USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 625 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 24 HIS HD1 : A 24 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 50 HIS HD1 : A 50 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.073 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.0095) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0816 X(o=-0.082,f=-0.082) USER MOD Single : A 28 LYS NZ :NH3+ -103:sc= 0.0222 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.0522! C(o=0.052!,f=-7.2!) USER MOD Single : A 31 MET CE :methyl 161:sc= -1.98 (180deg=-2.39!) USER MOD Single : A 32 TYR OH : rot 38:sc= 0.114 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.149) USER MOD Single : A 54 GLN : amide:sc= -0.0853 K(o=-0.085,f=-1.4!) USER MOD Single : A 57 SER OG : rot 45:sc= 0.205 USER MOD Single : A 59 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.323) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.109 K(o=-0.11,f=-0.91) USER MOD Single : A 74 THR OG1 : rot 45:sc= 0.302 USER MOD Single : A 75 ASN : amide:sc=-0.00956 X(o=-0.0096,f=-0.0096) USER MOD Single : A 78 LYS NZ :NH3+ -157:sc= -0.0653 (180deg=-0.389) USER MOD Single : A 79 SER OG : rot 180:sc= -0.0236 USER MOD Single : A 82 SER OG : rot 51:sc= 1.26 USER MOD Single : A 83 SER OG : rot 37:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -44.996 -10.286 32.760 1.00 0.00 N ATOM 2 CA GLY A 1 -43.923 -9.774 31.927 1.00 0.00 C ATOM 3 C GLY A 1 -43.746 -10.575 30.652 1.00 0.00 C ATOM 4 O GLY A 1 -44.389 -11.608 30.466 1.00 0.00 O ATOM 0 H1 GLY A 1 -45.690 -9.532 32.934 1.00 0.00 H new ATOM 0 H2 GLY A 1 -45.462 -11.081 32.277 1.00 0.00 H new ATOM 0 H3 GLY A 1 -44.606 -10.613 33.667 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -44.129 -8.734 31.673 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -42.991 -9.786 32.492 1.00 0.00 H new ATOM 8 N SER A 2 -42.873 -10.098 29.771 1.00 0.00 N ATOM 9 CA SER A 2 -42.617 -10.774 28.505 1.00 0.00 C ATOM 10 C SER A 2 -41.473 -10.102 27.752 1.00 0.00 C ATOM 11 O SER A 2 -41.163 -8.934 27.985 1.00 0.00 O ATOM 12 CB SER A 2 -43.880 -10.777 27.640 1.00 0.00 C ATOM 13 OG SER A 2 -43.877 -11.870 26.738 1.00 0.00 O ATOM 0 H SER A 2 -42.331 -9.245 29.911 1.00 0.00 H new ATOM 0 HA SER A 2 -42.331 -11.803 28.722 1.00 0.00 H new ATOM 0 HB2 SER A 2 -44.762 -10.831 28.278 1.00 0.00 H new ATOM 0 HB3 SER A 2 -43.946 -9.842 27.083 1.00 0.00 H new ATOM 0 HG SER A 2 -44.695 -11.851 26.198 1.00 0.00 H new ATOM 19 N SER A 3 -40.849 -10.850 26.847 1.00 0.00 N ATOM 20 CA SER A 3 -39.737 -10.329 26.061 1.00 0.00 C ATOM 21 C SER A 3 -39.351 -11.304 24.952 1.00 0.00 C ATOM 22 O SER A 3 -39.807 -12.446 24.929 1.00 0.00 O ATOM 23 CB SER A 3 -38.529 -10.062 26.962 1.00 0.00 C ATOM 24 OG SER A 3 -37.949 -11.274 27.411 1.00 0.00 O ATOM 0 H SER A 3 -41.095 -11.818 26.640 1.00 0.00 H new ATOM 0 HA SER A 3 -40.056 -9.392 25.604 1.00 0.00 H new ATOM 0 HB2 SER A 3 -37.786 -9.480 26.416 1.00 0.00 H new ATOM 0 HB3 SER A 3 -38.836 -9.463 27.819 1.00 0.00 H new ATOM 0 HG SER A 3 -37.178 -11.076 27.983 1.00 0.00 H new ATOM 30 N GLY A 4 -38.508 -10.843 24.034 1.00 0.00 N ATOM 31 CA GLY A 4 -38.075 -11.685 22.935 1.00 0.00 C ATOM 32 C GLY A 4 -36.991 -11.035 22.098 1.00 0.00 C ATOM 33 O GLY A 4 -36.491 -9.964 22.441 1.00 0.00 O ATOM 0 H GLY A 4 -38.117 -9.901 24.032 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -37.706 -12.631 23.330 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -38.930 -11.916 22.300 1.00 0.00 H new ATOM 37 N SER A 5 -36.626 -11.684 20.997 1.00 0.00 N ATOM 38 CA SER A 5 -35.590 -11.165 20.111 1.00 0.00 C ATOM 39 C SER A 5 -35.605 -11.896 18.772 1.00 0.00 C ATOM 40 O SER A 5 -36.243 -12.938 18.628 1.00 0.00 O ATOM 41 CB SER A 5 -34.214 -11.304 20.765 1.00 0.00 C ATOM 42 OG SER A 5 -33.999 -12.626 21.226 1.00 0.00 O ATOM 0 H SER A 5 -37.032 -12.570 20.697 1.00 0.00 H new ATOM 0 HA SER A 5 -35.794 -10.109 19.932 1.00 0.00 H new ATOM 0 HB2 SER A 5 -33.438 -11.035 20.048 1.00 0.00 H new ATOM 0 HB3 SER A 5 -34.132 -10.607 21.599 1.00 0.00 H new ATOM 0 HG SER A 5 -33.112 -12.689 21.638 1.00 0.00 H new ATOM 48 N SER A 6 -34.896 -11.340 17.794 1.00 0.00 N ATOM 49 CA SER A 6 -34.830 -11.935 16.465 1.00 0.00 C ATOM 50 C SER A 6 -33.486 -11.641 15.804 1.00 0.00 C ATOM 51 O SER A 6 -32.853 -10.625 16.086 1.00 0.00 O ATOM 52 CB SER A 6 -35.968 -11.407 15.589 1.00 0.00 C ATOM 53 OG SER A 6 -36.280 -12.321 14.552 1.00 0.00 O ATOM 0 H SER A 6 -34.360 -10.479 17.898 1.00 0.00 H new ATOM 0 HA SER A 6 -34.934 -13.015 16.572 1.00 0.00 H new ATOM 0 HB2 SER A 6 -36.852 -11.232 16.202 1.00 0.00 H new ATOM 0 HB3 SER A 6 -35.684 -10.447 15.158 1.00 0.00 H new ATOM 0 HG SER A 6 -37.011 -11.961 14.008 1.00 0.00 H new ATOM 59 N GLY A 7 -33.057 -12.539 14.923 1.00 0.00 N ATOM 60 CA GLY A 7 -31.792 -12.359 14.236 1.00 0.00 C ATOM 61 C GLY A 7 -31.972 -11.958 12.785 1.00 0.00 C ATOM 62 O GLY A 7 -33.009 -11.410 12.409 1.00 0.00 O ATOM 0 H GLY A 7 -33.563 -13.388 14.673 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -31.208 -11.596 14.751 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -31.220 -13.286 14.285 1.00 0.00 H new ATOM 66 N VAL A 8 -30.960 -12.228 11.968 1.00 0.00 N ATOM 67 CA VAL A 8 -31.010 -11.890 10.550 1.00 0.00 C ATOM 68 C VAL A 8 -30.317 -12.954 9.707 1.00 0.00 C ATOM 69 O VAL A 8 -29.111 -13.166 9.827 1.00 0.00 O ATOM 70 CB VAL A 8 -30.354 -10.524 10.275 1.00 0.00 C ATOM 71 CG1 VAL A 8 -28.895 -10.536 10.706 1.00 0.00 C ATOM 72 CG2 VAL A 8 -30.480 -10.160 8.803 1.00 0.00 C ATOM 0 H VAL A 8 -30.095 -12.680 12.263 1.00 0.00 H new ATOM 0 HA VAL A 8 -32.063 -11.841 10.273 1.00 0.00 H new ATOM 0 HB VAL A 8 -30.875 -9.766 10.860 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -28.448 -9.563 10.504 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -28.833 -10.750 11.773 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -28.358 -11.304 10.150 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -30.011 -9.192 8.626 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -29.985 -10.919 8.197 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -31.534 -10.108 8.530 1.00 0.00 H new ATOM 82 N GLU A 9 -31.088 -13.620 8.853 1.00 0.00 N ATOM 83 CA GLU A 9 -30.547 -14.663 7.990 1.00 0.00 C ATOM 84 C GLU A 9 -29.301 -14.172 7.258 1.00 0.00 C ATOM 85 O GLU A 9 -29.217 -13.023 6.825 1.00 0.00 O ATOM 86 CB GLU A 9 -31.601 -15.115 6.977 1.00 0.00 C ATOM 87 CG GLU A 9 -32.081 -14.003 6.060 1.00 0.00 C ATOM 88 CD GLU A 9 -32.789 -14.528 4.826 1.00 0.00 C ATOM 89 OE1 GLU A 9 -33.756 -15.302 4.980 1.00 0.00 O ATOM 90 OE2 GLU A 9 -32.375 -14.163 3.705 1.00 0.00 O ATOM 0 H GLU A 9 -32.088 -13.456 8.741 1.00 0.00 H new ATOM 0 HA GLU A 9 -30.269 -15.510 8.617 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -31.188 -15.921 6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -32.456 -15.526 7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -32.757 -13.349 6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -31.229 -13.396 5.754 1.00 0.00 H new ATOM 97 N PRO A 10 -28.309 -15.063 7.118 1.00 0.00 N ATOM 98 CA PRO A 10 -27.049 -14.744 6.440 1.00 0.00 C ATOM 99 C PRO A 10 -27.229 -14.561 4.937 1.00 0.00 C ATOM 100 O PRO A 10 -27.740 -15.446 4.250 1.00 0.00 O ATOM 101 CB PRO A 10 -26.172 -15.965 6.728 1.00 0.00 C ATOM 102 CG PRO A 10 -27.135 -17.077 6.962 1.00 0.00 C ATOM 103 CD PRO A 10 -28.340 -16.451 7.609 1.00 0.00 C ATOM 0 HA PRO A 10 -26.624 -13.804 6.792 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -25.511 -16.184 5.890 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -25.538 -15.800 7.599 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -27.404 -17.564 6.025 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -26.700 -17.842 7.605 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -29.260 -16.959 7.320 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -28.280 -16.494 8.696 1.00 0.00 H new ATOM 111 N VAL A 11 -26.807 -13.407 4.430 1.00 0.00 N ATOM 112 CA VAL A 11 -26.920 -13.108 3.008 1.00 0.00 C ATOM 113 C VAL A 11 -25.618 -13.413 2.277 1.00 0.00 C ATOM 114 O VAL A 11 -24.535 -12.992 2.683 1.00 0.00 O ATOM 115 CB VAL A 11 -27.295 -11.633 2.772 1.00 0.00 C ATOM 116 CG1 VAL A 11 -27.361 -11.330 1.283 1.00 0.00 C ATOM 117 CG2 VAL A 11 -28.618 -11.305 3.450 1.00 0.00 C ATOM 0 H VAL A 11 -26.383 -12.663 4.984 1.00 0.00 H new ATOM 0 HA VAL A 11 -27.712 -13.744 2.613 1.00 0.00 H new ATOM 0 HB VAL A 11 -26.521 -11.005 3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -27.627 -10.283 1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -26.389 -11.524 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -28.114 -11.965 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -28.868 -10.259 3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -29.404 -11.940 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -28.531 -11.481 4.522 1.00 0.00 H new ATOM 127 N PRO A 12 -25.723 -14.163 1.170 1.00 0.00 N ATOM 128 CA PRO A 12 -24.563 -14.541 0.357 1.00 0.00 C ATOM 129 C PRO A 12 -23.965 -13.352 -0.388 1.00 0.00 C ATOM 130 O PRO A 12 -24.690 -12.525 -0.941 1.00 0.00 O ATOM 131 CB PRO A 12 -25.139 -15.556 -0.633 1.00 0.00 C ATOM 132 CG PRO A 12 -26.585 -15.211 -0.731 1.00 0.00 C ATOM 133 CD PRO A 12 -26.982 -14.700 0.626 1.00 0.00 C ATOM 0 HA PRO A 12 -23.749 -14.934 0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -24.648 -15.485 -1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -24.999 -16.577 -0.279 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -26.755 -14.455 -1.498 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -27.176 -16.084 -1.008 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -27.750 -13.930 0.556 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -27.384 -15.496 1.253 1.00 0.00 H new ATOM 141 N ASP A 13 -22.639 -13.272 -0.397 1.00 0.00 N ATOM 142 CA ASP A 13 -21.943 -12.185 -1.074 1.00 0.00 C ATOM 143 C ASP A 13 -21.521 -12.602 -2.480 1.00 0.00 C ATOM 144 O ASP A 13 -20.758 -13.553 -2.655 1.00 0.00 O ATOM 145 CB ASP A 13 -20.717 -11.753 -0.267 1.00 0.00 C ATOM 146 CG ASP A 13 -19.729 -12.885 -0.067 1.00 0.00 C ATOM 147 OD1 ASP A 13 -19.912 -13.670 0.887 1.00 0.00 O ATOM 148 OD2 ASP A 13 -18.771 -12.985 -0.862 1.00 0.00 O ATOM 0 H ASP A 13 -22.025 -13.948 0.057 1.00 0.00 H new ATOM 0 HA ASP A 13 -22.630 -11.342 -1.155 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -20.221 -10.928 -0.778 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -21.039 -11.379 0.705 1.00 0.00 H new ATOM 153 N THR A 14 -22.022 -11.885 -3.480 1.00 0.00 N ATOM 154 CA THR A 14 -21.699 -12.181 -4.870 1.00 0.00 C ATOM 155 C THR A 14 -20.233 -12.571 -5.023 1.00 0.00 C ATOM 156 O THR A 14 -19.365 -12.045 -4.327 1.00 0.00 O ATOM 157 CB THR A 14 -21.997 -10.979 -5.785 1.00 0.00 C ATOM 158 OG1 THR A 14 -21.369 -9.801 -5.267 1.00 0.00 O ATOM 159 CG2 THR A 14 -23.496 -10.748 -5.906 1.00 0.00 C ATOM 0 H THR A 14 -22.654 -11.094 -3.353 1.00 0.00 H new ATOM 0 HA THR A 14 -22.328 -13.019 -5.168 1.00 0.00 H new ATOM 0 HB THR A 14 -21.598 -11.198 -6.775 1.00 0.00 H new ATOM 0 HG1 THR A 14 -21.562 -9.042 -5.856 1.00 0.00 H new ATOM 0 HG21 THR A 14 -23.681 -9.894 -6.557 1.00 0.00 H new ATOM 0 HG22 THR A 14 -23.968 -11.635 -6.328 1.00 0.00 H new ATOM 0 HG23 THR A 14 -23.914 -10.549 -4.919 1.00 0.00 H new ATOM 167 N HIS A 15 -19.964 -13.496 -5.939 1.00 0.00 N ATOM 168 CA HIS A 15 -18.601 -13.955 -6.185 1.00 0.00 C ATOM 169 C HIS A 15 -17.853 -12.978 -7.086 1.00 0.00 C ATOM 170 O HIS A 15 -18.464 -12.169 -7.786 1.00 0.00 O ATOM 171 CB HIS A 15 -18.616 -15.345 -6.820 1.00 0.00 C ATOM 172 CG HIS A 15 -18.949 -16.441 -5.856 1.00 0.00 C ATOM 173 ND1 HIS A 15 -18.189 -17.585 -5.724 1.00 0.00 N ATOM 174 CD2 HIS A 15 -19.967 -16.564 -4.972 1.00 0.00 C ATOM 175 CE1 HIS A 15 -18.726 -18.363 -4.802 1.00 0.00 C ATOM 176 NE2 HIS A 15 -19.806 -17.767 -4.329 1.00 0.00 N ATOM 0 H HIS A 15 -20.671 -13.942 -6.523 1.00 0.00 H new ATOM 0 HA HIS A 15 -18.083 -14.007 -5.228 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.341 -15.356 -7.634 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -17.639 -15.544 -7.261 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -20.759 -15.849 -4.804 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -18.346 -19.324 -4.488 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.420 -18.139 -3.605 1.00 0.00 H new ATOM 184 N LEU A 16 -16.527 -13.058 -7.065 1.00 0.00 N ATOM 185 CA LEU A 16 -15.694 -12.180 -7.880 1.00 0.00 C ATOM 186 C LEU A 16 -15.885 -12.473 -9.365 1.00 0.00 C ATOM 187 O LEU A 16 -16.330 -13.558 -9.742 1.00 0.00 O ATOM 188 CB LEU A 16 -14.222 -12.345 -7.501 1.00 0.00 C ATOM 189 CG LEU A 16 -13.832 -11.870 -6.101 1.00 0.00 C ATOM 190 CD1 LEU A 16 -12.427 -12.335 -5.751 1.00 0.00 C ATOM 191 CD2 LEU A 16 -13.934 -10.355 -6.004 1.00 0.00 C ATOM 0 H LEU A 16 -16.005 -13.722 -6.493 1.00 0.00 H new ATOM 0 HA LEU A 16 -15.998 -11.151 -7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.960 -13.399 -7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.617 -11.803 -8.228 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.526 -12.308 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.167 -11.987 -4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.387 -13.424 -5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.719 -11.927 -6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.653 -10.035 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -13.264 -9.898 -6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.959 -10.045 -6.210 1.00 0.00 H new ATOM 203 N ARG A 17 -15.544 -11.501 -10.204 1.00 0.00 N ATOM 204 CA ARG A 17 -15.676 -11.655 -11.647 1.00 0.00 C ATOM 205 C ARG A 17 -14.326 -11.489 -12.338 1.00 0.00 C ATOM 206 O ARG A 17 -13.804 -10.380 -12.445 1.00 0.00 O ATOM 207 CB ARG A 17 -16.673 -10.635 -12.201 1.00 0.00 C ATOM 208 CG ARG A 17 -17.408 -11.114 -13.442 1.00 0.00 C ATOM 209 CD ARG A 17 -18.410 -10.079 -13.931 1.00 0.00 C ATOM 210 NE ARG A 17 -18.654 -10.189 -15.366 1.00 0.00 N ATOM 211 CZ ARG A 17 -17.859 -9.660 -16.289 1.00 0.00 C ATOM 212 NH1 ARG A 17 -16.773 -8.990 -15.929 1.00 0.00 N ATOM 213 NH2 ARG A 17 -18.148 -9.803 -17.576 1.00 0.00 N ATOM 0 H ARG A 17 -15.174 -10.598 -9.909 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.046 -12.661 -11.847 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.402 -10.395 -11.427 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.143 -9.712 -12.437 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.689 -11.327 -14.233 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -17.926 -12.048 -13.222 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -19.350 -10.202 -13.393 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.040 -9.080 -13.702 1.00 0.00 H new ATOM 0 HE ARG A 17 -19.480 -10.700 -15.677 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.546 -8.880 -14.941 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.164 -8.585 -16.640 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -18.981 -10.320 -17.857 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.537 -9.396 -18.284 1.00 0.00 H new ATOM 227 N GLY A 18 -13.765 -12.601 -12.805 1.00 0.00 N ATOM 228 CA GLY A 18 -12.481 -12.557 -13.479 1.00 0.00 C ATOM 229 C GLY A 18 -11.397 -11.934 -12.621 1.00 0.00 C ATOM 230 O GLY A 18 -11.654 -11.514 -11.492 1.00 0.00 O ATOM 0 H GLY A 18 -14.177 -13.531 -12.728 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.184 -13.569 -13.756 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.579 -11.989 -14.404 1.00 0.00 H new ATOM 234 N ILE A 19 -10.182 -11.874 -13.156 1.00 0.00 N ATOM 235 CA ILE A 19 -9.057 -11.298 -12.432 1.00 0.00 C ATOM 236 C ILE A 19 -9.174 -9.780 -12.350 1.00 0.00 C ATOM 237 O ILE A 19 -9.099 -9.084 -13.363 1.00 0.00 O ATOM 238 CB ILE A 19 -7.715 -11.662 -13.095 1.00 0.00 C ATOM 239 CG1 ILE A 19 -7.548 -13.182 -13.157 1.00 0.00 C ATOM 240 CG2 ILE A 19 -6.559 -11.028 -12.335 1.00 0.00 C ATOM 241 CD1 ILE A 19 -6.644 -13.645 -14.278 1.00 0.00 C ATOM 0 H ILE A 19 -9.952 -12.217 -14.089 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.082 -11.717 -11.426 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.712 -11.272 -14.113 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.145 -13.534 -12.207 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.528 -13.643 -13.278 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.618 -11.295 -12.816 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.673 -9.944 -12.337 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.557 -11.391 -11.307 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.572 -14.732 -14.261 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.056 -13.323 -15.234 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.652 -13.213 -14.147 1.00 0.00 H new ATOM 253 N THR A 20 -9.358 -9.270 -11.136 1.00 0.00 N ATOM 254 CA THR A 20 -9.486 -7.835 -10.921 1.00 0.00 C ATOM 255 C THR A 20 -8.565 -7.362 -9.801 1.00 0.00 C ATOM 256 O THR A 20 -7.899 -8.168 -9.150 1.00 0.00 O ATOM 257 CB THR A 20 -10.936 -7.445 -10.576 1.00 0.00 C ATOM 258 OG1 THR A 20 -11.451 -8.319 -9.565 1.00 0.00 O ATOM 259 CG2 THR A 20 -11.822 -7.511 -11.810 1.00 0.00 C ATOM 0 H THR A 20 -9.422 -9.831 -10.286 1.00 0.00 H new ATOM 0 HA THR A 20 -9.199 -7.350 -11.854 1.00 0.00 H new ATOM 0 HB THR A 20 -10.935 -6.421 -10.204 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.372 -8.063 -9.350 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.841 -7.232 -11.542 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.444 -6.823 -12.566 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.817 -8.526 -12.208 1.00 0.00 H new ATOM 267 N CYS A 21 -8.532 -6.052 -9.582 1.00 0.00 N ATOM 268 CA CYS A 21 -7.692 -5.472 -8.541 1.00 0.00 C ATOM 269 C CYS A 21 -8.301 -5.702 -7.160 1.00 0.00 C ATOM 270 O CYS A 21 -9.522 -5.729 -7.005 1.00 0.00 O ATOM 271 CB CYS A 21 -7.505 -3.973 -8.784 1.00 0.00 C ATOM 272 SG CYS A 21 -6.893 -3.055 -7.334 1.00 0.00 S ATOM 0 H CYS A 21 -9.077 -5.372 -10.112 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.720 -5.964 -8.577 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.807 -3.834 -9.610 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.458 -3.545 -9.096 1.00 0.00 H new ATOM 277 N LEU A 22 -7.441 -5.867 -6.161 1.00 0.00 N ATOM 278 CA LEU A 22 -7.893 -6.094 -4.793 1.00 0.00 C ATOM 279 C LEU A 22 -8.817 -4.972 -4.331 1.00 0.00 C ATOM 280 O LEU A 22 -10.015 -5.180 -4.140 1.00 0.00 O ATOM 281 CB LEU A 22 -6.693 -6.203 -3.850 1.00 0.00 C ATOM 282 CG LEU A 22 -5.697 -7.321 -4.158 1.00 0.00 C ATOM 283 CD1 LEU A 22 -4.426 -7.144 -3.341 1.00 0.00 C ATOM 284 CD2 LEU A 22 -6.322 -8.682 -3.886 1.00 0.00 C ATOM 0 H LEU A 22 -6.427 -5.848 -6.273 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.451 -7.030 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.158 -5.253 -3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.065 -6.345 -2.835 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.436 -7.268 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.729 -7.949 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.968 -6.185 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.670 -7.170 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.599 -9.466 -4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.612 -8.746 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.203 -8.810 -4.515 1.00 0.00 H new ATOM 296 N ASP A 23 -8.252 -3.782 -4.155 1.00 0.00 N ATOM 297 CA ASP A 23 -9.025 -2.625 -3.719 1.00 0.00 C ATOM 298 C ASP A 23 -10.227 -2.400 -4.632 1.00 0.00 C ATOM 299 O ASP A 23 -11.352 -2.227 -4.163 1.00 0.00 O ATOM 300 CB ASP A 23 -8.145 -1.375 -3.696 1.00 0.00 C ATOM 301 CG ASP A 23 -7.324 -1.268 -2.426 1.00 0.00 C ATOM 302 OD1 ASP A 23 -7.913 -0.985 -1.361 1.00 0.00 O ATOM 303 OD2 ASP A 23 -6.094 -1.469 -2.496 1.00 0.00 O ATOM 0 H ASP A 23 -7.261 -3.594 -4.308 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.389 -2.821 -2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.477 -1.389 -4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.774 -0.490 -3.794 1.00 0.00 H new ATOM 308 N HIS A 24 -9.980 -2.401 -5.938 1.00 0.00 N ATOM 309 CA HIS A 24 -11.042 -2.196 -6.917 1.00 0.00 C ATOM 310 C HIS A 24 -11.306 -3.473 -7.708 1.00 0.00 C ATOM 311 O HIS A 24 -10.583 -3.789 -8.653 1.00 0.00 O ATOM 312 CB HIS A 24 -10.672 -1.059 -7.870 1.00 0.00 C ATOM 313 CG HIS A 24 -9.980 0.086 -7.197 1.00 0.00 C ATOM 314 ND1 HIS A 24 -8.611 0.249 -7.209 1.00 0.00 N ATOM 315 CD2 HIS A 24 -10.476 1.129 -6.490 1.00 0.00 C ATOM 316 CE1 HIS A 24 -8.294 1.342 -6.537 1.00 0.00 C ATOM 317 NE2 HIS A 24 -9.408 1.895 -6.091 1.00 0.00 N ATOM 0 H HIS A 24 -9.054 -2.541 -6.343 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.952 -1.929 -6.379 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.027 -1.451 -8.657 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.577 -0.692 -8.353 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.517 1.323 -6.279 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.294 1.719 -6.379 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -9.466 2.751 -5.540 1.00 0.00 H new ATOM 325 N GLU A 25 -12.344 -4.203 -7.314 1.00 0.00 N ATOM 326 CA GLU A 25 -12.701 -5.447 -7.987 1.00 0.00 C ATOM 327 C GLU A 25 -13.485 -5.169 -9.266 1.00 0.00 C ATOM 328 O GLU A 25 -14.438 -5.876 -9.589 1.00 0.00 O ATOM 329 CB GLU A 25 -13.525 -6.338 -7.055 1.00 0.00 C ATOM 330 CG GLU A 25 -14.920 -5.804 -6.777 1.00 0.00 C ATOM 331 CD GLU A 25 -15.931 -6.908 -6.535 1.00 0.00 C ATOM 332 OE1 GLU A 25 -15.832 -7.960 -7.201 1.00 0.00 O ATOM 333 OE2 GLU A 25 -16.820 -6.720 -5.679 1.00 0.00 O ATOM 0 H GLU A 25 -12.952 -3.955 -6.533 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.779 -5.964 -8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.607 -7.332 -7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.993 -6.451 -6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.887 -5.149 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.247 -5.196 -7.621 1.00 0.00 H new ATOM 340 N ASN A 26 -13.075 -4.132 -9.990 1.00 0.00 N ATOM 341 CA ASN A 26 -13.739 -3.758 -11.234 1.00 0.00 C ATOM 342 C ASN A 26 -12.718 -3.467 -12.329 1.00 0.00 C ATOM 343 O ASN A 26 -12.888 -3.883 -13.475 1.00 0.00 O ATOM 344 CB ASN A 26 -14.630 -2.534 -11.013 1.00 0.00 C ATOM 345 CG ASN A 26 -15.587 -2.717 -9.851 1.00 0.00 C ATOM 346 OD1 ASN A 26 -15.567 -1.949 -8.889 1.00 0.00 O ATOM 347 ND2 ASN A 26 -16.432 -3.738 -9.936 1.00 0.00 N ATOM 0 H ASN A 26 -12.287 -3.536 -9.737 1.00 0.00 H new ATOM 0 HA ASN A 26 -14.358 -4.597 -11.553 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -14.004 -1.661 -10.830 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.199 -2.334 -11.921 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -17.100 -3.911 -9.185 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -16.413 -4.349 -10.752 1.00 0.00 H new ATOM 354 N GLU A 27 -11.658 -2.752 -11.968 1.00 0.00 N ATOM 355 CA GLU A 27 -10.609 -2.406 -12.920 1.00 0.00 C ATOM 356 C GLU A 27 -9.581 -3.528 -13.029 1.00 0.00 C ATOM 357 O GLU A 27 -9.185 -4.122 -12.026 1.00 0.00 O ATOM 358 CB GLU A 27 -9.920 -1.105 -12.504 1.00 0.00 C ATOM 359 CG GLU A 27 -10.775 0.133 -12.716 1.00 0.00 C ATOM 360 CD GLU A 27 -10.798 0.584 -14.164 1.00 0.00 C ATOM 361 OE1 GLU A 27 -11.457 -0.088 -14.984 1.00 0.00 O ATOM 362 OE2 GLU A 27 -10.157 1.609 -14.476 1.00 0.00 O ATOM 0 H GLU A 27 -11.503 -2.401 -11.023 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.072 -2.266 -13.897 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.645 -1.170 -11.451 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.994 -0.998 -13.069 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.794 -0.073 -12.387 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.396 0.943 -12.093 1.00 0.00 H new ATOM 369 N LYS A 28 -9.152 -3.813 -14.254 1.00 0.00 N ATOM 370 CA LYS A 28 -8.169 -4.862 -14.496 1.00 0.00 C ATOM 371 C LYS A 28 -6.750 -4.332 -14.312 1.00 0.00 C ATOM 372 O LYS A 28 -6.325 -3.413 -15.011 1.00 0.00 O ATOM 373 CB LYS A 28 -8.334 -5.428 -15.908 1.00 0.00 C ATOM 374 CG LYS A 28 -9.732 -5.947 -16.196 1.00 0.00 C ATOM 375 CD LYS A 28 -9.866 -7.417 -15.835 1.00 0.00 C ATOM 376 CE LYS A 28 -11.214 -7.976 -16.264 1.00 0.00 C ATOM 377 NZ LYS A 28 -11.478 -9.311 -15.661 1.00 0.00 N ATOM 0 H LYS A 28 -9.470 -3.332 -15.095 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.338 -5.657 -13.770 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.087 -4.652 -16.633 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.618 -6.237 -16.052 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.461 -5.365 -15.632 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.962 -5.808 -17.252 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.067 -7.984 -16.313 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.745 -7.541 -14.759 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.004 -7.283 -15.973 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.245 -8.056 -17.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.321 -10.051 -16.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.835 -9.462 -14.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.463 -9.353 -15.329 1.00 0.00 H new ATOM 391 N VAL A 29 -6.023 -4.918 -13.367 1.00 0.00 N ATOM 392 CA VAL A 29 -4.651 -4.507 -13.092 1.00 0.00 C ATOM 393 C VAL A 29 -3.825 -4.459 -14.373 1.00 0.00 C ATOM 394 O VAL A 29 -3.375 -5.490 -14.872 1.00 0.00 O ATOM 395 CB VAL A 29 -3.970 -5.457 -12.090 1.00 0.00 C ATOM 396 CG1 VAL A 29 -4.398 -5.130 -10.668 1.00 0.00 C ATOM 397 CG2 VAL A 29 -4.285 -6.906 -12.431 1.00 0.00 C ATOM 0 H VAL A 29 -6.361 -5.679 -12.778 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.701 -3.509 -12.657 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.891 -5.318 -12.160 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.906 -5.812 -9.974 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.116 -4.104 -10.430 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.479 -5.239 -10.579 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.796 -7.564 -11.713 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.363 -7.063 -12.391 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.923 -7.131 -13.434 1.00 0.00 H new ATOM 407 N ASN A 30 -3.629 -3.255 -14.900 1.00 0.00 N ATOM 408 CA ASN A 30 -2.857 -3.072 -16.123 1.00 0.00 C ATOM 409 C ASN A 30 -1.549 -2.340 -15.837 1.00 0.00 C ATOM 410 O ASN A 30 -0.996 -1.673 -16.711 1.00 0.00 O ATOM 411 CB ASN A 30 -3.675 -2.294 -17.156 1.00 0.00 C ATOM 412 CG ASN A 30 -4.330 -1.060 -16.564 1.00 0.00 C ATOM 413 OD1 ASN A 30 -4.794 -1.077 -15.424 1.00 0.00 O ATOM 414 ND2 ASN A 30 -4.370 0.017 -17.339 1.00 0.00 N ATOM 0 H ASN A 30 -3.994 -2.391 -14.499 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.621 -4.057 -16.524 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.027 -1.998 -17.981 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.443 -2.945 -17.573 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.798 0.877 -16.996 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.972 -0.015 -18.278 1.00 0.00 H new ATOM 421 N MET A 31 -1.062 -2.470 -14.608 1.00 0.00 N ATOM 422 CA MET A 31 0.182 -1.822 -14.207 1.00 0.00 C ATOM 423 C MET A 31 0.899 -2.638 -13.135 1.00 0.00 C ATOM 424 O MET A 31 0.351 -3.607 -12.609 1.00 0.00 O ATOM 425 CB MET A 31 -0.098 -0.411 -13.688 1.00 0.00 C ATOM 426 CG MET A 31 -0.078 0.651 -14.775 1.00 0.00 C ATOM 427 SD MET A 31 -1.686 0.872 -15.560 1.00 0.00 S ATOM 428 CE MET A 31 -2.452 2.040 -14.439 1.00 0.00 C ATOM 0 H MET A 31 -1.509 -3.018 -13.873 1.00 0.00 H new ATOM 0 HA MET A 31 0.828 -1.758 -15.082 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.072 -0.399 -13.198 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.643 -0.158 -12.930 1.00 0.00 H new ATOM 0 HG2 MET A 31 0.246 1.599 -14.345 1.00 0.00 H new ATOM 0 HG3 MET A 31 0.657 0.377 -15.532 1.00 0.00 H new ATOM 0 HE1 MET A 31 -3.287 2.530 -14.939 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.816 1.513 -13.557 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.720 2.789 -14.137 1.00 0.00 H new ATOM 438 N TYR A 32 2.125 -2.239 -12.816 1.00 0.00 N ATOM 439 CA TYR A 32 2.917 -2.935 -11.809 1.00 0.00 C ATOM 440 C TYR A 32 3.703 -1.945 -10.955 1.00 0.00 C ATOM 441 O TYR A 32 4.656 -1.321 -11.422 1.00 0.00 O ATOM 442 CB TYR A 32 3.876 -3.922 -12.477 1.00 0.00 C ATOM 443 CG TYR A 32 5.120 -4.202 -11.664 1.00 0.00 C ATOM 444 CD1 TYR A 32 5.031 -4.733 -10.383 1.00 0.00 C ATOM 445 CD2 TYR A 32 6.384 -3.935 -12.176 1.00 0.00 C ATOM 446 CE1 TYR A 32 6.165 -4.990 -9.636 1.00 0.00 C ATOM 447 CE2 TYR A 32 7.522 -4.190 -11.437 1.00 0.00 C ATOM 448 CZ TYR A 32 7.408 -4.717 -10.168 1.00 0.00 C ATOM 449 OH TYR A 32 8.540 -4.971 -9.428 1.00 0.00 O ATOM 0 H TYR A 32 2.592 -1.437 -13.240 1.00 0.00 H new ATOM 0 HA TYR A 32 2.234 -3.484 -11.161 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.351 -4.860 -12.657 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.169 -3.529 -13.450 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.059 -4.949 -9.964 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.478 -3.521 -13.169 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.078 -5.402 -8.642 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.497 -3.978 -11.851 1.00 0.00 H new ATOM 0 HH TYR A 32 8.419 -5.800 -8.919 1.00 0.00 H new ATOM 459 N CYS A 33 3.295 -1.806 -9.697 1.00 0.00 N ATOM 460 CA CYS A 33 3.959 -0.893 -8.775 1.00 0.00 C ATOM 461 C CYS A 33 5.295 -1.464 -8.310 1.00 0.00 C ATOM 462 O CYS A 33 5.340 -2.464 -7.593 1.00 0.00 O ATOM 463 CB CYS A 33 3.062 -0.615 -7.566 1.00 0.00 C ATOM 464 SG CYS A 33 3.693 0.684 -6.455 1.00 0.00 S ATOM 0 H CYS A 33 2.508 -2.314 -9.294 1.00 0.00 H new ATOM 0 HA CYS A 33 4.148 0.042 -9.302 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.072 -0.326 -7.920 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.941 -1.537 -6.997 1.00 0.00 H new ATOM 469 N VAL A 34 6.383 -0.822 -8.724 1.00 0.00 N ATOM 470 CA VAL A 34 7.721 -1.265 -8.351 1.00 0.00 C ATOM 471 C VAL A 34 8.000 -0.988 -6.877 1.00 0.00 C ATOM 472 O VAL A 34 8.626 -1.796 -6.191 1.00 0.00 O ATOM 473 CB VAL A 34 8.800 -0.574 -9.205 1.00 0.00 C ATOM 474 CG1 VAL A 34 10.189 -1.011 -8.766 1.00 0.00 C ATOM 475 CG2 VAL A 34 8.580 -0.868 -10.681 1.00 0.00 C ATOM 0 H VAL A 34 6.364 0.007 -9.318 1.00 0.00 H new ATOM 0 HA VAL A 34 7.760 -2.339 -8.530 1.00 0.00 H new ATOM 0 HB VAL A 34 8.721 0.503 -9.058 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.938 -0.513 -9.381 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.341 -0.744 -7.720 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.284 -2.091 -8.882 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.352 -0.372 -11.270 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.631 -1.944 -10.849 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.600 -0.499 -10.983 1.00 0.00 H new ATOM 485 N SER A 35 7.530 0.159 -6.397 1.00 0.00 N ATOM 486 CA SER A 35 7.731 0.544 -5.005 1.00 0.00 C ATOM 487 C SER A 35 7.366 -0.601 -4.066 1.00 0.00 C ATOM 488 O SER A 35 8.193 -1.061 -3.278 1.00 0.00 O ATOM 489 CB SER A 35 6.894 1.780 -4.670 1.00 0.00 C ATOM 490 OG SER A 35 7.332 2.380 -3.463 1.00 0.00 O ATOM 0 H SER A 35 7.008 0.838 -6.951 1.00 0.00 H new ATOM 0 HA SER A 35 8.786 0.780 -4.868 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.963 2.501 -5.484 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.845 1.499 -4.580 1.00 0.00 H new ATOM 0 HG SER A 35 6.783 3.169 -3.272 1.00 0.00 H new ATOM 496 N ASP A 36 6.122 -1.057 -4.156 1.00 0.00 N ATOM 497 CA ASP A 36 5.645 -2.150 -3.315 1.00 0.00 C ATOM 498 C ASP A 36 5.666 -3.471 -4.078 1.00 0.00 C ATOM 499 O ASP A 36 4.978 -4.423 -3.709 1.00 0.00 O ATOM 500 CB ASP A 36 4.230 -1.857 -2.815 1.00 0.00 C ATOM 501 CG ASP A 36 3.352 -1.244 -3.888 1.00 0.00 C ATOM 502 OD1 ASP A 36 2.960 -1.974 -4.822 1.00 0.00 O ATOM 503 OD2 ASP A 36 3.058 -0.033 -3.794 1.00 0.00 O ATOM 0 H ASP A 36 5.425 -0.687 -4.803 1.00 0.00 H new ATOM 0 HA ASP A 36 6.313 -2.235 -2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.774 -2.782 -2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.282 -1.180 -1.962 1.00 0.00 H new ATOM 508 N ASP A 37 6.458 -3.521 -5.143 1.00 0.00 N ATOM 509 CA ASP A 37 6.568 -4.725 -5.959 1.00 0.00 C ATOM 510 C ASP A 37 5.228 -5.449 -6.043 1.00 0.00 C ATOM 511 O ASP A 37 5.158 -6.666 -5.875 1.00 0.00 O ATOM 512 CB ASP A 37 7.632 -5.661 -5.383 1.00 0.00 C ATOM 513 CG ASP A 37 8.186 -6.616 -6.422 1.00 0.00 C ATOM 514 OD1 ASP A 37 7.533 -7.647 -6.687 1.00 0.00 O ATOM 515 OD2 ASP A 37 9.273 -6.334 -6.968 1.00 0.00 O ATOM 0 H ASP A 37 7.034 -2.742 -5.462 1.00 0.00 H new ATOM 0 HA ASP A 37 6.863 -4.427 -6.965 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.447 -5.068 -4.967 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.202 -6.233 -4.561 1.00 0.00 H new ATOM 520 N GLN A 38 4.167 -4.691 -6.302 1.00 0.00 N ATOM 521 CA GLN A 38 2.829 -5.261 -6.406 1.00 0.00 C ATOM 522 C GLN A 38 2.098 -4.716 -7.629 1.00 0.00 C ATOM 523 O GLN A 38 2.394 -3.618 -8.103 1.00 0.00 O ATOM 524 CB GLN A 38 2.024 -4.960 -5.140 1.00 0.00 C ATOM 525 CG GLN A 38 0.892 -5.944 -4.891 1.00 0.00 C ATOM 526 CD GLN A 38 -0.072 -5.467 -3.823 1.00 0.00 C ATOM 527 OE1 GLN A 38 -1.205 -5.085 -4.119 1.00 0.00 O ATOM 528 NE2 GLN A 38 0.373 -5.486 -2.572 1.00 0.00 N ATOM 0 H GLN A 38 4.208 -3.682 -6.444 1.00 0.00 H new ATOM 0 HA GLN A 38 2.929 -6.341 -6.517 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.696 -4.967 -4.282 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.611 -3.954 -5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.347 -6.107 -5.821 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.310 -6.906 -4.594 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.319 -5.810 -2.372 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.231 -5.176 -1.811 1.00 0.00 H new ATOM 537 N LEU A 39 1.144 -5.489 -8.134 1.00 0.00 N ATOM 538 CA LEU A 39 0.371 -5.083 -9.303 1.00 0.00 C ATOM 539 C LEU A 39 -0.823 -4.225 -8.896 1.00 0.00 C ATOM 540 O LEU A 39 -1.450 -4.466 -7.864 1.00 0.00 O ATOM 541 CB LEU A 39 -0.111 -6.315 -10.072 1.00 0.00 C ATOM 542 CG LEU A 39 0.975 -7.293 -10.522 1.00 0.00 C ATOM 543 CD1 LEU A 39 0.364 -8.634 -10.895 1.00 0.00 C ATOM 544 CD2 LEU A 39 1.759 -6.718 -11.692 1.00 0.00 C ATOM 0 H LEU A 39 0.887 -6.400 -7.753 1.00 0.00 H new ATOM 0 HA LEU A 39 1.019 -4.489 -9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.821 -6.855 -9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.656 -5.978 -10.954 1.00 0.00 H new ATOM 0 HG LEU A 39 1.663 -7.449 -9.691 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.152 -9.317 -11.213 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.152 -9.052 -10.030 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.347 -8.496 -11.710 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.527 -7.428 -11.999 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.083 -6.532 -12.527 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.229 -5.782 -11.390 1.00 0.00 H new ATOM 556 N ILE A 40 -1.132 -3.224 -9.714 1.00 0.00 N ATOM 557 CA ILE A 40 -2.252 -2.333 -9.440 1.00 0.00 C ATOM 558 C ILE A 40 -3.019 -2.006 -10.717 1.00 0.00 C ATOM 559 O ILE A 40 -2.631 -2.419 -11.810 1.00 0.00 O ATOM 560 CB ILE A 40 -1.780 -1.020 -8.788 1.00 0.00 C ATOM 561 CG1 ILE A 40 -0.887 -0.237 -9.753 1.00 0.00 C ATOM 562 CG2 ILE A 40 -1.040 -1.309 -7.490 1.00 0.00 C ATOM 563 CD1 ILE A 40 -0.926 1.259 -9.534 1.00 0.00 C ATOM 0 H ILE A 40 -0.622 -3.010 -10.571 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.910 -2.857 -8.747 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.655 -0.412 -8.558 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.141 -0.585 -9.647 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.194 -0.454 -10.776 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.713 -0.371 -7.041 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.705 -1.829 -6.800 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.172 -1.934 -7.698 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.270 1.749 -10.253 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.946 1.620 -9.669 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.591 1.487 -8.522 1.00 0.00 H new ATOM 575 N CYS A 41 -4.109 -1.260 -10.571 1.00 0.00 N ATOM 576 CA CYS A 41 -4.931 -0.876 -11.712 1.00 0.00 C ATOM 577 C CYS A 41 -4.832 0.625 -11.973 1.00 0.00 C ATOM 578 O CYS A 41 -4.037 1.323 -11.344 1.00 0.00 O ATOM 579 CB CYS A 41 -6.390 -1.267 -11.470 1.00 0.00 C ATOM 580 SG CYS A 41 -7.213 -0.301 -10.163 1.00 0.00 S ATOM 0 H CYS A 41 -4.443 -0.909 -9.673 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.560 -1.405 -12.590 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.946 -1.147 -12.400 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.433 -2.324 -11.207 1.00 0.00 H new ATOM 585 N ALA A 42 -5.644 1.113 -12.904 1.00 0.00 N ATOM 586 CA ALA A 42 -5.650 2.530 -13.247 1.00 0.00 C ATOM 587 C ALA A 42 -6.066 3.382 -12.052 1.00 0.00 C ATOM 588 O ALA A 42 -5.377 4.335 -11.687 1.00 0.00 O ATOM 589 CB ALA A 42 -6.576 2.783 -14.427 1.00 0.00 C ATOM 0 H ALA A 42 -6.307 0.548 -13.435 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.636 2.816 -13.528 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.571 3.845 -14.672 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.233 2.210 -15.288 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.589 2.476 -14.167 1.00 0.00 H new ATOM 595 N LEU A 43 -7.196 3.033 -11.447 1.00 0.00 N ATOM 596 CA LEU A 43 -7.704 3.766 -10.294 1.00 0.00 C ATOM 597 C LEU A 43 -6.669 3.805 -9.174 1.00 0.00 C ATOM 598 O LEU A 43 -6.457 4.842 -8.545 1.00 0.00 O ATOM 599 CB LEU A 43 -8.997 3.126 -9.786 1.00 0.00 C ATOM 600 CG LEU A 43 -10.260 3.437 -10.590 1.00 0.00 C ATOM 601 CD1 LEU A 43 -11.368 2.453 -10.246 1.00 0.00 C ATOM 602 CD2 LEU A 43 -10.716 4.866 -10.334 1.00 0.00 C ATOM 0 H LEU A 43 -7.778 2.247 -11.736 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.911 4.789 -10.608 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.860 2.045 -9.766 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.158 3.446 -8.757 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.027 3.335 -11.650 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.259 2.690 -10.828 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.041 1.440 -10.480 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.600 2.523 -9.183 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.616 5.070 -10.914 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.931 4.995 -9.273 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.928 5.558 -10.631 1.00 0.00 H new ATOM 614 N CYS A 44 -6.025 2.668 -8.931 1.00 0.00 N ATOM 615 CA CYS A 44 -5.010 2.571 -7.888 1.00 0.00 C ATOM 616 C CYS A 44 -4.010 3.718 -7.995 1.00 0.00 C ATOM 617 O CYS A 44 -3.655 4.342 -6.995 1.00 0.00 O ATOM 618 CB CYS A 44 -4.278 1.231 -7.983 1.00 0.00 C ATOM 619 SG CYS A 44 -4.989 -0.080 -6.937 1.00 0.00 S ATOM 0 H CYS A 44 -6.188 1.801 -9.442 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.510 2.637 -6.922 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.286 0.898 -9.021 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.235 1.378 -7.704 1.00 0.00 H new ATOM 624 N LYS A 45 -3.558 3.991 -9.214 1.00 0.00 N ATOM 625 CA LYS A 45 -2.600 5.063 -9.454 1.00 0.00 C ATOM 626 C LYS A 45 -3.306 6.412 -9.553 1.00 0.00 C ATOM 627 O LYS A 45 -2.801 7.425 -9.067 1.00 0.00 O ATOM 628 CB LYS A 45 -1.812 4.793 -10.738 1.00 0.00 C ATOM 629 CG LYS A 45 -0.377 5.290 -10.686 1.00 0.00 C ATOM 630 CD LYS A 45 -0.297 6.788 -10.926 1.00 0.00 C ATOM 631 CE LYS A 45 1.003 7.174 -11.614 1.00 0.00 C ATOM 632 NZ LYS A 45 0.947 6.928 -13.082 1.00 0.00 N ATOM 0 H LYS A 45 -3.840 3.483 -10.052 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.910 5.095 -8.611 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.810 3.721 -10.934 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.323 5.269 -11.575 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.056 5.053 -9.714 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.217 4.768 -11.436 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.142 7.105 -11.538 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.377 7.315 -9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.213 8.228 -11.430 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.826 6.605 -11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.903 7.007 -13.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.575 5.973 -13.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.324 7.631 -13.528 1.00 0.00 H new ATOM 646 N LEU A 46 -4.475 6.417 -10.182 1.00 0.00 N ATOM 647 CA LEU A 46 -5.252 7.642 -10.343 1.00 0.00 C ATOM 648 C LEU A 46 -5.639 8.223 -8.987 1.00 0.00 C ATOM 649 O LEU A 46 -5.050 9.202 -8.529 1.00 0.00 O ATOM 650 CB LEU A 46 -6.509 7.367 -11.171 1.00 0.00 C ATOM 651 CG LEU A 46 -6.371 7.552 -12.682 1.00 0.00 C ATOM 652 CD1 LEU A 46 -5.320 6.606 -13.242 1.00 0.00 C ATOM 653 CD2 LEU A 46 -7.710 7.332 -13.371 1.00 0.00 C ATOM 0 H LEU A 46 -4.907 5.587 -10.589 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.632 8.370 -10.866 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.830 6.343 -10.978 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.304 8.023 -10.816 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.049 8.575 -12.875 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.236 6.752 -14.319 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.358 6.811 -12.772 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.612 5.576 -13.037 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.593 7.468 -14.446 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.061 6.320 -13.169 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.437 8.050 -12.992 1.00 0.00 H new ATOM 665 N VAL A 47 -6.632 7.612 -8.349 1.00 0.00 N ATOM 666 CA VAL A 47 -7.096 8.067 -7.044 1.00 0.00 C ATOM 667 C VAL A 47 -7.044 6.939 -6.019 1.00 0.00 C ATOM 668 O VAL A 47 -7.959 6.776 -5.212 1.00 0.00 O ATOM 669 CB VAL A 47 -8.534 8.612 -7.118 1.00 0.00 C ATOM 670 CG1 VAL A 47 -8.622 9.752 -8.121 1.00 0.00 C ATOM 671 CG2 VAL A 47 -9.508 7.500 -7.476 1.00 0.00 C ATOM 0 H VAL A 47 -7.131 6.801 -8.715 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.427 8.869 -6.732 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.807 9.001 -6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.646 10.124 -8.160 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.954 10.558 -7.816 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.329 9.392 -9.107 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.519 7.904 -7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.239 7.079 -8.445 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.464 6.720 -6.716 1.00 0.00 H new ATOM 681 N GLY A 48 -5.966 6.162 -6.056 1.00 0.00 N ATOM 682 CA GLY A 48 -5.815 5.059 -5.125 1.00 0.00 C ATOM 683 C GLY A 48 -4.697 5.291 -4.128 1.00 0.00 C ATOM 684 O GLY A 48 -4.310 6.432 -3.874 1.00 0.00 O ATOM 0 H GLY A 48 -5.195 6.277 -6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.752 4.910 -4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.617 4.143 -5.681 1.00 0.00 H new ATOM 688 N ARG A 49 -4.178 4.208 -3.560 1.00 0.00 N ATOM 689 CA ARG A 49 -3.100 4.299 -2.583 1.00 0.00 C ATOM 690 C ARG A 49 -1.738 4.211 -3.265 1.00 0.00 C ATOM 691 O ARG A 49 -0.743 3.837 -2.644 1.00 0.00 O ATOM 692 CB ARG A 49 -3.232 3.188 -1.540 1.00 0.00 C ATOM 693 CG ARG A 49 -4.484 3.300 -0.685 1.00 0.00 C ATOM 694 CD ARG A 49 -4.521 2.229 0.393 1.00 0.00 C ATOM 695 NE ARG A 49 -5.666 2.389 1.285 1.00 0.00 N ATOM 696 CZ ARG A 49 -6.896 1.990 0.981 1.00 0.00 C ATOM 697 NH1 ARG A 49 -7.139 1.411 -0.186 1.00 0.00 N ATOM 698 NH2 ARG A 49 -7.886 2.171 1.846 1.00 0.00 N ATOM 0 H ARG A 49 -4.487 3.257 -3.760 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.176 5.266 -2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.234 2.223 -2.048 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.356 3.205 -0.891 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.522 4.286 -0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.367 3.211 -1.318 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.561 1.245 -0.075 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.600 2.268 0.975 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.513 2.831 2.191 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.381 1.271 -0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.084 1.106 -0.417 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.703 2.617 2.745 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.830 1.864 1.612 1.00 0.00 H new ATOM 712 N HIS A 50 -1.701 4.558 -4.548 1.00 0.00 N ATOM 713 CA HIS A 50 -0.461 4.518 -5.316 1.00 0.00 C ATOM 714 C HIS A 50 -0.225 5.843 -6.034 1.00 0.00 C ATOM 715 O HIS A 50 0.229 5.867 -7.179 1.00 0.00 O ATOM 716 CB HIS A 50 -0.501 3.374 -6.329 1.00 0.00 C ATOM 717 CG HIS A 50 -0.576 2.018 -5.699 1.00 0.00 C ATOM 718 ND1 HIS A 50 0.533 1.227 -5.481 1.00 0.00 N ATOM 719 CD2 HIS A 50 -1.635 1.313 -5.238 1.00 0.00 C ATOM 720 CE1 HIS A 50 0.158 0.094 -4.914 1.00 0.00 C ATOM 721 NE2 HIS A 50 -1.153 0.121 -4.756 1.00 0.00 N ATOM 0 H HIS A 50 -2.515 4.870 -5.078 1.00 0.00 H new ATOM 0 HA HIS A 50 0.363 4.349 -4.623 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.362 3.509 -6.984 1.00 0.00 H new ATOM 0 HB3 HIS A 50 0.388 3.425 -6.957 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.668 1.629 -5.247 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.812 -0.716 -4.628 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -1.716 -0.623 -4.343 1.00 0.00 H new ATOM 729 N ARG A 51 -0.536 6.943 -5.356 1.00 0.00 N ATOM 730 CA ARG A 51 -0.359 8.271 -5.931 1.00 0.00 C ATOM 731 C ARG A 51 1.122 8.611 -6.067 1.00 0.00 C ATOM 732 O ARG A 51 1.924 8.301 -5.186 1.00 0.00 O ATOM 733 CB ARG A 51 -1.058 9.321 -5.066 1.00 0.00 C ATOM 734 CG ARG A 51 -1.397 10.600 -5.815 1.00 0.00 C ATOM 735 CD ARG A 51 -2.757 10.506 -6.489 1.00 0.00 C ATOM 736 NE ARG A 51 -3.068 11.705 -7.263 1.00 0.00 N ATOM 737 CZ ARG A 51 -2.615 11.925 -8.492 1.00 0.00 C ATOM 738 NH1 ARG A 51 -1.835 11.031 -9.084 1.00 0.00 N ATOM 739 NH2 ARG A 51 -2.942 13.040 -9.131 1.00 0.00 N ATOM 0 H ARG A 51 -0.912 6.941 -4.408 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.807 8.273 -6.925 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.975 8.893 -4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.418 9.565 -4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.390 11.441 -5.122 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.631 10.798 -6.565 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.777 9.636 -7.145 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.527 10.353 -5.733 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.666 12.412 -6.836 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.582 10.172 -8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.488 11.202 -10.028 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.542 13.730 -8.679 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.593 13.208 -10.075 1.00 0.00 H new ATOM 753 N ASP A 52 1.477 9.251 -7.176 1.00 0.00 N ATOM 754 CA ASP A 52 2.862 9.634 -7.427 1.00 0.00 C ATOM 755 C ASP A 52 3.805 8.464 -7.167 1.00 0.00 C ATOM 756 O ASP A 52 4.877 8.635 -6.586 1.00 0.00 O ATOM 757 CB ASP A 52 3.251 10.824 -6.550 1.00 0.00 C ATOM 758 CG ASP A 52 3.357 10.453 -5.084 1.00 0.00 C ATOM 759 OD1 ASP A 52 4.459 10.055 -4.650 1.00 0.00 O ATOM 760 OD2 ASP A 52 2.338 10.561 -4.370 1.00 0.00 O ATOM 0 H ASP A 52 0.826 9.515 -7.915 1.00 0.00 H new ATOM 0 HA ASP A 52 2.950 9.921 -8.475 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.206 11.225 -6.890 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.512 11.616 -6.669 1.00 0.00 H new ATOM 765 N HIS A 53 3.399 7.275 -7.600 1.00 0.00 N ATOM 766 CA HIS A 53 4.208 6.076 -7.413 1.00 0.00 C ATOM 767 C HIS A 53 4.971 5.731 -8.689 1.00 0.00 C ATOM 768 O HIS A 53 4.726 6.313 -9.745 1.00 0.00 O ATOM 769 CB HIS A 53 3.325 4.898 -7.000 1.00 0.00 C ATOM 770 CG HIS A 53 3.150 4.772 -5.518 1.00 0.00 C ATOM 771 ND1 HIS A 53 2.766 3.600 -4.902 1.00 0.00 N ATOM 772 CD2 HIS A 53 3.311 5.681 -4.527 1.00 0.00 C ATOM 773 CE1 HIS A 53 2.697 3.793 -3.597 1.00 0.00 C ATOM 774 NE2 HIS A 53 3.023 5.047 -3.343 1.00 0.00 N ATOM 0 H HIS A 53 2.515 7.116 -8.083 1.00 0.00 H new ATOM 0 HA HIS A 53 4.930 6.275 -6.621 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.345 5.008 -7.465 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.759 3.976 -7.386 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.610 6.712 -4.646 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.421 3.051 -2.862 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.056 5.475 -2.418 1.00 0.00 H new ATOM 782 N GLN A 54 5.897 4.783 -8.581 1.00 0.00 N ATOM 783 CA GLN A 54 6.696 4.363 -9.726 1.00 0.00 C ATOM 784 C GLN A 54 6.062 3.164 -10.423 1.00 0.00 C ATOM 785 O GLN A 54 6.374 2.015 -10.110 1.00 0.00 O ATOM 786 CB GLN A 54 8.118 4.017 -9.283 1.00 0.00 C ATOM 787 CG GLN A 54 9.028 3.600 -10.427 1.00 0.00 C ATOM 788 CD GLN A 54 10.498 3.750 -10.088 1.00 0.00 C ATOM 789 OE1 GLN A 54 10.882 4.625 -9.312 1.00 0.00 O ATOM 790 NE2 GLN A 54 11.330 2.895 -10.671 1.00 0.00 N ATOM 0 H GLN A 54 6.112 4.292 -7.713 1.00 0.00 H new ATOM 0 HA GLN A 54 6.735 5.192 -10.433 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.553 4.881 -8.780 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.075 3.210 -8.551 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.824 2.562 -10.689 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.799 4.202 -11.306 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.968 2.185 -11.308 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.331 2.948 -10.482 1.00 0.00 H new ATOM 799 N VAL A 55 5.168 3.439 -11.368 1.00 0.00 N ATOM 800 CA VAL A 55 4.490 2.382 -12.109 1.00 0.00 C ATOM 801 C VAL A 55 5.038 2.267 -13.527 1.00 0.00 C ATOM 802 O VAL A 55 5.322 3.272 -14.177 1.00 0.00 O ATOM 803 CB VAL A 55 2.971 2.629 -12.176 1.00 0.00 C ATOM 804 CG1 VAL A 55 2.370 2.644 -10.779 1.00 0.00 C ATOM 805 CG2 VAL A 55 2.676 3.931 -12.906 1.00 0.00 C ATOM 0 H VAL A 55 4.897 4.384 -11.638 1.00 0.00 H new ATOM 0 HA VAL A 55 4.676 1.451 -11.574 1.00 0.00 H new ATOM 0 HB VAL A 55 2.512 1.813 -12.734 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.296 2.820 -10.847 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.551 1.684 -10.295 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.832 3.439 -10.193 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.598 4.090 -12.945 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.147 4.760 -12.377 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.071 3.877 -13.920 1.00 0.00 H new ATOM 815 N ALA A 56 5.184 1.033 -14.000 1.00 0.00 N ATOM 816 CA ALA A 56 5.696 0.786 -15.342 1.00 0.00 C ATOM 817 C ALA A 56 4.618 0.188 -16.240 1.00 0.00 C ATOM 818 O ALA A 56 4.365 -1.017 -16.204 1.00 0.00 O ATOM 819 CB ALA A 56 6.907 -0.133 -15.284 1.00 0.00 C ATOM 0 H ALA A 56 4.955 0.190 -13.474 1.00 0.00 H new ATOM 0 HA ALA A 56 5.999 1.742 -15.770 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.279 -0.309 -16.293 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.689 0.333 -14.685 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.622 -1.083 -14.832 1.00 0.00 H new ATOM 825 N SER A 57 3.984 1.037 -17.043 1.00 0.00 N ATOM 826 CA SER A 57 2.930 0.592 -17.946 1.00 0.00 C ATOM 827 C SER A 57 3.296 -0.739 -18.596 1.00 0.00 C ATOM 828 O SER A 57 4.320 -0.852 -19.272 1.00 0.00 O ATOM 829 CB SER A 57 2.675 1.647 -19.025 1.00 0.00 C ATOM 830 OG SER A 57 3.875 1.989 -19.696 1.00 0.00 O ATOM 0 H SER A 57 4.182 2.037 -17.086 1.00 0.00 H new ATOM 0 HA SER A 57 2.020 0.452 -17.362 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.948 1.269 -19.743 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.241 2.538 -18.572 1.00 0.00 H new ATOM 0 HG SER A 57 4.370 1.173 -19.918 1.00 0.00 H new ATOM 836 N LEU A 58 2.454 -1.744 -18.387 1.00 0.00 N ATOM 837 CA LEU A 58 2.687 -3.068 -18.952 1.00 0.00 C ATOM 838 C LEU A 58 2.531 -3.049 -20.469 1.00 0.00 C ATOM 839 O LEU A 58 3.419 -3.484 -21.200 1.00 0.00 O ATOM 840 CB LEU A 58 1.719 -4.083 -18.341 1.00 0.00 C ATOM 841 CG LEU A 58 1.700 -4.157 -16.814 1.00 0.00 C ATOM 842 CD1 LEU A 58 0.417 -4.814 -16.327 1.00 0.00 C ATOM 843 CD2 LEU A 58 2.916 -4.914 -16.301 1.00 0.00 C ATOM 0 H LEU A 58 1.603 -1.667 -17.830 1.00 0.00 H new ATOM 0 HA LEU A 58 3.709 -3.362 -18.714 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.712 -3.848 -18.686 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.967 -5.071 -18.730 1.00 0.00 H new ATOM 0 HG LEU A 58 1.736 -3.141 -16.420 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.421 -4.858 -15.238 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.441 -4.231 -16.663 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.350 -5.824 -16.731 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.885 -4.957 -15.212 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.911 -5.927 -16.704 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.824 -4.402 -16.619 1.00 0.00 H new ATOM 855 N ASN A 59 1.395 -2.538 -20.935 1.00 0.00 N ATOM 856 CA ASN A 59 1.123 -2.460 -22.365 1.00 0.00 C ATOM 857 C ASN A 59 2.154 -1.582 -23.068 1.00 0.00 C ATOM 858 O ASN A 59 2.886 -0.829 -22.424 1.00 0.00 O ATOM 859 CB ASN A 59 -0.283 -1.909 -22.608 1.00 0.00 C ATOM 860 CG ASN A 59 -1.366 -2.837 -22.092 1.00 0.00 C ATOM 861 OD1 ASN A 59 -1.329 -3.271 -20.940 1.00 0.00 O ATOM 862 ND2 ASN A 59 -2.336 -3.146 -22.944 1.00 0.00 N ATOM 0 H ASN A 59 0.649 -2.172 -20.343 1.00 0.00 H new ATOM 0 HA ASN A 59 1.188 -3.467 -22.777 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.379 -0.938 -22.122 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.427 -1.746 -23.676 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.092 -3.767 -22.653 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.326 -2.763 -23.889 1.00 0.00 H new ATOM 869 N ASP A 60 2.205 -1.683 -24.392 1.00 0.00 N ATOM 870 CA ASP A 60 3.145 -0.897 -25.183 1.00 0.00 C ATOM 871 C ASP A 60 2.748 0.576 -25.193 1.00 0.00 C ATOM 872 O ASP A 60 1.711 0.953 -24.648 1.00 0.00 O ATOM 873 CB ASP A 60 3.210 -1.431 -26.615 1.00 0.00 C ATOM 874 CG ASP A 60 3.712 -2.859 -26.678 1.00 0.00 C ATOM 875 OD1 ASP A 60 3.230 -3.694 -25.885 1.00 0.00 O ATOM 876 OD2 ASP A 60 4.589 -3.143 -27.522 1.00 0.00 O ATOM 0 H ASP A 60 1.607 -2.301 -24.940 1.00 0.00 H new ATOM 0 HA ASP A 60 4.130 -0.986 -24.726 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.219 -1.377 -27.065 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.864 -0.792 -27.208 1.00 0.00 H new ATOM 881 N ARG A 61 3.582 1.403 -25.814 1.00 0.00 N ATOM 882 CA ARG A 61 3.319 2.835 -25.893 1.00 0.00 C ATOM 883 C ARG A 61 3.562 3.356 -27.306 1.00 0.00 C ATOM 884 O ARG A 61 4.651 3.198 -27.859 1.00 0.00 O ATOM 885 CB ARG A 61 4.203 3.593 -24.900 1.00 0.00 C ATOM 886 CG ARG A 61 3.678 3.566 -23.474 1.00 0.00 C ATOM 887 CD ARG A 61 2.344 4.286 -23.357 1.00 0.00 C ATOM 888 NE ARG A 61 2.003 4.586 -21.969 1.00 0.00 N ATOM 889 CZ ARG A 61 0.765 4.828 -21.553 1.00 0.00 C ATOM 890 NH1 ARG A 61 -0.244 4.806 -22.413 1.00 0.00 N ATOM 891 NH2 ARG A 61 0.534 5.094 -20.273 1.00 0.00 N ATOM 0 H ARG A 61 4.445 1.107 -26.270 1.00 0.00 H new ATOM 0 HA ARG A 61 2.272 3.001 -25.638 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.205 3.164 -24.918 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.294 4.629 -25.225 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.565 2.533 -23.147 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.404 4.033 -22.809 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.381 5.213 -23.929 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.560 3.670 -23.798 1.00 0.00 H new ATOM 0 HE ARG A 61 2.756 4.611 -21.282 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.071 4.603 -23.397 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.193 4.992 -22.090 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.307 5.113 -19.608 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.417 5.280 -19.954 1.00 0.00 H new ATOM 905 N PHE A 62 2.540 3.977 -27.886 1.00 0.00 N ATOM 906 CA PHE A 62 2.642 4.520 -29.236 1.00 0.00 C ATOM 907 C PHE A 62 3.592 5.713 -29.272 1.00 0.00 C ATOM 908 O PHE A 62 4.079 6.163 -28.235 1.00 0.00 O ATOM 909 CB PHE A 62 1.261 4.937 -29.746 1.00 0.00 C ATOM 910 CG PHE A 62 0.442 3.790 -30.264 1.00 0.00 C ATOM 911 CD1 PHE A 62 0.613 3.328 -31.559 1.00 0.00 C ATOM 912 CD2 PHE A 62 -0.501 3.174 -29.456 1.00 0.00 C ATOM 913 CE1 PHE A 62 -0.139 2.272 -32.038 1.00 0.00 C ATOM 914 CE2 PHE A 62 -1.255 2.118 -29.930 1.00 0.00 C ATOM 915 CZ PHE A 62 -1.076 1.667 -31.223 1.00 0.00 C ATOM 0 H PHE A 62 1.632 4.117 -27.443 1.00 0.00 H new ATOM 0 HA PHE A 62 3.041 3.741 -29.885 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.717 5.426 -28.938 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.383 5.674 -30.540 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.342 3.799 -32.202 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.648 3.524 -28.445 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.006 1.920 -33.049 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.985 1.645 -29.289 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.667 0.844 -31.596 1.00 0.00 H new ATOM 925 N GLU A 63 3.851 6.220 -30.473 1.00 0.00 N ATOM 926 CA GLU A 63 4.743 7.360 -30.645 1.00 0.00 C ATOM 927 C GLU A 63 4.584 7.972 -32.034 1.00 0.00 C ATOM 928 O GLU A 63 4.528 7.259 -33.036 1.00 0.00 O ATOM 929 CB GLU A 63 6.197 6.936 -30.426 1.00 0.00 C ATOM 930 CG GLU A 63 6.617 5.746 -31.273 1.00 0.00 C ATOM 931 CD GLU A 63 7.178 6.158 -32.620 1.00 0.00 C ATOM 932 OE1 GLU A 63 8.320 6.660 -32.660 1.00 0.00 O ATOM 933 OE2 GLU A 63 6.473 5.977 -33.635 1.00 0.00 O ATOM 0 H GLU A 63 3.456 5.859 -31.341 1.00 0.00 H new ATOM 0 HA GLU A 63 4.475 8.112 -29.903 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.850 7.779 -30.650 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.341 6.691 -29.374 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.366 5.167 -30.733 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.758 5.092 -31.426 1.00 0.00 H new ATOM 940 N LYS A 64 4.512 9.298 -32.085 1.00 0.00 N ATOM 941 CA LYS A 64 4.360 10.008 -33.350 1.00 0.00 C ATOM 942 C LYS A 64 3.033 9.657 -34.014 1.00 0.00 C ATOM 943 O LYS A 64 2.982 9.378 -35.213 1.00 0.00 O ATOM 944 CB LYS A 64 5.519 9.670 -34.290 1.00 0.00 C ATOM 945 CG LYS A 64 6.704 10.611 -34.158 1.00 0.00 C ATOM 946 CD LYS A 64 7.301 10.562 -32.761 1.00 0.00 C ATOM 947 CE LYS A 64 8.701 11.155 -32.733 1.00 0.00 C ATOM 948 NZ LYS A 64 9.543 10.538 -31.671 1.00 0.00 N ATOM 0 H LYS A 64 4.556 9.903 -31.265 1.00 0.00 H new ATOM 0 HA LYS A 64 4.370 11.078 -33.142 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.851 8.651 -34.092 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.160 9.694 -35.319 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.466 10.343 -34.890 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.388 11.629 -34.384 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.659 11.109 -32.070 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.335 9.529 -32.415 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.176 11.010 -33.703 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.637 12.230 -32.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.489 10.969 -31.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.103 10.698 -30.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.626 9.516 -31.844 1.00 0.00 H new ATOM 962 N LEU A 65 1.961 9.674 -33.230 1.00 0.00 N ATOM 963 CA LEU A 65 0.632 9.359 -33.743 1.00 0.00 C ATOM 964 C LEU A 65 -0.309 10.550 -33.587 1.00 0.00 C ATOM 965 O LEU A 65 -0.921 11.003 -34.554 1.00 0.00 O ATOM 966 CB LEU A 65 0.058 8.142 -33.016 1.00 0.00 C ATOM 967 CG LEU A 65 -1.177 7.502 -33.651 1.00 0.00 C ATOM 968 CD1 LEU A 65 -1.238 6.018 -33.323 1.00 0.00 C ATOM 969 CD2 LEU A 65 -2.443 8.205 -33.181 1.00 0.00 C ATOM 0 H LEU A 65 1.986 9.903 -32.236 1.00 0.00 H new ATOM 0 HA LEU A 65 0.725 9.130 -34.805 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.839 7.385 -32.945 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.194 8.438 -31.997 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.103 7.612 -34.733 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.123 5.580 -33.783 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.346 5.523 -33.708 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.288 5.886 -32.242 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.312 7.737 -33.643 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.522 8.126 -32.097 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.403 9.256 -33.467 1.00 0.00 H new ATOM 981 N LYS A 66 -0.417 11.054 -32.362 1.00 0.00 N ATOM 982 CA LYS A 66 -1.280 12.194 -32.077 1.00 0.00 C ATOM 983 C LYS A 66 -0.823 13.428 -32.848 1.00 0.00 C ATOM 984 O LYS A 66 0.202 13.400 -33.530 1.00 0.00 O ATOM 985 CB LYS A 66 -1.288 12.491 -30.576 1.00 0.00 C ATOM 986 CG LYS A 66 -2.480 13.319 -30.127 1.00 0.00 C ATOM 987 CD LYS A 66 -2.857 13.016 -28.686 1.00 0.00 C ATOM 988 CE LYS A 66 -2.077 13.885 -27.712 1.00 0.00 C ATOM 989 NZ LYS A 66 -0.708 13.352 -27.467 1.00 0.00 N ATOM 0 H LYS A 66 0.083 10.691 -31.551 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.291 11.942 -32.396 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.283 11.549 -30.028 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.371 13.018 -30.313 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.247 14.379 -30.228 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.331 13.116 -30.777 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.926 13.180 -28.546 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.665 11.965 -28.472 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.007 14.899 -28.106 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.617 13.947 -26.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.336 13.745 -26.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.746 12.315 -27.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.084 13.623 -28.253 1.00 0.00 H new ATOM 1003 N GLN A 67 -1.588 14.509 -32.734 1.00 0.00 N ATOM 1004 CA GLN A 67 -1.259 15.753 -33.420 1.00 0.00 C ATOM 1005 C GLN A 67 -1.113 16.901 -32.426 1.00 0.00 C ATOM 1006 O GLN A 67 -1.491 16.779 -31.260 1.00 0.00 O ATOM 1007 CB GLN A 67 -2.336 16.090 -34.453 1.00 0.00 C ATOM 1008 CG GLN A 67 -1.861 17.043 -35.538 1.00 0.00 C ATOM 1009 CD GLN A 67 -2.731 16.995 -36.778 1.00 0.00 C ATOM 1010 OE1 GLN A 67 -3.881 17.435 -36.762 1.00 0.00 O ATOM 1011 NE2 GLN A 67 -2.185 16.459 -37.864 1.00 0.00 N ATOM 0 H GLN A 67 -2.439 14.548 -32.173 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.306 15.616 -33.931 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.683 15.167 -34.918 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.192 16.531 -33.943 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.851 18.060 -35.145 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.834 16.796 -35.809 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.228 16.106 -37.833 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.722 16.400 -38.729 1.00 0.00 H new ATOM 1020 N THR A 68 -0.563 18.016 -32.895 1.00 0.00 N ATOM 1021 CA THR A 68 -0.366 19.186 -32.047 1.00 0.00 C ATOM 1022 C THR A 68 -1.395 20.267 -32.355 1.00 0.00 C ATOM 1023 O THR A 68 -1.956 20.881 -31.446 1.00 0.00 O ATOM 1024 CB THR A 68 1.047 19.774 -32.222 1.00 0.00 C ATOM 1025 OG1 THR A 68 1.218 20.903 -31.357 1.00 0.00 O ATOM 1026 CG2 THR A 68 1.285 20.193 -33.664 1.00 0.00 C ATOM 0 H THR A 68 -0.246 18.134 -33.857 1.00 0.00 H new ATOM 0 HA THR A 68 -0.489 18.854 -31.016 1.00 0.00 H new ATOM 0 HB THR A 68 1.772 19.003 -31.961 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.119 21.270 -31.473 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.289 20.605 -33.762 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.183 19.326 -34.316 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.553 20.949 -33.949 1.00 0.00 H new ATOM 1034 N LEU A 69 -1.640 20.496 -33.640 1.00 0.00 N ATOM 1035 CA LEU A 69 -2.604 21.504 -34.067 1.00 0.00 C ATOM 1036 C LEU A 69 -4.031 20.977 -33.950 1.00 0.00 C ATOM 1037 O LEU A 69 -4.466 20.151 -34.752 1.00 0.00 O ATOM 1038 CB LEU A 69 -2.323 21.928 -35.510 1.00 0.00 C ATOM 1039 CG LEU A 69 -2.149 20.795 -36.521 1.00 0.00 C ATOM 1040 CD1 LEU A 69 -2.631 21.229 -37.897 1.00 0.00 C ATOM 1041 CD2 LEU A 69 -0.696 20.349 -36.579 1.00 0.00 C ATOM 0 H LEU A 69 -1.185 19.997 -34.405 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.501 22.370 -33.413 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.141 22.565 -35.846 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.420 22.538 -35.519 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.754 19.949 -36.196 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.499 20.410 -38.604 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.686 21.497 -37.845 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.053 22.091 -38.230 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.592 19.542 -37.304 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.069 21.189 -36.879 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.384 19.996 -35.596 1.00 0.00 H new ATOM 1053 N GLU A 70 -4.755 21.463 -32.946 1.00 0.00 N ATOM 1054 CA GLU A 70 -6.133 21.042 -32.725 1.00 0.00 C ATOM 1055 C GLU A 70 -7.112 22.039 -33.339 1.00 0.00 C ATOM 1056 O GLU A 70 -7.910 21.688 -34.208 1.00 0.00 O ATOM 1057 CB GLU A 70 -6.411 20.893 -31.228 1.00 0.00 C ATOM 1058 CG GLU A 70 -5.770 19.662 -30.609 1.00 0.00 C ATOM 1059 CD GLU A 70 -6.530 19.153 -29.400 1.00 0.00 C ATOM 1060 OE1 GLU A 70 -7.125 19.983 -28.681 1.00 0.00 O ATOM 1061 OE2 GLU A 70 -6.530 17.925 -29.174 1.00 0.00 O ATOM 0 H GLU A 70 -4.410 22.148 -32.274 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.273 20.076 -33.211 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.048 21.781 -30.710 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.489 20.850 -31.070 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.714 18.871 -31.357 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.747 19.898 -30.317 1.00 0.00 H new ATOM 1068 N MET A 71 -7.045 23.284 -32.879 1.00 0.00 N ATOM 1069 CA MET A 71 -7.924 24.333 -33.382 1.00 0.00 C ATOM 1070 C MET A 71 -7.234 25.142 -34.476 1.00 0.00 C ATOM 1071 O MET A 71 -6.013 25.097 -34.618 1.00 0.00 O ATOM 1072 CB MET A 71 -8.355 25.258 -32.242 1.00 0.00 C ATOM 1073 CG MET A 71 -9.416 26.268 -32.647 1.00 0.00 C ATOM 1074 SD MET A 71 -10.501 26.721 -31.280 1.00 0.00 S ATOM 1075 CE MET A 71 -11.708 25.399 -31.353 1.00 0.00 C ATOM 0 H MET A 71 -6.391 23.591 -32.159 1.00 0.00 H new ATOM 0 HA MET A 71 -8.808 23.858 -33.808 1.00 0.00 H new ATOM 0 HB2 MET A 71 -8.736 24.653 -31.419 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.481 25.792 -31.868 1.00 0.00 H new ATOM 0 HG2 MET A 71 -8.930 27.164 -33.033 1.00 0.00 H new ATOM 0 HG3 MET A 71 -10.014 25.855 -33.459 1.00 0.00 H new ATOM 0 HE1 MET A 71 -12.449 25.539 -30.566 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.203 25.411 -32.324 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.207 24.441 -31.213 1.00 0.00 H new ATOM 1085 N ASN A 72 -8.025 25.882 -35.247 1.00 0.00 N ATOM 1086 CA ASN A 72 -7.490 26.701 -36.328 1.00 0.00 C ATOM 1087 C ASN A 72 -8.560 27.635 -36.884 1.00 0.00 C ATOM 1088 O ASN A 72 -9.724 27.255 -37.017 1.00 0.00 O ATOM 1089 CB ASN A 72 -6.943 25.811 -37.447 1.00 0.00 C ATOM 1090 CG ASN A 72 -8.034 25.314 -38.376 1.00 0.00 C ATOM 1091 OD1 ASN A 72 -9.057 24.796 -37.928 1.00 0.00 O ATOM 1092 ND2 ASN A 72 -7.820 25.471 -39.677 1.00 0.00 N ATOM 0 H ASN A 72 -9.038 25.931 -35.143 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.679 27.307 -35.924 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.205 26.369 -38.023 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.426 24.957 -37.009 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.519 25.157 -40.350 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.957 25.906 -40.003 1.00 0.00 H new ATOM 1099 N LEU A 73 -8.158 28.860 -37.207 1.00 0.00 N ATOM 1100 CA LEU A 73 -9.082 29.850 -37.749 1.00 0.00 C ATOM 1101 C LEU A 73 -8.465 30.575 -38.941 1.00 0.00 C ATOM 1102 O LEU A 73 -7.259 30.823 -38.975 1.00 0.00 O ATOM 1103 CB LEU A 73 -9.471 30.860 -36.668 1.00 0.00 C ATOM 1104 CG LEU A 73 -8.315 31.470 -35.874 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -7.830 32.750 -36.537 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -8.739 31.739 -34.437 1.00 0.00 C ATOM 0 H LEU A 73 -7.199 29.191 -37.103 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.977 29.328 -38.088 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.029 31.669 -37.139 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.148 30.371 -35.968 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.491 30.757 -35.861 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.007 33.170 -35.958 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.487 32.529 -37.548 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.648 33.470 -36.581 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.904 32.173 -33.887 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.579 32.434 -34.429 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.038 30.803 -33.965 1.00 0.00 H new ATOM 1118 N THR A 74 -9.301 30.915 -39.918 1.00 0.00 N ATOM 1119 CA THR A 74 -8.839 31.613 -41.110 1.00 0.00 C ATOM 1120 C THR A 74 -9.862 32.642 -41.577 1.00 0.00 C ATOM 1121 O THR A 74 -10.910 32.288 -42.116 1.00 0.00 O ATOM 1122 CB THR A 74 -8.553 30.630 -42.261 1.00 0.00 C ATOM 1123 OG1 THR A 74 -9.660 29.737 -42.428 1.00 0.00 O ATOM 1124 CG2 THR A 74 -7.287 29.832 -41.990 1.00 0.00 C ATOM 0 H THR A 74 -10.302 30.718 -39.906 1.00 0.00 H new ATOM 0 HA THR A 74 -7.914 32.123 -40.839 1.00 0.00 H new ATOM 0 HB THR A 74 -8.410 31.207 -43.175 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.497 30.246 -42.402 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.106 29.145 -42.817 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.442 30.513 -41.892 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.405 29.265 -41.066 1.00 0.00 H new ATOM 1132 N ASN A 75 -9.551 33.917 -41.368 1.00 0.00 N ATOM 1133 CA ASN A 75 -10.445 34.997 -41.768 1.00 0.00 C ATOM 1134 C ASN A 75 -9.691 36.064 -42.557 1.00 0.00 C ATOM 1135 O ASN A 75 -8.895 36.819 -41.997 1.00 0.00 O ATOM 1136 CB ASN A 75 -11.102 35.626 -40.538 1.00 0.00 C ATOM 1137 CG ASN A 75 -11.828 34.604 -39.684 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -11.530 34.443 -38.501 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -12.787 33.907 -40.283 1.00 0.00 N ATOM 0 H ASN A 75 -8.687 34.227 -40.924 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.219 34.575 -42.409 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -10.340 36.123 -39.937 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.806 36.394 -40.858 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.310 33.205 -39.760 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.000 34.074 -41.266 1.00 0.00 H new ATOM 1146 N LEU A 76 -9.947 36.120 -43.859 1.00 0.00 N ATOM 1147 CA LEU A 76 -9.293 37.095 -44.726 1.00 0.00 C ATOM 1148 C LEU A 76 -9.882 37.055 -46.132 1.00 0.00 C ATOM 1149 O LEU A 76 -10.095 35.982 -46.697 1.00 0.00 O ATOM 1150 CB LEU A 76 -7.788 36.827 -44.783 1.00 0.00 C ATOM 1151 CG LEU A 76 -7.362 35.545 -45.500 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -5.904 35.630 -45.923 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -7.590 34.334 -44.607 1.00 0.00 C ATOM 0 H LEU A 76 -10.602 35.502 -44.338 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.464 38.088 -44.309 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.307 37.672 -45.275 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.406 36.793 -43.763 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.973 35.432 -46.395 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.618 34.709 -46.432 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.770 36.474 -46.599 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.277 35.767 -45.042 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.281 33.431 -45.133 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.004 34.440 -43.694 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.648 34.263 -44.354 1.00 0.00 H new ATOM 1165 N VAL A 77 -10.143 38.232 -46.693 1.00 0.00 N ATOM 1166 CA VAL A 77 -10.704 38.332 -48.034 1.00 0.00 C ATOM 1167 C VAL A 77 -9.648 38.774 -49.041 1.00 0.00 C ATOM 1168 O VAL A 77 -8.603 39.308 -48.667 1.00 0.00 O ATOM 1169 CB VAL A 77 -11.884 39.321 -48.077 1.00 0.00 C ATOM 1170 CG1 VAL A 77 -13.016 38.842 -47.180 1.00 0.00 C ATOM 1171 CG2 VAL A 77 -11.425 40.714 -47.672 1.00 0.00 C ATOM 0 H VAL A 77 -9.974 39.129 -46.239 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.063 37.338 -48.301 1.00 0.00 H new ATOM 0 HB VAL A 77 -12.259 39.369 -49.099 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.841 39.554 -47.223 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.361 37.865 -47.520 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.658 38.763 -46.153 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.271 41.401 -47.708 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.024 40.685 -46.659 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.651 41.056 -48.359 1.00 0.00 H new ATOM 1181 N LYS A 78 -9.927 38.548 -50.320 1.00 0.00 N ATOM 1182 CA LYS A 78 -9.002 38.924 -51.383 1.00 0.00 C ATOM 1183 C LYS A 78 -9.635 38.713 -52.755 1.00 0.00 C ATOM 1184 O LYS A 78 -10.544 37.899 -52.911 1.00 0.00 O ATOM 1185 CB LYS A 78 -7.710 38.110 -51.275 1.00 0.00 C ATOM 1186 CG LYS A 78 -7.904 36.625 -51.529 1.00 0.00 C ATOM 1187 CD LYS A 78 -6.580 35.927 -51.788 1.00 0.00 C ATOM 1188 CE LYS A 78 -6.189 36.000 -53.256 1.00 0.00 C ATOM 1189 NZ LYS A 78 -7.094 35.185 -54.113 1.00 0.00 N ATOM 0 H LYS A 78 -10.787 38.106 -50.646 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.768 39.982 -51.269 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.984 38.500 -51.988 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.286 38.248 -50.280 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.395 36.169 -50.669 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.564 36.484 -52.385 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.801 36.386 -51.180 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.651 34.884 -51.481 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.213 37.038 -53.587 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.163 35.651 -53.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.605 34.937 -54.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.360 34.315 -53.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.950 35.733 -54.333 1.00 0.00 H new ATOM 1203 N SER A 79 -9.147 39.452 -53.746 1.00 0.00 N ATOM 1204 CA SER A 79 -9.667 39.347 -55.105 1.00 0.00 C ATOM 1205 C SER A 79 -8.666 39.902 -56.114 1.00 0.00 C ATOM 1206 O SER A 79 -7.736 40.622 -55.752 1.00 0.00 O ATOM 1207 CB SER A 79 -10.996 40.096 -55.224 1.00 0.00 C ATOM 1208 OG SER A 79 -11.606 39.855 -56.480 1.00 0.00 O ATOM 0 H SER A 79 -8.393 40.130 -53.634 1.00 0.00 H new ATOM 0 HA SER A 79 -9.831 38.292 -55.324 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.667 39.782 -54.424 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.827 41.165 -55.097 1.00 0.00 H new ATOM 0 HG SER A 79 -12.454 40.343 -56.531 1.00 0.00 H new ATOM 1214 N GLY A 80 -8.863 39.559 -57.383 1.00 0.00 N ATOM 1215 CA GLY A 80 -7.971 40.030 -58.426 1.00 0.00 C ATOM 1216 C GLY A 80 -7.951 39.111 -59.631 1.00 0.00 C ATOM 1217 O GLY A 80 -7.212 38.127 -59.676 1.00 0.00 O ATOM 0 H GLY A 80 -9.625 38.963 -57.707 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.278 41.028 -58.739 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.962 40.119 -58.024 1.00 0.00 H new ATOM 1221 N PRO A 81 -8.779 39.429 -60.637 1.00 0.00 N ATOM 1222 CA PRO A 81 -8.873 38.636 -61.866 1.00 0.00 C ATOM 1223 C PRO A 81 -7.622 38.754 -62.729 1.00 0.00 C ATOM 1224 O PRO A 81 -6.702 39.506 -62.406 1.00 0.00 O ATOM 1225 CB PRO A 81 -10.080 39.241 -62.588 1.00 0.00 C ATOM 1226 CG PRO A 81 -10.165 40.638 -62.077 1.00 0.00 C ATOM 1227 CD PRO A 81 -9.688 40.588 -60.652 1.00 0.00 C ATOM 0 HA PRO A 81 -8.974 37.571 -61.657 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.945 39.222 -63.669 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.991 38.684 -62.371 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -9.546 41.309 -62.672 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.187 41.013 -62.133 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.173 41.506 -60.368 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.516 40.458 -59.955 1.00 0.00 H new ATOM 1235 N SER A 82 -7.594 38.008 -63.829 1.00 0.00 N ATOM 1236 CA SER A 82 -6.454 38.027 -64.737 1.00 0.00 C ATOM 1237 C SER A 82 -6.779 37.290 -66.033 1.00 0.00 C ATOM 1238 O SER A 82 -7.636 36.407 -66.060 1.00 0.00 O ATOM 1239 CB SER A 82 -5.232 37.392 -64.069 1.00 0.00 C ATOM 1240 OG SER A 82 -4.486 38.357 -63.348 1.00 0.00 O ATOM 0 H SER A 82 -8.348 37.383 -64.113 1.00 0.00 H new ATOM 0 HA SER A 82 -6.230 39.066 -64.977 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.554 36.598 -63.395 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.599 36.930 -64.826 1.00 0.00 H new ATOM 0 HG SER A 82 -5.084 38.853 -62.751 1.00 0.00 H new ATOM 1246 N SER A 83 -6.087 37.660 -67.106 1.00 0.00 N ATOM 1247 CA SER A 83 -6.304 37.038 -68.407 1.00 0.00 C ATOM 1248 C SER A 83 -5.281 37.535 -69.424 1.00 0.00 C ATOM 1249 O SER A 83 -4.543 38.484 -69.166 1.00 0.00 O ATOM 1250 CB SER A 83 -7.720 37.332 -68.907 1.00 0.00 C ATOM 1251 OG SER A 83 -8.631 36.337 -68.471 1.00 0.00 O ATOM 0 H SER A 83 -5.372 38.387 -67.100 1.00 0.00 H new ATOM 0 HA SER A 83 -6.183 35.961 -68.292 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.042 38.308 -68.545 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.722 37.380 -69.996 1.00 0.00 H new ATOM 0 HG SER A 83 -8.395 36.052 -67.563 1.00 0.00 H new ATOM 1257 N GLY A 84 -5.244 36.884 -70.583 1.00 0.00 N ATOM 1258 CA GLY A 84 -4.308 37.272 -71.622 1.00 0.00 C ATOM 1259 C GLY A 84 -3.459 36.111 -72.101 1.00 0.00 C ATOM 1260 O GLY A 84 -3.030 35.303 -71.279 1.00 0.00 O ATOM 0 H GLY A 84 -5.845 36.095 -70.821 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.859 37.688 -72.466 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.658 38.062 -71.245 1.00 0.00 H new TER 1264 GLY A 84 HETATM 1265 ZN ZN A 201 -6.988 -0.790 -8.043 1.00 0.00 ZN HETATM 1266 ZN ZN A 401 2.333 1.546 -4.971 1.00 0.00 ZN