USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 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+ -118:sc= 0.0952 (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 HE2:sc= -1.89 K(o=-1.9,f=-1.3) USER MOD Single : A 20 THR OG1 : rot -160:sc= -0.812 USER MOD Single : A 26 ASN : amide:sc= -0.0617 X(o=-0.062,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -124:sc= -0.0892 (180deg=-0.52) USER MOD Single : A 30 ASN : amide:sc= -4.68! C(o=-4.7!,f=-4.7!) USER MOD Single : A 31 MET CE :methyl 163:sc= -2.46! (180deg=-3.14!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 38 GLN : amide:sc= -1.55! K(o=-1.5!,f=-0.68) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -3.95! C(o=-4!,f=-12!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0265 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.351 K(o=-0.35,f=-0.97) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.672 -47.761 25.042 1.00 0.00 N ATOM 2 CA GLY A 1 -19.816 -46.351 24.729 1.00 0.00 C ATOM 3 C GLY A 1 -19.172 -45.983 23.407 1.00 0.00 C ATOM 4 O GLY A 1 -18.580 -46.830 22.739 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.612 -48.201 25.101 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.118 -48.227 24.296 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.183 -47.866 25.954 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.875 -46.095 24.698 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.368 -45.757 25.526 1.00 0.00 H new ATOM 8 N SER A 2 -19.290 -44.714 23.026 1.00 0.00 N ATOM 9 CA SER A 2 -18.720 -44.237 21.772 1.00 0.00 C ATOM 10 C SER A 2 -18.759 -42.713 21.703 1.00 0.00 C ATOM 11 O SER A 2 -19.646 -42.078 22.274 1.00 0.00 O ATOM 12 CB SER A 2 -19.477 -44.832 20.584 1.00 0.00 C ATOM 13 OG SER A 2 -20.840 -44.447 20.603 1.00 0.00 O ATOM 0 H SER A 2 -19.775 -43.999 23.568 1.00 0.00 H new ATOM 0 HA SER A 2 -17.680 -44.559 21.728 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.016 -44.502 19.653 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.403 -45.919 20.609 1.00 0.00 H new ATOM 0 HG SER A 2 -21.301 -44.839 19.832 1.00 0.00 H new ATOM 19 N SER A 3 -17.792 -42.133 21.000 1.00 0.00 N ATOM 20 CA SER A 3 -17.713 -40.684 20.859 1.00 0.00 C ATOM 21 C SER A 3 -18.479 -40.216 19.625 1.00 0.00 C ATOM 22 O SER A 3 -18.937 -41.026 18.821 1.00 0.00 O ATOM 23 CB SER A 3 -16.252 -40.239 20.765 1.00 0.00 C ATOM 24 OG SER A 3 -16.111 -38.874 21.120 1.00 0.00 O ATOM 0 H SER A 3 -17.052 -42.644 20.519 1.00 0.00 H new ATOM 0 HA SER A 3 -18.167 -40.232 21.741 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.638 -40.854 21.423 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.886 -40.394 19.750 1.00 0.00 H new ATOM 0 HG SER A 3 -15.168 -38.614 21.054 1.00 0.00 H new ATOM 30 N GLY A 4 -18.613 -38.901 19.483 1.00 0.00 N ATOM 31 CA GLY A 4 -19.324 -38.346 18.346 1.00 0.00 C ATOM 32 C GLY A 4 -18.502 -37.319 17.593 1.00 0.00 C ATOM 33 O GLY A 4 -17.699 -36.599 18.187 1.00 0.00 O ATOM 0 H GLY A 4 -18.242 -38.210 20.135 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.603 -39.152 17.667 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.250 -37.884 18.690 1.00 0.00 H new ATOM 37 N SER A 5 -18.699 -37.253 16.280 1.00 0.00 N ATOM 38 CA SER A 5 -17.965 -36.311 15.444 1.00 0.00 C ATOM 39 C SER A 5 -18.558 -36.255 14.039 1.00 0.00 C ATOM 40 O SER A 5 -19.500 -36.982 13.722 1.00 0.00 O ATOM 41 CB SER A 5 -16.489 -36.704 15.370 1.00 0.00 C ATOM 42 OG SER A 5 -15.670 -35.572 15.135 1.00 0.00 O ATOM 0 H SER A 5 -19.361 -37.841 15.773 1.00 0.00 H new ATOM 0 HA SER A 5 -18.048 -35.322 15.895 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.191 -37.185 16.301 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.343 -37.434 14.573 1.00 0.00 H new ATOM 0 HG SER A 5 -14.731 -35.850 15.094 1.00 0.00 H new ATOM 48 N SER A 6 -18.000 -35.388 13.201 1.00 0.00 N ATOM 49 CA SER A 6 -18.475 -35.233 11.832 1.00 0.00 C ATOM 50 C SER A 6 -17.463 -34.462 10.989 1.00 0.00 C ATOM 51 O SER A 6 -16.675 -33.675 11.511 1.00 0.00 O ATOM 52 CB SER A 6 -19.824 -34.511 11.816 1.00 0.00 C ATOM 53 OG SER A 6 -20.331 -34.408 10.497 1.00 0.00 O ATOM 0 H SER A 6 -17.218 -34.782 13.447 1.00 0.00 H new ATOM 0 HA SER A 6 -18.598 -36.227 11.402 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.536 -35.050 12.442 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.712 -33.515 12.245 1.00 0.00 H new ATOM 0 HG SER A 6 -21.194 -33.945 10.514 1.00 0.00 H new ATOM 59 N GLY A 7 -17.492 -34.696 9.680 1.00 0.00 N ATOM 60 CA GLY A 7 -16.573 -34.017 8.786 1.00 0.00 C ATOM 61 C GLY A 7 -17.205 -33.685 7.448 1.00 0.00 C ATOM 62 O GLY A 7 -18.352 -34.047 7.189 1.00 0.00 O ATOM 0 H GLY A 7 -18.135 -35.343 9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.224 -33.098 9.258 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.697 -34.645 8.625 1.00 0.00 H new ATOM 66 N VAL A 8 -16.455 -32.992 6.597 1.00 0.00 N ATOM 67 CA VAL A 8 -16.949 -32.610 5.279 1.00 0.00 C ATOM 68 C VAL A 8 -15.799 -32.254 4.344 1.00 0.00 C ATOM 69 O VAL A 8 -14.918 -31.472 4.697 1.00 0.00 O ATOM 70 CB VAL A 8 -17.914 -31.413 5.367 1.00 0.00 C ATOM 71 CG1 VAL A 8 -17.203 -30.194 5.934 1.00 0.00 C ATOM 72 CG2 VAL A 8 -18.508 -31.107 4.000 1.00 0.00 C ATOM 0 H VAL A 8 -15.503 -32.684 6.796 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.485 -33.471 4.880 1.00 0.00 H new ATOM 0 HB VAL A 8 -18.729 -31.674 6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.901 -29.358 5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -16.831 -30.422 6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -16.367 -29.927 5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -19.188 -30.259 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.707 -30.866 3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -19.055 -31.977 3.638 1.00 0.00 H new ATOM 82 N GLU A 9 -15.816 -32.834 3.148 1.00 0.00 N ATOM 83 CA GLU A 9 -14.773 -32.578 2.161 1.00 0.00 C ATOM 84 C GLU A 9 -15.288 -31.668 1.049 1.00 0.00 C ATOM 85 O GLU A 9 -16.420 -31.796 0.582 1.00 0.00 O ATOM 86 CB GLU A 9 -14.270 -33.894 1.564 1.00 0.00 C ATOM 87 CG GLU A 9 -15.293 -34.596 0.687 1.00 0.00 C ATOM 88 CD GLU A 9 -14.984 -36.068 0.493 1.00 0.00 C ATOM 89 OE1 GLU A 9 -15.285 -36.863 1.407 1.00 0.00 O ATOM 90 OE2 GLU A 9 -14.440 -36.424 -0.574 1.00 0.00 O ATOM 0 H GLU A 9 -16.539 -33.483 2.839 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.947 -32.077 2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.374 -33.697 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.979 -34.563 2.374 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.282 -34.492 1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.330 -34.105 -0.286 1.00 0.00 H new ATOM 97 N PRO A 10 -14.438 -30.725 0.616 1.00 0.00 N ATOM 98 CA PRO A 10 -14.784 -29.775 -0.445 1.00 0.00 C ATOM 99 C PRO A 10 -14.892 -30.445 -1.811 1.00 0.00 C ATOM 100 O PRO A 10 -14.447 -31.577 -1.995 1.00 0.00 O ATOM 101 CB PRO A 10 -13.619 -28.783 -0.427 1.00 0.00 C ATOM 102 CG PRO A 10 -12.476 -29.552 0.140 1.00 0.00 C ATOM 103 CD PRO A 10 -13.073 -30.515 1.127 1.00 0.00 C ATOM 0 HA PRO A 10 -15.757 -29.314 -0.277 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.393 -28.419 -1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.851 -27.911 0.184 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.935 -30.082 -0.644 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.762 -28.888 0.626 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.511 -31.448 1.168 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.081 -30.103 2.136 1.00 0.00 H new ATOM 111 N VAL A 11 -15.487 -29.737 -2.767 1.00 0.00 N ATOM 112 CA VAL A 11 -15.652 -30.263 -4.117 1.00 0.00 C ATOM 113 C VAL A 11 -15.014 -29.339 -5.148 1.00 0.00 C ATOM 114 O VAL A 11 -15.249 -28.130 -5.165 1.00 0.00 O ATOM 115 CB VAL A 11 -17.139 -30.455 -4.466 1.00 0.00 C ATOM 116 CG1 VAL A 11 -17.303 -30.790 -5.941 1.00 0.00 C ATOM 117 CG2 VAL A 11 -17.756 -31.538 -3.593 1.00 0.00 C ATOM 0 H VAL A 11 -15.862 -28.798 -2.631 1.00 0.00 H new ATOM 0 HA VAL A 11 -15.153 -31.231 -4.143 1.00 0.00 H new ATOM 0 HB VAL A 11 -17.664 -29.520 -4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.361 -30.922 -6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -16.900 -29.977 -6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -16.765 -31.711 -6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -18.807 -31.660 -3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -17.230 -32.479 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.673 -31.252 -2.545 1.00 0.00 H new ATOM 127 N PRO A 12 -14.187 -29.919 -6.030 1.00 0.00 N ATOM 128 CA PRO A 12 -13.498 -29.166 -7.083 1.00 0.00 C ATOM 129 C PRO A 12 -14.456 -28.667 -8.160 1.00 0.00 C ATOM 130 O PRO A 12 -15.185 -29.451 -8.767 1.00 0.00 O ATOM 131 CB PRO A 12 -12.521 -30.188 -7.669 1.00 0.00 C ATOM 132 CG PRO A 12 -13.138 -31.512 -7.379 1.00 0.00 C ATOM 133 CD PRO A 12 -13.861 -31.354 -6.069 1.00 0.00 C ATOM 0 HA PRO A 12 -13.016 -28.269 -6.694 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.388 -30.039 -8.741 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.536 -30.102 -7.211 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.827 -31.804 -8.172 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -12.378 -32.291 -7.314 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -14.759 -31.971 -6.028 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.235 -31.647 -5.226 1.00 0.00 H new ATOM 141 N ASP A 13 -14.448 -27.359 -8.391 1.00 0.00 N ATOM 142 CA ASP A 13 -15.315 -26.755 -9.397 1.00 0.00 C ATOM 143 C ASP A 13 -14.506 -25.913 -10.378 1.00 0.00 C ATOM 144 O ASP A 13 -14.173 -24.761 -10.097 1.00 0.00 O ATOM 145 CB ASP A 13 -16.385 -25.892 -8.726 1.00 0.00 C ATOM 146 CG ASP A 13 -17.359 -26.713 -7.904 1.00 0.00 C ATOM 147 OD1 ASP A 13 -18.378 -27.164 -8.467 1.00 0.00 O ATOM 148 OD2 ASP A 13 -17.103 -26.903 -6.696 1.00 0.00 O ATOM 0 H ASP A 13 -13.851 -26.696 -7.896 1.00 0.00 H new ATOM 0 HA ASP A 13 -15.801 -27.558 -9.951 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.903 -25.155 -8.084 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -16.933 -25.340 -9.489 1.00 0.00 H new ATOM 153 N THR A 14 -14.190 -26.495 -11.530 1.00 0.00 N ATOM 154 CA THR A 14 -13.418 -25.800 -12.552 1.00 0.00 C ATOM 155 C THR A 14 -14.215 -24.649 -13.155 1.00 0.00 C ATOM 156 O THR A 14 -15.270 -24.859 -13.756 1.00 0.00 O ATOM 157 CB THR A 14 -12.987 -26.757 -13.679 1.00 0.00 C ATOM 158 OG1 THR A 14 -12.224 -27.841 -13.136 1.00 0.00 O ATOM 159 CG2 THR A 14 -12.162 -26.024 -14.726 1.00 0.00 C ATOM 0 H THR A 14 -14.457 -27.447 -11.779 1.00 0.00 H new ATOM 0 HA THR A 14 -12.528 -25.405 -12.062 1.00 0.00 H new ATOM 0 HB THR A 14 -13.885 -27.149 -14.156 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.955 -28.446 -13.859 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.869 -26.721 -15.512 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.755 -25.218 -15.158 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.269 -25.607 -14.260 1.00 0.00 H new ATOM 167 N HIS A 15 -13.704 -23.433 -12.993 1.00 0.00 N ATOM 168 CA HIS A 15 -14.369 -22.248 -13.524 1.00 0.00 C ATOM 169 C HIS A 15 -13.348 -21.234 -14.032 1.00 0.00 C ATOM 170 O HIS A 15 -12.141 -21.415 -13.864 1.00 0.00 O ATOM 171 CB HIS A 15 -15.250 -21.608 -12.450 1.00 0.00 C ATOM 172 CG HIS A 15 -16.451 -22.428 -12.093 1.00 0.00 C ATOM 173 ND1 HIS A 15 -17.538 -22.574 -12.929 1.00 0.00 N ATOM 174 CD2 HIS A 15 -16.731 -23.151 -10.984 1.00 0.00 C ATOM 175 CE1 HIS A 15 -18.436 -23.350 -12.348 1.00 0.00 C ATOM 176 NE2 HIS A 15 -17.970 -23.714 -11.167 1.00 0.00 N ATOM 0 H HIS A 15 -12.832 -23.242 -12.499 1.00 0.00 H new ATOM 0 HA HIS A 15 -14.995 -22.557 -14.361 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -14.653 -21.443 -11.553 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -15.579 -20.629 -12.798 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -17.634 -22.149 -13.851 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -16.098 -23.264 -10.116 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.389 -23.638 -12.767 1.00 0.00 H new ATOM 184 N LEU A 16 -13.839 -20.168 -14.653 1.00 0.00 N ATOM 185 CA LEU A 16 -12.970 -19.125 -15.187 1.00 0.00 C ATOM 186 C LEU A 16 -13.355 -17.758 -14.631 1.00 0.00 C ATOM 187 O LEU A 16 -14.367 -17.179 -15.027 1.00 0.00 O ATOM 188 CB LEU A 16 -13.041 -19.106 -16.714 1.00 0.00 C ATOM 189 CG LEU A 16 -12.432 -20.312 -17.430 1.00 0.00 C ATOM 190 CD1 LEU A 16 -12.733 -20.257 -18.920 1.00 0.00 C ATOM 191 CD2 LEU A 16 -10.931 -20.373 -17.189 1.00 0.00 C ATOM 0 H LEU A 16 -14.835 -20.003 -14.799 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.948 -19.346 -14.880 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.087 -19.025 -17.008 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.539 -18.206 -17.070 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.882 -21.217 -17.023 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.292 -21.123 -19.413 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -13.812 -20.263 -19.074 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.311 -19.345 -19.343 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.514 -21.237 -17.706 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.464 -19.464 -17.568 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.737 -20.462 -16.120 1.00 0.00 H new ATOM 203 N ARG A 17 -12.541 -17.246 -13.714 1.00 0.00 N ATOM 204 CA ARG A 17 -12.796 -15.947 -13.105 1.00 0.00 C ATOM 205 C ARG A 17 -11.874 -14.881 -13.690 1.00 0.00 C ATOM 206 O ARG A 17 -10.755 -15.176 -14.107 1.00 0.00 O ATOM 207 CB ARG A 17 -12.606 -16.024 -11.589 1.00 0.00 C ATOM 208 CG ARG A 17 -13.589 -16.955 -10.898 1.00 0.00 C ATOM 209 CD ARG A 17 -14.997 -16.380 -10.902 1.00 0.00 C ATOM 210 NE ARG A 17 -15.734 -16.746 -12.109 1.00 0.00 N ATOM 211 CZ ARG A 17 -16.844 -16.133 -12.506 1.00 0.00 C ATOM 212 NH1 ARG A 17 -17.342 -15.130 -11.796 1.00 0.00 N ATOM 213 NH2 ARG A 17 -17.458 -16.524 -13.616 1.00 0.00 N ATOM 0 H ARG A 17 -11.699 -17.712 -13.376 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.828 -15.669 -13.322 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.591 -16.358 -11.375 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.708 -15.024 -11.167 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.589 -17.923 -11.399 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.268 -17.127 -9.871 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.537 -16.737 -10.025 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.945 -15.294 -10.824 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.377 -17.514 -12.678 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.873 -14.827 -10.942 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.194 -14.661 -12.103 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.078 -17.295 -14.165 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -18.310 -16.053 -13.920 1.00 0.00 H new ATOM 227 N GLY A 18 -12.353 -13.641 -13.718 1.00 0.00 N ATOM 228 CA GLY A 18 -11.559 -12.551 -14.255 1.00 0.00 C ATOM 229 C GLY A 18 -10.537 -12.035 -13.262 1.00 0.00 C ATOM 230 O GLY A 18 -10.710 -12.179 -12.051 1.00 0.00 O ATOM 0 H GLY A 18 -13.276 -13.372 -13.379 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.047 -12.888 -15.156 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.219 -11.735 -14.549 1.00 0.00 H new ATOM 234 N ILE A 19 -9.469 -11.433 -13.774 1.00 0.00 N ATOM 235 CA ILE A 19 -8.415 -10.894 -12.923 1.00 0.00 C ATOM 236 C ILE A 19 -8.623 -9.405 -12.667 1.00 0.00 C ATOM 237 O ILE A 19 -8.564 -8.591 -13.588 1.00 0.00 O ATOM 238 CB ILE A 19 -7.024 -11.107 -13.547 1.00 0.00 C ATOM 239 CG1 ILE A 19 -6.753 -12.599 -13.748 1.00 0.00 C ATOM 240 CG2 ILE A 19 -5.949 -10.481 -12.671 1.00 0.00 C ATOM 241 CD1 ILE A 19 -7.224 -13.124 -15.086 1.00 0.00 C ATOM 0 H ILE A 19 -9.311 -11.306 -14.774 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.466 -11.433 -11.977 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.001 -10.619 -14.521 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.683 -12.782 -13.651 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.245 -13.160 -12.953 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.971 -10.640 -13.125 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.135 -9.411 -12.575 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.970 -10.943 -11.684 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.999 -14.188 -15.159 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.300 -12.973 -15.178 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.713 -12.590 -15.887 1.00 0.00 H new ATOM 253 N THR A 20 -8.864 -9.055 -11.407 1.00 0.00 N ATOM 254 CA THR A 20 -9.080 -7.664 -11.028 1.00 0.00 C ATOM 255 C THR A 20 -8.082 -7.223 -9.963 1.00 0.00 C ATOM 256 O THR A 20 -7.180 -7.976 -9.594 1.00 0.00 O ATOM 257 CB THR A 20 -10.509 -7.441 -10.500 1.00 0.00 C ATOM 258 OG1 THR A 20 -10.746 -8.275 -9.360 1.00 0.00 O ATOM 259 CG2 THR A 20 -11.538 -7.744 -11.579 1.00 0.00 C ATOM 0 H THR A 20 -8.914 -9.716 -10.632 1.00 0.00 H new ATOM 0 HA THR A 20 -8.936 -7.065 -11.927 1.00 0.00 H new ATOM 0 HB THR A 20 -10.607 -6.395 -10.211 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.711 -8.375 -9.223 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.540 -7.579 -11.183 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.373 -7.088 -12.433 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.439 -8.782 -11.895 1.00 0.00 H new ATOM 267 N CYS A 21 -8.250 -6.000 -9.472 1.00 0.00 N ATOM 268 CA CYS A 21 -7.364 -5.458 -8.449 1.00 0.00 C ATOM 269 C CYS A 21 -7.909 -5.743 -7.052 1.00 0.00 C ATOM 270 O CYS A 21 -9.122 -5.755 -6.837 1.00 0.00 O ATOM 271 CB CYS A 21 -7.189 -3.951 -8.642 1.00 0.00 C ATOM 272 SG CYS A 21 -6.591 -3.076 -7.161 1.00 0.00 S ATOM 0 H CYS A 21 -8.992 -5.365 -9.766 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.394 -5.945 -8.549 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.489 -3.779 -9.460 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.144 -3.521 -8.944 1.00 0.00 H new ATOM 277 N LEU A 22 -7.005 -5.971 -6.106 1.00 0.00 N ATOM 278 CA LEU A 22 -7.394 -6.255 -4.728 1.00 0.00 C ATOM 279 C LEU A 22 -8.429 -5.249 -4.236 1.00 0.00 C ATOM 280 O LEU A 22 -9.599 -5.587 -4.051 1.00 0.00 O ATOM 281 CB LEU A 22 -6.167 -6.229 -3.816 1.00 0.00 C ATOM 282 CG LEU A 22 -5.240 -7.442 -3.902 1.00 0.00 C ATOM 283 CD1 LEU A 22 -3.871 -7.110 -3.329 1.00 0.00 C ATOM 284 CD2 LEU A 22 -5.850 -8.632 -3.176 1.00 0.00 C ATOM 0 H LEU A 22 -5.998 -5.965 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.839 -7.249 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.586 -5.336 -4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.507 -6.130 -2.785 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.117 -7.707 -4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.225 -7.985 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.430 -6.288 -3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.975 -6.818 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.177 -9.486 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.004 -8.378 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.807 -8.885 -3.632 1.00 0.00 H new ATOM 296 N ASP A 23 -7.993 -4.012 -4.029 1.00 0.00 N ATOM 297 CA ASP A 23 -8.882 -2.955 -3.562 1.00 0.00 C ATOM 298 C ASP A 23 -10.067 -2.784 -4.508 1.00 0.00 C ATOM 299 O ASP A 23 -11.211 -2.658 -4.071 1.00 0.00 O ATOM 300 CB ASP A 23 -8.120 -1.636 -3.436 1.00 0.00 C ATOM 301 CG ASP A 23 -8.687 -0.740 -2.352 1.00 0.00 C ATOM 302 OD1 ASP A 23 -9.922 -0.745 -2.164 1.00 0.00 O ATOM 303 OD2 ASP A 23 -7.896 -0.035 -1.691 1.00 0.00 O ATOM 0 H ASP A 23 -7.028 -3.716 -4.177 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.261 -3.241 -2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.072 -1.845 -3.220 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.150 -1.110 -4.390 1.00 0.00 H new ATOM 308 N HIS A 24 -9.784 -2.780 -5.807 1.00 0.00 N ATOM 309 CA HIS A 24 -10.827 -2.624 -6.815 1.00 0.00 C ATOM 310 C HIS A 24 -10.987 -3.901 -7.634 1.00 0.00 C ATOM 311 O HIS A 24 -10.227 -4.149 -8.569 1.00 0.00 O ATOM 312 CB HIS A 24 -10.500 -1.450 -7.739 1.00 0.00 C ATOM 313 CG HIS A 24 -9.953 -0.256 -7.020 1.00 0.00 C ATOM 314 ND1 HIS A 24 -8.603 -0.043 -6.832 1.00 0.00 N ATOM 315 CD2 HIS A 24 -10.581 0.795 -6.442 1.00 0.00 C ATOM 316 CE1 HIS A 24 -8.426 1.085 -6.168 1.00 0.00 C ATOM 317 NE2 HIS A 24 -9.611 1.614 -5.920 1.00 0.00 N ATOM 0 H HIS A 24 -8.843 -2.883 -6.186 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.767 -2.423 -6.301 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.777 -1.777 -8.486 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.403 -1.158 -8.276 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.648 0.959 -6.400 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.474 1.504 -5.877 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -9.778 2.488 -5.422 1.00 0.00 H new ATOM 325 N GLU A 25 -11.979 -4.709 -7.273 1.00 0.00 N ATOM 326 CA GLU A 25 -12.237 -5.961 -7.974 1.00 0.00 C ATOM 327 C GLU A 25 -13.102 -5.726 -9.209 1.00 0.00 C ATOM 328 O GLU A 25 -13.879 -6.592 -9.609 1.00 0.00 O ATOM 329 CB GLU A 25 -12.921 -6.962 -7.041 1.00 0.00 C ATOM 330 CG GLU A 25 -14.287 -6.507 -6.556 1.00 0.00 C ATOM 331 CD GLU A 25 -14.214 -5.708 -5.269 1.00 0.00 C ATOM 332 OE1 GLU A 25 -13.403 -6.071 -4.391 1.00 0.00 O ATOM 333 OE2 GLU A 25 -14.967 -4.721 -5.140 1.00 0.00 O ATOM 0 H GLU A 25 -12.617 -4.519 -6.500 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.280 -6.371 -8.296 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.028 -7.915 -7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.279 -7.139 -6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.759 -5.901 -7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.923 -7.379 -6.402 1.00 0.00 H new ATOM 340 N ASN A 26 -12.962 -4.548 -9.807 1.00 0.00 N ATOM 341 CA ASN A 26 -13.731 -4.197 -10.995 1.00 0.00 C ATOM 342 C ASN A 26 -12.811 -3.740 -12.123 1.00 0.00 C ATOM 343 O ASN A 26 -13.042 -4.053 -13.291 1.00 0.00 O ATOM 344 CB ASN A 26 -14.742 -3.096 -10.667 1.00 0.00 C ATOM 345 CG ASN A 26 -15.437 -3.327 -9.340 1.00 0.00 C ATOM 346 OD1 ASN A 26 -16.506 -3.935 -9.284 1.00 0.00 O ATOM 347 ND2 ASN A 26 -14.832 -2.840 -8.263 1.00 0.00 N ATOM 0 H ASN A 26 -12.323 -3.820 -9.488 1.00 0.00 H new ATOM 0 HA ASN A 26 -14.268 -5.086 -11.326 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -14.232 -2.133 -10.644 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.488 -3.043 -11.460 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -15.253 -2.963 -7.342 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -13.946 -2.342 -8.357 1.00 0.00 H new ATOM 354 N GLU A 27 -11.768 -2.998 -11.765 1.00 0.00 N ATOM 355 CA GLU A 27 -10.814 -2.497 -12.748 1.00 0.00 C ATOM 356 C GLU A 27 -9.691 -3.504 -12.977 1.00 0.00 C ATOM 357 O GLU A 27 -9.090 -4.008 -12.029 1.00 0.00 O ATOM 358 CB GLU A 27 -10.229 -1.160 -12.288 1.00 0.00 C ATOM 359 CG GLU A 27 -11.270 -0.065 -12.125 1.00 0.00 C ATOM 360 CD GLU A 27 -11.537 0.683 -13.417 1.00 0.00 C ATOM 361 OE1 GLU A 27 -11.591 0.029 -14.480 1.00 0.00 O ATOM 362 OE2 GLU A 27 -11.692 1.921 -13.366 1.00 0.00 O ATOM 0 H GLU A 27 -11.562 -2.731 -10.802 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.344 -2.349 -13.689 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.715 -1.305 -11.338 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.480 -0.833 -13.009 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.200 -0.504 -11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.935 0.640 -11.364 1.00 0.00 H new ATOM 369 N LYS A 28 -9.413 -3.793 -14.244 1.00 0.00 N ATOM 370 CA LYS A 28 -8.363 -4.739 -14.601 1.00 0.00 C ATOM 371 C LYS A 28 -6.984 -4.160 -14.301 1.00 0.00 C ATOM 372 O LYS A 28 -6.681 -3.027 -14.675 1.00 0.00 O ATOM 373 CB LYS A 28 -8.461 -5.107 -16.083 1.00 0.00 C ATOM 374 CG LYS A 28 -9.872 -5.442 -16.534 1.00 0.00 C ATOM 375 CD LYS A 28 -10.182 -6.918 -16.349 1.00 0.00 C ATOM 376 CE LYS A 28 -10.730 -7.202 -14.959 1.00 0.00 C ATOM 377 NZ LYS A 28 -12.210 -7.048 -14.905 1.00 0.00 N ATOM 0 H LYS A 28 -9.901 -3.385 -15.041 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.499 -5.638 -14.000 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.085 -4.277 -16.681 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.813 -5.961 -16.280 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.587 -4.846 -15.967 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.993 -5.173 -17.583 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.907 -7.236 -17.099 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.277 -7.504 -16.511 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.459 -8.215 -14.662 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.268 -6.525 -14.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.461 -6.361 -14.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.558 -6.709 -15.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.647 -7.966 -14.687 1.00 0.00 H new ATOM 391 N VAL A 29 -6.151 -4.945 -13.624 1.00 0.00 N ATOM 392 CA VAL A 29 -4.804 -4.510 -13.276 1.00 0.00 C ATOM 393 C VAL A 29 -3.892 -4.515 -14.498 1.00 0.00 C ATOM 394 O VAL A 29 -3.362 -5.556 -14.885 1.00 0.00 O ATOM 395 CB VAL A 29 -4.188 -5.408 -12.186 1.00 0.00 C ATOM 396 CG1 VAL A 29 -4.903 -5.203 -10.860 1.00 0.00 C ATOM 397 CG2 VAL A 29 -4.239 -6.868 -12.609 1.00 0.00 C ATOM 0 H VAL A 29 -6.386 -5.885 -13.306 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.889 -3.493 -12.893 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.143 -5.128 -12.055 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.455 -5.845 -10.102 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.810 -4.161 -10.554 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.957 -5.456 -10.972 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.800 -7.489 -11.828 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.276 -7.165 -12.768 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.678 -6.999 -13.534 1.00 0.00 H new ATOM 407 N ASN A 30 -3.714 -3.345 -15.102 1.00 0.00 N ATOM 408 CA ASN A 30 -2.866 -3.214 -16.281 1.00 0.00 C ATOM 409 C ASN A 30 -1.571 -2.481 -15.941 1.00 0.00 C ATOM 410 O ASN A 30 -0.833 -2.059 -16.831 1.00 0.00 O ATOM 411 CB ASN A 30 -3.610 -2.468 -17.390 1.00 0.00 C ATOM 412 CG ASN A 30 -3.528 -0.963 -17.231 1.00 0.00 C ATOM 413 OD1 ASN A 30 -2.727 -0.300 -17.891 1.00 0.00 O ATOM 414 ND2 ASN A 30 -4.358 -0.414 -16.352 1.00 0.00 N ATOM 0 H ASN A 30 -4.146 -2.474 -14.794 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.616 -4.216 -16.630 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.194 -2.751 -18.357 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.656 -2.774 -17.391 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.348 0.595 -16.202 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.006 -1.001 -15.826 1.00 0.00 H new ATOM 421 N MET A 31 -1.302 -2.336 -14.648 1.00 0.00 N ATOM 422 CA MET A 31 -0.095 -1.656 -14.190 1.00 0.00 C ATOM 423 C MET A 31 0.623 -2.480 -13.126 1.00 0.00 C ATOM 424 O MET A 31 0.124 -3.518 -12.691 1.00 0.00 O ATOM 425 CB MET A 31 -0.443 -0.274 -13.633 1.00 0.00 C ATOM 426 CG MET A 31 -0.400 0.830 -14.677 1.00 0.00 C ATOM 427 SD MET A 31 -1.968 1.026 -15.545 1.00 0.00 S ATOM 428 CE MET A 31 -2.856 2.084 -14.406 1.00 0.00 C ATOM 0 H MET A 31 -1.903 -2.680 -13.899 1.00 0.00 H new ATOM 0 HA MET A 31 0.572 -1.538 -15.044 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.440 -0.309 -13.194 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.251 -0.030 -12.829 1.00 0.00 H new ATOM 0 HG2 MET A 31 -0.136 1.771 -14.194 1.00 0.00 H new ATOM 0 HG3 MET A 31 0.386 0.611 -15.400 1.00 0.00 H new ATOM 0 HE1 MET A 31 -3.705 2.538 -14.918 1.00 0.00 H new ATOM 0 HE2 MET A 31 -3.214 1.492 -13.564 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.190 2.867 -14.042 1.00 0.00 H new ATOM 438 N TYR A 32 1.795 -2.012 -12.713 1.00 0.00 N ATOM 439 CA TYR A 32 2.582 -2.707 -11.702 1.00 0.00 C ATOM 440 C TYR A 32 3.499 -1.737 -10.963 1.00 0.00 C ATOM 441 O TYR A 32 4.389 -1.129 -11.558 1.00 0.00 O ATOM 442 CB TYR A 32 3.412 -3.819 -12.347 1.00 0.00 C ATOM 443 CG TYR A 32 4.564 -4.291 -11.489 1.00 0.00 C ATOM 444 CD1 TYR A 32 5.776 -3.613 -11.486 1.00 0.00 C ATOM 445 CD2 TYR A 32 4.439 -5.414 -10.681 1.00 0.00 C ATOM 446 CE1 TYR A 32 6.832 -4.041 -10.704 1.00 0.00 C ATOM 447 CE2 TYR A 32 5.489 -5.848 -9.895 1.00 0.00 C ATOM 448 CZ TYR A 32 6.683 -5.159 -9.910 1.00 0.00 C ATOM 449 OH TYR A 32 7.731 -5.588 -9.129 1.00 0.00 O ATOM 0 H TYR A 32 2.221 -1.154 -13.063 1.00 0.00 H new ATOM 0 HA TYR A 32 1.893 -3.148 -10.982 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.762 -4.666 -12.565 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.802 -3.463 -13.300 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.895 -2.736 -12.105 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.505 -5.957 -10.667 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.769 -3.503 -10.715 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.375 -6.723 -9.272 1.00 0.00 H new ATOM 0 HH TYR A 32 7.461 -6.387 -8.630 1.00 0.00 H new ATOM 459 N CYS A 33 3.275 -1.598 -9.661 1.00 0.00 N ATOM 460 CA CYS A 33 4.079 -0.703 -8.837 1.00 0.00 C ATOM 461 C CYS A 33 5.507 -1.223 -8.702 1.00 0.00 C ATOM 462 O CYS A 33 5.734 -2.431 -8.623 1.00 0.00 O ATOM 463 CB CYS A 33 3.449 -0.546 -7.452 1.00 0.00 C ATOM 464 SG CYS A 33 3.959 0.964 -6.569 1.00 0.00 S ATOM 0 H CYS A 33 2.543 -2.094 -9.153 1.00 0.00 H new ATOM 0 HA CYS A 33 4.110 0.270 -9.327 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.364 -0.544 -7.556 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.709 -1.414 -6.846 1.00 0.00 H new ATOM 469 N VAL A 34 6.467 -0.304 -8.677 1.00 0.00 N ATOM 470 CA VAL A 34 7.872 -0.669 -8.551 1.00 0.00 C ATOM 471 C VAL A 34 8.269 -0.827 -7.088 1.00 0.00 C ATOM 472 O VAL A 34 8.957 -1.780 -6.719 1.00 0.00 O ATOM 473 CB VAL A 34 8.787 0.381 -9.209 1.00 0.00 C ATOM 474 CG1 VAL A 34 10.250 0.045 -8.963 1.00 0.00 C ATOM 475 CG2 VAL A 34 8.497 0.480 -10.699 1.00 0.00 C ATOM 0 H VAL A 34 6.297 0.700 -8.742 1.00 0.00 H new ATOM 0 HA VAL A 34 7.998 -1.622 -9.064 1.00 0.00 H new ATOM 0 HB VAL A 34 8.582 1.351 -8.757 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.881 0.798 -9.435 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.444 0.030 -7.891 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.475 -0.934 -9.386 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.152 1.226 -11.148 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.673 -0.488 -11.169 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.458 0.772 -10.849 1.00 0.00 H new ATOM 485 N SER A 35 7.832 0.113 -6.256 1.00 0.00 N ATOM 486 CA SER A 35 8.144 0.081 -4.832 1.00 0.00 C ATOM 487 C SER A 35 7.328 -0.994 -4.122 1.00 0.00 C ATOM 488 O SER A 35 7.872 -1.814 -3.381 1.00 0.00 O ATOM 489 CB SER A 35 7.873 1.446 -4.198 1.00 0.00 C ATOM 490 OG SER A 35 6.616 1.957 -4.606 1.00 0.00 O ATOM 0 H SER A 35 7.260 0.907 -6.544 1.00 0.00 H new ATOM 0 HA SER A 35 9.202 -0.158 -4.722 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.898 1.357 -3.112 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.662 2.144 -4.479 1.00 0.00 H new ATOM 0 HG SER A 35 6.466 2.830 -4.186 1.00 0.00 H new ATOM 496 N ASP A 36 6.020 -0.984 -4.352 1.00 0.00 N ATOM 497 CA ASP A 36 5.127 -1.958 -3.735 1.00 0.00 C ATOM 498 C ASP A 36 5.226 -3.308 -4.439 1.00 0.00 C ATOM 499 O ASP A 36 4.797 -4.331 -3.904 1.00 0.00 O ATOM 500 CB ASP A 36 3.683 -1.454 -3.773 1.00 0.00 C ATOM 501 CG ASP A 36 3.418 -0.379 -2.738 1.00 0.00 C ATOM 502 OD1 ASP A 36 3.182 -0.732 -1.564 1.00 0.00 O ATOM 503 OD2 ASP A 36 3.445 0.816 -3.102 1.00 0.00 O ATOM 0 H ASP A 36 5.554 -0.312 -4.962 1.00 0.00 H new ATOM 0 HA ASP A 36 5.432 -2.086 -2.696 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.465 -1.060 -4.766 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.005 -2.291 -3.606 1.00 0.00 H new ATOM 508 N ASP A 37 5.794 -3.303 -5.640 1.00 0.00 N ATOM 509 CA ASP A 37 5.950 -4.527 -6.417 1.00 0.00 C ATOM 510 C ASP A 37 4.677 -5.366 -6.370 1.00 0.00 C ATOM 511 O ASP A 37 4.722 -6.562 -6.084 1.00 0.00 O ATOM 512 CB ASP A 37 7.133 -5.342 -5.892 1.00 0.00 C ATOM 513 CG ASP A 37 7.218 -5.331 -4.379 1.00 0.00 C ATOM 514 OD1 ASP A 37 6.516 -6.143 -3.739 1.00 0.00 O ATOM 515 OD2 ASP A 37 7.986 -4.512 -3.834 1.00 0.00 O ATOM 0 H ASP A 37 6.154 -2.465 -6.097 1.00 0.00 H new ATOM 0 HA ASP A 37 6.142 -4.249 -7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.045 -6.371 -6.240 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.058 -4.943 -6.308 1.00 0.00 H new ATOM 520 N GLN A 38 3.544 -4.731 -6.651 1.00 0.00 N ATOM 521 CA GLN A 38 2.259 -5.419 -6.638 1.00 0.00 C ATOM 522 C GLN A 38 1.396 -4.983 -7.818 1.00 0.00 C ATOM 523 O GLN A 38 1.481 -3.843 -8.275 1.00 0.00 O ATOM 524 CB GLN A 38 1.523 -5.146 -5.325 1.00 0.00 C ATOM 525 CG GLN A 38 0.378 -6.110 -5.058 1.00 0.00 C ATOM 526 CD GLN A 38 -0.579 -5.600 -3.999 1.00 0.00 C ATOM 527 OE1 GLN A 38 -0.359 -5.792 -2.803 1.00 0.00 O ATOM 528 NE2 GLN A 38 -1.649 -4.944 -4.433 1.00 0.00 N ATOM 0 H GLN A 38 3.490 -3.741 -6.890 1.00 0.00 H new ATOM 0 HA GLN A 38 2.448 -6.489 -6.725 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.234 -5.202 -4.501 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.134 -4.128 -5.341 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.170 -6.283 -5.984 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.783 -7.072 -4.743 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.792 -4.807 -5.434 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.327 -4.577 -3.766 1.00 0.00 H new ATOM 537 N LEU A 39 0.567 -5.898 -8.308 1.00 0.00 N ATOM 538 CA LEU A 39 -0.312 -5.609 -9.436 1.00 0.00 C ATOM 539 C LEU A 39 -1.423 -4.647 -9.028 1.00 0.00 C ATOM 540 O LEU A 39 -2.193 -4.928 -8.109 1.00 0.00 O ATOM 541 CB LEU A 39 -0.917 -6.903 -9.982 1.00 0.00 C ATOM 542 CG LEU A 39 0.049 -7.844 -10.703 1.00 0.00 C ATOM 543 CD1 LEU A 39 -0.648 -9.143 -11.074 1.00 0.00 C ATOM 544 CD2 LEU A 39 0.622 -7.171 -11.942 1.00 0.00 C ATOM 0 H LEU A 39 0.485 -6.847 -7.942 1.00 0.00 H new ATOM 0 HA LEU A 39 0.284 -5.137 -10.217 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.371 -7.446 -9.153 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.721 -6.642 -10.671 1.00 0.00 H new ATOM 0 HG LEU A 39 0.871 -8.078 -10.027 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.055 -9.800 -11.586 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.010 -9.633 -10.170 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.490 -8.929 -11.732 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.307 -7.854 -12.443 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.189 -6.908 -12.621 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.159 -6.268 -11.650 1.00 0.00 H new ATOM 556 N ILE A 40 -1.501 -3.514 -9.718 1.00 0.00 N ATOM 557 CA ILE A 40 -2.521 -2.513 -9.429 1.00 0.00 C ATOM 558 C ILE A 40 -3.365 -2.216 -10.663 1.00 0.00 C ATOM 559 O ILE A 40 -3.111 -2.746 -11.745 1.00 0.00 O ATOM 560 CB ILE A 40 -1.893 -1.201 -8.921 1.00 0.00 C ATOM 561 CG1 ILE A 40 -1.022 -0.573 -10.010 1.00 0.00 C ATOM 562 CG2 ILE A 40 -1.077 -1.457 -7.663 1.00 0.00 C ATOM 563 CD1 ILE A 40 -0.685 0.879 -9.751 1.00 0.00 C ATOM 0 H ILE A 40 -0.871 -3.266 -10.481 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.158 -2.927 -8.648 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.693 -0.503 -8.675 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.097 -1.142 -10.097 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.537 -0.653 -10.967 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.640 -0.521 -7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.724 -1.865 -6.886 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.282 -2.169 -7.884 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.065 1.259 -10.563 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.605 1.461 -9.693 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.142 0.964 -8.810 1.00 0.00 H new ATOM 575 N CYS A 41 -4.369 -1.362 -10.495 1.00 0.00 N ATOM 576 CA CYS A 41 -5.251 -0.991 -11.595 1.00 0.00 C ATOM 577 C CYS A 41 -5.171 0.507 -11.875 1.00 0.00 C ATOM 578 O CYS A 41 -4.389 1.224 -11.253 1.00 0.00 O ATOM 579 CB CYS A 41 -6.694 -1.386 -11.275 1.00 0.00 C ATOM 580 SG CYS A 41 -7.454 -0.405 -9.942 1.00 0.00 S ATOM 0 H CYS A 41 -4.592 -0.913 -9.607 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.924 -1.527 -12.486 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.297 -1.282 -12.177 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.718 -2.439 -10.996 1.00 0.00 H new ATOM 585 N ALA A 42 -5.988 0.971 -12.815 1.00 0.00 N ATOM 586 CA ALA A 42 -6.012 2.384 -13.176 1.00 0.00 C ATOM 587 C ALA A 42 -6.337 3.253 -11.966 1.00 0.00 C ATOM 588 O ALA A 42 -5.589 4.173 -11.631 1.00 0.00 O ATOM 589 CB ALA A 42 -7.020 2.627 -14.289 1.00 0.00 C ATOM 0 H ALA A 42 -6.642 0.390 -13.340 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.020 2.660 -13.533 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.027 3.686 -14.548 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.743 2.041 -15.165 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.013 2.329 -13.952 1.00 0.00 H new ATOM 595 N LEU A 43 -7.457 2.958 -11.315 1.00 0.00 N ATOM 596 CA LEU A 43 -7.881 3.714 -10.142 1.00 0.00 C ATOM 597 C LEU A 43 -6.745 3.834 -9.131 1.00 0.00 C ATOM 598 O LEU A 43 -6.543 4.891 -8.531 1.00 0.00 O ATOM 599 CB LEU A 43 -9.092 3.044 -9.489 1.00 0.00 C ATOM 600 CG LEU A 43 -10.459 3.439 -10.047 1.00 0.00 C ATOM 601 CD1 LEU A 43 -11.545 2.529 -9.494 1.00 0.00 C ATOM 602 CD2 LEU A 43 -10.766 4.894 -9.724 1.00 0.00 C ATOM 0 H LEU A 43 -8.087 2.201 -11.580 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.160 4.716 -10.468 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.981 1.964 -9.586 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.077 3.272 -8.423 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.434 3.325 -11.131 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.511 2.826 -9.902 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.333 1.497 -9.775 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.570 2.611 -8.407 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.743 5.158 -10.129 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.771 5.033 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.004 5.534 -10.169 1.00 0.00 H new ATOM 614 N CYS A 44 -6.006 2.746 -8.948 1.00 0.00 N ATOM 615 CA CYS A 44 -4.889 2.728 -8.011 1.00 0.00 C ATOM 616 C CYS A 44 -3.898 3.846 -8.325 1.00 0.00 C ATOM 617 O CYS A 44 -3.307 4.439 -7.422 1.00 0.00 O ATOM 618 CB CYS A 44 -4.178 1.374 -8.057 1.00 0.00 C ATOM 619 SG CYS A 44 -4.917 0.110 -6.973 1.00 0.00 S ATOM 0 H CYS A 44 -6.160 1.864 -9.437 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.286 2.888 -7.009 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.185 1.007 -9.083 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.134 1.514 -7.775 1.00 0.00 H new ATOM 624 N LYS A 45 -3.722 4.129 -9.611 1.00 0.00 N ATOM 625 CA LYS A 45 -2.805 5.176 -10.046 1.00 0.00 C ATOM 626 C LYS A 45 -3.503 6.532 -10.076 1.00 0.00 C ATOM 627 O LYS A 45 -3.046 7.490 -9.450 1.00 0.00 O ATOM 628 CB LYS A 45 -2.245 4.848 -11.432 1.00 0.00 C ATOM 629 CG LYS A 45 -1.541 6.018 -12.096 1.00 0.00 C ATOM 630 CD LYS A 45 -0.177 6.272 -11.478 1.00 0.00 C ATOM 631 CE LYS A 45 0.604 7.318 -12.259 1.00 0.00 C ATOM 632 NZ LYS A 45 1.622 7.998 -11.412 1.00 0.00 N ATOM 0 H LYS A 45 -4.203 3.648 -10.371 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.984 5.225 -9.331 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.546 4.016 -11.345 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.060 4.513 -12.074 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.427 5.818 -13.161 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.156 6.913 -12.004 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.300 6.603 -10.447 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.389 5.341 -11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.096 6.844 -13.108 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.086 8.059 -12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.132 8.703 -11.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.150 8.472 -10.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.296 7.295 -11.047 1.00 0.00 H new ATOM 646 N LEU A 46 -4.611 6.606 -10.804 1.00 0.00 N ATOM 647 CA LEU A 46 -5.372 7.846 -10.914 1.00 0.00 C ATOM 648 C LEU A 46 -5.422 8.575 -9.575 1.00 0.00 C ATOM 649 O LEU A 46 -4.778 9.609 -9.396 1.00 0.00 O ATOM 650 CB LEU A 46 -6.793 7.553 -11.401 1.00 0.00 C ATOM 651 CG LEU A 46 -6.983 7.487 -12.917 1.00 0.00 C ATOM 652 CD1 LEU A 46 -5.954 6.559 -13.543 1.00 0.00 C ATOM 653 CD2 LEU A 46 -8.394 7.030 -13.258 1.00 0.00 C ATOM 0 H LEU A 46 -5.003 5.823 -11.327 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.871 8.488 -11.638 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.114 6.603 -10.973 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.457 8.321 -11.005 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.838 8.487 -13.327 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.104 6.524 -14.622 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.952 6.929 -13.328 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.067 5.557 -13.128 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.511 6.989 -14.341 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.568 6.040 -12.836 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.115 7.733 -12.841 1.00 0.00 H new ATOM 665 N VAL A 47 -6.188 8.028 -8.637 1.00 0.00 N ATOM 666 CA VAL A 47 -6.318 8.624 -7.313 1.00 0.00 C ATOM 667 C VAL A 47 -5.662 7.751 -6.250 1.00 0.00 C ATOM 668 O VAL A 47 -5.094 8.254 -5.281 1.00 0.00 O ATOM 669 CB VAL A 47 -7.796 8.844 -6.940 1.00 0.00 C ATOM 670 CG1 VAL A 47 -8.454 9.812 -7.911 1.00 0.00 C ATOM 671 CG2 VAL A 47 -8.541 7.518 -6.909 1.00 0.00 C ATOM 0 H VAL A 47 -6.728 7.173 -8.769 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.812 9.589 -7.349 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.839 9.282 -5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.498 9.955 -7.631 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.935 10.770 -7.878 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.401 9.406 -8.921 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.584 7.693 -6.644 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.490 7.049 -7.892 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.084 6.861 -6.169 1.00 0.00 H new ATOM 681 N GLY A 48 -5.742 6.437 -6.438 1.00 0.00 N ATOM 682 CA GLY A 48 -5.151 5.513 -5.487 1.00 0.00 C ATOM 683 C GLY A 48 -3.843 6.026 -4.918 1.00 0.00 C ATOM 684 O GLY A 48 -3.142 6.807 -5.561 1.00 0.00 O ATOM 0 H GLY A 48 -6.206 5.996 -7.232 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.853 5.336 -4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.980 4.554 -5.975 1.00 0.00 H new ATOM 688 N ARG A 49 -3.515 5.587 -3.707 1.00 0.00 N ATOM 689 CA ARG A 49 -2.284 6.009 -3.050 1.00 0.00 C ATOM 690 C ARG A 49 -1.076 5.766 -3.950 1.00 0.00 C ATOM 691 O ARG A 49 -0.098 6.513 -3.910 1.00 0.00 O ATOM 692 CB ARG A 49 -2.105 5.262 -1.726 1.00 0.00 C ATOM 693 CG ARG A 49 -3.098 5.679 -0.653 1.00 0.00 C ATOM 694 CD ARG A 49 -3.021 4.766 0.561 1.00 0.00 C ATOM 695 NE ARG A 49 -3.928 3.627 0.448 1.00 0.00 N ATOM 696 CZ ARG A 49 -5.227 3.692 0.720 1.00 0.00 C ATOM 697 NH1 ARG A 49 -5.768 4.835 1.119 1.00 0.00 N ATOM 698 NH2 ARG A 49 -5.987 2.612 0.593 1.00 0.00 N ATOM 0 H ARG A 49 -4.084 4.940 -3.162 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.357 7.078 -2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.205 4.192 -1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.093 5.430 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.898 6.707 -0.350 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.108 5.658 -1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.999 4.405 0.679 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.264 5.335 1.458 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.543 2.733 0.144 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.187 5.667 1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.765 4.882 1.327 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.574 1.731 0.286 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.984 2.663 0.802 1.00 0.00 H new ATOM 712 N HIS A 50 -1.151 4.715 -4.761 1.00 0.00 N ATOM 713 CA HIS A 50 -0.064 4.373 -5.672 1.00 0.00 C ATOM 714 C HIS A 50 0.301 5.564 -6.553 1.00 0.00 C ATOM 715 O HIS A 50 1.401 5.628 -7.102 1.00 0.00 O ATOM 716 CB HIS A 50 -0.456 3.180 -6.543 1.00 0.00 C ATOM 717 CG HIS A 50 -0.501 1.882 -5.796 1.00 0.00 C ATOM 718 ND1 HIS A 50 0.628 1.152 -5.488 1.00 0.00 N ATOM 719 CD2 HIS A 50 -1.547 1.186 -5.293 1.00 0.00 C ATOM 720 CE1 HIS A 50 0.278 0.061 -4.830 1.00 0.00 C ATOM 721 NE2 HIS A 50 -1.037 0.058 -4.698 1.00 0.00 N ATOM 0 H HIS A 50 -1.953 4.086 -4.806 1.00 0.00 H new ATOM 0 HA HIS A 50 0.807 4.105 -5.074 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.434 3.369 -6.985 1.00 0.00 H new ATOM 0 HB3 HIS A 50 0.254 3.092 -7.365 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.589 1.465 -5.349 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.952 -0.699 -4.463 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -1.584 -0.665 -4.230 1.00 0.00 H new ATOM 729 N ARG A 51 -0.629 6.504 -6.685 1.00 0.00 N ATOM 730 CA ARG A 51 -0.406 7.691 -7.502 1.00 0.00 C ATOM 731 C ARG A 51 0.940 8.330 -7.176 1.00 0.00 C ATOM 732 O ARG A 51 1.607 8.877 -8.054 1.00 0.00 O ATOM 733 CB ARG A 51 -1.531 8.705 -7.283 1.00 0.00 C ATOM 734 CG ARG A 51 -1.543 9.309 -5.888 1.00 0.00 C ATOM 735 CD ARG A 51 -2.514 10.475 -5.795 1.00 0.00 C ATOM 736 NE ARG A 51 -2.180 11.380 -4.698 1.00 0.00 N ATOM 737 CZ ARG A 51 -2.385 11.091 -3.418 1.00 0.00 C ATOM 738 NH1 ARG A 51 -2.920 9.927 -3.075 1.00 0.00 N ATOM 739 NH2 ARG A 51 -2.054 11.966 -2.478 1.00 0.00 N ATOM 0 H ARG A 51 -1.544 6.467 -6.237 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.400 7.386 -8.548 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.434 9.506 -8.016 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.489 8.218 -7.467 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.820 8.545 -5.162 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.540 9.648 -5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.508 11.027 -6.735 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.526 10.094 -5.655 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.767 12.284 -4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.175 9.251 -3.795 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.076 9.708 -2.091 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.642 12.862 -2.738 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.212 11.743 -1.495 1.00 0.00 H new ATOM 753 N ASP A 52 1.333 8.256 -5.909 1.00 0.00 N ATOM 754 CA ASP A 52 2.600 8.826 -5.467 1.00 0.00 C ATOM 755 C ASP A 52 3.765 7.914 -5.837 1.00 0.00 C ATOM 756 O ASP A 52 4.810 8.379 -6.294 1.00 0.00 O ATOM 757 CB ASP A 52 2.579 9.059 -3.955 1.00 0.00 C ATOM 758 CG ASP A 52 3.488 10.196 -3.532 1.00 0.00 C ATOM 759 OD1 ASP A 52 3.514 11.229 -4.234 1.00 0.00 O ATOM 760 OD2 ASP A 52 4.174 10.054 -2.498 1.00 0.00 O ATOM 0 H ASP A 52 0.792 7.807 -5.170 1.00 0.00 H new ATOM 0 HA ASP A 52 2.736 9.782 -5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.559 9.276 -3.638 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.884 8.145 -3.445 1.00 0.00 H new ATOM 765 N HIS A 53 3.579 6.614 -5.636 1.00 0.00 N ATOM 766 CA HIS A 53 4.616 5.636 -5.949 1.00 0.00 C ATOM 767 C HIS A 53 4.996 5.700 -7.425 1.00 0.00 C ATOM 768 O HIS A 53 4.514 6.560 -8.162 1.00 0.00 O ATOM 769 CB HIS A 53 4.141 4.227 -5.593 1.00 0.00 C ATOM 770 CG HIS A 53 3.528 4.127 -4.230 1.00 0.00 C ATOM 771 ND1 HIS A 53 2.672 3.111 -3.862 1.00 0.00 N ATOM 772 CD2 HIS A 53 3.653 4.924 -3.143 1.00 0.00 C ATOM 773 CE1 HIS A 53 2.296 3.288 -2.608 1.00 0.00 C ATOM 774 NE2 HIS A 53 2.877 4.381 -2.148 1.00 0.00 N ATOM 0 H HIS A 53 2.721 6.213 -5.258 1.00 0.00 H new ATOM 0 HA HIS A 53 5.498 5.875 -5.355 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.412 3.900 -6.335 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.986 3.542 -5.653 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.252 5.820 -3.071 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.627 2.647 -2.053 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.767 4.760 -1.207 1.00 0.00 H new ATOM 782 N GLN A 54 5.862 4.785 -7.848 1.00 0.00 N ATOM 783 CA GLN A 54 6.307 4.740 -9.236 1.00 0.00 C ATOM 784 C GLN A 54 5.792 3.484 -9.932 1.00 0.00 C ATOM 785 O GLN A 54 6.273 2.379 -9.679 1.00 0.00 O ATOM 786 CB GLN A 54 7.834 4.786 -9.306 1.00 0.00 C ATOM 787 CG GLN A 54 8.385 4.582 -10.708 1.00 0.00 C ATOM 788 CD GLN A 54 9.784 3.996 -10.705 1.00 0.00 C ATOM 789 OE1 GLN A 54 9.971 2.807 -10.445 1.00 0.00 O ATOM 790 NE2 GLN A 54 10.776 4.830 -10.996 1.00 0.00 N ATOM 0 H GLN A 54 6.269 4.066 -7.250 1.00 0.00 H new ATOM 0 HA GLN A 54 5.901 5.611 -9.750 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.178 5.748 -8.926 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.243 4.019 -8.649 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.719 3.921 -11.263 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.396 5.537 -11.233 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.575 5.808 -11.205 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.738 4.493 -11.010 1.00 0.00 H new ATOM 799 N VAL A 55 4.810 3.660 -10.810 1.00 0.00 N ATOM 800 CA VAL A 55 4.230 2.541 -11.544 1.00 0.00 C ATOM 801 C VAL A 55 4.883 2.383 -12.912 1.00 0.00 C ATOM 802 O VAL A 55 5.319 3.361 -13.520 1.00 0.00 O ATOM 803 CB VAL A 55 2.711 2.719 -11.730 1.00 0.00 C ATOM 804 CG1 VAL A 55 2.027 2.909 -10.384 1.00 0.00 C ATOM 805 CG2 VAL A 55 2.422 3.891 -12.655 1.00 0.00 C ATOM 0 H VAL A 55 4.399 4.567 -11.031 1.00 0.00 H new ATOM 0 HA VAL A 55 4.414 1.645 -10.951 1.00 0.00 H new ATOM 0 HB VAL A 55 2.310 1.816 -12.190 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.955 3.033 -10.535 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.206 2.035 -9.758 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.429 3.795 -9.893 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.344 4.002 -12.775 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.835 4.804 -12.226 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.879 3.708 -13.628 1.00 0.00 H new ATOM 815 N ALA A 56 4.948 1.145 -13.391 1.00 0.00 N ATOM 816 CA ALA A 56 5.546 0.859 -14.690 1.00 0.00 C ATOM 817 C ALA A 56 4.568 0.115 -15.592 1.00 0.00 C ATOM 818 O ALA A 56 4.346 -1.085 -15.428 1.00 0.00 O ATOM 819 CB ALA A 56 6.824 0.053 -14.515 1.00 0.00 C ATOM 0 H ALA A 56 4.594 0.324 -12.899 1.00 0.00 H new ATOM 0 HA ALA A 56 5.790 1.808 -15.168 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.260 -0.154 -15.492 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.533 0.622 -13.914 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.595 -0.887 -14.013 1.00 0.00 H new ATOM 825 N SER A 57 3.985 0.834 -16.546 1.00 0.00 N ATOM 826 CA SER A 57 3.027 0.242 -17.472 1.00 0.00 C ATOM 827 C SER A 57 3.522 -1.111 -17.974 1.00 0.00 C ATOM 828 O SER A 57 4.724 -1.376 -17.997 1.00 0.00 O ATOM 829 CB SER A 57 2.783 1.180 -18.656 1.00 0.00 C ATOM 830 OG SER A 57 2.052 2.326 -18.256 1.00 0.00 O ATOM 0 H SER A 57 4.159 1.827 -16.698 1.00 0.00 H new ATOM 0 HA SER A 57 2.089 0.091 -16.938 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.737 1.485 -19.085 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.237 0.651 -19.437 1.00 0.00 H new ATOM 0 HG SER A 57 1.911 2.910 -19.030 1.00 0.00 H new ATOM 836 N LEU A 58 2.586 -1.964 -18.377 1.00 0.00 N ATOM 837 CA LEU A 58 2.925 -3.290 -18.880 1.00 0.00 C ATOM 838 C LEU A 58 2.724 -3.368 -20.390 1.00 0.00 C ATOM 839 O LEU A 58 2.171 -4.340 -20.903 1.00 0.00 O ATOM 840 CB LEU A 58 2.073 -4.354 -18.185 1.00 0.00 C ATOM 841 CG LEU A 58 2.110 -4.351 -16.657 1.00 0.00 C ATOM 842 CD1 LEU A 58 0.864 -5.015 -16.091 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.364 -5.049 -16.152 1.00 0.00 C ATOM 0 H LEU A 58 1.587 -1.760 -18.365 1.00 0.00 H new ATOM 0 HA LEU A 58 3.977 -3.476 -18.662 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.038 -4.227 -18.504 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.396 -5.335 -18.534 1.00 0.00 H new ATOM 0 HG LEU A 58 2.132 -3.316 -16.316 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.908 -5.003 -15.002 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.021 -4.472 -16.424 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.810 -6.046 -16.441 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.373 -5.037 -15.062 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.373 -6.081 -16.504 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.246 -4.530 -16.528 1.00 0.00 H new ATOM 855 N ASN A 59 3.179 -2.338 -21.096 1.00 0.00 N ATOM 856 CA ASN A 59 3.051 -2.291 -22.548 1.00 0.00 C ATOM 857 C ASN A 59 1.594 -2.449 -22.971 1.00 0.00 C ATOM 858 O ASN A 59 1.279 -3.228 -23.872 1.00 0.00 O ATOM 859 CB ASN A 59 3.903 -3.386 -23.192 1.00 0.00 C ATOM 860 CG ASN A 59 4.384 -3.004 -24.579 1.00 0.00 C ATOM 861 OD1 ASN A 59 3.614 -2.506 -25.400 1.00 0.00 O ATOM 862 ND2 ASN A 59 5.664 -3.237 -24.846 1.00 0.00 N ATOM 0 H ASN A 59 3.639 -1.525 -20.686 1.00 0.00 H new ATOM 0 HA ASN A 59 3.406 -1.318 -22.888 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.764 -3.594 -22.556 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.322 -4.306 -23.253 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.045 -3.001 -25.762 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.266 -3.652 -24.135 1.00 0.00 H new ATOM 869 N ASP A 60 0.709 -1.707 -22.315 1.00 0.00 N ATOM 870 CA ASP A 60 -0.715 -1.763 -22.624 1.00 0.00 C ATOM 871 C ASP A 60 -1.046 -0.884 -23.826 1.00 0.00 C ATOM 872 O ASP A 60 -0.227 -0.074 -24.259 1.00 0.00 O ATOM 873 CB ASP A 60 -1.539 -1.323 -21.413 1.00 0.00 C ATOM 874 CG ASP A 60 -1.327 -2.223 -20.211 1.00 0.00 C ATOM 875 OD1 ASP A 60 -1.879 -3.343 -20.202 1.00 0.00 O ATOM 876 OD2 ASP A 60 -0.607 -1.807 -19.279 1.00 0.00 O ATOM 0 H ASP A 60 0.953 -1.059 -21.566 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.967 -2.794 -22.871 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.273 -0.300 -21.148 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.596 -1.319 -21.678 1.00 0.00 H new ATOM 881 N ARG A 61 -2.251 -1.050 -24.360 1.00 0.00 N ATOM 882 CA ARG A 61 -2.690 -0.273 -25.514 1.00 0.00 C ATOM 883 C ARG A 61 -2.616 1.223 -25.222 1.00 0.00 C ATOM 884 O ARG A 61 -3.589 1.826 -24.770 1.00 0.00 O ATOM 885 CB ARG A 61 -4.119 -0.658 -25.902 1.00 0.00 C ATOM 886 CG ARG A 61 -5.104 -0.585 -24.746 1.00 0.00 C ATOM 887 CD ARG A 61 -5.265 -1.935 -24.066 1.00 0.00 C ATOM 888 NE ARG A 61 -6.617 -2.129 -23.548 1.00 0.00 N ATOM 889 CZ ARG A 61 -7.098 -3.309 -23.173 1.00 0.00 C ATOM 890 NH1 ARG A 61 -6.341 -4.395 -23.258 1.00 0.00 N ATOM 891 NH2 ARG A 61 -8.339 -3.405 -22.712 1.00 0.00 N ATOM 0 H ARG A 61 -2.941 -1.716 -24.012 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.023 -0.497 -26.346 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.460 0.001 -26.701 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.117 -1.671 -26.303 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.760 0.151 -24.019 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.072 -0.243 -25.112 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.031 -2.729 -24.776 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.548 -2.017 -23.249 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.225 -1.314 -23.470 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.387 -4.325 -23.612 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.713 -5.300 -22.969 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.924 -2.572 -22.645 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.707 -4.312 -22.424 1.00 0.00 H new ATOM 905 N PHE A 62 -1.454 1.814 -25.481 1.00 0.00 N ATOM 906 CA PHE A 62 -1.253 3.239 -25.245 1.00 0.00 C ATOM 907 C PHE A 62 -2.514 4.030 -25.581 1.00 0.00 C ATOM 908 O PHE A 62 -3.044 4.757 -24.742 1.00 0.00 O ATOM 909 CB PHE A 62 -0.077 3.754 -26.077 1.00 0.00 C ATOM 910 CG PHE A 62 0.484 5.056 -25.581 1.00 0.00 C ATOM 911 CD1 PHE A 62 -0.332 6.166 -25.432 1.00 0.00 C ATOM 912 CD2 PHE A 62 1.828 5.170 -25.263 1.00 0.00 C ATOM 913 CE1 PHE A 62 0.181 7.365 -24.975 1.00 0.00 C ATOM 914 CE2 PHE A 62 2.347 6.367 -24.805 1.00 0.00 C ATOM 915 CZ PHE A 62 1.523 7.466 -24.663 1.00 0.00 C ATOM 0 H PHE A 62 -0.638 1.329 -25.854 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.030 3.379 -24.187 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.714 3.004 -26.077 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.400 3.877 -27.111 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.382 6.093 -25.676 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.477 4.314 -25.374 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.466 8.222 -24.862 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.396 6.442 -24.559 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.927 8.403 -24.309 1.00 0.00 H new ATOM 925 N GLU A 63 -2.987 3.882 -26.814 1.00 0.00 N ATOM 926 CA GLU A 63 -4.184 4.583 -27.262 1.00 0.00 C ATOM 927 C GLU A 63 -4.599 4.118 -28.655 1.00 0.00 C ATOM 928 O GLU A 63 -3.793 4.108 -29.585 1.00 0.00 O ATOM 929 CB GLU A 63 -3.944 6.095 -27.268 1.00 0.00 C ATOM 930 CG GLU A 63 -5.210 6.912 -27.072 1.00 0.00 C ATOM 931 CD GLU A 63 -4.921 8.364 -26.743 1.00 0.00 C ATOM 932 OE1 GLU A 63 -4.255 9.037 -27.558 1.00 0.00 O ATOM 933 OE2 GLU A 63 -5.363 8.828 -25.671 1.00 0.00 O ATOM 0 H GLU A 63 -2.560 3.283 -27.520 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.990 4.352 -26.566 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.234 6.345 -26.479 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.482 6.377 -28.214 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.814 6.862 -27.978 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.802 6.472 -26.269 1.00 0.00 H new ATOM 940 N LYS A 64 -5.863 3.731 -28.791 1.00 0.00 N ATOM 941 CA LYS A 64 -6.388 3.265 -30.068 1.00 0.00 C ATOM 942 C LYS A 64 -5.375 2.372 -30.779 1.00 0.00 C ATOM 943 O LYS A 64 -5.129 2.526 -31.976 1.00 0.00 O ATOM 944 CB LYS A 64 -6.749 4.455 -30.960 1.00 0.00 C ATOM 945 CG LYS A 64 -7.976 5.217 -30.490 1.00 0.00 C ATOM 946 CD LYS A 64 -7.901 6.686 -30.873 1.00 0.00 C ATOM 947 CE LYS A 64 -9.277 7.333 -30.871 1.00 0.00 C ATOM 948 NZ LYS A 64 -9.750 7.626 -29.489 1.00 0.00 N ATOM 0 H LYS A 64 -6.543 3.731 -28.031 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.287 2.681 -29.871 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.901 5.138 -31.001 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.920 4.098 -31.976 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.871 4.772 -30.925 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.069 5.127 -29.408 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.249 7.212 -30.175 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.454 6.783 -31.862 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.244 8.258 -31.447 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.989 6.673 -31.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.691 8.066 -29.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.805 6.741 -28.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.084 8.276 -29.025 1.00 0.00 H new ATOM 962 N LEU A 65 -4.792 1.439 -30.036 1.00 0.00 N ATOM 963 CA LEU A 65 -3.807 0.520 -30.595 1.00 0.00 C ATOM 964 C LEU A 65 -4.390 -0.882 -30.740 1.00 0.00 C ATOM 965 O LEU A 65 -4.446 -1.433 -31.839 1.00 0.00 O ATOM 966 CB LEU A 65 -2.560 0.477 -29.710 1.00 0.00 C ATOM 967 CG LEU A 65 -1.242 0.173 -30.423 1.00 0.00 C ATOM 968 CD1 LEU A 65 -0.074 0.801 -29.677 1.00 0.00 C ATOM 969 CD2 LEU A 65 -1.043 -1.330 -30.560 1.00 0.00 C ATOM 0 H LEU A 65 -4.984 1.298 -29.044 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.530 0.882 -31.585 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.464 1.438 -29.205 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.714 -0.275 -28.936 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.284 0.606 -31.422 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.855 0.574 -30.199 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.210 1.882 -29.631 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.030 0.398 -28.665 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.100 -1.527 -31.070 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.023 -1.786 -29.570 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.864 -1.754 -31.138 1.00 0.00 H new ATOM 981 N LYS A 66 -4.826 -1.454 -29.622 1.00 0.00 N ATOM 982 CA LYS A 66 -5.409 -2.790 -29.623 1.00 0.00 C ATOM 983 C LYS A 66 -6.884 -2.740 -30.008 1.00 0.00 C ATOM 984 O LYS A 66 -7.737 -2.395 -29.190 1.00 0.00 O ATOM 985 CB LYS A 66 -5.253 -3.438 -28.246 1.00 0.00 C ATOM 986 CG LYS A 66 -3.891 -4.074 -28.024 1.00 0.00 C ATOM 987 CD LYS A 66 -3.898 -5.000 -26.819 1.00 0.00 C ATOM 988 CE LYS A 66 -2.509 -5.137 -26.214 1.00 0.00 C ATOM 989 NZ LYS A 66 -2.458 -6.207 -25.179 1.00 0.00 N ATOM 0 H LYS A 66 -4.786 -1.012 -28.703 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.878 -3.390 -30.363 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.422 -2.684 -27.477 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.024 -4.198 -28.122 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.601 -4.634 -28.913 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.143 -3.294 -27.880 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.587 -4.616 -26.067 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.265 -5.982 -27.116 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.790 -5.360 -27.002 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.211 -4.187 -25.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.495 -6.269 -24.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.126 -5.982 -24.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.717 -7.118 -25.608 1.00 0.00 H new ATOM 1003 N GLN A 67 -7.177 -3.087 -31.257 1.00 0.00 N ATOM 1004 CA GLN A 67 -8.550 -3.082 -31.749 1.00 0.00 C ATOM 1005 C GLN A 67 -8.950 -4.462 -32.261 1.00 0.00 C ATOM 1006 O GLN A 67 -8.255 -5.056 -33.086 1.00 0.00 O ATOM 1007 CB GLN A 67 -8.711 -2.046 -32.862 1.00 0.00 C ATOM 1008 CG GLN A 67 -8.389 -0.627 -32.424 1.00 0.00 C ATOM 1009 CD GLN A 67 -9.548 0.042 -31.712 1.00 0.00 C ATOM 1010 OE1 GLN A 67 -9.882 -0.308 -30.580 1.00 0.00 O ATOM 1011 NE2 GLN A 67 -10.169 1.011 -32.374 1.00 0.00 N ATOM 0 H GLN A 67 -6.483 -3.375 -31.946 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.206 -2.818 -30.919 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.062 -2.316 -33.695 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.736 -2.079 -33.232 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.522 -0.643 -31.763 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.114 -0.035 -33.297 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.859 1.269 -33.311 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.957 1.498 -31.946 1.00 0.00 H new ATOM 1020 N THR A 68 -10.075 -4.969 -31.766 1.00 0.00 N ATOM 1021 CA THR A 68 -10.567 -6.279 -32.172 1.00 0.00 C ATOM 1022 C THR A 68 -12.038 -6.451 -31.809 1.00 0.00 C ATOM 1023 O THR A 68 -12.543 -5.799 -30.894 1.00 0.00 O ATOM 1024 CB THR A 68 -9.753 -7.412 -31.518 1.00 0.00 C ATOM 1025 OG1 THR A 68 -10.232 -8.683 -31.971 1.00 0.00 O ATOM 1026 CG2 THR A 68 -9.847 -7.340 -30.001 1.00 0.00 C ATOM 0 H THR A 68 -10.663 -4.491 -31.083 1.00 0.00 H new ATOM 0 HA THR A 68 -10.453 -6.338 -33.254 1.00 0.00 H new ATOM 0 HB THR A 68 -8.709 -7.293 -31.807 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.709 -9.398 -31.552 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.265 -8.150 -29.562 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.455 -6.383 -29.657 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.889 -7.436 -29.696 1.00 0.00 H new ATOM 1034 N LEU A 69 -12.721 -7.332 -32.531 1.00 0.00 N ATOM 1035 CA LEU A 69 -14.136 -7.590 -32.285 1.00 0.00 C ATOM 1036 C LEU A 69 -14.388 -7.877 -30.808 1.00 0.00 C ATOM 1037 O LEU A 69 -13.450 -7.977 -30.017 1.00 0.00 O ATOM 1038 CB LEU A 69 -14.614 -8.769 -33.134 1.00 0.00 C ATOM 1039 CG LEU A 69 -15.081 -8.431 -34.550 1.00 0.00 C ATOM 1040 CD1 LEU A 69 -13.909 -8.456 -35.519 1.00 0.00 C ATOM 1041 CD2 LEU A 69 -16.167 -9.398 -34.999 1.00 0.00 C ATOM 0 H LEU A 69 -12.318 -7.880 -33.291 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.697 -6.698 -32.564 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.802 -9.493 -33.204 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.434 -9.259 -32.610 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.499 -7.424 -34.543 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.261 -8.213 -36.522 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.164 -7.723 -35.208 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.461 -9.450 -35.523 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.487 -9.142 -36.009 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.775 -10.415 -34.989 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.018 -9.330 -34.321 1.00 0.00 H new ATOM 1053 N GLU A 70 -15.660 -8.009 -30.445 1.00 0.00 N ATOM 1054 CA GLU A 70 -16.034 -8.286 -29.063 1.00 0.00 C ATOM 1055 C GLU A 70 -17.125 -9.350 -28.997 1.00 0.00 C ATOM 1056 O GLU A 70 -17.918 -9.499 -29.927 1.00 0.00 O ATOM 1057 CB GLU A 70 -16.513 -7.006 -28.375 1.00 0.00 C ATOM 1058 CG GLU A 70 -17.720 -6.370 -29.044 1.00 0.00 C ATOM 1059 CD GLU A 70 -18.157 -5.088 -28.362 1.00 0.00 C ATOM 1060 OE1 GLU A 70 -17.554 -4.031 -28.644 1.00 0.00 O ATOM 1061 OE2 GLU A 70 -19.101 -5.142 -27.547 1.00 0.00 O ATOM 0 H GLU A 70 -16.448 -7.929 -31.088 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.152 -8.662 -28.544 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.760 -7.232 -27.338 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.696 -6.285 -28.358 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -17.484 -6.160 -30.087 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -18.548 -7.079 -29.041 1.00 0.00 H new ATOM 1068 N MET A 71 -17.158 -10.088 -27.893 1.00 0.00 N ATOM 1069 CA MET A 71 -18.152 -11.139 -27.705 1.00 0.00 C ATOM 1070 C MET A 71 -19.280 -10.663 -26.795 1.00 0.00 C ATOM 1071 O MET A 71 -19.193 -9.597 -26.188 1.00 0.00 O ATOM 1072 CB MET A 71 -17.499 -12.390 -27.116 1.00 0.00 C ATOM 1073 CG MET A 71 -16.568 -13.102 -28.084 1.00 0.00 C ATOM 1074 SD MET A 71 -14.896 -12.425 -28.065 1.00 0.00 S ATOM 1075 CE MET A 71 -14.212 -13.252 -26.631 1.00 0.00 C ATOM 0 H MET A 71 -16.508 -9.978 -27.115 1.00 0.00 H new ATOM 0 HA MET A 71 -18.574 -11.384 -28.680 1.00 0.00 H new ATOM 0 HB2 MET A 71 -16.938 -12.111 -26.224 1.00 0.00 H new ATOM 0 HB3 MET A 71 -18.279 -13.082 -26.799 1.00 0.00 H new ATOM 0 HG2 MET A 71 -16.530 -14.162 -27.832 1.00 0.00 H new ATOM 0 HG3 MET A 71 -16.974 -13.029 -29.093 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.179 -12.936 -26.487 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.797 -12.993 -25.748 1.00 0.00 H new ATOM 0 HE3 MET A 71 -14.243 -14.331 -26.784 1.00 0.00 H new ATOM 1085 N ASN A 72 -20.339 -11.462 -26.706 1.00 0.00 N ATOM 1086 CA ASN A 72 -21.485 -11.122 -25.870 1.00 0.00 C ATOM 1087 C ASN A 72 -21.030 -10.607 -24.508 1.00 0.00 C ATOM 1088 O ASN A 72 -19.925 -10.907 -24.055 1.00 0.00 O ATOM 1089 CB ASN A 72 -22.392 -12.341 -25.691 1.00 0.00 C ATOM 1090 CG ASN A 72 -23.775 -11.965 -25.196 1.00 0.00 C ATOM 1091 OD1 ASN A 72 -24.330 -10.939 -25.590 1.00 0.00 O ATOM 1092 ND2 ASN A 72 -24.338 -12.796 -24.327 1.00 0.00 N ATOM 0 H ASN A 72 -20.427 -12.349 -27.202 1.00 0.00 H new ATOM 0 HA ASN A 72 -22.046 -10.331 -26.369 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -22.480 -12.868 -26.641 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -21.932 -13.032 -24.985 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -25.268 -12.595 -23.958 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -23.841 -13.635 -24.028 1.00 0.00 H new ATOM 1099 N LEU A 73 -21.890 -9.830 -23.858 1.00 0.00 N ATOM 1100 CA LEU A 73 -21.578 -9.273 -22.547 1.00 0.00 C ATOM 1101 C LEU A 73 -22.410 -9.944 -21.458 1.00 0.00 C ATOM 1102 O LEU A 73 -21.878 -10.395 -20.443 1.00 0.00 O ATOM 1103 CB LEU A 73 -21.830 -7.764 -22.538 1.00 0.00 C ATOM 1104 CG LEU A 73 -20.645 -6.884 -22.939 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -19.448 -7.159 -22.041 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -20.282 -7.111 -24.399 1.00 0.00 C ATOM 0 H LEU A 73 -22.809 -9.572 -24.218 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.524 -9.461 -22.342 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -22.660 -7.550 -23.211 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -22.149 -7.475 -21.537 1.00 0.00 H new ATOM 0 HG LEU A 73 -20.934 -5.840 -22.815 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.614 -6.524 -22.341 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -19.713 -6.945 -21.006 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -19.158 -8.206 -22.132 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -19.437 -6.477 -24.667 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.013 -8.157 -24.549 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -21.136 -6.863 -25.029 1.00 0.00 H new ATOM 1118 N THR A 74 -23.720 -10.010 -21.677 1.00 0.00 N ATOM 1119 CA THR A 74 -24.625 -10.627 -20.716 1.00 0.00 C ATOM 1120 C THR A 74 -23.961 -11.804 -20.012 1.00 0.00 C ATOM 1121 O THR A 74 -23.820 -12.883 -20.586 1.00 0.00 O ATOM 1122 CB THR A 74 -25.919 -11.113 -21.396 1.00 0.00 C ATOM 1123 OG1 THR A 74 -26.594 -10.010 -22.012 1.00 0.00 O ATOM 1124 CG2 THR A 74 -26.843 -11.780 -20.388 1.00 0.00 C ATOM 0 H THR A 74 -24.177 -9.643 -22.512 1.00 0.00 H new ATOM 0 HA THR A 74 -24.875 -9.862 -19.981 1.00 0.00 H new ATOM 0 HB THR A 74 -25.649 -11.845 -22.158 1.00 0.00 H new ATOM 0 HG1 THR A 74 -27.414 -10.328 -22.443 1.00 0.00 H new ATOM 0 HG21 THR A 74 -27.750 -12.115 -20.892 1.00 0.00 H new ATOM 0 HG22 THR A 74 -26.338 -12.637 -19.943 1.00 0.00 H new ATOM 0 HG23 THR A 74 -27.104 -11.067 -19.606 1.00 0.00 H new ATOM 1132 N ASN A 75 -23.554 -11.590 -18.765 1.00 0.00 N ATOM 1133 CA ASN A 75 -22.904 -12.635 -17.983 1.00 0.00 C ATOM 1134 C ASN A 75 -23.790 -13.075 -16.821 1.00 0.00 C ATOM 1135 O ASN A 75 -24.341 -12.244 -16.097 1.00 0.00 O ATOM 1136 CB ASN A 75 -21.557 -12.140 -17.453 1.00 0.00 C ATOM 1137 CG ASN A 75 -20.590 -13.277 -17.181 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -20.903 -14.208 -16.438 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -19.409 -13.206 -17.783 1.00 0.00 N ATOM 0 H ASN A 75 -23.663 -10.702 -18.275 1.00 0.00 H new ATOM 0 HA ASN A 75 -22.738 -13.493 -18.635 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -21.114 -11.455 -18.176 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -21.716 -11.575 -16.535 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -18.718 -13.942 -17.638 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -19.193 -12.416 -18.390 1.00 0.00 H new ATOM 1146 N LEU A 76 -23.921 -14.385 -16.648 1.00 0.00 N ATOM 1147 CA LEU A 76 -24.739 -14.937 -15.573 1.00 0.00 C ATOM 1148 C LEU A 76 -23.975 -14.938 -14.253 1.00 0.00 C ATOM 1149 O LEU A 76 -22.750 -15.056 -14.233 1.00 0.00 O ATOM 1150 CB LEU A 76 -25.181 -16.359 -15.921 1.00 0.00 C ATOM 1151 CG LEU A 76 -26.420 -16.479 -16.809 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -26.034 -16.384 -18.278 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -27.151 -17.784 -16.532 1.00 0.00 C ATOM 0 H LEU A 76 -23.472 -15.085 -17.238 1.00 0.00 H new ATOM 0 HA LEU A 76 -25.621 -14.306 -15.460 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -24.353 -16.864 -16.418 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -25.371 -16.896 -14.992 1.00 0.00 H new ATOM 0 HG LEU A 76 -27.092 -15.653 -16.576 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -26.928 -16.471 -18.895 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -25.555 -15.423 -18.467 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -25.342 -17.189 -18.525 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -28.030 -17.852 -17.173 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -26.487 -18.624 -16.737 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -27.461 -17.813 -15.487 1.00 0.00 H new ATOM 1165 N VAL A 77 -24.707 -14.807 -13.151 1.00 0.00 N ATOM 1166 CA VAL A 77 -24.099 -14.797 -11.826 1.00 0.00 C ATOM 1167 C VAL A 77 -23.724 -16.206 -11.382 1.00 0.00 C ATOM 1168 O VAL A 77 -24.440 -17.168 -11.661 1.00 0.00 O ATOM 1169 CB VAL A 77 -25.044 -14.175 -10.780 1.00 0.00 C ATOM 1170 CG1 VAL A 77 -26.353 -14.946 -10.718 1.00 0.00 C ATOM 1171 CG2 VAL A 77 -24.374 -14.134 -9.415 1.00 0.00 C ATOM 0 H VAL A 77 -25.722 -14.706 -13.150 1.00 0.00 H new ATOM 0 HA VAL A 77 -23.196 -14.190 -11.897 1.00 0.00 H new ATOM 0 HB VAL A 77 -25.267 -13.151 -11.080 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -27.008 -14.492 -9.974 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -26.838 -14.918 -11.694 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -26.153 -15.981 -10.442 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -25.055 -13.692 -8.688 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -24.120 -15.147 -9.104 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -23.466 -13.534 -9.473 1.00 0.00 H new ATOM 1181 N LYS A 78 -22.597 -16.321 -10.687 1.00 0.00 N ATOM 1182 CA LYS A 78 -22.126 -17.613 -10.202 1.00 0.00 C ATOM 1183 C LYS A 78 -21.230 -17.441 -8.980 1.00 0.00 C ATOM 1184 O LYS A 78 -20.206 -16.760 -9.040 1.00 0.00 O ATOM 1185 CB LYS A 78 -21.365 -18.349 -11.306 1.00 0.00 C ATOM 1186 CG LYS A 78 -21.314 -19.855 -11.110 1.00 0.00 C ATOM 1187 CD LYS A 78 -20.494 -20.531 -12.196 1.00 0.00 C ATOM 1188 CE LYS A 78 -21.354 -20.897 -13.396 1.00 0.00 C ATOM 1189 NZ LYS A 78 -20.543 -21.036 -14.638 1.00 0.00 N ATOM 0 H LYS A 78 -21.993 -15.535 -10.447 1.00 0.00 H new ATOM 0 HA LYS A 78 -22.995 -18.204 -9.913 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -21.834 -18.132 -12.266 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -20.347 -17.963 -11.354 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -20.884 -20.082 -10.134 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.327 -20.258 -11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -19.689 -19.867 -12.512 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -20.026 -21.430 -11.794 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -21.876 -21.833 -13.197 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -22.116 -20.132 -13.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -21.165 -21.286 -15.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -20.064 -20.136 -14.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -19.832 -21.784 -14.507 1.00 0.00 H new ATOM 1203 N SER A 79 -21.621 -18.063 -7.872 1.00 0.00 N ATOM 1204 CA SER A 79 -20.854 -17.976 -6.635 1.00 0.00 C ATOM 1205 C SER A 79 -20.272 -19.335 -6.260 1.00 0.00 C ATOM 1206 O SER A 79 -21.003 -20.308 -6.078 1.00 0.00 O ATOM 1207 CB SER A 79 -21.736 -17.455 -5.498 1.00 0.00 C ATOM 1208 OG SER A 79 -22.236 -16.162 -5.792 1.00 0.00 O ATOM 0 H SER A 79 -22.465 -18.633 -7.806 1.00 0.00 H new ATOM 0 HA SER A 79 -20.031 -17.279 -6.795 1.00 0.00 H new ATOM 0 HB2 SER A 79 -22.567 -18.141 -5.335 1.00 0.00 H new ATOM 0 HB3 SER A 79 -21.161 -17.424 -4.572 1.00 0.00 H new ATOM 0 HG SER A 79 -22.798 -15.852 -5.051 1.00 0.00 H new ATOM 1214 N GLY A 80 -18.948 -19.395 -6.146 1.00 0.00 N ATOM 1215 CA GLY A 80 -18.289 -20.638 -5.794 1.00 0.00 C ATOM 1216 C GLY A 80 -16.836 -20.437 -5.411 1.00 0.00 C ATOM 1217 O GLY A 80 -16.520 -19.807 -4.401 1.00 0.00 O ATOM 0 H GLY A 80 -18.321 -18.604 -6.291 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.819 -21.104 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -18.347 -21.327 -6.636 1.00 0.00 H new ATOM 1221 N PRO A 81 -15.923 -20.981 -6.229 1.00 0.00 N ATOM 1222 CA PRO A 81 -14.481 -20.872 -5.990 1.00 0.00 C ATOM 1223 C PRO A 81 -13.965 -19.452 -6.199 1.00 0.00 C ATOM 1224 O PRO A 81 -13.517 -19.098 -7.289 1.00 0.00 O ATOM 1225 CB PRO A 81 -13.877 -21.819 -7.029 1.00 0.00 C ATOM 1226 CG PRO A 81 -14.889 -21.880 -8.120 1.00 0.00 C ATOM 1227 CD PRO A 81 -16.229 -21.745 -7.450 1.00 0.00 C ATOM 0 HA PRO A 81 -14.218 -21.122 -4.962 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.921 -21.446 -7.396 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -13.692 -22.806 -6.605 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.732 -21.080 -8.843 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.818 -22.821 -8.666 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -16.944 -21.221 -8.084 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -16.662 -22.718 -7.218 1.00 0.00 H new ATOM 1235 N SER A 82 -14.030 -18.643 -5.146 1.00 0.00 N ATOM 1236 CA SER A 82 -13.572 -17.260 -5.216 1.00 0.00 C ATOM 1237 C SER A 82 -12.220 -17.170 -5.917 1.00 0.00 C ATOM 1238 O SER A 82 -12.062 -16.434 -6.891 1.00 0.00 O ATOM 1239 CB SER A 82 -13.471 -16.663 -3.811 1.00 0.00 C ATOM 1240 OG SER A 82 -14.728 -16.177 -3.372 1.00 0.00 O ATOM 0 H SER A 82 -14.395 -18.921 -4.235 1.00 0.00 H new ATOM 0 HA SER A 82 -14.300 -16.691 -5.794 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.107 -17.420 -3.116 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.743 -15.852 -3.809 1.00 0.00 H new ATOM 0 HG SER A 82 -14.637 -15.802 -2.471 1.00 0.00 H new ATOM 1246 N SER A 83 -11.249 -17.925 -5.414 1.00 0.00 N ATOM 1247 CA SER A 83 -9.908 -17.929 -5.989 1.00 0.00 C ATOM 1248 C SER A 83 -9.964 -18.169 -7.495 1.00 0.00 C ATOM 1249 O SER A 83 -10.995 -18.570 -8.033 1.00 0.00 O ATOM 1250 CB SER A 83 -9.047 -19.002 -5.321 1.00 0.00 C ATOM 1251 OG SER A 83 -8.689 -18.622 -4.004 1.00 0.00 O ATOM 0 H SER A 83 -11.365 -18.542 -4.610 1.00 0.00 H new ATOM 0 HA SER A 83 -9.460 -16.952 -5.811 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.592 -19.946 -5.295 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.147 -19.170 -5.912 1.00 0.00 H new ATOM 0 HG SER A 83 -8.140 -19.325 -3.598 1.00 0.00 H new ATOM 1257 N GLY A 84 -8.845 -17.921 -8.169 1.00 0.00 N ATOM 1258 CA GLY A 84 -8.786 -18.116 -9.606 1.00 0.00 C ATOM 1259 C GLY A 84 -9.569 -17.063 -10.366 1.00 0.00 C ATOM 1260 O GLY A 84 -9.060 -16.537 -11.355 1.00 0.00 O ATOM 0 H GLY A 84 -7.979 -17.589 -7.746 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.746 -18.095 -9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.177 -19.103 -9.852 1.00 0.00 H new TER 1264 GLY A 84 HETATM 1265 ZN ZN A 201 -6.918 -0.804 -7.821 1.00 0.00 ZN HETATM 1266 ZN ZN A 401 2.572 1.394 -4.735 1.00 0.00 ZN