 O GLU A 12 15.872 -10.579 -13.916 1.00 0.00 O ATOM 133 CB GLU A 12 18.368 -11.873 -12.140 1.00 0.00 C ATOM 134 CG GLU A 12 18.139 -12.893 -13.243 1.00 0.00 C ATOM 135 CD GLU A 12 18.619 -14.280 -12.863 1.00 0.00 C ATOM 136 OE1 GLU A 12 19.848 -14.504 -12.862 1.00 0.00 O ATOM 137 OE2 GLU A 12 17.765 -15.142 -12.566 1.00 0.00 O ATOM 0 H GLU A 12 17.482 -9.855 -10.467 1.00 0.00 H new ATOM 0 HA GLU A 12 18.267 -10.075 -13.315 1.00 0.00 H new ATOM 0 HB2 GLU A 12 19.440 -11.764 -11.974 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.939 -12.251 -11.212 1.00 0.00 H new ATOM 0 HG2 GLU A 12 17.076 -12.933 -13.481 1.00 0.00 H new ATOM 0 HG3 GLU A 12 18.656 -12.568 -14.146 1.00 0.00 H new ATOM 144 N VAL A 13 15.478 -10.823 -11.714 1.00 0.00 N ATOM 145 CA VAL A 13 14.036 -10.971 -11.877 1.00 0.00 C ATOM 146 C VAL A 13 13.474 -9.892 -12.795 1.00 0.00 C ATOM 147 O VAL A 13 12.652 -10.171 -13.669 1.00 0.00 O ATOM 148 CB VAL A 13 13.309 -10.906 -10.521 1.00 0.00 C ATOM 149 CG1 VAL A 13 13.619 -12.140 -9.688 1.00 0.00 C ATOM 150 CG2 VAL A 13 13.691 -9.638 -9.772 1.00 0.00 C ATOM 0 H VAL A 13 15.800 -10.874 -10.748 1.00 0.00 H new ATOM 0 HA VAL A 13 13.866 -11.950 -12.325 1.00 0.00 H new ATOM 0 HB VAL A 13 12.235 -10.883 -10.706 1.00 0.00 H new ATOM 0 HG11 VAL A 13 13.096 -12.076 -8.734 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.290 -13.032 -10.222 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.693 -12.199 -9.510 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.168 -9.609 -8.816 1.00 0.00 H new ATOM 0 HG22 VAL A 13 14.767 -9.629 -9.597 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.412 -8.767 -10.365 1.00 0.00 H new ATOM 160 N CYS A 14 13.922 -8.657 -12.593 1.00 0.00 N ATOM 161 CA CYS A 14 13.464 -7.535 -13.402 1.00 0.00 C ATOM 162 C CYS A 14 14.619 -6.928 -14.194 1.00 0.00 C ATOM 163 O CYS A 14 14.452 -6.520 -15.342 1.00 0.00 O ATOM 164 CB CYS A 14 12.823 -6.466 -12.514 1.00 0.00 C ATOM 165 SG CYS A 14 14.006 -5.571 -11.457 1.00 0.00 S ATOM 0 H CYS A 14 14.603 -8.409 -11.875 1.00 0.00 H new ATOM 0 HA CYS A 14 12.720 -7.907 -14.106 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.302 -5.748 -13.147 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.071 -6.937 -11.881 1.00 0.00 H new ATOM 170 N GLY A 15 15.792 -6.872 -13.570 1.00 0.00 N ATOM 171 CA GLY A 15 16.957 -6.314 -14.230 1.00 0.00 C ATOM 172 C GLY A 15 17.221 -4.877 -13.825 1.00 0.00 C ATOM 173 O GLY A 15 17.761 -4.093 -14.605 1.00 0.00 O ATOM 0 H GLY A 15 15.956 -7.203 -12.619 1.00 0.00 H new ATOM 0 HA2 GLY A 15 17.831 -6.921 -13.993 1.00 0.00 H new ATOM 0 HA3 GLY A 15 16.818 -6.364 -15.310 1.00 0.00 H new ATOM 177 N LYS A 16 16.839 -4.530 -12.601 1.00 0.00 N ATOM 178 CA LYS A 16 17.036 -3.178 -12.092 1.00 0.00 C ATOM 179 C LYS A 16 18.357 -3.068 -11.337 1.00 0.00 C ATOM 180 O LYS A 16 18.665 -3.900 -10.483 1.00 0.00 O ATOM 181 CB LYS A 16 15.877 -2.782 -11.174 1.00 0.00 C ATOM 182 CG LYS A 16 15.847 -1.301 -10.836 1.00 0.00 C ATOM 183 CD LYS A 16 14.474 -0.868 -10.352 1.00 0.00 C ATOM 184 CE LYS A 16 14.198 0.589 -10.689 1.00 0.00 C ATOM 185 NZ LYS A 16 14.989 1.516 -9.833 1.00 0.00 N ATOM 0 H LYS A 16 16.391 -5.167 -11.942 1.00 0.00 H new ATOM 0 HA LYS A 16 17.066 -2.497 -12.943 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.936 -3.056 -11.652 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.944 -3.356 -10.250 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.589 -1.087 -10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 16 16.124 -0.720 -11.716 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.711 -1.499 -10.808 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.405 -1.013 -9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.436 0.771 -11.737 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.135 0.796 -10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.773 2.499 -10.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.744 1.361 -8.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.004 1.336 -9.972 1.00 0.00 H new ATOM 199 N CYS A 17 19.131 -2.037 -11.655 1.00 0.00 N ATOM 200 CA CYS A 17 20.419 -1.818 -11.006 1.00 0.00 C ATOM 201 C CYS A 17 20.257 -0.969 -9.750 1.00 0.00 C ATOM 202 O CYS A 17 19.279 -0.235 -9.606 1.00 0.00 O ATOM 203 CB CYS A 17 21.392 -1.141 -11.972 1.00 0.00 C ATOM 204 SG CYS A 17 20.920 0.541 -12.438 1.00 0.00 S ATOM 0 H CYS A 17 18.889 -1.339 -12.358 1.00 0.00 H new ATOM 0 HA CYS A 17 20.822 -2.789 -10.717 1.00 0.00 H new ATOM 0 HB2 CYS A 17 22.382 -1.116 -11.516 1.00 0.00 H new ATOM 0 HB3 CYS A 17 21.472 -1.747 -12.874 1.00 0.00 H new ATOM 0 HG CYS A 17 21.805 1.030 -13.255 1.00 0.00 H new ATOM 210 N PHE A 18 21.222 -1.075 -8.842 1.00 0.00 N ATOM 211 CA PHE A 18 21.185 -0.318 -7.596 1.00 0.00 C ATOM 212 C PHE A 18 22.586 0.127 -7.189 1.00 0.00 C ATOM 213 O PHE A 18 23.574 -0.228 -7.832 1.00 0.00 O ATOM 214 CB PHE A 18 20.562 -1.161 -6.481 1.00 0.00 C ATOM 215 CG PHE A 18 19.073 -1.318 -6.609 1.00 0.00 C ATOM 216 CD1 PHE A 18 18.535 -2.358 -7.349 1.00 0.00 C ATOM 217 CD2 PHE A 18 18.213 -0.426 -5.990 1.00 0.00 C ATOM 218 CE1 PHE A 18 17.166 -2.506 -7.469 1.00 0.00 C ATOM 219 CE2 PHE A 18 16.844 -0.569 -6.106 1.00 0.00 C ATOM 220 CZ PHE A 18 16.319 -1.610 -6.847 1.00 0.00 C ATOM 0 H PHE A 18 22.039 -1.677 -8.946 1.00 0.00 H new ATOM 0 HA PHE A 18 20.573 0.569 -7.757 1.00 0.00 H new ATOM 0 HB2 PHE A 18 21.025 -2.148 -6.481 1.00 0.00 H new ATOM 0 HB3 PHE A 18 20.790 -0.702 -5.519 1.00 0.00 H new ATOM 0 HD1 PHE A 18 19.193 -3.061 -7.838 1.00 0.00 H new ATOM 0 HD2 PHE A 18 18.617 0.391 -5.410 1.00 0.00 H new ATOM 0 HE1 PHE A 18 16.759 -3.321 -8.049 1.00 0.00 H new ATOM 0 HE2 PHE A 18 16.184 0.133 -5.618 1.00 0.00 H new ATOM 0 HZ PHE A 18 15.249 -1.723 -6.940 1.00 0.00 H new ATOM 230 N SER A 19 22.664 0.908 -6.116 1.00 0.00 N ATOM 231 CA SER A 19 23.943 1.407 -5.625 1.00 0.00 C ATOM 232 C SER A 19 24.380 0.646 -4.376 1.00 0.00 C ATOM 233 O SER A 19 25.412 -0.025 -4.374 1.00 0.00 O ATOM 234 CB SER A 19 23.848 2.903 -5.317 1.00 0.00 C ATOM 235 OG SER A 19 22.686 3.194 -4.559 1.00 0.00 O ATOM 0 H SER A 19 21.856 1.209 -5.570 1.00 0.00 H new ATOM 0 HA SER A 19 24.689 1.251 -6.405 1.00 0.00 H new ATOM 0 HB2 SER A 19 24.734 3.222 -4.768 1.00 0.00 H new ATOM 0 HB3 SER A 19 23.830 3.469 -6.248 1.00 0.00 H new ATOM 0 HG SER A 19 22.649 4.156 -4.373 1.00 0.00 H new ATOM 241 N ARG A 20 23.586 0.757 -3.316 1.00 0.00 N ATOM 242 CA ARG A 20 23.890 0.081 -2.060 1.00 0.00 C ATOM 243 C ARG A 20 23.091 -1.213 -1.932 1.00 0.00 C ATOM 244 O ARG A 20 21.916 -1.269 -2.295 1.00 0.00 O ATOM 245 CB ARG A 20 23.586 1.000 -0.876 1.00 0.00 C ATOM 246 CG ARG A 20 22.157 1.518 -0.857 1.00 0.00 C ATOM 247 CD ARG A 20 22.039 2.852 -1.578 1.00 0.00 C ATOM 248 NE ARG A 20 21.063 3.733 -0.941 1.00 0.00 N ATOM 249 CZ ARG A 20 21.331 4.477 0.126 1.00 0.00 C ATOM 250 NH1 ARG A 20 22.539 4.447 0.672 1.00 0.00 N ATOM 251 NH2 ARG A 20 20.390 5.254 0.648 1.00 0.00 N ATOM 0 H ARG A 20 22.728 1.308 -3.302 1.00 0.00 H new ATOM 0 HA ARG A 20 24.952 -0.166 -2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.780 0.460 0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 20 24.270 1.848 -0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.498 0.789 -1.328 1.00 0.00 H new ATOM 0 HG3 ARG A 20 21.823 1.630 0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 20 23.013 3.342 -1.596 1.00 0.00 H new ATOM 0 HD3 ARG A 20 21.750 2.680 -2.615 1.00 0.00 H new ATOM 0 HE ARG A 20 20.124 3.779 -1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 20 23.265 3.852 0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 20 22.743 5.019 1.491 1.00 0.00 H new ATOM 0 HH21 ARG A 20 19.460 5.280 0.230 1.00 0.00 H new ATOM 0 HH22 ARG A 20 20.597 5.825 1.467 1.00 0.00 H new ATOM 265 N LYS A 21 23.737 -2.252 -1.415 1.00 0.00 N ATOM 266 CA LYS A 21 23.089 -3.546 -1.238 1.00 0.00 C ATOM 267 C LYS A 21 21.849 -3.417 -0.359 1.00 0.00 C ATOM 268 O LYS A 21 20.844 -4.093 -0.585 1.00 0.00 O ATOM 269 CB LYS A 21 24.065 -4.548 -0.617 1.00 0.00 C ATOM 270 CG LYS A 21 23.454 -5.915 -0.362 1.00 0.00 C ATOM 271 CD LYS A 21 24.452 -6.860 0.285 1.00 0.00 C ATOM 272 CE LYS A 21 24.511 -6.663 1.792 1.00 0.00 C ATOM 273 NZ LYS A 21 25.300 -7.734 2.461 1.00 0.00 N ATOM 0 H LYS A 21 24.710 -2.223 -1.111 1.00 0.00 H new ATOM 0 HA LYS A 21 22.782 -3.908 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 21 24.925 -4.661 -1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 21 24.437 -4.144 0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 21 22.581 -5.810 0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 21 23.106 -6.340 -1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.176 -7.891 0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 21 25.441 -6.696 -0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 21 24.955 -5.692 2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 21 23.499 -6.651 2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 25.316 -7.564 3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 24.863 -8.658 2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 26.273 -7.729 2.094 1.00 0.00 H new ATOM 287 N ASP A 22 21.925 -2.546 0.640 1.00 0.00 N ATOM 288 CA ASP A 22 20.807 -2.327 1.551 1.00 0.00 C ATOM 289 C ASP A 22 19.524 -2.040 0.777 1.00 0.00 C ATOM 290 O ASP A 22 18.460 -2.569 1.100 1.00 0.00 O ATOM 291 CB ASP A 22 21.115 -1.168 2.501 1.00 0.00 C ATOM 292 CG ASP A 22 19.943 -0.830 3.400 1.00 0.00 C ATOM 293 OD1 ASP A 22 19.564 -1.685 4.228 1.00 0.00 O ATOM 294 OD2 ASP A 22 19.404 0.290 3.277 1.00 0.00 O ATOM 0 H ASP A 22 22.749 -1.979 0.840 1.00 0.00 H new ATOM 0 HA ASP A 22 20.662 -3.236 2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 22 21.978 -1.425 3.115 1.00 0.00 H new ATOM 0 HB3 ASP A 22 21.389 -0.288 1.919 1.00 0.00 H new ATOM 299 N LYS A 23 19.632 -1.198 -0.245 1.00 0.00 N ATOM 300 CA LYS A 23 18.481 -0.840 -1.066 1.00 0.00 C ATOM 301 C LYS A 23 17.884 -2.074 -1.735 1.00 0.00 C ATOM 302 O LYS A 23 16.666 -2.254 -1.755 1.00 0.00 O ATOM 303 CB LYS A 23 18.886 0.184 -2.129 1.00 0.00 C ATOM 304 CG LYS A 23 18.779 1.624 -1.659 1.00 0.00 C ATOM 305 CD LYS A 23 17.392 2.190 -1.909 1.00 0.00 C ATOM 306 CE LYS A 23 16.453 1.899 -0.748 1.00 0.00 C ATOM 307 NZ LYS A 23 15.387 2.931 -0.624 1.00 0.00 N ATOM 0 H LYS A 23 20.505 -0.751 -0.525 1.00 0.00 H new ATOM 0 HA LYS A 23 17.725 -0.400 -0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 23 19.912 -0.013 -2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 23 18.257 0.050 -3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 23 19.009 1.678 -0.595 1.00 0.00 H new ATOM 0 HG3 LYS A 23 19.520 2.233 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.460 3.267 -2.062 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.983 1.763 -2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.996 0.920 -0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.025 1.854 0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.768 2.696 0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.822 3.862 -0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.825 2.956 -1.499 1.00 0.00 H new ATOM 321 N LEU A 24 18.749 -2.923 -2.279 1.00 0.00 N ATOM 322 CA LEU A 24 18.307 -4.142 -2.947 1.00 0.00 C ATOM 323 C LEU A 24 17.486 -5.014 -2.002 1.00 0.00 C ATOM 324 O LEU A 24 16.389 -5.457 -2.345 1.00 0.00 O ATOM 325 CB LEU A 24 19.513 -4.928 -3.466 1.00 0.00 C ATOM 326 CG LEU A 24 19.212 -6.010 -4.504 1.00 0.00 C ATOM 327 CD1 LEU A 24 18.190 -6.999 -3.963 1.00 0.00 C ATOM 328 CD2 LEU A 24 18.717 -5.384 -5.799 1.00 0.00 C ATOM 0 H LEU A 24 19.760 -2.790 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 24 17.676 -3.857 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 24 20.222 -4.223 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 24 20.010 -5.396 -2.616 1.00 0.00 H new ATOM 0 HG LEU A 24 20.135 -6.551 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 24 17.988 -7.762 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.583 -7.472 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.266 -6.473 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.508 -6.169 -6.526 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.806 -4.818 -5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 24 19.482 -4.716 -6.196 1.00 0.00 H new ATOM 340 N LYS A 25 18.022 -5.254 -0.811 1.00 0.00 N ATOM 341 CA LYS A 25 17.338 -6.069 0.186 1.00 0.00 C ATOM 342 C LYS A 25 15.827 -5.881 0.100 1.00 0.00 C ATOM 343 O LYS A 25 15.077 -6.847 -0.042 1.00 0.00 O ATOM 344 CB LYS A 25 17.828 -5.711 1.591 1.00 0.00 C ATOM 345 CG LYS A 25 19.286 -6.061 1.835 1.00 0.00 C ATOM 346 CD LYS A 25 19.581 -6.220 3.317 1.00 0.00 C ATOM 347 CE LYS A 25 21.012 -6.676 3.554 1.00 0.00 C ATOM 348 NZ LYS A 25 21.271 -6.965 4.992 1.00 0.00 N ATOM 0 H LYS A 25 18.929 -4.896 -0.512 1.00 0.00 H new ATOM 0 HA LYS A 25 17.568 -7.115 -0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 25 17.687 -4.643 1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 25 17.211 -6.229 2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.531 -6.986 1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 25 19.923 -5.281 1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 25 19.411 -5.272 3.827 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.891 -6.943 3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.211 -7.570 2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.701 -5.905 3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 22.257 -7.273 5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 21.106 -6.106 5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.631 -7.719 5.315 1.00 0.00 H new ATOM 362 N THR A 26 15.385 -4.630 0.184 1.00 0.00 N ATOM 363 CA THR A 26 13.964 -4.315 0.114 1.00 0.00 C ATOM 364 C THR A 26 13.427 -4.507 -1.299 1.00 0.00 C ATOM 365 O THR A 26 12.348 -5.068 -1.493 1.00 0.00 O ATOM 366 CB THR A 26 13.687 -2.868 0.565 1.00 0.00 C ATOM 367 OG1 THR A 26 14.427 -2.575 1.755 1.00 0.00 O ATOM 368 CG2 THR A 26 12.202 -2.655 0.819 1.00 0.00 C ATOM 0 H THR A 26 15.991 -3.818 0.301 1.00 0.00 H new ATOM 0 HA THR A 26 13.454 -5.002 0.789 1.00 0.00 H new ATOM 0 HB THR A 26 14.003 -2.196 -0.233 1.00 0.00 H new ATOM 0 HG1 THR A 26 14.247 -1.653 2.034 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.031 -1.626 1.136 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.645 -2.850 -0.097 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.865 -3.336 1.600 1.00 0.00 H new ATOM 376 N HIS A 27 14.185 -4.038 -2.285 1.00 0.00 N ATOM 377 CA HIS A 27 13.785 -4.160 -3.682 1.00 0.00 C ATOM 378 C HIS A 27 13.114 -5.505 -3.939 1.00 0.00 C ATOM 379 O HIS A 27 12.166 -5.598 -4.720 1.00 0.00 O ATOM 380 CB HIS A 27 14.998 -3.998 -4.598 1.00 0.00 C ATOM 381 CG HIS A 27 14.685 -4.199 -6.049 1.00 0.00 C ATOM 382 ND1 HIS A 27 13.747 -3.450 -6.727 1.00 0.00 N ATOM 383 CD2 HIS A 27 15.192 -5.071 -6.952 1.00 0.00 C ATOM 384 CE1 HIS A 27 13.689 -3.853 -7.984 1.00 0.00 C ATOM 385 NE2 HIS A 27 14.557 -4.835 -8.146 1.00 0.00 N ATOM 0 H HIS A 27 15.080 -3.570 -2.142 1.00 0.00 H new ATOM 0 HA HIS A 27 13.068 -3.369 -3.899 1.00 0.00 H new ATOM 0 HB2 HIS A 27 15.416 -3.001 -4.460 1.00 0.00 H new ATOM 0 HB3 HIS A 27 15.767 -4.711 -4.299 1.00 0.00 H new ATOM 0 HD1 HIS A 27 13.185 -2.701 -6.321 1.00 0.00 H new ATOM 0 HD2 HIS A 27 15.954 -5.814 -6.767 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.042 -3.448 -8.748 1.00 0.00 H new ATOM 393 N MET A 28 13.611 -6.545 -3.279 1.00 0.00 N ATOM 394 CA MET A 28 13.059 -7.886 -3.436 1.00 0.00 C ATOM 395 C MET A 28 11.728 -8.015 -2.702 1.00 0.00 C ATOM 396 O MET A 28 10.788 -8.631 -3.205 1.00 0.00 O ATOM 397 CB MET A 28 14.046 -8.932 -2.915 1.00 0.00 C ATOM 398 CG MET A 28 15.364 -8.953 -3.672 1.00 0.00 C ATOM 399 SD MET A 28 15.305 -9.995 -5.142 1.00 0.00 S ATOM 400 CE MET A 28 16.527 -9.192 -6.176 1.00 0.00 C ATOM 0 H MET A 28 14.395 -6.486 -2.630 1.00 0.00 H new ATOM 0 HA MET A 28 12.886 -8.059 -4.498 1.00 0.00 H new ATOM 0 HB2 MET A 28 14.245 -8.739 -1.861 1.00 0.00 H new ATOM 0 HB3 MET A 28 13.585 -9.918 -2.977 1.00 0.00 H new ATOM 0 HG2 MET A 28 15.628 -7.936 -3.963 1.00 0.00 H new ATOM 0 HG3 MET A 28 16.153 -9.310 -3.010 1.00 0.00 H new ATOM 0 HE1 MET A 28 16.446 -9.569 -7.195 1.00 0.00 H new ATOM 0 HE2 MET A 28 16.356 -8.116 -6.173 1.00 0.00 H new ATOM 0 HE3 MET A 28 17.525 -9.402 -5.790 1.00 0.00 H new ATOM 410 N ARG A 29 11.656 -7.431 -1.510 1.00 0.00 N ATOM 411 CA ARG A 29 10.440 -7.483 -0.707 1.00 0.00 C ATOM 412 C ARG A 29 9.201 -7.344 -1.586 1.00 0.00 C ATOM 413 O ARG A 29 8.192 -8.013 -1.363 1.00 0.00 O ATOM 414 CB ARG A 29 10.455 -6.377 0.350 1.00 0.00 C ATOM 415 CG ARG A 29 11.516 -6.572 1.421 1.00 0.00 C ATOM 416 CD ARG A 29 11.176 -7.738 2.336 1.00 0.00 C ATOM 417 NE ARG A 29 10.088 -7.415 3.254 1.00 0.00 N ATOM 418 CZ ARG A 29 9.381 -8.330 3.907 1.00 0.00 C ATOM 419 NH1 ARG A 29 9.646 -9.619 3.743 1.00 0.00 N ATOM 420 NH2 ARG A 29 8.406 -7.957 4.726 1.00 0.00 N ATOM 0 H ARG A 29 12.425 -6.917 -1.079 1.00 0.00 H new ATOM 0 HA ARG A 29 10.404 -8.452 -0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.619 -5.418 -0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.476 -6.327 0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 29 12.483 -6.748 0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.611 -5.661 2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.897 -8.602 1.733 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.060 -8.020 2.907 1.00 0.00 H new ATOM 0 HE ARG A 29 9.858 -6.432 3.402 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.394 -9.910 3.114 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.101 -10.320 4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.199 -6.967 4.855 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.864 -8.661 5.227 1.00 0.00 H new ATOM 434 N CYS A 30 9.285 -6.472 -2.584 1.00 0.00 N ATOM 435 CA CYS A 30 8.170 -6.244 -3.496 1.00 0.00 C ATOM 436 C CYS A 30 8.013 -7.412 -4.466 1.00 0.00 C ATOM 437 O CYS A 30 6.922 -7.961 -4.621 1.00 0.00 O ATOM 438 CB CYS A 30 8.377 -4.944 -4.274 1.00 0.00 C ATOM 439 SG CYS A 30 7.847 -3.460 -3.387 1.00 0.00 S ATOM 0 H CYS A 30 10.114 -5.911 -2.782 1.00 0.00 H new ATOM 0 HA CYS A 30 7.259 -6.162 -2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.434 -4.847 -4.524 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.831 -5.006 -5.216 1.00 0.00 H new ATOM 0 HG CYS A 30 8.064 -2.412 -4.125 1.00 0.00 H new ATOM 445 N HIS A 31 9.110 -7.785 -5.116 1.00 0.00 N ATOM 446 CA HIS A 31 9.095 -8.887 -6.072 1.00 0.00 C ATOM 447 C HIS A 31 8.282 -10.061 -5.534 1.00 0.00 C ATOM 448 O HIS A 31 7.370 -10.554 -6.198 1.00 0.00 O ATOM 449 CB HIS A 31 10.521 -9.339 -6.384 1.00 0.00 C ATOM 450 CG HIS A 31 11.245 -8.429 -7.328 1.00 0.00 C ATOM 451 ND1 HIS A 31 10.653 -7.877 -8.444 1.00 0.00 N ATOM 452 CD2 HIS A 31 12.520 -7.973 -7.316 1.00 0.00 C ATOM 453 CE1 HIS A 31 11.533 -7.122 -9.079 1.00 0.00 C ATOM 454 NE2 HIS A 31 12.673 -7.164 -8.415 1.00 0.00 N ATOM 0 H HIS A 31 10.021 -7.341 -4.999 1.00 0.00 H new ATOM 0 HA HIS A 31 8.626 -8.533 -6.990 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.084 -9.406 -5.453 1.00 0.00 H new ATOM 0 HB3 HIS A 31 10.490 -10.342 -6.811 1.00 0.00 H new ATOM 0 HD1 HIS A 31 9.687 -8.028 -8.734 1.00 0.00 H new ATOM 0 HD2 HIS A 31 13.276 -8.203 -6.579 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.350 -6.566 -9.986 1.00 0.00 H new ATOM 462 N THR A 32 8.620 -10.505 -4.328 1.00 0.00 N ATOM 463 CA THR A 32 7.924 -11.622 -3.702 1.00 0.00 C ATOM 464 C THR A 32 6.502 -11.235 -3.312 1.00 0.00 C ATOM 465 O THR A 32 6.238 -10.090 -2.948 1.00 0.00 O ATOM 466 CB THR A 32 8.671 -12.118 -2.449 1.00 0.00 C ATOM 467 OG1 THR A 32 8.935 -11.019 -1.569 1.00 0.00 O ATOM 468 CG2 THR A 32 9.979 -12.794 -2.830 1.00 0.00 C ATOM 0 H THR A 32 9.372 -10.108 -3.765 1.00 0.00 H new ATOM 0 HA THR A 32 7.890 -12.425 -4.438 1.00 0.00 H new ATOM 0 HB THR A 32 8.039 -12.846 -1.941 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.430 -10.234 -1.866 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.488 -13.136 -1.929 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.773 -13.648 -3.476 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.615 -12.084 -3.359 1.00 0.00 H new ATOM 476 N GLY A 33 5.589 -12.198 -3.390 1.00 0.00 N ATOM 477 CA GLY A 33 4.205 -11.938 -3.042 1.00 0.00 C ATOM 478 C GLY A 33 3.449 -13.202 -2.683 1.00 0.00 C ATOM 479 O GLY A 33 3.207 -14.053 -3.539 1.00 0.00 O ATOM 0 H GLY A 33 5.783 -13.154 -3.688 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.169 -11.246 -2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.709 -11.448 -3.880 1.00 0.00 H new ATOM 483 N VAL A 34 3.077 -13.327 -1.413 1.00 0.00 N ATOM 484 CA VAL A 34 2.345 -14.497 -0.942 1.00 0.00 C ATOM 485 C VAL A 34 1.078 -14.718 -1.760 1.00 0.00 C ATOM 486 O VAL A 34 0.827 -14.016 -2.740 1.00 0.00 O ATOM 487 CB VAL A 34 1.967 -14.361 0.544 1.00 0.00 C ATOM 488 CG1 VAL A 34 3.214 -14.220 1.403 1.00 0.00 C ATOM 489 CG2 VAL A 34 1.031 -13.179 0.750 1.00 0.00 C ATOM 0 H VAL A 34 3.271 -12.632 -0.692 1.00 0.00 H new ATOM 0 HA VAL A 34 3.006 -15.355 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 34 1.445 -15.267 0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.926 -14.125 2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.843 -15.101 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.768 -13.332 1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.774 -13.098 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.525 -12.263 0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.123 -13.328 0.166 1.00 0.00 H new ATOM 499 N LYS A 35 0.280 -15.698 -1.351 1.00 0.00 N ATOM 500 CA LYS A 35 -0.964 -16.013 -2.044 1.00 0.00 C ATOM 501 C LYS A 35 -0.690 -16.477 -3.470 1.00 0.00 C ATOM 502 O LYS A 35 -1.232 -15.942 -4.438 1.00 0.00 O ATOM 503 CB LYS A 35 -1.885 -14.791 -2.061 1.00 0.00 C ATOM 504 CG LYS A 35 -2.275 -14.303 -0.677 1.00 0.00 C ATOM 505 CD LYS A 35 -2.514 -12.802 -0.662 1.00 0.00 C ATOM 506 CE LYS A 35 -3.240 -12.366 0.602 1.00 0.00 C ATOM 507 NZ LYS A 35 -3.793 -10.989 0.477 1.00 0.00 N ATOM 0 H LYS A 35 0.473 -16.289 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.456 -16.823 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.390 -13.981 -2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.789 -15.036 -2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.177 -14.819 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.488 -14.554 0.034 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.560 -12.280 -0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.100 -12.517 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.049 -13.064 0.815 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.553 -12.406 1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.280 -10.729 1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.018 -10.319 0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.468 -10.956 -0.314 1.00 0.00 H new ATOM 521 N PRO A 36 0.171 -17.496 -3.607 1.00 0.00 N ATOM 522 CA PRO A 36 0.534 -18.056 -4.912 1.00 0.00 C ATOM 523 C PRO A 36 -0.619 -18.815 -5.559 1.00 0.00 C ATOM 524 O PRO A 36 -0.495 -19.317 -6.677 1.00 0.00 O ATOM 525 CB PRO A 36 1.684 -19.011 -4.581 1.00 0.00 C ATOM 526 CG PRO A 36 1.464 -19.389 -3.156 1.00 0.00 C ATOM 527 CD PRO A 36 0.855 -18.182 -2.498 1.00 0.00 C ATOM 0 HA PRO A 36 0.800 -17.279 -5.629 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.670 -19.887 -5.230 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.652 -18.528 -4.718 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.802 -20.252 -3.079 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.403 -19.664 -2.675 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.158 -18.464 -1.709 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.614 -17.548 -2.041 1.00 0.00 H new ATOM 535 N TYR A 37 -1.740 -18.895 -4.851 1.00 0.00 N ATOM 536 CA TYR A 37 -2.915 -19.595 -5.356 1.00 0.00 C ATOM 537 C TYR A 37 -3.845 -18.636 -6.093 1.00 0.00 C ATOM 538 O TYR A 37 -4.707 -17.999 -5.487 1.00 0.00 O ATOM 539 CB TYR A 37 -3.666 -20.269 -4.206 1.00 0.00 C ATOM 540 CG TYR A 37 -2.952 -21.476 -3.642 1.00 0.00 C ATOM 541 CD1 TYR A 37 -2.718 -22.599 -4.426 1.00 0.00 C ATOM 542 CD2 TYR A 37 -2.512 -21.494 -2.324 1.00 0.00 C ATOM 543 CE1 TYR A 37 -2.067 -23.704 -3.914 1.00 0.00 C ATOM 544 CE2 TYR A 37 -1.858 -22.595 -1.805 1.00 0.00 C ATOM 545 CZ TYR A 37 -1.638 -23.697 -2.603 1.00 0.00 C ATOM 546 OH TYR A 37 -0.989 -24.796 -2.089 1.00 0.00 O ATOM 0 H TYR A 37 -1.860 -18.484 -3.925 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.579 -20.358 -6.058 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.819 -19.542 -3.408 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.653 -20.572 -4.556 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.051 -22.608 -5.453 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.684 -20.633 -1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.895 -24.569 -4.537 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.521 -22.592 -0.779 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.753 -24.628 -1.153 1.00 0.00 H new ATOM 556 N LYS A 38 -3.664 -18.538 -7.405 1.00 0.00 N ATOM 557 CA LYS A 38 -4.486 -17.659 -8.228 1.00 0.00 C ATOM 558 C LYS A 38 -5.369 -18.468 -9.173 1.00 0.00 C ATOM 559 O LYS A 38 -4.951 -19.499 -9.701 1.00 0.00 O ATOM 560 CB LYS A 38 -3.601 -16.705 -9.033 1.00 0.00 C ATOM 561 CG LYS A 38 -2.697 -15.841 -8.171 1.00 0.00 C ATOM 562 CD LYS A 38 -2.049 -14.730 -8.980 1.00 0.00 C ATOM 563 CE LYS A 38 -1.374 -13.706 -8.081 1.00 0.00 C ATOM 564 NZ LYS A 38 -2.362 -12.944 -7.269 1.00 0.00 N ATOM 0 H LYS A 38 -2.954 -19.057 -7.922 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.128 -17.078 -7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.986 -17.286 -9.721 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.235 -16.059 -9.640 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.276 -15.408 -7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.923 -16.461 -7.718 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.314 -15.157 -9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.804 -14.237 -9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.672 -14.212 -7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.794 -13.013 -8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.382 -11.954 -7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.306 -13.365 -7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.089 -12.980 -6.266 1.00 0.00 H new ATOM 578 N CYS A 39 -6.593 -17.994 -9.382 1.00 0.00 N ATOM 579 CA CYS A 39 -7.536 -18.672 -10.264 1.00 0.00 C ATOM 580 C CYS A 39 -7.062 -18.616 -11.713 1.00 0.00 C ATOM 581 O CYS A 39 -6.221 -17.791 -12.072 1.00 0.00 O ATOM 582 CB CYS A 39 -8.924 -18.039 -10.144 1.00 0.00 C ATOM 583 SG CYS A 39 -10.260 -19.035 -10.879 1.00 0.00 S ATOM 0 H CYS A 39 -6.955 -17.143 -8.952 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.593 -19.717 -9.960 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.146 -17.873 -9.090 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -8.908 -17.061 -10.624 1.00 0.00 H new ATOM 588 N LYS A 40 -7.608 -19.498 -12.543 1.00 0.00 N ATOM 589 CA LYS A 40 -7.244 -19.549 -13.954 1.00 0.00 C ATOM 590 C LYS A 40 -7.730 -18.303 -14.687 1.00 0.00 C ATOM 591 O LYS A 40 -6.967 -17.652 -15.401 1.00 0.00 O ATOM 592 CB LYS A 40 -7.833 -20.801 -14.609 1.00 0.00 C ATOM 593 CG LYS A 40 -6.919 -22.012 -14.538 1.00 0.00 C ATOM 594 CD LYS A 40 -6.985 -22.681 -13.175 1.00 0.00 C ATOM 595 CE LYS A 40 -5.862 -23.691 -12.995 1.00 0.00 C ATOM 596 NZ LYS A 40 -4.544 -23.027 -12.800 1.00 0.00 N ATOM 0 H LYS A 40 -8.305 -20.188 -12.263 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.157 -19.588 -14.022 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.780 -21.042 -14.126 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.054 -20.584 -15.654 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.201 -22.728 -15.310 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.893 -21.708 -14.746 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.923 -21.924 -12.393 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.947 -23.180 -13.060 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.079 -24.326 -12.136 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.815 -24.341 -13.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.850 -23.725 -12.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.222 -22.624 -13.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.639 -22.268 -12.096 1.00 0.00 H new ATOM 610 N THR A 41 -9.005 -17.975 -14.505 1.00 0.00 N ATOM 611 CA THR A 41 -9.593 -16.806 -15.148 1.00 0.00 C ATOM 612 C THR A 41 -9.588 -15.603 -14.213 1.00 0.00 C ATOM 613 O THR A 41 -9.218 -14.497 -14.610 1.00 0.00 O ATOM 614 CB THR A 41 -11.039 -17.083 -15.602 1.00 0.00 C ATOM 615 OG1 THR A 41 -11.528 -15.982 -16.376 1.00 0.00 O ATOM 616 CG2 THR A 41 -11.948 -17.310 -14.404 1.00 0.00 C ATOM 0 H THR A 41 -9.651 -18.502 -13.917 1.00 0.00 H new ATOM 0 HA THR A 41 -8.981 -16.585 -16.022 1.00 0.00 H new ATOM 0 HB THR A 41 -11.038 -17.985 -16.214 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.447 -16.166 -16.662 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.964 -17.504 -14.749 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.590 -18.166 -13.832 1.00 0.00 H new ATOM 0 HG23 THR A 41 -11.943 -16.423 -13.770 1.00 0.00 H new ATOM 624 N CYS A 42 -9.998 -15.824 -12.969 1.00 0.00 N ATOM 625 CA CYS A 42 -10.040 -14.757 -11.976 1.00 0.00 C ATOM 626 C CYS A 42 -8.643 -14.457 -11.440 1.00 0.00 C ATOM 627 O CYS A 42 -7.720 -15.256 -11.602 1.00 0.00 O ATOM 628 CB CYS A 42 -10.969 -15.142 -10.822 1.00 0.00 C ATOM 629 SG CYS A 42 -12.460 -16.052 -11.340 1.00 0.00 S ATOM 0 H CYS A 42 -10.306 -16.733 -12.624 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.425 -13.859 -12.460 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.413 -15.752 -10.110 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.273 -14.237 -10.297 1.00 0.00 H new ATOM 634 N ASP A 43 -8.496 -13.301 -10.802 1.00 0.00 N ATOM 635 CA ASP A 43 -7.213 -12.896 -10.241 1.00 0.00 C ATOM 636 C ASP A 43 -7.268 -12.878 -8.716 1.00 0.00 C ATOM 637 O ASP A 43 -6.721 -11.979 -8.076 1.00 0.00 O ATOM 638 CB ASP A 43 -6.817 -11.515 -10.766 1.00 0.00 C ATOM 639 CG ASP A 43 -5.355 -11.199 -10.517 1.00 0.00 C ATOM 640 OD1 ASP A 43 -4.498 -12.034 -10.875 1.00 0.00 O ATOM 641 OD2 ASP A 43 -5.068 -10.116 -9.966 1.00 0.00 O ATOM 0 H ASP A 43 -9.249 -12.628 -10.661 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.462 -13.623 -10.551 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.020 -11.464 -11.836 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.436 -10.756 -10.288 1.00 0.00 H new ATOM 646 N TYR A 44 -7.931 -13.875 -8.142 1.00 0.00 N ATOM 647 CA TYR A 44 -8.060 -13.972 -6.693 1.00 0.00 C ATOM 648 C TYR A 44 -6.882 -14.731 -6.090 1.00 0.00 C ATOM 649 O TYR A 44 -6.591 -15.860 -6.482 1.00 0.00 O ATOM 650 CB TYR A 44 -9.372 -14.666 -6.322 1.00 0.00 C ATOM 651 CG TYR A 44 -9.370 -15.260 -4.931 1.00 0.00 C ATOM 652 CD1 TYR A 44 -8.966 -14.509 -3.834 1.00 0.00 C ATOM 653 CD2 TYR A 44 -9.775 -16.571 -4.714 1.00 0.00 C ATOM 654 CE1 TYR A 44 -8.963 -15.048 -2.562 1.00 0.00 C ATOM 655 CE2 TYR A 44 -9.776 -17.118 -3.446 1.00 0.00 C ATOM 656 CZ TYR A 44 -9.369 -16.352 -2.373 1.00 0.00 C ATOM 657 OH TYR A 44 -9.368 -16.892 -1.107 1.00 0.00 O ATOM 0 H TYR A 44 -8.387 -14.627 -8.658 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.064 -12.961 -6.286 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.188 -13.948 -6.400 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.573 -15.456 -7.045 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.649 -13.487 -3.978 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.095 -17.173 -5.552 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.644 -14.451 -1.720 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.093 -18.139 -3.295 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.683 -17.819 -1.147 1.00 0.00 H new ATOM 667 N ALA A 45 -6.207 -14.101 -5.134 1.00 0.00 N ATOM 668 CA ALA A 45 -5.063 -14.717 -4.474 1.00 0.00 C ATOM 669 C ALA A 45 -5.438 -15.231 -3.088 1.00 0.00 C ATOM 670 O ALA A 45 -5.890 -14.469 -2.235 1.00 0.00 O ATOM 671 CB ALA A 45 -3.913 -13.725 -4.377 1.00 0.00 C ATOM 0 H ALA A 45 -6.433 -13.164 -4.799 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.745 -15.569 -5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.065 -14.198 -3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.619 -13.410 -5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.230 -12.855 -3.801 1.00 0.00 H new ATOM 677 N ALA A 46 -5.249 -16.529 -2.873 1.00 0.00 N ATOM 678 CA ALA A 46 -5.567 -17.144 -1.590 1.00 0.00 C ATOM 679 C ALA A 46 -4.310 -17.673 -0.908 1.00 0.00 C ATOM 680 O ALA A 46 -3.338 -18.034 -1.571 1.00 0.00 O ATOM 681 CB ALA A 46 -6.579 -18.265 -1.779 1.00 0.00 C ATOM 0 H ALA A 46 -4.878 -17.174 -3.570 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.003 -16.380 -0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.808 -18.716 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.492 -17.861 -2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.163 -19.022 -2.443 1.00 0.00 H new ATOM 687 N ALA A 47 -4.336 -17.716 0.420 1.00 0.00 N ATOM 688 CA ALA A 47 -3.199 -18.202 1.191 1.00 0.00 C ATOM 689 C ALA A 47 -3.259 -19.716 1.362 1.00 0.00 C ATOM 690 O ALA A 47 -2.293 -20.422 1.071 1.00 0.00 O ATOM 691 CB ALA A 47 -3.150 -17.517 2.549 1.00 0.00 C ATOM 0 H ALA A 47 -5.133 -17.420 0.984 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.289 -17.960 0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.296 -17.890 3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.051 -16.440 2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.068 -17.729 3.097 1.00 0.00 H new ATOM 697 N ASP A 48 -4.398 -20.209 1.836 1.00 0.00 N ATOM 698 CA ASP A 48 -4.583 -21.640 2.046 1.00 0.00 C ATOM 699 C ASP A 48 -5.025 -22.325 0.756 1.00 0.00 C ATOM 700 O ASP A 48 -5.554 -21.683 -0.150 1.00 0.00 O ATOM 701 CB ASP A 48 -5.615 -21.886 3.148 1.00 0.00 C ATOM 702 CG ASP A 48 -5.077 -21.563 4.528 1.00 0.00 C ATOM 703 OD1 ASP A 48 -3.854 -21.704 4.735 1.00 0.00 O ATOM 704 OD2 ASP A 48 -5.879 -21.169 5.400 1.00 0.00 O ATOM 0 H ASP A 48 -5.207 -19.639 2.082 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.627 -22.064 2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.500 -21.279 2.955 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.931 -22.929 3.119 1.00 0.00 H new ATOM 709 N SER A 49 -4.802 -23.634 0.682 1.00 0.00 N ATOM 710 CA SER A 49 -5.172 -24.406 -0.499 1.00 0.00 C ATOM 711 C SER A 49 -6.687 -24.559 -0.595 1.00 0.00 C ATOM 712 O SER A 49 -7.258 -24.524 -1.685 1.00 0.00 O ATOM 713 CB SER A 49 -4.510 -25.784 -0.461 1.00 0.00 C ATOM 714 OG SER A 49 -4.898 -26.504 0.697 1.00 0.00 O ATOM 0 H SER A 49 -4.367 -24.181 1.425 1.00 0.00 H new ATOM 0 HA SER A 49 -4.822 -23.867 -1.380 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.785 -26.348 -1.353 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.426 -25.671 -0.477 1.00 0.00 H new ATOM 0 HG SER A 49 -4.463 -27.382 0.697 1.00 0.00 H new ATOM 720 N SER A 50 -7.332 -24.729 0.555 1.00 0.00 N ATOM 721 CA SER A 50 -8.781 -24.891 0.601 1.00 0.00 C ATOM 722 C SER A 50 -9.485 -23.575 0.289 1.00 0.00 C ATOM 723 O SER A 50 -10.658 -23.559 -0.085 1.00 0.00 O ATOM 724 CB SER A 50 -9.214 -25.401 1.977 1.00 0.00 C ATOM 725 OG SER A 50 -8.669 -24.601 3.012 1.00 0.00 O ATOM 0 H SER A 50 -6.875 -24.758 1.466 1.00 0.00 H new ATOM 0 HA SER A 50 -9.065 -25.622 -0.156 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.302 -25.396 2.044 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.891 -26.434 2.103 1.00 0.00 H new ATOM 0 HG SER A 50 -8.962 -24.946 3.881 1.00 0.00 H new ATOM 731 N SER A 51 -8.761 -22.471 0.446 1.00 0.00 N ATOM 732 CA SER A 51 -9.316 -21.149 0.186 1.00 0.00 C ATOM 733 C SER A 51 -9.506 -20.925 -1.312 1.00 0.00 C ATOM 734 O SER A 51 -10.465 -20.279 -1.738 1.00 0.00 O ATOM 735 CB SER A 51 -8.403 -20.066 0.763 1.00 0.00 C ATOM 736 OG SER A 51 -8.504 -20.013 2.175 1.00 0.00 O ATOM 0 H SER A 51 -7.788 -22.467 0.752 1.00 0.00 H new ATOM 0 HA SER A 51 -10.290 -21.089 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.371 -20.266 0.476 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.670 -19.098 0.340 1.00 0.00 H new ATOM 0 HG SER A 51 -7.910 -19.314 2.519 1.00 0.00 H new ATOM 742 N LEU A 52 -8.587 -21.463 -2.105 1.00 0.00 N ATOM 743 CA LEU A 52 -8.652 -21.323 -3.556 1.00 0.00 C ATOM 744 C LEU A 52 -9.643 -22.315 -4.155 1.00 0.00 C ATOM 745 O LEU A 52 -10.273 -22.039 -5.175 1.00 0.00 O ATOM 746 CB LEU A 52 -7.267 -21.534 -4.170 1.00 0.00 C ATOM 747 CG LEU A 52 -7.186 -21.429 -5.694 1.00 0.00 C ATOM 748 CD1 LEU A 52 -7.251 -19.975 -6.133 1.00 0.00 C ATOM 749 CD2 LEU A 52 -5.913 -22.086 -6.207 1.00 0.00 C ATOM 0 H LEU A 52 -7.788 -22.000 -1.769 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.994 -20.314 -3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.585 -20.802 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.906 -22.519 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.040 -21.955 -6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.192 -19.920 -7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.190 -19.535 -5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.417 -19.425 -5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.872 -22.002 -7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.046 -21.589 -5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.907 -23.139 -5.924 1.00 0.00 H new ATOM 761 N ASN A 53 -9.778 -23.470 -3.512 1.00 0.00 N ATOM 762 CA ASN A 53 -10.695 -24.503 -3.981 1.00 0.00 C ATOM 763 C ASN A 53 -12.145 -24.067 -3.799 1.00 0.00 C ATOM 764 O ASN A 53 -12.970 -24.223 -4.699 1.00 0.00 O ATOM 765 CB ASN A 53 -10.447 -25.813 -3.230 1.00 0.00 C ATOM 766 CG ASN A 53 -9.395 -26.675 -3.902 1.00 0.00 C ATOM 767 OD1 ASN A 53 -8.760 -26.256 -4.870 1.00 0.00 O ATOM 768 ND2 ASN A 53 -9.207 -27.886 -3.391 1.00 0.00 N ATOM 0 H ASN A 53 -9.265 -23.714 -2.665 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.512 -24.660 -5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.133 -25.590 -2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -11.381 -26.371 -3.161 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.513 -28.511 -3.802 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.756 -28.191 -2.588 1.00 0.00 H new ATOM 775 N LYS A 54 -12.450 -23.518 -2.628 1.00 0.00 N ATOM 776 CA LYS A 54 -13.799 -23.056 -2.326 1.00 0.00 C ATOM 777 C LYS A 54 -14.255 -22.009 -3.338 1.00 0.00 C ATOM 778 O LYS A 54 -15.452 -21.822 -3.556 1.00 0.00 O ATOM 779 CB LYS A 54 -13.857 -22.473 -0.912 1.00 0.00 C ATOM 780 CG LYS A 54 -13.032 -21.210 -0.741 1.00 0.00 C ATOM 781 CD LYS A 54 -13.434 -20.447 0.510 1.00 0.00 C ATOM 782 CE LYS A 54 -14.780 -19.760 0.334 1.00 0.00 C ATOM 783 NZ LYS A 54 -14.948 -18.619 1.276 1.00 0.00 N ATOM 0 H LYS A 54 -11.779 -23.382 -1.871 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.471 -23.912 -2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.895 -22.256 -0.660 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -13.507 -23.224 -0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.975 -21.469 -0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.158 -20.571 -1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.482 -21.132 1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.672 -19.703 0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.873 -19.401 -0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.580 -20.483 0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.877 -18.178 1.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.884 -18.965 2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.200 -17.917 1.108 1.00 0.00 H new ATOM 797 N HIS A 55 -13.292 -21.331 -3.955 1.00 0.00 N ATOM 798 CA HIS A 55 -13.595 -20.304 -4.946 1.00 0.00 C ATOM 799 C HIS A 55 -14.026 -20.934 -6.267 1.00 0.00 C ATOM 800 O HIS A 55 -15.123 -20.673 -6.763 1.00 0.00 O ATOM 801 CB HIS A 55 -12.378 -19.406 -5.168 1.00 0.00 C ATOM 802 CG HIS A 55 -12.500 -18.520 -6.370 1.00 0.00 C ATOM 803 ND1 HIS A 55 -13.196 -17.331 -6.361 1.00 0.00 N ATOM 804 CD2 HIS A 55 -12.006 -18.656 -7.623 1.00 0.00 C ATOM 805 CE1 HIS A 55 -13.128 -16.774 -7.557 1.00 0.00 C ATOM 806 NE2 HIS A 55 -12.411 -17.558 -8.342 1.00 0.00 N ATOM 0 H HIS A 55 -12.296 -21.474 -3.786 1.00 0.00 H new ATOM 0 HA HIS A 55 -14.419 -19.699 -4.567 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.227 -18.787 -4.284 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -11.491 -20.030 -5.275 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -13.687 -16.942 -5.556 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.405 -19.475 -7.989 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -13.582 -15.837 -7.844 1.00 0.00 H new ATOM 814 N LEU A 56 -13.156 -21.764 -6.832 1.00 0.00 N ATOM 815 CA LEU A 56 -13.446 -22.431 -8.096 1.00 0.00 C ATOM 816 C LEU A 56 -14.835 -23.062 -8.073 1.00 0.00 C ATOM 817 O LEU A 56 -15.418 -23.343 -9.121 1.00 0.00 O ATOM 818 CB LEU A 56 -12.392 -23.502 -8.385 1.00 0.00 C ATOM 819 CG LEU A 56 -10.943 -23.016 -8.449 1.00 0.00 C ATOM 820 CD1 LEU A 56 -9.985 -24.197 -8.463 1.00 0.00 C ATOM 821 CD2 LEU A 56 -10.729 -22.138 -9.673 1.00 0.00 C ATOM 0 H LEU A 56 -12.244 -21.991 -6.435 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.420 -21.682 -8.887 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.463 -24.271 -7.615 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -12.637 -23.978 -9.334 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.739 -22.420 -7.559 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.959 -23.833 -8.509 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.121 -24.786 -7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.188 -24.820 -9.334 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.693 -21.801 -9.703 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.951 -22.710 -10.574 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.390 -21.273 -9.620 1.00 0.00 H new ATOM 833 N ARG A 57 -15.360 -23.281 -6.872 1.00 0.00 N ATOM 834 CA ARG A 57 -16.680 -23.878 -6.713 1.00 0.00 C ATOM 835 C ARG A 57 -17.770 -22.921 -7.187 1.00 0.00 C ATOM 836 O ARG A 57 -18.613 -23.283 -8.009 1.00 0.00 O ATOM 837 CB ARG A 57 -16.920 -24.255 -5.250 1.00 0.00 C ATOM 838 CG ARG A 57 -16.105 -25.453 -4.789 1.00 0.00 C ATOM 839 CD ARG A 57 -16.807 -26.206 -3.669 1.00 0.00 C ATOM 840 NE ARG A 57 -15.862 -26.917 -2.812 1.00 0.00 N ATOM 841 CZ ARG A 57 -15.151 -27.964 -3.213 1.00 0.00 C ATOM 842 NH1 ARG A 57 -15.276 -28.420 -4.451 1.00 0.00 N ATOM 843 NH2 ARG A 57 -14.311 -28.558 -2.374 1.00 0.00 N ATOM 0 H ARG A 57 -14.891 -23.054 -5.995 1.00 0.00 H new ATOM 0 HA ARG A 57 -16.719 -24.779 -7.325 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -16.681 -23.399 -4.619 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -17.979 -24.470 -5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -15.936 -26.125 -5.630 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -15.126 -25.118 -4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -17.385 -25.505 -3.067 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -17.514 -26.917 -4.097 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.742 -26.591 -1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.920 -27.966 -5.099 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.728 -29.225 -4.756 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.211 -28.210 -1.420 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.765 -29.362 -2.683 1.00 0.00 H new ATOM 857 N ILE A 58 -17.747 -21.700 -6.664 1.00 0.00 N ATOM 858 CA ILE A 58 -18.732 -20.691 -7.035 1.00 0.00 C ATOM 859 C ILE A 58 -18.986 -20.698 -8.538 1.00 0.00 C ATOM 860 O ILE A 58 -20.091 -20.400 -8.993 1.00 0.00 O ATOM 861 CB ILE A 58 -18.283 -19.282 -6.607 1.00 0.00 C ATOM 862 CG1 ILE A 58 -17.456 -18.628 -7.716 1.00 0.00 C ATOM 863 CG2 ILE A 58 -17.485 -19.349 -5.314 1.00 0.00 C ATOM 864 CD1 ILE A 58 -16.886 -17.281 -7.331 1.00 0.00 C ATOM 0 H ILE A 58 -17.057 -21.385 -5.982 1.00 0.00 H new ATOM 0 HA ILE A 58 -19.655 -20.943 -6.512 1.00 0.00 H new ATOM 0 HB ILE A 58 -19.170 -18.672 -6.432 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -16.638 -19.295 -7.989 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -18.080 -18.510 -8.602 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -17.175 -18.345 -5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -18.104 -19.778 -4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -16.603 -19.972 -5.463 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -16.312 -16.877 -8.165 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -17.700 -16.598 -7.086 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -16.235 -17.396 -6.464 1.00 0.00 H new ATOM 876 N HIS A 59 -17.957 -21.041 -9.306 1.00 0.00 N ATOM 877 CA HIS A 59 -18.069 -21.089 -10.759 1.00 0.00 C ATOM 878 C HIS A 59 -19.123 -22.105 -11.189 1.00 0.00 C ATOM 879 O HIS A 59 -19.024 -23.289 -10.870 1.00 0.00 O ATOM 880 CB HIS A 59 -16.719 -21.441 -11.385 1.00 0.00 C ATOM 881 CG HIS A 59 -15.708 -20.340 -11.286 1.00 0.00 C ATOM 882 ND1 HIS A 59 -16.052 -19.010 -11.165 1.00 0.00 N ATOM 883 CD2 HIS A 59 -14.355 -20.378 -11.289 1.00 0.00 C ATOM 884 CE1 HIS A 59 -14.955 -18.278 -11.099 1.00 0.00 C ATOM 885 NE2 HIS A 59 -13.911 -19.084 -11.172 1.00 0.00 N ATOM 0 H HIS A 59 -17.036 -21.290 -8.946 1.00 0.00 H new ATOM 0 HA HIS A 59 -18.376 -20.103 -11.108 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -16.323 -22.332 -10.898 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -16.869 -21.692 -12.435 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -17.005 -18.648 -11.132 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.739 -21.262 -11.369 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -14.918 -17.203 -11.002 1.00 0.00 H new ATOM 893 N SER A 60 -20.131 -21.633 -11.915 1.00 0.00 N ATOM 894 CA SER A 60 -21.206 -22.499 -12.385 1.00 0.00 C ATOM 895 C SER A 60 -21.969 -23.104 -11.211 1.00 0.00 C ATOM 896 O SER A 60 -22.232 -24.306 -11.180 1.00 0.00 O ATOM 897 CB SER A 60 -20.642 -23.613 -13.269 1.00 0.00 C ATOM 898 OG SER A 60 -20.466 -23.167 -14.603 1.00 0.00 O ATOM 0 H SER A 60 -20.226 -20.656 -12.191 1.00 0.00 H new ATOM 0 HA SER A 60 -21.897 -21.893 -12.972 1.00 0.00 H new ATOM 0 HB2 SER A 60 -19.687 -23.952 -12.867 1.00 0.00 H new ATOM 0 HB3 SER A 60 -21.316 -24.469 -13.255 1.00 0.00 H new ATOM 0 HG SER A 60 -20.103 -23.897 -15.147 1.00 0.00 H new ATOM 904 N ASP A 61 -22.322 -22.261 -10.246 1.00 0.00 N ATOM 905 CA ASP A 61 -23.056 -22.710 -9.069 1.00 0.00 C ATOM 906 C ASP A 61 -24.545 -22.841 -9.375 1.00 0.00 C ATOM 907 O ASP A 61 -25.136 -21.970 -10.012 1.00 0.00 O ATOM 908 CB ASP A 61 -22.845 -21.737 -7.908 1.00 0.00 C ATOM 909 CG ASP A 61 -23.143 -20.302 -8.294 1.00 0.00 C ATOM 910 OD1 ASP A 61 -22.498 -19.794 -9.234 1.00 0.00 O ATOM 911 OD2 ASP A 61 -24.023 -19.687 -7.656 1.00 0.00 O ATOM 0 H ASP A 61 -22.111 -21.263 -10.256 1.00 0.00 H new ATOM 0 HA ASP A 61 -22.674 -23.690 -8.785 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -23.485 -22.026 -7.074 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -21.815 -21.810 -7.559 1.00 0.00 H new ATOM 916 N GLU A 62 -25.144 -23.937 -8.917 1.00 0.00 N ATOM 917 CA GLU A 62 -26.563 -24.182 -9.144 1.00 0.00 C ATOM 918 C GLU A 62 -27.415 -23.422 -8.131 1.00 0.00 C ATOM 919 O GLU A 62 -27.144 -23.451 -6.931 1.00 0.00 O ATOM 920 CB GLU A 62 -26.865 -25.679 -9.060 1.00 0.00 C ATOM 921 CG GLU A 62 -28.291 -26.036 -9.445 1.00 0.00 C ATOM 922 CD GLU A 62 -28.621 -27.492 -9.178 1.00 0.00 C ATOM 923 OE1 GLU A 62 -28.995 -27.813 -8.031 1.00 0.00 O ATOM 924 OE2 GLU A 62 -28.504 -28.308 -10.115 1.00 0.00 O ATOM 0 H GLU A 62 -24.669 -24.668 -8.387 1.00 0.00 H new ATOM 0 HA GLU A 62 -26.812 -23.825 -10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -26.176 -26.217 -9.712 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -26.676 -26.023 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -28.983 -25.403 -8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -28.442 -25.821 -10.503 1.00 0.00 H new ATOM 931 N ARG A 63 -28.445 -22.743 -8.625 1.00 0.00 N ATOM 932 CA ARG A 63 -29.336 -21.974 -7.764 1.00 0.00 C ATOM 933 C ARG A 63 -30.793 -22.178 -8.169 1.00 0.00 C ATOM 934 O ARG A 63 -31.164 -22.045 -9.335 1.00 0.00 O ATOM 935 CB ARG A 63 -28.982 -20.486 -7.827 1.00 0.00 C ATOM 936 CG ARG A 63 -27.807 -20.102 -6.943 1.00 0.00 C ATOM 937 CD ARG A 63 -26.995 -18.973 -7.557 1.00 0.00 C ATOM 938 NE ARG A 63 -26.379 -19.365 -8.821 1.00 0.00 N ATOM 939 CZ ARG A 63 -25.968 -18.497 -9.739 1.00 0.00 C ATOM 940 NH1 ARG A 63 -26.106 -17.195 -9.534 1.00 0.00 N ATOM 941 NH2 ARG A 63 -25.417 -18.932 -10.865 1.00 0.00 N ATOM 0 H ARG A 63 -28.683 -22.710 -9.616 1.00 0.00 H new ATOM 0 HA ARG A 63 -29.208 -22.329 -6.741 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -28.752 -20.219 -8.859 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -29.853 -19.901 -7.533 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -28.172 -19.798 -5.962 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -27.167 -20.971 -6.789 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -27.641 -18.110 -7.721 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -26.219 -18.662 -6.857 1.00 0.00 H new ATOM 0 HE ARG A 63 -26.257 -20.360 -9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -26.529 -16.857 -8.670 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -25.789 -16.531 -10.241 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -25.309 -19.933 -11.026 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -25.102 -18.265 -11.569 1.00 0.00 H new ATOM 955 N PRO A 64 -31.640 -22.510 -7.183 1.00 0.00 N ATOM 956 CA PRO A 64 -33.070 -22.741 -7.411 1.00 0.00 C ATOM 957 C PRO A 64 -33.816 -21.456 -7.753 1.00 0.00 C ATOM 958 O PRO A 64 -34.662 -21.436 -8.647 1.00 0.00 O ATOM 959 CB PRO A 64 -33.557 -23.303 -6.074 1.00 0.00 C ATOM 960 CG PRO A 64 -32.594 -22.774 -5.067 1.00 0.00 C ATOM 961 CD PRO A 64 -31.267 -22.687 -5.769 1.00 0.00 C ATOM 0 HA PRO A 64 -33.246 -23.406 -8.257 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -34.575 -22.980 -5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -33.563 -24.393 -6.081 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -32.908 -21.796 -4.703 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -32.535 -23.432 -4.200 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -30.673 -21.850 -5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -30.674 -23.589 -5.620 1.00 0.00 H new ATOM 969 N PHE A 65 -33.498 -20.384 -7.034 1.00 0.00 N ATOM 970 CA PHE A 65 -34.140 -19.094 -7.261 1.00 0.00 C ATOM 971 C PHE A 65 -33.390 -18.292 -8.320 1.00 0.00 C ATOM 972 O PHE A 65 -32.194 -18.031 -8.187 1.00 0.00 O ATOM 973 CB PHE A 65 -34.209 -18.298 -5.956 1.00 0.00 C ATOM 974 CG PHE A 65 -35.075 -18.938 -4.909 1.00 0.00 C ATOM 975 CD1 PHE A 65 -36.453 -18.959 -5.048 1.00 0.00 C ATOM 976 CD2 PHE A 65 -34.510 -19.520 -3.785 1.00 0.00 C ATOM 977 CE1 PHE A 65 -37.252 -19.547 -4.086 1.00 0.00 C ATOM 978 CE2 PHE A 65 -35.304 -20.109 -2.819 1.00 0.00 C ATOM 979 CZ PHE A 65 -36.677 -20.124 -2.970 1.00 0.00 C ATOM 0 H PHE A 65 -32.800 -20.383 -6.290 1.00 0.00 H new ATOM 0 HA PHE A 65 -35.153 -19.279 -7.620 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -33.201 -18.178 -5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -34.588 -17.299 -6.169 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -36.908 -18.510 -5.919 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -33.437 -19.513 -3.663 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -38.325 -19.556 -4.206 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -34.851 -20.557 -1.947 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.299 -20.586 -2.218 1.00 0.00 H new ATOM 989 N LYS A 66 -34.100 -17.903 -9.373 1.00 0.00 N ATOM 990 CA LYS A 66 -33.504 -17.130 -10.456 1.00 0.00 C ATOM 991 C LYS A 66 -34.311 -15.864 -10.729 1.00 0.00 C ATOM 992 O LYS A 66 -35.449 -15.731 -10.278 1.00 0.00 O ATOM 993 CB LYS A 66 -33.418 -17.976 -11.728 1.00 0.00 C ATOM 994 CG LYS A 66 -32.521 -19.194 -11.588 1.00 0.00 C ATOM 995 CD LYS A 66 -33.288 -20.395 -11.061 1.00 0.00 C ATOM 996 CE LYS A 66 -32.695 -21.701 -11.565 1.00 0.00 C ATOM 997 NZ LYS A 66 -33.018 -21.940 -12.999 1.00 0.00 N ATOM 0 H LYS A 66 -35.091 -18.111 -9.500 1.00 0.00 H new ATOM 0 HA LYS A 66 -32.498 -16.841 -10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -34.420 -18.303 -12.005 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -33.048 -17.355 -12.544 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -32.083 -19.437 -12.556 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -31.696 -18.964 -10.914 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -33.276 -20.386 -9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -34.331 -20.325 -11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -31.613 -21.683 -11.435 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -33.074 -22.528 -10.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -32.777 -22.920 -13.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -34.034 -21.782 -13.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -32.469 -21.285 -13.592 1.00 0.00 H new ATOM 1011 N CYS A 67 -33.715 -14.937 -11.471 1.00 0.00 N ATOM 1012 CA CYS A 67 -34.377 -13.682 -11.805 1.00 0.00 C ATOM 1013 C CYS A 67 -34.950 -13.729 -13.219 1.00 0.00 C ATOM 1014 O CYS A 67 -34.551 -14.561 -14.033 1.00 0.00 O ATOM 1015 CB CYS A 67 -33.397 -12.514 -11.679 1.00 0.00 C ATOM 1016 SG CYS A 67 -34.135 -10.884 -12.023 1.00 0.00 S ATOM 0 H CYS A 67 -32.774 -15.032 -11.853 1.00 0.00 H new ATOM 0 HA CYS A 67 -35.198 -13.536 -11.103 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -32.983 -12.508 -10.671 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -32.565 -12.676 -12.364 1.00 0.00 H new ATOM 1021 N GLN A 68 -35.887 -12.830 -13.502 1.00 0.00 N ATOM 1022 CA GLN A 68 -36.515 -12.770 -14.817 1.00 0.00 C ATOM 1023 C GLN A 68 -35.775 -11.796 -15.729 1.00 0.00 C ATOM 1024 O GLN A 68 -35.279 -12.179 -16.789 1.00 0.00 O ATOM 1025 CB GLN A 68 -37.981 -12.352 -14.687 1.00 0.00 C ATOM 1026 CG GLN A 68 -38.892 -13.470 -14.208 1.00 0.00 C ATOM 1027 CD GLN A 68 -40.336 -13.262 -14.618 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -40.633 -12.460 -15.504 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -41.245 -13.986 -13.975 1.00 0.00 N ATOM 0 H GLN A 68 -36.228 -12.134 -12.839 1.00 0.00 H new ATOM 0 HA GLN A 68 -36.466 -13.764 -15.261 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -38.051 -11.515 -13.993 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -38.335 -11.995 -15.654 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -38.538 -14.419 -14.609 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -38.833 -13.541 -13.122 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -40.955 -14.639 -13.247 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -42.233 -13.889 -14.209 1.00 0.00 H new ATOM 1038 N ILE A 69 -35.706 -10.537 -15.310 1.00 0.00 N ATOM 1039 CA ILE A 69 -35.027 -9.510 -16.089 1.00 0.00 C ATOM 1040 C ILE A 69 -33.610 -9.943 -16.453 1.00 0.00 C ATOM 1041 O ILE A 69 -33.191 -9.829 -17.605 1.00 0.00 O ATOM 1042 CB ILE A 69 -34.963 -8.174 -15.325 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -36.374 -7.656 -15.041 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -34.166 -7.148 -16.117 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -36.409 -6.501 -14.065 1.00 0.00 C ATOM 0 H ILE A 69 -36.112 -10.204 -14.436 1.00 0.00 H new ATOM 0 HA ILE A 69 -35.607 -9.370 -17.001 1.00 0.00 H new ATOM 0 HB ILE A 69 -34.459 -8.341 -14.373 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -36.833 -7.343 -15.979 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -36.979 -8.472 -14.647 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -34.130 -6.209 -15.564 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -33.152 -7.516 -16.273 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -34.644 -6.982 -17.082 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -37.441 -6.186 -13.911 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -35.980 -6.815 -13.114 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -35.831 -5.668 -14.466 1.00 0.00 H new ATOM 1057 N CYS A 70 -32.877 -10.441 -15.463 1.00 0.00 N ATOM 1058 CA CYS A 70 -31.508 -10.893 -15.678 1.00 0.00 C ATOM 1059 C CYS A 70 -31.359 -12.368 -15.315 1.00 0.00 C ATOM 1060 O CYS A 70 -32.103 -12.910 -14.497 1.00 0.00 O ATOM 1061 CB CYS A 70 -30.535 -10.052 -14.850 1.00 0.00 C ATOM 1062 SG CYS A 70 -30.693 -10.288 -13.050 1.00 0.00 S ATOM 0 H CYS A 70 -33.208 -10.542 -14.504 1.00 0.00 H new ATOM 0 HA CYS A 70 -31.274 -10.771 -16.736 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -29.516 -10.295 -15.149 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -30.693 -8.999 -15.083 1.00 0.00 H new ATOM 1067 N PRO A 71 -30.374 -13.033 -15.936 1.00 0.00 N ATOM 1068 CA PRO A 71 -30.103 -14.454 -15.694 1.00 0.00 C ATOM 1069 C PRO A 71 -29.529 -14.706 -14.304 1.00 0.00 C ATOM 1070 O PRO A 71 -29.126 -15.824 -13.982 1.00 0.00 O ATOM 1071 CB PRO A 71 -29.073 -14.806 -16.770 1.00 0.00 C ATOM 1072 CG PRO A 71 -28.400 -13.516 -17.088 1.00 0.00 C ATOM 1073 CD PRO A 71 -29.449 -12.451 -16.922 1.00 0.00 C ATOM 0 HA PRO A 71 -31.011 -15.056 -15.740 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -28.359 -15.546 -16.408 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -29.552 -15.231 -17.652 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -27.557 -13.341 -16.420 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -28.006 -13.521 -18.104 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -29.018 -11.515 -16.565 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -29.952 -12.232 -17.864 1.00 0.00 H new ATOM 1081 N TYR A 72 -29.495 -13.661 -13.485 1.00 0.00 N ATOM 1082 CA TYR A 72 -28.969 -13.769 -12.130 1.00 0.00 C ATOM 1083 C TYR A 72 -29.626 -14.924 -11.380 1.00 0.00 C ATOM 1084 O TYR A 72 -30.613 -15.497 -11.842 1.00 0.00 O ATOM 1085 CB TYR A 72 -29.190 -12.461 -11.368 1.00 0.00 C ATOM 1086 CG TYR A 72 -28.766 -12.525 -9.918 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -27.428 -12.411 -9.560 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -29.702 -12.701 -8.907 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -27.036 -12.469 -8.236 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -29.319 -12.760 -7.581 1.00 0.00 C ATOM 1091 CZ TYR A 72 -27.985 -12.643 -7.251 1.00 0.00 C ATOM 1092 OH TYR A 72 -27.599 -12.703 -5.931 1.00 0.00 O ATOM 0 H TYR A 72 -29.826 -12.729 -13.736 1.00 0.00 H new ATOM 0 HA TYR A 72 -27.899 -13.966 -12.199 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -28.637 -11.663 -11.864 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -30.246 -12.196 -11.418 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -26.682 -12.275 -10.329 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -30.747 -12.793 -9.162 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -25.992 -12.379 -7.974 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -30.060 -12.897 -6.807 1.00 0.00 H new ATOM 0 HH TYR A 72 -28.389 -12.827 -5.365 1.00 0.00 H new ATOM 1102 N ALA A 73 -29.072 -15.260 -10.220 1.00 0.00 N ATOM 1103 CA ALA A 73 -29.605 -16.344 -9.404 1.00 0.00 C ATOM 1104 C ALA A 73 -29.063 -16.276 -7.980 1.00 0.00 C ATOM 1105 O ALA A 73 -27.997 -15.711 -7.737 1.00 0.00 O ATOM 1106 CB ALA A 73 -29.274 -17.689 -10.033 1.00 0.00 C ATOM 0 H ALA A 73 -28.254 -14.797 -9.824 1.00 0.00 H new ATOM 0 HA ALA A 73 -30.688 -16.233 -9.358 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -29.678 -18.490 -9.413 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -29.714 -17.743 -11.029 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -28.192 -17.799 -10.108 1.00 0.00 H new ATOM 1112 N SER A 74 -29.805 -16.856 -7.042 1.00 0.00 N ATOM 1113 CA SER A 74 -29.402 -16.857 -5.641 1.00 0.00 C ATOM 1114 C SER A 74 -29.830 -18.150 -4.953 1.00 0.00 C ATOM 1115 O SER A 74 -30.530 -18.975 -5.540 1.00 0.00 O ATOM 1116 CB SER A 74 -30.006 -15.655 -4.913 1.00 0.00 C ATOM 1117 OG SER A 74 -29.187 -15.250 -3.830 1.00 0.00 O ATOM 0 H SER A 74 -30.688 -17.331 -7.227 1.00 0.00 H new ATOM 0 HA SER A 74 -28.315 -16.788 -5.602 1.00 0.00 H new ATOM 0 HB2 SER A 74 -30.127 -14.827 -5.611 1.00 0.00 H new ATOM 0 HB3 SER A 74 -31.000 -15.910 -4.546 1.00 0.00 H new ATOM 0 HG SER A 74 -29.158 -14.271 -3.790 1.00 0.00 H new ATOM 1123 N ARG A 75 -29.403 -18.319 -3.706 1.00 0.00 N ATOM 1124 CA ARG A 75 -29.741 -19.511 -2.938 1.00 0.00 C ATOM 1125 C ARG A 75 -31.004 -19.286 -2.111 1.00 0.00 C ATOM 1126 O ARG A 75 -31.839 -20.179 -1.981 1.00 0.00 O ATOM 1127 CB ARG A 75 -28.580 -19.898 -2.020 1.00 0.00 C ATOM 1128 CG ARG A 75 -27.459 -20.636 -2.734 1.00 0.00 C ATOM 1129 CD ARG A 75 -26.414 -19.673 -3.275 1.00 0.00 C ATOM 1130 NE ARG A 75 -25.293 -20.374 -3.896 1.00 0.00 N ATOM 1131 CZ ARG A 75 -24.413 -21.100 -3.216 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -24.524 -21.221 -1.900 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -23.420 -21.708 -3.852 1.00 0.00 N ATOM 0 H ARG A 75 -28.822 -17.646 -3.206 1.00 0.00 H new ATOM 0 HA ARG A 75 -29.927 -20.324 -3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -28.175 -18.996 -1.561 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -28.959 -20.524 -1.213 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -26.987 -21.337 -2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -27.873 -21.223 -3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -26.876 -19.010 -4.006 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -26.045 -19.046 -2.464 1.00 0.00 H new ATOM 0 HE ARG A 75 -25.180 -20.302 -4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -25.287 -20.756 -1.408 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -23.847 -21.779 -1.380 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -23.332 -21.618 -4.864 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -22.745 -22.265 -3.329 1.00 0.00 H new ATOM 1147 N ASN A 76 -31.134 -18.087 -1.554 1.00 0.00 N ATOM 1148 CA ASN A 76 -32.294 -17.744 -0.739 1.00 0.00 C ATOM 1149 C ASN A 76 -33.346 -17.015 -1.569 1.00 0.00 C ATOM 1150 O ASN A 76 -33.041 -16.452 -2.620 1.00 0.00 O ATOM 1151 CB ASN A 76 -31.871 -16.875 0.447 1.00 0.00 C ATOM 1152 CG ASN A 76 -31.130 -17.666 1.508 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -31.724 -18.465 2.231 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -29.824 -17.444 1.606 1.00 0.00 N ATOM 0 H ASN A 76 -30.451 -17.336 -1.652 1.00 0.00 H new ATOM 0 HA ASN A 76 -32.730 -18.670 -0.365 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -31.235 -16.064 0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -32.754 -16.416 0.891 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -29.272 -17.946 2.302 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -29.373 -16.772 0.985 1.00 0.00 H new ATOM 1161 N SER A 77 -34.585 -17.030 -1.089 1.00 0.00 N ATOM 1162 CA SER A 77 -35.684 -16.373 -1.787 1.00 0.00 C ATOM 1163 C SER A 77 -35.625 -14.861 -1.592 1.00 0.00 C ATOM 1164 O SER A 77 -35.495 -14.104 -2.554 1.00 0.00 O ATOM 1165 CB SER A 77 -37.027 -16.911 -1.290 1.00 0.00 C ATOM 1166 OG SER A 77 -38.097 -16.411 -2.073 1.00 0.00 O ATOM 0 H SER A 77 -34.853 -17.490 -0.219 1.00 0.00 H new ATOM 0 HA SER A 77 -35.586 -16.589 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 77 -37.023 -18.000 -1.328 1.00 0.00 H new ATOM 0 HB3 SER A 77 -37.172 -16.629 -0.247 1.00 0.00 H new ATOM 0 HG SER A 77 -38.944 -16.771 -1.737 1.00 0.00 H new ATOM 1172 N SER A 78 -35.721 -14.428 -0.339 1.00 0.00 N ATOM 1173 CA SER A 78 -35.683 -13.007 -0.016 1.00 0.00 C ATOM 1174 C SER A 78 -34.637 -12.285 -0.861 1.00 0.00 C ATOM 1175 O SER A 78 -34.937 -11.289 -1.519 1.00 0.00 O ATOM 1176 CB SER A 78 -35.378 -12.808 1.471 1.00 0.00 C ATOM 1177 OG SER A 78 -34.211 -13.516 1.851 1.00 0.00 O ATOM 0 H SER A 78 -35.826 -15.041 0.469 1.00 0.00 H new ATOM 0 HA SER A 78 -36.662 -12.583 -0.240 1.00 0.00 H new ATOM 0 HB2 SER A 78 -35.247 -11.746 1.680 1.00 0.00 H new ATOM 0 HB3 SER A 78 -36.224 -13.148 2.068 1.00 0.00 H new ATOM 0 HG SER A 78 -34.037 -13.371 2.804 1.00 0.00 H new ATOM 1183 N GLN A 79 -33.411 -12.797 -0.838 1.00 0.00 N ATOM 1184 CA GLN A 79 -32.321 -12.201 -1.602 1.00 0.00 C ATOM 1185 C GLN A 79 -32.800 -11.761 -2.981 1.00 0.00 C ATOM 1186 O GLN A 79 -32.545 -10.634 -3.408 1.00 0.00 O ATOM 1187 CB GLN A 79 -31.166 -13.195 -1.743 1.00 0.00 C ATOM 1188 CG GLN A 79 -30.145 -13.104 -0.621 1.00 0.00 C ATOM 1189 CD GLN A 79 -29.386 -11.791 -0.627 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -29.955 -10.731 -0.364 1.00 0.00 O ATOM 1191 NE2 GLN A 79 -28.095 -11.855 -0.929 1.00 0.00 N ATOM 0 H GLN A 79 -33.147 -13.622 -0.299 1.00 0.00 H new ATOM 0 HA GLN A 79 -31.970 -11.322 -1.062 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -31.570 -14.207 -1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -30.664 -13.023 -2.695 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -30.652 -13.222 0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -29.438 -13.928 -0.711 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -27.665 -12.755 -1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -27.533 -11.004 -0.950 1.00 0.00 H new ATOM 1200 N LEU A 80 -33.493 -12.657 -3.675 1.00 0.00 N ATOM 1201 CA LEU A 80 -34.008 -12.361 -5.007 1.00 0.00 C ATOM 1202 C LEU A 80 -35.022 -11.222 -4.959 1.00 0.00 C ATOM 1203 O LEU A 80 -34.962 -10.287 -5.758 1.00 0.00 O ATOM 1204 CB LEU A 80 -34.653 -13.608 -5.615 1.00 0.00 C ATOM 1205 CG LEU A 80 -35.384 -13.406 -6.943 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -34.389 -13.271 -8.085 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -36.345 -14.557 -7.203 1.00 0.00 C ATOM 0 H LEU A 80 -33.711 -13.594 -3.337 1.00 0.00 H new ATOM 0 HA LEU A 80 -33.171 -12.051 -5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -33.877 -14.359 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -35.360 -14.016 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 80 -35.962 -12.484 -6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -34.928 -13.128 -9.022 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -33.742 -12.413 -7.904 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -33.784 -14.175 -8.149 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -36.856 -14.397 -8.152 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -35.789 -15.493 -7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -37.079 -14.607 -6.399 1.00 0.00 H new ATOM 1219 N THR A 81 -35.954 -11.306 -4.014 1.00 0.00 N ATOM 1220 CA THR A 81 -36.980 -10.283 -3.860 1.00 0.00 C ATOM 1221 C THR A 81 -36.367 -8.887 -3.841 1.00 0.00 C ATOM 1222 O THR A 81 -36.864 -7.971 -4.495 1.00 0.00 O ATOM 1223 CB THR A 81 -37.793 -10.492 -2.568 1.00 0.00 C ATOM 1224 OG1 THR A 81 -38.384 -11.796 -2.568 1.00 0.00 O ATOM 1225 CG2 THR A 81 -38.880 -9.437 -2.436 1.00 0.00 C ATOM 0 H THR A 81 -36.019 -12.072 -3.344 1.00 0.00 H new ATOM 0 HA THR A 81 -37.646 -10.373 -4.718 1.00 0.00 H new ATOM 0 HB THR A 81 -37.115 -10.400 -1.719 1.00 0.00 H new ATOM 0 HG1 THR A 81 -38.898 -11.922 -1.743 1.00 0.00 H new ATOM 0 HG21 THR A 81 -39.441 -9.605 -1.516 1.00 0.00 H new ATOM 0 HG22 THR A 81 -38.425 -8.447 -2.408 1.00 0.00 H new ATOM 0 HG23 THR A 81 -39.555 -9.501 -3.289 1.00 0.00 H new ATOM 1233 N VAL A 82 -35.284 -8.732 -3.086 1.00 0.00 N ATOM 1234 CA VAL A 82 -34.602 -7.448 -2.983 1.00 0.00 C ATOM 1235 C VAL A 82 -33.785 -7.157 -4.237 1.00 0.00 C ATOM 1236 O VAL A 82 -33.922 -6.097 -4.849 1.00 0.00 O ATOM 1237 CB VAL A 82 -33.672 -7.403 -1.756 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -33.041 -6.026 -1.613 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -34.434 -7.783 -0.496 1.00 0.00 C ATOM 0 H VAL A 82 -34.860 -9.480 -2.537 1.00 0.00 H new ATOM 0 HA VAL A 82 -35.375 -6.688 -2.872 1.00 0.00 H new ATOM 0 HB VAL A 82 -32.872 -8.129 -1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -32.388 -6.014 -0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -32.459 -5.798 -2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -33.824 -5.278 -1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -33.762 -7.746 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -35.256 -7.084 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -34.832 -8.792 -0.602 1.00 0.00 H new ATOM 1249 N HIS A 83 -32.935 -8.107 -4.616 1.00 0.00 N ATOM 1250 CA HIS A 83 -32.096 -7.953 -5.799 1.00 0.00 C ATOM 1251 C HIS A 83 -32.864 -7.267 -6.925 1.00 0.00 C ATOM 1252 O HIS A 83 -32.313 -6.439 -7.652 1.00 0.00 O ATOM 1253 CB HIS A 83 -31.587 -9.316 -6.270 1.00 0.00 C ATOM 1254 CG HIS A 83 -31.364 -9.394 -7.749 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -30.110 -9.432 -8.320 1.00 0.00 N ATOM 1256 CD2 HIS A 83 -32.245 -9.444 -8.776 1.00 0.00 C ATOM 1257 CE1 HIS A 83 -30.228 -9.499 -9.634 1.00 0.00 C ATOM 1258 NE2 HIS A 83 -31.514 -9.509 -9.936 1.00 0.00 N ATOM 0 H HIS A 83 -32.809 -8.990 -4.121 1.00 0.00 H new ATOM 0 HA HIS A 83 -31.244 -7.328 -5.531 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -30.652 -9.542 -5.758 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -32.304 -10.083 -5.978 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -29.228 -9.412 -7.808 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -33.322 -9.435 -8.697 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -29.412 -9.539 -10.341 1.00 0.00 H new ATOM 1266 N LEU A 84 -34.138 -7.617 -7.064 1.00 0.00 N ATOM 1267 CA LEU A 84 -34.982 -7.035 -8.102 1.00 0.00 C ATOM 1268 C LEU A 84 -34.858 -5.515 -8.116 1.00 0.00 C ATOM 1269 O LEU A 84 -34.711 -4.904 -9.175 1.00 0.00 O ATOM 1270 CB LEU A 84 -36.441 -7.438 -7.885 1.00 0.00 C ATOM 1271 CG LEU A 84 -36.800 -8.880 -8.244 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -38.149 -9.258 -7.651 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -36.808 -9.068 -9.754 1.00 0.00 C ATOM 0 H LEU A 84 -34.609 -8.301 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 84 -34.646 -7.417 -9.066 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -36.690 -7.273 -6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -37.072 -6.771 -8.472 1.00 0.00 H new ATOM 0 HG LEU A 84 -36.042 -9.539 -7.820 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -38.388 -10.288 -7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -38.109 -9.164 -6.566 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -38.918 -8.594 -8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -37.066 -10.100 -9.991 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -37.544 -8.399 -10.200 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -35.820 -8.840 -10.154 1.00 0.00 H new ATOM 1285 N ARG A 85 -34.917 -4.911 -6.934 1.00 0.00 N ATOM 1286 CA ARG A 85 -34.811 -3.462 -6.810 1.00 0.00 C ATOM 1287 C ARG A 85 -33.595 -2.940 -7.568 1.00 0.00 C ATOM 1288 O ARG A 85 -33.633 -1.857 -8.153 1.00 0.00 O ATOM 1289 CB ARG A 85 -34.719 -3.060 -5.337 1.00 0.00 C ATOM 1290 CG ARG A 85 -33.323 -3.207 -4.752 1.00 0.00 C ATOM 1291 CD ARG A 85 -33.351 -3.184 -3.232 1.00 0.00 C ATOM 1292 NE ARG A 85 -33.228 -1.828 -2.703 1.00 0.00 N ATOM 1293 CZ ARG A 85 -34.253 -0.993 -2.574 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -35.471 -1.373 -2.934 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -34.060 0.225 -2.084 1.00 0.00 N ATOM 0 H ARG A 85 -35.038 -5.402 -6.048 1.00 0.00 H new ATOM 0 HA ARG A 85 -35.707 -3.018 -7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -35.041 -2.024 -5.231 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -35.412 -3.670 -4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -32.880 -4.142 -5.095 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -32.687 -2.401 -5.118 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -34.282 -3.627 -2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -32.539 -3.799 -2.845 1.00 0.00 H new ATOM 0 HE ARG A 85 -32.304 -1.504 -2.417 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -35.623 -2.309 -3.311 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -36.256 -0.730 -2.834 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -33.124 0.521 -1.806 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -34.848 0.866 -1.985 1.00 0.00 H new ATOM 1309 N SER A 86 -32.516 -3.716 -7.554 1.00 0.00 N ATOM 1310 CA SER A 86 -31.286 -3.330 -8.236 1.00 0.00 C ATOM 1311 C SER A 86 -31.579 -2.860 -9.658 1.00 0.00 C ATOM 1312 O SER A 86 -30.854 -2.034 -10.213 1.00 0.00 O ATOM 1313 CB SER A 86 -30.305 -4.502 -8.266 1.00 0.00 C ATOM 1314 OG SER A 86 -30.062 -4.998 -6.960 1.00 0.00 O ATOM 0 H SER A 86 -32.469 -4.617 -7.077 1.00 0.00 H new ATOM 0 HA SER A 86 -30.837 -2.504 -7.684 1.00 0.00 H new ATOM 0 HB2 SER A 86 -30.705 -5.299 -8.892 1.00 0.00 H new ATOM 0 HB3 SER A 86 -29.366 -4.183 -8.718 1.00 0.00 H new ATOM 0 HG SER A 86 -30.779 -5.616 -6.706 1.00 0.00 H new ATOM 1320 N HIS A 87 -32.647 -3.394 -10.243 1.00 0.00 N ATOM 1321 CA HIS A 87 -33.037 -3.029 -11.600 1.00 0.00 C ATOM 1322 C HIS A 87 -33.720 -1.665 -11.622 1.00 0.00 C ATOM 1323 O HIS A 87 -34.943 -1.570 -11.512 1.00 0.00 O ATOM 1324 CB HIS A 87 -33.970 -4.089 -12.187 1.00 0.00 C ATOM 1325 CG HIS A 87 -33.336 -5.441 -12.314 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -32.137 -5.652 -12.961 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -33.741 -6.654 -11.871 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -31.832 -6.936 -12.912 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -32.790 -7.566 -12.255 1.00 0.00 N ATOM 0 H HIS A 87 -33.257 -4.080 -9.799 1.00 0.00 H new ATOM 0 HA HIS A 87 -32.134 -2.973 -12.208 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -34.856 -4.170 -11.558 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -34.306 -3.761 -13.170 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -31.573 -4.929 -13.408 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -34.644 -6.865 -11.318 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -30.950 -7.393 -13.336 1.00 0.00 H new ATOM 1337 N THR A 88 -32.922 -0.611 -11.763 1.00 0.00 N ATOM 1338 CA THR A 88 -33.450 0.747 -11.797 1.00 0.00 C ATOM 1339 C THR A 88 -32.388 1.737 -12.263 1.00 0.00 C ATOM 1340 O THR A 88 -31.258 1.724 -11.778 1.00 0.00 O ATOM 1341 CB THR A 88 -33.970 1.182 -10.414 1.00 0.00 C ATOM 1342 OG1 THR A 88 -34.617 2.456 -10.512 1.00 0.00 O ATOM 1343 CG2 THR A 88 -32.831 1.264 -9.408 1.00 0.00 C ATOM 0 H THR A 88 -31.908 -0.672 -11.855 1.00 0.00 H new ATOM 0 HA THR A 88 -34.279 0.747 -12.505 1.00 0.00 H new ATOM 0 HB THR A 88 -34.686 0.436 -10.069 1.00 0.00 H new ATOM 0 HG1 THR A 88 -34.946 2.725 -9.629 1.00 0.00 H new ATOM 0 HG21 THR A 88 -33.223 1.573 -8.439 1.00 0.00 H new ATOM 0 HG22 THR A 88 -32.358 0.286 -9.313 1.00 0.00 H new ATOM 0 HG23 THR A 88 -32.095 1.991 -9.750 1.00 0.00 H new ATOM 1351 N GLY A 89 -32.761 2.597 -13.206 1.00 0.00 N ATOM 1352 CA GLY A 89 -31.829 3.583 -13.721 1.00 0.00 C ATOM 1353 C GLY A 89 -32.050 3.877 -15.192 1.00 0.00 C ATOM 1354 O GLY A 89 -32.822 4.770 -15.544 1.00 0.00 O ATOM 0 H GLY A 89 -33.692 2.628 -13.622 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -31.929 4.506 -13.150 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -30.810 3.226 -13.574 1.00 0.00 H new ATOM 1358 N ASP A 90 -31.371 3.127 -16.053 1.00 0.00 N ATOM 1359 CA ASP A 90 -31.497 3.312 -17.493 1.00 0.00 C ATOM 1360 C ASP A 90 -32.955 3.525 -17.889 1.00 0.00 C ATOM 1361 O ASP A 90 -33.752 2.587 -17.889 1.00 0.00 O ATOM 1362 CB ASP A 90 -30.926 2.104 -18.237 1.00 0.00 C ATOM 1363 CG ASP A 90 -29.413 2.035 -18.153 1.00 0.00 C ATOM 1364 OD1 ASP A 90 -28.783 3.089 -17.924 1.00 0.00 O ATOM 1365 OD2 ASP A 90 -28.860 0.928 -18.317 1.00 0.00 O ATOM 0 H ASP A 90 -30.727 2.385 -15.778 1.00 0.00 H new ATOM 0 HA ASP A 90 -30.930 4.201 -17.770 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -31.352 1.191 -17.822 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -31.227 2.150 -19.284 1.00 0.00 H new ATOM 1370 N SER A 91 -33.297 4.765 -18.224 1.00 0.00 N ATOM 1371 CA SER A 91 -34.661 5.102 -18.616 1.00 0.00 C ATOM 1372 C SER A 91 -34.685 6.377 -19.454 1.00 0.00 C ATOM 1373 O SER A 91 -33.965 7.333 -19.172 1.00 0.00 O ATOM 1374 CB SER A 91 -35.542 5.276 -17.378 1.00 0.00 C ATOM 1375 OG SER A 91 -35.851 4.023 -16.791 1.00 0.00 O ATOM 0 H SER A 91 -32.649 5.553 -18.232 1.00 0.00 H new ATOM 0 HA SER A 91 -35.053 4.283 -19.219 1.00 0.00 H new ATOM 0 HB2 SER A 91 -35.031 5.906 -16.650 1.00 0.00 H new ATOM 0 HB3 SER A 91 -36.463 5.789 -17.653 1.00 0.00 H new ATOM 0 HG SER A 91 -35.250 3.337 -17.150 1.00 0.00 H new ATOM 1381 N GLY A 92 -35.521 6.382 -20.488 1.00 0.00 N ATOM 1382 CA GLY A 92 -35.625 7.543 -21.353 1.00 0.00 C ATOM 1383 C GLY A 92 -35.069 7.285 -22.739 1.00 0.00 C ATOM 1384 O GLY A 92 -35.689 6.615 -23.565 1.00 0.00 O ATOM 0 H GLY A 92 -36.128 5.603 -20.742 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -36.671 7.839 -21.434 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -35.091 8.378 -20.900 1.00 0.00 H new ATOM 1388 N PRO A 93 -33.872 7.826 -23.011 1.00 0.00 N ATOM 1389 CA PRO A 93 -33.207 7.665 -24.307 1.00 0.00 C ATOM 1390 C PRO A 93 -32.723 6.238 -24.538 1.00 0.00 C ATOM 1391 O PRO A 93 -32.287 5.889 -25.635 1.00 0.00 O ATOM 1392 CB PRO A 93 -32.018 8.625 -24.217 1.00 0.00 C ATOM 1393 CG PRO A 93 -31.742 8.751 -22.759 1.00 0.00 C ATOM 1394 CD PRO A 93 -33.076 8.636 -22.074 1.00 0.00 C ATOM 0 HA PRO A 93 -33.880 7.874 -25.139 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -31.152 8.234 -24.751 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -32.256 9.592 -24.660 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -31.061 7.969 -22.422 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -31.268 9.706 -22.533 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -32.988 8.153 -21.101 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -33.527 9.614 -21.905 1.00 0.00 H new ATOM 1402 N SER A 94 -32.803 5.415 -23.497 1.00 0.00 N ATOM 1403 CA SER A 94 -32.370 4.026 -23.585 1.00 0.00 C ATOM 1404 C SER A 94 -33.531 3.076 -23.307 1.00 0.00 C ATOM 1405 O SER A 94 -34.148 3.127 -22.243 1.00 0.00 O ATOM 1406 CB SER A 94 -31.232 3.760 -22.597 1.00 0.00 C ATOM 1407 OG SER A 94 -30.160 4.665 -22.799 1.00 0.00 O ATOM 0 H SER A 94 -33.164 5.687 -22.583 1.00 0.00 H new ATOM 0 HA SER A 94 -32.011 3.847 -24.599 1.00 0.00 H new ATOM 0 HB2 SER A 94 -31.603 3.853 -21.576 1.00 0.00 H new ATOM 0 HB3 SER A 94 -30.875 2.737 -22.715 1.00 0.00 H new ATOM 0 HG SER A 94 -29.446 4.476 -22.155 1.00 0.00 H new ATOM 1413 N SER A 95 -33.823 2.210 -24.273 1.00 0.00 N ATOM 1414 CA SER A 95 -34.913 1.251 -24.135 1.00 0.00 C ATOM 1415 C SER A 95 -34.931 0.647 -22.734 1.00 0.00 C ATOM 1416 O SER A 95 -33.899 0.563 -22.069 1.00 0.00 O ATOM 1417 CB SER A 95 -34.778 0.141 -25.180 1.00 0.00 C ATOM 1418 OG SER A 95 -35.890 -0.737 -25.137 1.00 0.00 O ATOM 0 H SER A 95 -33.320 2.153 -25.159 1.00 0.00 H new ATOM 0 HA SER A 95 -35.853 1.780 -24.296 1.00 0.00 H new ATOM 0 HB2 SER A 95 -34.696 0.581 -26.174 1.00 0.00 H new ATOM 0 HB3 SER A 95 -33.860 -0.420 -25.003 1.00 0.00 H new ATOM 0 HG SER A 95 -35.781 -1.436 -25.815 1.00 0.00 H new ATOM 1424 N GLY A 96 -36.113 0.226 -22.293 1.00 0.00 N ATOM 1425 CA GLY A 96 -36.244 -0.365 -20.974 1.00 0.00 C ATOM 1426 C GLY A 96 -37.620 -0.958 -20.740 1.00 0.00 C ATOM 1427 O GLY A 96 -38.610 -0.352 -21.145 1.00 0.00 O ATOM 0 H GLY A 96 -36.981 0.284 -22.825 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -35.490 -1.143 -20.851 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -36.045 0.394 -20.217 1.00 0.00 H new TER 1431 GLY A 96 HETATM 1432 ZN ZN A 191 14.227 -6.496 -9.348 1.00 0.00 ZN HETATM 1433 ZN ZN A 241 -12.406 -18.179 -10.347 1.00 0.00 ZN HETATM 1434 ZN ZN A 291 -32.295 -9.366 -11.883 1.00 0.00 ZN