USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 541 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 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HD1 : A 68 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0274 (180deg=0) USER MOD Single : A 2 SER OG : rot 57:sc= 1.25 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0573 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0396 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -5.34! C(o=-5.3!,f=-6.6!) USER MOD Single : A 28 ASN : amide:sc= -3.32! C(o=-3.3!,f=-3.6!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 158:sc= -4.67! (180deg=-6.12!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= -0.0402 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-0.31) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -49.113 11.333 -30.526 1.00 0.00 N ATOM 2 CA GLY A 1 -47.748 11.345 -30.033 1.00 0.00 C ATOM 3 C GLY A 1 -47.587 10.547 -28.754 1.00 0.00 C ATOM 4 O GLY A 1 -48.511 10.466 -27.944 1.00 0.00 O ATOM 0 H1 GLY A 1 -49.166 10.753 -31.388 1.00 0.00 H new ATOM 0 H2 GLY A 1 -49.741 10.932 -29.800 1.00 0.00 H new ATOM 0 H3 GLY A 1 -49.412 12.305 -30.744 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -47.085 10.939 -30.797 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -47.438 12.375 -29.857 1.00 0.00 H new ATOM 8 N SER A 2 -46.412 9.954 -28.571 1.00 0.00 N ATOM 9 CA SER A 2 -46.135 9.154 -27.384 1.00 0.00 C ATOM 10 C SER A 2 -44.656 8.785 -27.311 1.00 0.00 C ATOM 11 O SER A 2 -43.929 8.890 -28.298 1.00 0.00 O ATOM 12 CB SER A 2 -46.989 7.885 -27.388 1.00 0.00 C ATOM 13 OG SER A 2 -48.258 8.122 -26.803 1.00 0.00 O ATOM 0 H SER A 2 -45.636 10.013 -29.230 1.00 0.00 H new ATOM 0 HA SER A 2 -46.387 9.750 -26.507 1.00 0.00 H new ATOM 0 HB2 SER A 2 -47.117 7.532 -28.411 1.00 0.00 H new ATOM 0 HB3 SER A 2 -46.475 7.095 -26.841 1.00 0.00 H new ATOM 0 HG SER A 2 -48.704 8.856 -27.275 1.00 0.00 H new ATOM 19 N SER A 3 -44.219 8.352 -26.132 1.00 0.00 N ATOM 20 CA SER A 3 -42.827 7.971 -25.927 1.00 0.00 C ATOM 21 C SER A 3 -42.639 7.316 -24.562 1.00 0.00 C ATOM 22 O SER A 3 -43.569 7.249 -23.759 1.00 0.00 O ATOM 23 CB SER A 3 -41.917 9.195 -26.048 1.00 0.00 C ATOM 24 OG SER A 3 -40.608 8.821 -26.440 1.00 0.00 O ATOM 0 H SER A 3 -44.809 8.257 -25.305 1.00 0.00 H new ATOM 0 HA SER A 3 -42.556 7.249 -26.698 1.00 0.00 H new ATOM 0 HB2 SER A 3 -42.333 9.891 -26.777 1.00 0.00 H new ATOM 0 HB3 SER A 3 -41.878 9.719 -25.093 1.00 0.00 H new ATOM 0 HG SER A 3 -40.047 9.621 -26.512 1.00 0.00 H new ATOM 30 N GLY A 4 -41.426 6.834 -24.306 1.00 0.00 N ATOM 31 CA GLY A 4 -41.137 6.190 -23.037 1.00 0.00 C ATOM 32 C GLY A 4 -39.683 5.779 -22.915 1.00 0.00 C ATOM 33 O GLY A 4 -38.956 5.738 -23.908 1.00 0.00 O ATOM 0 H GLY A 4 -40.639 6.878 -24.954 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -41.389 6.869 -22.222 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -41.771 5.310 -22.927 1.00 0.00 H new ATOM 37 N SER A 5 -39.256 5.475 -21.693 1.00 0.00 N ATOM 38 CA SER A 5 -37.878 5.071 -21.443 1.00 0.00 C ATOM 39 C SER A 5 -37.789 4.176 -20.210 1.00 0.00 C ATOM 40 O SER A 5 -38.526 4.361 -19.242 1.00 0.00 O ATOM 41 CB SER A 5 -36.988 6.301 -21.259 1.00 0.00 C ATOM 42 OG SER A 5 -37.024 7.133 -22.406 1.00 0.00 O ATOM 0 H SER A 5 -39.845 5.501 -20.861 1.00 0.00 H new ATOM 0 HA SER A 5 -37.529 4.506 -22.307 1.00 0.00 H new ATOM 0 HB2 SER A 5 -37.318 6.865 -20.386 1.00 0.00 H new ATOM 0 HB3 SER A 5 -35.962 5.986 -21.066 1.00 0.00 H new ATOM 0 HG SER A 5 -36.448 7.913 -22.263 1.00 0.00 H new ATOM 48 N SER A 6 -36.881 3.206 -20.254 1.00 0.00 N ATOM 49 CA SER A 6 -36.698 2.280 -19.143 1.00 0.00 C ATOM 50 C SER A 6 -35.364 1.550 -19.260 1.00 0.00 C ATOM 51 O SER A 6 -35.010 1.045 -20.325 1.00 0.00 O ATOM 52 CB SER A 6 -37.844 1.268 -19.101 1.00 0.00 C ATOM 53 OG SER A 6 -38.010 0.633 -20.357 1.00 0.00 O ATOM 0 H SER A 6 -36.261 3.041 -21.047 1.00 0.00 H new ATOM 0 HA SER A 6 -36.698 2.856 -18.218 1.00 0.00 H new ATOM 0 HB2 SER A 6 -37.644 0.519 -18.335 1.00 0.00 H new ATOM 0 HB3 SER A 6 -38.769 1.772 -18.820 1.00 0.00 H new ATOM 0 HG SER A 6 -38.747 -0.010 -20.303 1.00 0.00 H new ATOM 59 N GLY A 7 -34.626 1.498 -18.155 1.00 0.00 N ATOM 60 CA GLY A 7 -33.339 0.828 -18.153 1.00 0.00 C ATOM 61 C GLY A 7 -32.286 1.597 -17.379 1.00 0.00 C ATOM 62 O GLY A 7 -31.765 2.605 -17.858 1.00 0.00 O ATOM 0 H GLY A 7 -34.897 1.908 -17.261 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -33.451 -0.166 -17.719 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -33.002 0.691 -19.181 1.00 0.00 H new ATOM 66 N LYS A 8 -31.972 1.122 -16.179 1.00 0.00 N ATOM 67 CA LYS A 8 -30.975 1.771 -15.335 1.00 0.00 C ATOM 68 C LYS A 8 -30.173 0.739 -14.549 1.00 0.00 C ATOM 69 O LYS A 8 -30.737 -0.192 -13.973 1.00 0.00 O ATOM 70 CB LYS A 8 -31.651 2.750 -14.372 1.00 0.00 C ATOM 71 CG LYS A 8 -30.740 3.874 -13.910 1.00 0.00 C ATOM 72 CD LYS A 8 -30.807 5.068 -14.847 1.00 0.00 C ATOM 73 CE LYS A 8 -32.014 5.944 -14.548 1.00 0.00 C ATOM 74 NZ LYS A 8 -31.731 6.928 -13.467 1.00 0.00 N ATOM 0 H LYS A 8 -32.394 0.289 -15.768 1.00 0.00 H new ATOM 0 HA LYS A 8 -30.291 2.321 -15.981 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -32.526 3.180 -14.859 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -32.008 2.201 -13.500 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -31.024 4.183 -12.904 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -29.714 3.512 -13.854 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -29.895 5.658 -14.752 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -30.855 4.720 -15.879 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -32.311 6.474 -15.453 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -32.855 5.316 -14.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -32.578 7.506 -13.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -31.472 6.422 -12.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -30.945 7.545 -13.756 1.00 0.00 H new ATOM 88 N ASP A 9 -28.856 0.911 -14.527 1.00 0.00 N ATOM 89 CA ASP A 9 -27.977 -0.004 -13.808 1.00 0.00 C ATOM 90 C ASP A 9 -26.731 0.720 -13.307 1.00 0.00 C ATOM 91 O ASP A 9 -26.125 1.510 -14.032 1.00 0.00 O ATOM 92 CB ASP A 9 -27.575 -1.172 -14.710 1.00 0.00 C ATOM 93 CG ASP A 9 -28.749 -2.065 -15.059 1.00 0.00 C ATOM 94 OD1 ASP A 9 -29.313 -2.692 -14.137 1.00 0.00 O ATOM 95 OD2 ASP A 9 -29.105 -2.136 -16.253 1.00 0.00 O ATOM 0 H ASP A 9 -28.373 1.676 -14.999 1.00 0.00 H new ATOM 0 HA ASP A 9 -28.522 -0.390 -12.946 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -27.133 -0.783 -15.627 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -26.807 -1.764 -14.212 1.00 0.00 H new ATOM 100 N PHE A 10 -26.355 0.448 -12.062 1.00 0.00 N ATOM 101 CA PHE A 10 -25.183 1.075 -11.463 1.00 0.00 C ATOM 102 C PHE A 10 -24.783 0.361 -10.175 1.00 0.00 C ATOM 103 O PHE A 10 -25.588 -0.346 -9.568 1.00 0.00 O ATOM 104 CB PHE A 10 -25.458 2.552 -11.177 1.00 0.00 C ATOM 105 CG PHE A 10 -24.213 3.385 -11.071 1.00 0.00 C ATOM 106 CD1 PHE A 10 -23.614 3.907 -12.206 1.00 0.00 C ATOM 107 CD2 PHE A 10 -23.641 3.646 -9.836 1.00 0.00 C ATOM 108 CE1 PHE A 10 -22.468 4.673 -12.111 1.00 0.00 C ATOM 109 CE2 PHE A 10 -22.495 4.411 -9.735 1.00 0.00 C ATOM 110 CZ PHE A 10 -21.908 4.927 -10.874 1.00 0.00 C ATOM 0 H PHE A 10 -26.845 -0.203 -11.448 1.00 0.00 H new ATOM 0 HA PHE A 10 -24.358 0.998 -12.172 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -26.089 2.956 -11.969 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -26.021 2.635 -10.247 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -24.048 3.713 -13.176 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -24.096 3.247 -8.942 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -22.010 5.073 -13.004 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -22.059 4.605 -8.766 1.00 0.00 H new ATOM 0 HZ PHE A 10 -21.014 5.527 -10.798 1.00 0.00 H new ATOM 120 N LEU A 11 -23.534 0.551 -9.764 1.00 0.00 N ATOM 121 CA LEU A 11 -23.026 -0.074 -8.547 1.00 0.00 C ATOM 122 C LEU A 11 -23.493 -1.522 -8.443 1.00 0.00 C ATOM 123 O LEU A 11 -24.090 -1.921 -7.445 1.00 0.00 O ATOM 124 CB LEU A 11 -23.484 0.712 -7.317 1.00 0.00 C ATOM 125 CG LEU A 11 -22.558 1.839 -6.858 1.00 0.00 C ATOM 126 CD1 LEU A 11 -23.225 2.666 -5.769 1.00 0.00 C ATOM 127 CD2 LEU A 11 -21.234 1.274 -6.365 1.00 0.00 C ATOM 0 H LEU A 11 -22.855 1.132 -10.255 1.00 0.00 H new ATOM 0 HA LEU A 11 -21.937 -0.065 -8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -24.465 1.138 -7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -23.610 0.013 -6.490 1.00 0.00 H new ATOM 0 HG LEU A 11 -22.358 2.489 -7.710 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -22.552 3.463 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -24.147 3.101 -6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -23.455 2.027 -4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -20.588 2.090 -6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -21.415 0.601 -5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -20.750 0.725 -7.172 1.00 0.00 H new ATOM 139 N ALA A 12 -23.214 -2.304 -9.481 1.00 0.00 N ATOM 140 CA ALA A 12 -23.601 -3.709 -9.504 1.00 0.00 C ATOM 141 C ALA A 12 -22.472 -4.599 -8.995 1.00 0.00 C ATOM 142 O ALA A 12 -22.628 -5.306 -8.000 1.00 0.00 O ATOM 143 CB ALA A 12 -24.006 -4.121 -10.912 1.00 0.00 C ATOM 0 H ALA A 12 -22.722 -1.988 -10.317 1.00 0.00 H new ATOM 0 HA ALA A 12 -24.455 -3.836 -8.839 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -24.293 -5.173 -10.915 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -24.850 -3.514 -11.240 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -23.166 -3.972 -11.590 1.00 0.00 H new ATOM 149 N MET A 13 -21.337 -4.558 -9.683 1.00 0.00 N ATOM 150 CA MET A 13 -20.181 -5.361 -9.299 1.00 0.00 C ATOM 151 C MET A 13 -18.999 -4.470 -8.930 1.00 0.00 C ATOM 152 O MET A 13 -19.005 -3.270 -9.202 1.00 0.00 O ATOM 153 CB MET A 13 -19.788 -6.304 -10.437 1.00 0.00 C ATOM 154 CG MET A 13 -20.906 -7.242 -10.864 1.00 0.00 C ATOM 155 SD MET A 13 -20.582 -8.033 -12.451 1.00 0.00 S ATOM 156 CE MET A 13 -22.191 -7.905 -13.228 1.00 0.00 C ATOM 0 H MET A 13 -21.192 -3.978 -10.509 1.00 0.00 H new ATOM 0 HA MET A 13 -20.454 -5.952 -8.425 1.00 0.00 H new ATOM 0 HB2 MET A 13 -19.474 -5.712 -11.296 1.00 0.00 H new ATOM 0 HB3 MET A 13 -18.927 -6.896 -10.126 1.00 0.00 H new ATOM 0 HG2 MET A 13 -21.042 -8.009 -10.102 1.00 0.00 H new ATOM 0 HG3 MET A 13 -21.840 -6.683 -10.925 1.00 0.00 H new ATOM 0 HE1 MET A 13 -22.152 -8.352 -14.221 1.00 0.00 H new ATOM 0 HE2 MET A 13 -22.930 -8.430 -12.623 1.00 0.00 H new ATOM 0 HE3 MET A 13 -22.471 -6.855 -13.314 1.00 0.00 H new ATOM 166 N PHE A 14 -17.987 -5.066 -8.308 1.00 0.00 N ATOM 167 CA PHE A 14 -16.798 -4.326 -7.901 1.00 0.00 C ATOM 168 C PHE A 14 -15.618 -5.269 -7.686 1.00 0.00 C ATOM 169 O PHE A 14 -15.586 -6.032 -6.721 1.00 0.00 O ATOM 170 CB PHE A 14 -17.076 -3.540 -6.618 1.00 0.00 C ATOM 171 CG PHE A 14 -16.057 -2.474 -6.335 1.00 0.00 C ATOM 172 CD1 PHE A 14 -14.740 -2.810 -6.066 1.00 0.00 C ATOM 173 CD2 PHE A 14 -16.415 -1.135 -6.339 1.00 0.00 C ATOM 174 CE1 PHE A 14 -13.799 -1.831 -5.806 1.00 0.00 C ATOM 175 CE2 PHE A 14 -15.479 -0.152 -6.080 1.00 0.00 C ATOM 176 CZ PHE A 14 -14.169 -0.501 -5.812 1.00 0.00 C ATOM 0 H PHE A 14 -17.966 -6.059 -8.075 1.00 0.00 H new ATOM 0 HA PHE A 14 -16.543 -3.629 -8.699 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -18.061 -3.079 -6.690 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -17.109 -4.233 -5.777 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -14.445 -3.849 -6.059 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -17.438 -0.857 -6.547 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.776 -2.106 -5.598 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.771 0.888 -6.087 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.436 0.265 -5.608 1.00 0.00 H new ATOM 186 N SER A 15 -14.649 -5.210 -8.594 1.00 0.00 N ATOM 187 CA SER A 15 -13.468 -6.061 -8.509 1.00 0.00 C ATOM 188 C SER A 15 -12.258 -5.376 -9.137 1.00 0.00 C ATOM 189 O SER A 15 -12.382 -4.532 -10.025 1.00 0.00 O ATOM 190 CB SER A 15 -13.727 -7.400 -9.201 1.00 0.00 C ATOM 191 OG SER A 15 -14.855 -8.052 -8.644 1.00 0.00 O ATOM 0 H SER A 15 -14.659 -4.581 -9.397 1.00 0.00 H new ATOM 0 HA SER A 15 -13.255 -6.240 -7.455 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.887 -7.237 -10.267 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.849 -8.039 -9.104 1.00 0.00 H new ATOM 0 HG SER A 15 -15.000 -8.905 -9.105 1.00 0.00 H new ATOM 197 N PRO A 16 -11.058 -5.747 -8.667 1.00 0.00 N ATOM 198 CA PRO A 16 -9.802 -5.182 -9.168 1.00 0.00 C ATOM 199 C PRO A 16 -9.491 -5.631 -10.592 1.00 0.00 C ATOM 200 O PRO A 16 -10.069 -6.598 -11.089 1.00 0.00 O ATOM 201 CB PRO A 16 -8.754 -5.728 -8.195 1.00 0.00 C ATOM 202 CG PRO A 16 -9.351 -6.984 -7.660 1.00 0.00 C ATOM 203 CD PRO A 16 -10.835 -6.748 -7.609 1.00 0.00 C ATOM 0 HA PRO A 16 -9.835 -4.093 -9.214 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.808 -5.923 -8.701 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.547 -5.016 -7.396 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.113 -7.833 -8.301 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.958 -7.212 -6.669 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.394 -7.664 -7.798 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.150 -6.378 -6.633 1.00 0.00 H new ATOM 211 N LYS A 17 -8.575 -4.924 -11.244 1.00 0.00 N ATOM 212 CA LYS A 17 -8.186 -5.250 -12.611 1.00 0.00 C ATOM 213 C LYS A 17 -6.667 -5.273 -12.753 1.00 0.00 C ATOM 214 O LYS A 17 -5.947 -4.716 -11.924 1.00 0.00 O ATOM 215 CB LYS A 17 -8.785 -4.238 -13.589 1.00 0.00 C ATOM 216 CG LYS A 17 -10.171 -3.758 -13.195 1.00 0.00 C ATOM 217 CD LYS A 17 -10.880 -3.084 -14.358 1.00 0.00 C ATOM 218 CE LYS A 17 -11.684 -4.083 -15.175 1.00 0.00 C ATOM 219 NZ LYS A 17 -13.054 -4.275 -14.625 1.00 0.00 N ATOM 0 H LYS A 17 -8.087 -4.121 -10.848 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.571 -6.243 -12.845 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.119 -3.378 -13.662 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.834 -4.689 -14.580 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.764 -4.603 -12.847 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.092 -3.060 -12.362 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.542 -2.305 -13.980 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.146 -2.595 -14.999 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.752 -3.737 -16.206 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.163 -5.040 -15.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.570 -4.963 -15.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.990 -4.629 -13.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.561 -3.367 -14.631 1.00 0.00 H new ATOM 233 N CYS A 18 -6.186 -5.920 -13.810 1.00 0.00 N ATOM 234 CA CYS A 18 -4.754 -6.014 -14.062 1.00 0.00 C ATOM 235 C CYS A 18 -4.148 -4.632 -14.285 1.00 0.00 C ATOM 236 O CYS A 18 -4.769 -3.761 -14.893 1.00 0.00 O ATOM 237 CB CYS A 18 -4.486 -6.903 -15.279 1.00 0.00 C ATOM 238 SG CYS A 18 -2.927 -6.530 -16.143 1.00 0.00 S ATOM 0 H CYS A 18 -6.768 -6.387 -14.506 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.285 -6.459 -13.184 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.471 -7.945 -14.958 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.313 -6.798 -15.982 1.00 0.00 H new ATOM 243 N GLY A 19 -2.930 -4.438 -13.788 1.00 0.00 N ATOM 244 CA GLY A 19 -2.260 -3.160 -13.943 1.00 0.00 C ATOM 245 C GLY A 19 -1.607 -3.009 -15.303 1.00 0.00 C ATOM 246 O GLY A 19 -0.546 -2.399 -15.426 1.00 0.00 O ATOM 0 H GLY A 19 -2.395 -5.143 -13.281 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.981 -2.355 -13.798 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.503 -3.053 -13.166 1.00 0.00 H new ATOM 250 N GLY A 20 -2.242 -3.568 -16.329 1.00 0.00 N ATOM 251 CA GLY A 20 -1.701 -3.483 -17.672 1.00 0.00 C ATOM 252 C GLY A 20 -2.784 -3.435 -18.732 1.00 0.00 C ATOM 253 O GLY A 20 -2.712 -2.639 -19.668 1.00 0.00 O ATOM 0 H GLY A 20 -3.122 -4.078 -16.253 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.078 -2.593 -17.753 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.055 -4.342 -17.855 1.00 0.00 H new ATOM 257 N CYS A 21 -3.789 -4.291 -18.586 1.00 0.00 N ATOM 258 CA CYS A 21 -4.892 -4.346 -19.539 1.00 0.00 C ATOM 259 C CYS A 21 -6.188 -3.858 -18.900 1.00 0.00 C ATOM 260 O CYS A 21 -7.240 -3.844 -19.538 1.00 0.00 O ATOM 261 CB CYS A 21 -5.073 -5.773 -20.060 1.00 0.00 C ATOM 262 SG CYS A 21 -3.536 -6.751 -20.101 1.00 0.00 S ATOM 0 H CYS A 21 -3.863 -4.957 -17.817 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.650 -3.689 -20.375 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.802 -6.287 -19.433 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.491 -5.731 -21.066 1.00 0.00 H new ATOM 267 N ASN A 22 -6.104 -3.457 -17.636 1.00 0.00 N ATOM 268 CA ASN A 22 -7.270 -2.968 -16.909 1.00 0.00 C ATOM 269 C ASN A 22 -8.452 -3.919 -17.074 1.00 0.00 C ATOM 270 O ASN A 22 -9.589 -3.486 -17.258 1.00 0.00 O ATOM 271 CB ASN A 22 -7.654 -1.571 -17.401 1.00 0.00 C ATOM 272 CG ASN A 22 -8.149 -1.578 -18.834 1.00 0.00 C ATOM 273 OD1 ASN A 22 -7.366 -1.442 -19.774 1.00 0.00 O ATOM 274 ND2 ASN A 22 -9.456 -1.736 -19.007 1.00 0.00 N ATOM 0 H ASN A 22 -5.240 -3.461 -17.093 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.012 -2.916 -15.851 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.429 -1.161 -16.754 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.790 -0.911 -17.321 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.848 -1.748 -19.949 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.068 -1.845 -18.198 1.00 0.00 H new ATOM 281 N ARG A 23 -8.174 -5.217 -17.005 1.00 0.00 N ATOM 282 CA ARG A 23 -9.213 -6.229 -17.147 1.00 0.00 C ATOM 283 C ARG A 23 -9.522 -6.883 -15.803 1.00 0.00 C ATOM 284 O ARG A 23 -8.682 -6.938 -14.904 1.00 0.00 O ATOM 285 CB ARG A 23 -8.783 -7.294 -18.157 1.00 0.00 C ATOM 286 CG ARG A 23 -9.118 -6.939 -19.597 1.00 0.00 C ATOM 287 CD ARG A 23 -9.355 -8.184 -20.437 1.00 0.00 C ATOM 288 NE ARG A 23 -10.465 -8.985 -19.928 1.00 0.00 N ATOM 289 CZ ARG A 23 -10.609 -10.282 -20.176 1.00 0.00 C ATOM 290 NH1 ARG A 23 -9.719 -10.921 -20.922 1.00 0.00 N ATOM 291 NH2 ARG A 23 -11.646 -10.943 -19.677 1.00 0.00 N ATOM 0 H ARG A 23 -7.238 -5.592 -16.852 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.116 -5.738 -17.509 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.708 -7.451 -18.071 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.264 -8.239 -17.903 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.007 -6.309 -19.620 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.303 -6.357 -20.028 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.561 -7.893 -21.467 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.448 -8.789 -20.452 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.168 -8.523 -19.351 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.921 -10.417 -21.308 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.833 -11.917 -21.110 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.333 -10.455 -19.103 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.756 -11.939 -19.868 1.00 0.00 H new ATOM 305 N PRO A 24 -10.755 -7.391 -15.661 1.00 0.00 N ATOM 306 CA PRO A 24 -11.203 -8.050 -14.431 1.00 0.00 C ATOM 307 C PRO A 24 -10.518 -9.395 -14.211 1.00 0.00 C ATOM 308 O PRO A 24 -10.892 -10.399 -14.817 1.00 0.00 O ATOM 309 CB PRO A 24 -12.704 -8.245 -14.660 1.00 0.00 C ATOM 310 CG PRO A 24 -12.860 -8.283 -16.141 1.00 0.00 C ATOM 311 CD PRO A 24 -11.807 -7.361 -16.691 1.00 0.00 C ATOM 0 HA PRO A 24 -10.966 -7.462 -13.544 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.058 -9.168 -14.201 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.280 -7.430 -14.222 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.729 -9.296 -16.521 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.857 -7.957 -16.437 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.435 -7.706 -17.656 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.194 -6.353 -16.841 1.00 0.00 H new ATOM 319 N VAL A 25 -9.513 -9.407 -13.341 1.00 0.00 N ATOM 320 CA VAL A 25 -8.777 -10.629 -13.040 1.00 0.00 C ATOM 321 C VAL A 25 -9.431 -11.397 -11.897 1.00 0.00 C ATOM 322 O VAL A 25 -9.656 -10.852 -10.816 1.00 0.00 O ATOM 323 CB VAL A 25 -7.314 -10.326 -12.669 1.00 0.00 C ATOM 324 CG1 VAL A 25 -6.526 -9.907 -13.901 1.00 0.00 C ATOM 325 CG2 VAL A 25 -7.249 -9.251 -11.594 1.00 0.00 C ATOM 0 H VAL A 25 -9.190 -8.584 -12.832 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.796 -11.240 -13.942 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.863 -11.235 -12.270 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.494 -9.697 -13.619 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.545 -10.712 -14.636 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.974 -9.012 -14.332 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.207 -9.049 -11.344 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.717 -8.338 -11.963 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.776 -9.594 -10.704 1.00 0.00 H new ATOM 335 N LEU A 26 -9.734 -12.667 -12.143 1.00 0.00 N ATOM 336 CA LEU A 26 -10.363 -13.513 -11.134 1.00 0.00 C ATOM 337 C LEU A 26 -9.622 -14.839 -10.997 1.00 0.00 C ATOM 338 O LEU A 26 -9.356 -15.300 -9.887 1.00 0.00 O ATOM 339 CB LEU A 26 -11.827 -13.768 -11.494 1.00 0.00 C ATOM 340 CG LEU A 26 -12.662 -12.531 -11.825 1.00 0.00 C ATOM 341 CD1 LEU A 26 -14.071 -12.932 -12.235 1.00 0.00 C ATOM 342 CD2 LEU A 26 -12.700 -11.579 -10.638 1.00 0.00 C ATOM 0 H LEU A 26 -9.554 -13.134 -13.032 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.317 -12.992 -10.178 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.858 -14.442 -12.350 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.300 -14.289 -10.661 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.195 -12.015 -12.664 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -14.651 -12.038 -12.467 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -14.025 -13.573 -13.115 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.548 -13.472 -11.417 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.299 -10.704 -10.892 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.143 -12.085 -9.780 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.686 -11.265 -10.391 1.00 0.00 H new ATOM 354 N GLU A 27 -9.290 -15.446 -12.132 1.00 0.00 N ATOM 355 CA GLU A 27 -8.579 -16.719 -12.138 1.00 0.00 C ATOM 356 C GLU A 27 -7.102 -16.515 -12.461 1.00 0.00 C ATOM 357 O GLU A 27 -6.743 -15.645 -13.254 1.00 0.00 O ATOM 358 CB GLU A 27 -9.207 -17.675 -13.153 1.00 0.00 C ATOM 359 CG GLU A 27 -9.430 -17.051 -14.520 1.00 0.00 C ATOM 360 CD GLU A 27 -9.971 -18.042 -15.533 1.00 0.00 C ATOM 361 OE1 GLU A 27 -11.084 -18.564 -15.314 1.00 0.00 O ATOM 362 OE2 GLU A 27 -9.283 -18.295 -16.543 1.00 0.00 O ATOM 0 H GLU A 27 -9.502 -15.077 -13.059 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.659 -17.155 -11.142 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.564 -18.549 -13.262 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.162 -18.028 -12.764 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.126 -16.217 -14.425 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.489 -16.641 -14.886 1.00 0.00 H new ATOM 369 N ASN A 28 -6.249 -17.323 -11.840 1.00 0.00 N ATOM 370 CA ASN A 28 -4.810 -17.232 -12.060 1.00 0.00 C ATOM 371 C ASN A 28 -4.355 -15.776 -12.082 1.00 0.00 C ATOM 372 O ASN A 28 -3.700 -15.333 -13.026 1.00 0.00 O ATOM 373 CB ASN A 28 -4.430 -17.916 -13.375 1.00 0.00 C ATOM 374 CG ASN A 28 -5.446 -17.665 -14.472 1.00 0.00 C ATOM 375 OD1 ASN A 28 -5.385 -16.653 -15.170 1.00 0.00 O ATOM 376 ND2 ASN A 28 -6.387 -18.589 -14.629 1.00 0.00 N ATOM 0 H ASN A 28 -6.529 -18.049 -11.180 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.308 -17.739 -11.236 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.453 -17.557 -13.699 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.336 -18.989 -13.209 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.098 -18.475 -15.352 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.399 -19.412 -14.027 1.00 0.00 H new ATOM 383 N TYR A 29 -4.706 -15.036 -11.035 1.00 0.00 N ATOM 384 CA TYR A 29 -4.335 -13.630 -10.935 1.00 0.00 C ATOM 385 C TYR A 29 -3.329 -13.411 -9.809 1.00 0.00 C ATOM 386 O TYR A 29 -3.289 -14.169 -8.839 1.00 0.00 O ATOM 387 CB TYR A 29 -5.577 -12.769 -10.697 1.00 0.00 C ATOM 388 CG TYR A 29 -6.101 -12.839 -9.280 1.00 0.00 C ATOM 389 CD1 TYR A 29 -6.991 -13.835 -8.896 1.00 0.00 C ATOM 390 CD2 TYR A 29 -5.707 -11.909 -8.326 1.00 0.00 C ATOM 391 CE1 TYR A 29 -7.472 -13.903 -7.603 1.00 0.00 C ATOM 392 CE2 TYR A 29 -6.182 -11.970 -7.031 1.00 0.00 C ATOM 393 CZ TYR A 29 -7.065 -12.968 -6.674 1.00 0.00 C ATOM 394 OH TYR A 29 -7.542 -13.031 -5.385 1.00 0.00 O ATOM 0 H TYR A 29 -5.247 -15.387 -10.244 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.871 -13.335 -11.876 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.341 -11.732 -10.937 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.364 -13.084 -11.382 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.312 -14.568 -9.621 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.017 -11.125 -8.602 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.163 -14.684 -7.321 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.864 -11.240 -6.301 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.157 -12.300 -4.858 1.00 0.00 H new ATOM 404 N LEU A 30 -2.517 -12.368 -9.945 1.00 0.00 N ATOM 405 CA LEU A 30 -1.509 -12.047 -8.940 1.00 0.00 C ATOM 406 C LEU A 30 -1.925 -10.828 -8.123 1.00 0.00 C ATOM 407 O LEU A 30 -2.875 -10.128 -8.473 1.00 0.00 O ATOM 408 CB LEU A 30 -0.157 -11.791 -9.609 1.00 0.00 C ATOM 409 CG LEU A 30 0.157 -12.646 -10.837 1.00 0.00 C ATOM 410 CD1 LEU A 30 -0.534 -12.084 -12.069 1.00 0.00 C ATOM 411 CD2 LEU A 30 1.660 -12.729 -11.058 1.00 0.00 C ATOM 0 H LEU A 30 -2.537 -11.730 -10.741 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.418 -12.899 -8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.111 -10.742 -9.900 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.628 -11.951 -8.870 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.221 -13.653 -10.661 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.299 -12.705 -12.933 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.612 -12.077 -11.910 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.187 -11.067 -12.249 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.865 -13.341 -11.936 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.061 -11.727 -11.212 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.132 -13.178 -10.184 1.00 0.00 H new ATOM 423 N SER A 31 -1.205 -10.579 -7.033 1.00 0.00 N ATOM 424 CA SER A 31 -1.500 -9.446 -6.165 1.00 0.00 C ATOM 425 C SER A 31 -0.222 -8.702 -5.790 1.00 0.00 C ATOM 426 O SER A 31 0.493 -9.098 -4.870 1.00 0.00 O ATOM 427 CB SER A 31 -2.218 -9.918 -4.900 1.00 0.00 C ATOM 428 OG SER A 31 -3.624 -9.913 -5.079 1.00 0.00 O ATOM 0 H SER A 31 -0.414 -11.147 -6.731 1.00 0.00 H new ATOM 0 HA SER A 31 -2.151 -8.763 -6.710 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.885 -10.923 -4.643 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.952 -9.270 -4.064 1.00 0.00 H new ATOM 0 HG SER A 31 -4.060 -10.220 -4.257 1.00 0.00 H new ATOM 434 N ALA A 32 0.060 -7.621 -6.510 1.00 0.00 N ATOM 435 CA ALA A 32 1.250 -6.820 -6.253 1.00 0.00 C ATOM 436 C ALA A 32 0.906 -5.337 -6.171 1.00 0.00 C ATOM 437 O ALA A 32 -0.133 -4.902 -6.667 1.00 0.00 O ATOM 438 CB ALA A 32 2.293 -7.063 -7.333 1.00 0.00 C ATOM 0 H ALA A 32 -0.520 -7.280 -7.276 1.00 0.00 H new ATOM 0 HA ALA A 32 1.662 -7.124 -5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.176 -6.458 -7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.569 -8.117 -7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.882 -6.788 -8.304 1.00 0.00 H new ATOM 444 N MET A 33 1.785 -4.564 -5.540 1.00 0.00 N ATOM 445 CA MET A 33 1.573 -3.129 -5.394 1.00 0.00 C ATOM 446 C MET A 33 0.168 -2.836 -4.880 1.00 0.00 C ATOM 447 O MET A 33 -0.499 -1.917 -5.356 1.00 0.00 O ATOM 448 CB MET A 33 1.798 -2.420 -6.731 1.00 0.00 C ATOM 449 CG MET A 33 3.204 -2.594 -7.282 1.00 0.00 C ATOM 450 SD MET A 33 3.650 -1.310 -8.467 1.00 0.00 S ATOM 451 CE MET A 33 4.758 -2.213 -9.545 1.00 0.00 C ATOM 0 H MET A 33 2.650 -4.908 -5.122 1.00 0.00 H new ATOM 0 HA MET A 33 2.292 -2.753 -4.666 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.082 -2.800 -7.459 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.594 -1.356 -6.608 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.917 -2.585 -6.457 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.284 -3.569 -7.762 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.811 -1.714 -10.513 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.752 -2.247 -9.099 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.386 -3.229 -9.681 1.00 0.00 H new ATOM 461 N ASP A 34 -0.278 -3.623 -3.907 1.00 0.00 N ATOM 462 CA ASP A 34 -1.604 -3.447 -3.328 1.00 0.00 C ATOM 463 C ASP A 34 -2.683 -3.536 -4.403 1.00 0.00 C ATOM 464 O ASP A 34 -3.769 -2.975 -4.257 1.00 0.00 O ATOM 465 CB ASP A 34 -1.696 -2.101 -2.607 1.00 0.00 C ATOM 466 CG ASP A 34 -3.080 -1.835 -2.050 1.00 0.00 C ATOM 467 OD1 ASP A 34 -3.452 -2.484 -1.050 1.00 0.00 O ATOM 468 OD2 ASP A 34 -3.793 -0.979 -2.615 1.00 0.00 O ATOM 0 H ASP A 34 0.260 -4.389 -3.503 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.767 -4.248 -2.607 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.970 -2.077 -1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.426 -1.303 -3.299 1.00 0.00 H new ATOM 473 N THR A 35 -2.375 -4.245 -5.485 1.00 0.00 N ATOM 474 CA THR A 35 -3.316 -4.405 -6.586 1.00 0.00 C ATOM 475 C THR A 35 -3.176 -5.779 -7.233 1.00 0.00 C ATOM 476 O THR A 35 -2.375 -6.604 -6.795 1.00 0.00 O ATOM 477 CB THR A 35 -3.114 -3.321 -7.661 1.00 0.00 C ATOM 478 OG1 THR A 35 -4.250 -3.275 -8.531 1.00 0.00 O ATOM 479 CG2 THR A 35 -1.857 -3.593 -8.475 1.00 0.00 C ATOM 0 H THR A 35 -1.481 -4.717 -5.622 1.00 0.00 H new ATOM 0 HA THR A 35 -4.316 -4.305 -6.164 1.00 0.00 H new ATOM 0 HB THR A 35 -3.002 -2.360 -7.159 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.114 -2.582 -9.210 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.735 -2.814 -9.228 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.990 -3.598 -7.815 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.944 -4.562 -8.966 1.00 0.00 H new ATOM 487 N VAL A 36 -3.960 -6.017 -8.280 1.00 0.00 N ATOM 488 CA VAL A 36 -3.922 -7.291 -8.989 1.00 0.00 C ATOM 489 C VAL A 36 -3.216 -7.151 -10.333 1.00 0.00 C ATOM 490 O VAL A 36 -3.086 -6.048 -10.865 1.00 0.00 O ATOM 491 CB VAL A 36 -5.340 -7.847 -9.221 1.00 0.00 C ATOM 492 CG1 VAL A 36 -6.060 -8.042 -7.896 1.00 0.00 C ATOM 493 CG2 VAL A 36 -6.130 -6.924 -10.137 1.00 0.00 C ATOM 0 H VAL A 36 -4.629 -5.345 -8.656 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.366 -7.987 -8.361 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.256 -8.819 -9.707 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.060 -8.435 -8.080 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.501 -8.745 -7.278 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.136 -7.085 -7.379 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.129 -7.332 -10.290 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.207 -5.937 -9.681 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.621 -6.841 -11.097 1.00 0.00 H new ATOM 503 N TRP A 37 -2.764 -8.274 -10.877 1.00 0.00 N ATOM 504 CA TRP A 37 -2.071 -8.277 -12.161 1.00 0.00 C ATOM 505 C TRP A 37 -2.334 -9.573 -12.919 1.00 0.00 C ATOM 506 O TRP A 37 -3.052 -10.450 -12.437 1.00 0.00 O ATOM 507 CB TRP A 37 -0.567 -8.090 -11.953 1.00 0.00 C ATOM 508 CG TRP A 37 -0.218 -6.799 -11.275 1.00 0.00 C ATOM 509 CD1 TRP A 37 -0.245 -6.545 -9.933 1.00 0.00 C ATOM 510 CD2 TRP A 37 0.210 -5.588 -11.906 1.00 0.00 C ATOM 511 NE1 TRP A 37 0.140 -5.248 -9.693 1.00 0.00 N ATOM 512 CE2 TRP A 37 0.425 -4.640 -10.887 1.00 0.00 C ATOM 513 CE3 TRP A 37 0.433 -5.212 -13.234 1.00 0.00 C ATOM 514 CZ2 TRP A 37 0.851 -3.342 -11.156 1.00 0.00 C ATOM 515 CZ3 TRP A 37 0.856 -3.923 -13.499 1.00 0.00 C ATOM 516 CH2 TRP A 37 1.062 -3.001 -12.464 1.00 0.00 C ATOM 0 H TRP A 37 -2.864 -9.195 -10.450 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.455 -7.447 -12.754 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.183 -8.920 -11.359 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.066 -8.132 -12.920 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.527 -7.258 -9.173 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.203 -4.809 -8.774 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.278 -5.916 -14.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.009 -2.629 -10.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.031 -3.621 -14.521 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.394 -2.002 -12.704 1.00 0.00 H new ATOM 527 N HIS A 38 -1.749 -9.688 -14.107 1.00 0.00 N ATOM 528 CA HIS A 38 -1.921 -10.880 -14.931 1.00 0.00 C ATOM 529 C HIS A 38 -0.637 -11.703 -14.969 1.00 0.00 C ATOM 530 O HIS A 38 0.472 -11.169 -14.995 1.00 0.00 O ATOM 531 CB HIS A 38 -2.332 -10.488 -16.351 1.00 0.00 C ATOM 532 CG HIS A 38 -3.815 -10.462 -16.560 1.00 0.00 C ATOM 533 ND1 HIS A 38 -4.450 -9.509 -17.328 1.00 0.00 N ATOM 534 CD2 HIS A 38 -4.788 -11.280 -16.096 1.00 0.00 C ATOM 535 CE1 HIS A 38 -5.750 -9.741 -17.327 1.00 0.00 C ATOM 536 NE2 HIS A 38 -5.982 -10.811 -16.587 1.00 0.00 N ATOM 0 H HIS A 38 -1.152 -8.971 -14.521 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.709 -11.489 -14.488 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.924 -9.504 -16.580 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.886 -11.190 -17.056 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.651 -12.141 -15.459 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.497 -9.156 -17.843 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.899 -11.222 -16.409 1.00 0.00 H new ATOM 544 N PRO A 39 -0.789 -13.036 -14.972 1.00 0.00 N ATOM 545 CA PRO A 39 0.348 -13.962 -15.006 1.00 0.00 C ATOM 546 C PRO A 39 1.070 -13.943 -16.349 1.00 0.00 C ATOM 547 O PRO A 39 1.954 -14.762 -16.599 1.00 0.00 O ATOM 548 CB PRO A 39 -0.300 -15.328 -14.767 1.00 0.00 C ATOM 549 CG PRO A 39 -1.705 -15.168 -15.236 1.00 0.00 C ATOM 550 CD PRO A 39 -2.081 -13.742 -14.942 1.00 0.00 C ATOM 0 HA PRO A 39 1.109 -13.701 -14.270 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.215 -16.113 -15.321 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.263 -15.605 -13.713 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.787 -15.381 -16.302 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.370 -15.861 -14.720 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.772 -13.347 -15.686 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.569 -13.647 -13.972 1.00 0.00 H new ATOM 558 N GLU A 40 0.688 -13.003 -17.208 1.00 0.00 N ATOM 559 CA GLU A 40 1.301 -12.879 -18.526 1.00 0.00 C ATOM 560 C GLU A 40 1.789 -11.454 -18.767 1.00 0.00 C ATOM 561 O GLU A 40 2.756 -11.232 -19.497 1.00 0.00 O ATOM 562 CB GLU A 40 0.305 -13.280 -19.616 1.00 0.00 C ATOM 563 CG GLU A 40 -0.934 -12.401 -19.661 1.00 0.00 C ATOM 564 CD GLU A 40 -1.951 -12.879 -20.679 1.00 0.00 C ATOM 565 OE1 GLU A 40 -2.624 -13.897 -20.412 1.00 0.00 O ATOM 566 OE2 GLU A 40 -2.074 -12.235 -21.742 1.00 0.00 O ATOM 0 H GLU A 40 -0.042 -12.317 -17.016 1.00 0.00 H new ATOM 0 HA GLU A 40 2.159 -13.550 -18.564 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.804 -13.241 -20.584 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.001 -14.314 -19.456 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.396 -12.380 -18.674 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.641 -11.378 -19.898 1.00 0.00 H new ATOM 573 N CYS A 41 1.114 -10.491 -18.148 1.00 0.00 N ATOM 574 CA CYS A 41 1.477 -9.087 -18.295 1.00 0.00 C ATOM 575 C CYS A 41 2.537 -8.689 -17.272 1.00 0.00 C ATOM 576 O CYS A 41 3.528 -8.041 -17.608 1.00 0.00 O ATOM 577 CB CYS A 41 0.240 -8.200 -18.136 1.00 0.00 C ATOM 578 SG CYS A 41 -1.245 -8.837 -18.977 1.00 0.00 S ATOM 0 H CYS A 41 0.312 -10.658 -17.540 1.00 0.00 H new ATOM 0 HA CYS A 41 1.891 -8.947 -19.294 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.022 -8.086 -17.074 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.466 -7.207 -18.524 1.00 0.00 H new ATOM 583 N PHE A 42 2.320 -9.081 -16.021 1.00 0.00 N ATOM 584 CA PHE A 42 3.256 -8.765 -14.947 1.00 0.00 C ATOM 585 C PHE A 42 4.687 -9.102 -15.357 1.00 0.00 C ATOM 586 O PHE A 42 5.103 -10.259 -15.302 1.00 0.00 O ATOM 587 CB PHE A 42 2.883 -9.530 -13.676 1.00 0.00 C ATOM 588 CG PHE A 42 3.353 -8.862 -12.415 1.00 0.00 C ATOM 589 CD1 PHE A 42 2.774 -7.680 -11.984 1.00 0.00 C ATOM 590 CD2 PHE A 42 4.375 -9.417 -11.661 1.00 0.00 C ATOM 591 CE1 PHE A 42 3.205 -7.063 -10.825 1.00 0.00 C ATOM 592 CE2 PHE A 42 4.810 -8.805 -10.501 1.00 0.00 C ATOM 593 CZ PHE A 42 4.224 -7.627 -10.082 1.00 0.00 C ATOM 0 H PHE A 42 1.505 -9.618 -15.725 1.00 0.00 H new ATOM 0 HA PHE A 42 3.196 -7.695 -14.749 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.800 -9.645 -13.635 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.308 -10.532 -13.727 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.976 -7.235 -12.560 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.837 -10.338 -11.984 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.746 -6.141 -10.500 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.608 -9.248 -9.923 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.562 -7.147 -9.175 1.00 0.00 H new ATOM 603 N VAL A 43 5.434 -8.083 -15.767 1.00 0.00 N ATOM 604 CA VAL A 43 6.819 -8.270 -16.185 1.00 0.00 C ATOM 605 C VAL A 43 7.622 -6.985 -16.015 1.00 0.00 C ATOM 606 O VAL A 43 7.071 -5.934 -15.688 1.00 0.00 O ATOM 607 CB VAL A 43 6.904 -8.725 -17.654 1.00 0.00 C ATOM 608 CG1 VAL A 43 6.094 -9.995 -17.867 1.00 0.00 C ATOM 609 CG2 VAL A 43 6.431 -7.618 -18.583 1.00 0.00 C ATOM 0 H VAL A 43 5.104 -7.119 -15.819 1.00 0.00 H new ATOM 0 HA VAL A 43 7.241 -9.046 -15.547 1.00 0.00 H new ATOM 0 HB VAL A 43 7.946 -8.944 -17.889 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.166 -10.302 -18.911 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.485 -10.787 -17.228 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.050 -9.807 -17.615 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.498 -7.957 -19.617 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.397 -7.365 -18.350 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.059 -6.737 -18.449 1.00 0.00 H new ATOM 619 N CYS A 44 8.928 -7.077 -16.240 1.00 0.00 N ATOM 620 CA CYS A 44 9.810 -5.923 -16.112 1.00 0.00 C ATOM 621 C CYS A 44 9.426 -4.832 -17.109 1.00 0.00 C ATOM 622 O CYS A 44 8.683 -5.078 -18.058 1.00 0.00 O ATOM 623 CB CYS A 44 11.266 -6.340 -16.330 1.00 0.00 C ATOM 624 SG CYS A 44 12.478 -5.033 -15.953 1.00 0.00 S ATOM 0 H CYS A 44 9.400 -7.940 -16.512 1.00 0.00 H new ATOM 0 HA CYS A 44 9.701 -5.524 -15.104 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.481 -7.210 -15.709 1.00 0.00 H new ATOM 0 HB3 CYS A 44 11.393 -6.650 -17.367 1.00 0.00 H new ATOM 629 N GLY A 45 9.941 -3.627 -16.886 1.00 0.00 N ATOM 630 CA GLY A 45 9.642 -2.517 -17.772 1.00 0.00 C ATOM 631 C GLY A 45 10.703 -2.323 -18.836 1.00 0.00 C ATOM 632 O GLY A 45 10.461 -1.673 -19.853 1.00 0.00 O ATOM 0 H GLY A 45 10.560 -3.399 -16.108 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.678 -2.688 -18.251 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.548 -1.603 -17.186 1.00 0.00 H new ATOM 636 N ASP A 46 11.883 -2.886 -18.602 1.00 0.00 N ATOM 637 CA ASP A 46 12.987 -2.771 -19.549 1.00 0.00 C ATOM 638 C ASP A 46 13.169 -4.068 -20.331 1.00 0.00 C ATOM 639 O ASP A 46 12.982 -4.103 -21.547 1.00 0.00 O ATOM 640 CB ASP A 46 14.281 -2.416 -18.815 1.00 0.00 C ATOM 641 CG ASP A 46 14.241 -1.028 -18.207 1.00 0.00 C ATOM 642 OD1 ASP A 46 14.372 -0.045 -18.964 1.00 0.00 O ATOM 643 OD2 ASP A 46 14.079 -0.926 -16.972 1.00 0.00 O ATOM 0 H ASP A 46 12.100 -3.427 -17.765 1.00 0.00 H new ATOM 0 HA ASP A 46 12.748 -1.974 -20.254 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.462 -3.149 -18.028 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.119 -2.481 -19.510 1.00 0.00 H new ATOM 648 N CYS A 47 13.537 -5.131 -19.625 1.00 0.00 N ATOM 649 CA CYS A 47 13.747 -6.431 -20.252 1.00 0.00 C ATOM 650 C CYS A 47 12.420 -7.156 -20.459 1.00 0.00 C ATOM 651 O CYS A 47 12.335 -8.107 -21.236 1.00 0.00 O ATOM 652 CB CYS A 47 14.682 -7.288 -19.397 1.00 0.00 C ATOM 653 SG CYS A 47 14.017 -7.697 -17.750 1.00 0.00 S ATOM 0 H CYS A 47 13.696 -5.118 -18.618 1.00 0.00 H new ATOM 0 HA CYS A 47 14.206 -6.267 -21.227 1.00 0.00 H new ATOM 0 HB2 CYS A 47 14.898 -8.214 -19.930 1.00 0.00 H new ATOM 0 HB3 CYS A 47 15.629 -6.762 -19.275 1.00 0.00 H new ATOM 658 N PHE A 48 11.388 -6.699 -19.758 1.00 0.00 N ATOM 659 CA PHE A 48 10.065 -7.304 -19.863 1.00 0.00 C ATOM 660 C PHE A 48 10.132 -8.807 -19.608 1.00 0.00 C ATOM 661 O PHE A 48 9.622 -9.606 -20.394 1.00 0.00 O ATOM 662 CB PHE A 48 9.467 -7.036 -21.246 1.00 0.00 C ATOM 663 CG PHE A 48 9.029 -5.613 -21.444 1.00 0.00 C ATOM 664 CD1 PHE A 48 9.935 -4.645 -21.846 1.00 0.00 C ATOM 665 CD2 PHE A 48 7.712 -5.243 -21.228 1.00 0.00 C ATOM 666 CE1 PHE A 48 9.536 -3.335 -22.030 1.00 0.00 C ATOM 667 CE2 PHE A 48 7.306 -3.935 -21.410 1.00 0.00 C ATOM 668 CZ PHE A 48 8.219 -2.979 -21.811 1.00 0.00 C ATOM 0 H PHE A 48 11.442 -5.912 -19.111 1.00 0.00 H new ATOM 0 HA PHE A 48 9.425 -6.853 -19.104 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.204 -7.290 -22.007 1.00 0.00 H new ATOM 0 HB3 PHE A 48 8.612 -7.695 -21.397 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.966 -4.918 -22.018 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.994 -5.986 -20.914 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.252 -2.591 -22.344 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.276 -3.660 -21.239 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.904 -1.956 -21.953 1.00 0.00 H new ATOM 678 N THR A 49 10.767 -9.186 -18.503 1.00 0.00 N ATOM 679 CA THR A 49 10.903 -10.592 -18.144 1.00 0.00 C ATOM 680 C THR A 49 9.863 -10.998 -17.106 1.00 0.00 C ATOM 681 O THR A 49 9.472 -10.196 -16.259 1.00 0.00 O ATOM 682 CB THR A 49 12.309 -10.897 -17.592 1.00 0.00 C ATOM 683 OG1 THR A 49 12.553 -12.307 -17.627 1.00 0.00 O ATOM 684 CG2 THR A 49 12.453 -10.387 -16.166 1.00 0.00 C ATOM 0 H THR A 49 11.195 -8.538 -17.841 1.00 0.00 H new ATOM 0 HA THR A 49 10.746 -11.168 -19.056 1.00 0.00 H new ATOM 0 HB THR A 49 13.040 -10.386 -18.219 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.449 -12.493 -17.276 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.454 -10.614 -15.798 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.295 -9.309 -16.148 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.713 -10.873 -15.529 1.00 0.00 H new ATOM 692 N SER A 50 9.419 -12.249 -17.178 1.00 0.00 N ATOM 693 CA SER A 50 8.421 -12.760 -16.246 1.00 0.00 C ATOM 694 C SER A 50 9.031 -12.980 -14.865 1.00 0.00 C ATOM 695 O SER A 50 10.211 -13.309 -14.739 1.00 0.00 O ATOM 696 CB SER A 50 7.829 -14.070 -16.769 1.00 0.00 C ATOM 697 OG SER A 50 6.703 -14.462 -16.003 1.00 0.00 O ATOM 0 H SER A 50 9.735 -12.927 -17.872 1.00 0.00 H new ATOM 0 HA SER A 50 7.626 -12.019 -16.159 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.539 -13.951 -17.813 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.586 -14.854 -16.736 1.00 0.00 H new ATOM 0 HG SER A 50 6.342 -15.301 -16.358 1.00 0.00 H new ATOM 703 N PHE A 51 8.217 -12.797 -13.830 1.00 0.00 N ATOM 704 CA PHE A 51 8.675 -12.974 -12.457 1.00 0.00 C ATOM 705 C PHE A 51 8.105 -14.255 -11.855 1.00 0.00 C ATOM 706 O PHE A 51 6.972 -14.277 -11.374 1.00 0.00 O ATOM 707 CB PHE A 51 8.269 -11.771 -11.603 1.00 0.00 C ATOM 708 CG PHE A 51 8.794 -10.463 -12.122 1.00 0.00 C ATOM 709 CD1 PHE A 51 10.153 -10.196 -12.119 1.00 0.00 C ATOM 710 CD2 PHE A 51 7.927 -9.500 -12.613 1.00 0.00 C ATOM 711 CE1 PHE A 51 10.639 -8.993 -12.597 1.00 0.00 C ATOM 712 CE2 PHE A 51 8.406 -8.296 -13.093 1.00 0.00 C ATOM 713 CZ PHE A 51 9.764 -8.041 -13.083 1.00 0.00 C ATOM 0 H PHE A 51 7.237 -12.526 -13.916 1.00 0.00 H new ATOM 0 HA PHE A 51 9.762 -13.052 -12.470 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.181 -11.722 -11.552 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.629 -11.920 -10.585 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.841 -10.936 -11.739 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.864 -9.693 -12.621 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.701 -8.798 -12.590 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.720 -7.555 -13.476 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.141 -7.099 -13.454 1.00 0.00 H new ATOM 723 N SER A 52 8.899 -15.320 -11.886 1.00 0.00 N ATOM 724 CA SER A 52 8.473 -16.607 -11.348 1.00 0.00 C ATOM 725 C SER A 52 9.430 -17.084 -10.259 1.00 0.00 C ATOM 726 O SER A 52 9.006 -17.607 -9.228 1.00 0.00 O ATOM 727 CB SER A 52 8.393 -17.650 -12.464 1.00 0.00 C ATOM 728 OG SER A 52 9.685 -17.987 -12.941 1.00 0.00 O ATOM 0 H SER A 52 9.841 -15.318 -12.278 1.00 0.00 H new ATOM 0 HA SER A 52 7.484 -16.479 -10.909 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.894 -18.545 -12.094 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.788 -17.264 -13.284 1.00 0.00 H new ATOM 0 HG SER A 52 9.607 -18.656 -13.652 1.00 0.00 H new ATOM 734 N THR A 53 10.725 -16.898 -10.495 1.00 0.00 N ATOM 735 CA THR A 53 11.743 -17.310 -9.536 1.00 0.00 C ATOM 736 C THR A 53 12.586 -16.122 -9.086 1.00 0.00 C ATOM 737 O THR A 53 13.804 -16.229 -8.947 1.00 0.00 O ATOM 738 CB THR A 53 12.671 -18.387 -10.130 1.00 0.00 C ATOM 739 OG1 THR A 53 13.284 -17.899 -11.328 1.00 0.00 O ATOM 740 CG2 THR A 53 11.896 -19.661 -10.432 1.00 0.00 C ATOM 0 H THR A 53 11.094 -16.465 -11.342 1.00 0.00 H new ATOM 0 HA THR A 53 11.218 -17.727 -8.677 1.00 0.00 H new ATOM 0 HB THR A 53 13.443 -18.616 -9.396 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.873 -18.589 -11.698 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.571 -20.407 -10.851 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.455 -20.046 -9.512 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.105 -19.444 -11.150 1.00 0.00 H new ATOM 748 N GLY A 54 11.929 -14.988 -8.858 1.00 0.00 N ATOM 749 CA GLY A 54 12.635 -13.797 -8.424 1.00 0.00 C ATOM 750 C GLY A 54 11.693 -12.701 -7.965 1.00 0.00 C ATOM 751 O GLY A 54 11.080 -12.016 -8.784 1.00 0.00 O ATOM 0 H GLY A 54 10.921 -14.874 -8.966 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.311 -14.056 -7.609 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.250 -13.424 -9.243 1.00 0.00 H new ATOM 755 N SER A 55 11.577 -12.534 -6.652 1.00 0.00 N ATOM 756 CA SER A 55 10.700 -11.517 -6.085 1.00 0.00 C ATOM 757 C SER A 55 10.862 -10.189 -6.818 1.00 0.00 C ATOM 758 O SER A 55 11.890 -9.522 -6.699 1.00 0.00 O ATOM 759 CB SER A 55 10.996 -11.330 -4.595 1.00 0.00 C ATOM 760 OG SER A 55 10.928 -12.564 -3.902 1.00 0.00 O ATOM 0 H SER A 55 12.080 -13.090 -5.960 1.00 0.00 H new ATOM 0 HA SER A 55 9.670 -11.854 -6.204 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.987 -10.893 -4.470 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.282 -10.628 -4.165 1.00 0.00 H new ATOM 0 HG SER A 55 11.123 -12.417 -2.953 1.00 0.00 H new ATOM 766 N PHE A 56 9.839 -9.812 -7.578 1.00 0.00 N ATOM 767 CA PHE A 56 9.867 -8.564 -8.333 1.00 0.00 C ATOM 768 C PHE A 56 10.282 -7.398 -7.441 1.00 0.00 C ATOM 769 O PHE A 56 10.427 -7.551 -6.228 1.00 0.00 O ATOM 770 CB PHE A 56 8.495 -8.286 -8.950 1.00 0.00 C ATOM 771 CG PHE A 56 7.583 -7.499 -8.054 1.00 0.00 C ATOM 772 CD1 PHE A 56 7.032 -8.078 -6.923 1.00 0.00 C ATOM 773 CD2 PHE A 56 7.277 -6.178 -8.343 1.00 0.00 C ATOM 774 CE1 PHE A 56 6.192 -7.357 -6.095 1.00 0.00 C ATOM 775 CE2 PHE A 56 6.438 -5.452 -7.519 1.00 0.00 C ATOM 776 CZ PHE A 56 5.894 -6.042 -6.395 1.00 0.00 C ATOM 0 H PHE A 56 8.981 -10.352 -7.688 1.00 0.00 H new ATOM 0 HA PHE A 56 10.602 -8.667 -9.131 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.630 -7.743 -9.885 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.018 -9.234 -9.198 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.262 -9.106 -6.685 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.699 -5.712 -9.221 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.770 -7.821 -5.216 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.208 -4.423 -7.754 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.237 -5.476 -5.752 1.00 0.00 H new ATOM 786 N PHE A 57 10.472 -6.233 -8.051 1.00 0.00 N ATOM 787 CA PHE A 57 10.872 -5.040 -7.313 1.00 0.00 C ATOM 788 C PHE A 57 9.998 -3.848 -7.692 1.00 0.00 C ATOM 789 O PHE A 57 9.730 -3.612 -8.870 1.00 0.00 O ATOM 790 CB PHE A 57 12.343 -4.716 -7.584 1.00 0.00 C ATOM 791 CG PHE A 57 13.290 -5.775 -7.098 1.00 0.00 C ATOM 792 CD1 PHE A 57 13.397 -6.985 -7.765 1.00 0.00 C ATOM 793 CD2 PHE A 57 14.072 -5.562 -5.975 1.00 0.00 C ATOM 794 CE1 PHE A 57 14.267 -7.962 -7.319 1.00 0.00 C ATOM 795 CE2 PHE A 57 14.944 -6.535 -5.525 1.00 0.00 C ATOM 796 CZ PHE A 57 15.043 -7.737 -6.199 1.00 0.00 C ATOM 0 H PHE A 57 10.356 -6.089 -9.054 1.00 0.00 H new ATOM 0 HA PHE A 57 10.742 -5.240 -6.249 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.485 -4.578 -8.656 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.592 -3.769 -7.105 1.00 0.00 H new ATOM 0 HD1 PHE A 57 12.794 -7.166 -8.643 1.00 0.00 H new ATOM 0 HD2 PHE A 57 13.999 -4.624 -5.445 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.340 -8.902 -7.846 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.547 -6.356 -4.647 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.725 -8.498 -5.851 1.00 0.00 H new ATOM 806 N GLU A 58 9.558 -3.100 -6.685 1.00 0.00 N ATOM 807 CA GLU A 58 8.714 -1.933 -6.913 1.00 0.00 C ATOM 808 C GLU A 58 9.560 -0.678 -7.103 1.00 0.00 C ATOM 809 O GLU A 58 10.202 -0.200 -6.166 1.00 0.00 O ATOM 810 CB GLU A 58 7.748 -1.738 -5.742 1.00 0.00 C ATOM 811 CG GLU A 58 6.903 -0.481 -5.853 1.00 0.00 C ATOM 812 CD GLU A 58 6.337 -0.038 -4.518 1.00 0.00 C ATOM 813 OE1 GLU A 58 5.384 -0.685 -4.035 1.00 0.00 O ATOM 814 OE2 GLU A 58 6.847 0.953 -3.956 1.00 0.00 O ATOM 0 H GLU A 58 9.772 -3.281 -5.704 1.00 0.00 H new ATOM 0 HA GLU A 58 8.140 -2.104 -7.824 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.089 -2.604 -5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.318 -1.701 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.508 0.323 -6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.084 -0.659 -6.550 1.00 0.00 H new ATOM 821 N LEU A 59 9.558 -0.149 -8.321 1.00 0.00 N ATOM 822 CA LEU A 59 10.325 1.051 -8.636 1.00 0.00 C ATOM 823 C LEU A 59 9.481 2.046 -9.426 1.00 0.00 C ATOM 824 O LEU A 59 9.254 1.870 -10.623 1.00 0.00 O ATOM 825 CB LEU A 59 11.579 0.685 -9.431 1.00 0.00 C ATOM 826 CG LEU A 59 12.603 1.804 -9.624 1.00 0.00 C ATOM 827 CD1 LEU A 59 13.612 1.807 -8.486 1.00 0.00 C ATOM 828 CD2 LEU A 59 13.308 1.656 -10.964 1.00 0.00 C ATOM 0 H LEU A 59 9.033 -0.532 -9.107 1.00 0.00 H new ATOM 0 HA LEU A 59 10.621 1.519 -7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.072 -0.148 -8.930 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.270 0.329 -10.414 1.00 0.00 H new ATOM 0 HG LEU A 59 12.076 2.758 -9.617 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.333 2.610 -8.641 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.093 1.962 -7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.134 0.851 -8.460 1.00 0.00 H new ATOM 0 HD21 LEU A 59 14.033 2.461 -11.084 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.822 0.696 -11.000 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.574 1.705 -11.769 1.00 0.00 H new ATOM 840 N ASP A 60 9.020 3.092 -8.748 1.00 0.00 N ATOM 841 CA ASP A 60 8.204 4.118 -9.388 1.00 0.00 C ATOM 842 C ASP A 60 6.860 3.546 -9.828 1.00 0.00 C ATOM 843 O ASP A 60 6.347 3.888 -10.892 1.00 0.00 O ATOM 844 CB ASP A 60 8.940 4.709 -10.591 1.00 0.00 C ATOM 845 CG ASP A 60 8.231 5.919 -11.166 1.00 0.00 C ATOM 846 OD1 ASP A 60 7.832 6.803 -10.378 1.00 0.00 O ATOM 847 OD2 ASP A 60 8.075 5.984 -12.403 1.00 0.00 O ATOM 0 H ASP A 60 9.197 3.252 -7.756 1.00 0.00 H new ATOM 0 HA ASP A 60 8.021 4.909 -8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.950 4.991 -10.293 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.037 3.947 -11.364 1.00 0.00 H new ATOM 852 N GLY A 61 6.295 2.671 -9.001 1.00 0.00 N ATOM 853 CA GLY A 61 5.016 2.065 -9.323 1.00 0.00 C ATOM 854 C GLY A 61 5.079 1.209 -10.573 1.00 0.00 C ATOM 855 O GLY A 61 4.115 1.141 -11.335 1.00 0.00 O ATOM 0 H GLY A 61 6.700 2.371 -8.114 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.686 1.453 -8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.270 2.848 -9.460 1.00 0.00 H new ATOM 859 N ARG A 62 6.217 0.556 -10.784 1.00 0.00 N ATOM 860 CA ARG A 62 6.402 -0.297 -11.952 1.00 0.00 C ATOM 861 C ARG A 62 7.263 -1.509 -11.608 1.00 0.00 C ATOM 862 O ARG A 62 8.356 -1.388 -11.053 1.00 0.00 O ATOM 863 CB ARG A 62 7.048 0.494 -13.091 1.00 0.00 C ATOM 864 CG ARG A 62 6.044 1.198 -13.989 1.00 0.00 C ATOM 865 CD ARG A 62 6.660 1.571 -15.328 1.00 0.00 C ATOM 866 NE ARG A 62 6.807 0.412 -16.204 1.00 0.00 N ATOM 867 CZ ARG A 62 6.871 0.495 -17.529 1.00 0.00 C ATOM 868 NH1 ARG A 62 6.801 1.677 -18.126 1.00 0.00 N ATOM 869 NH2 ARG A 62 7.005 -0.605 -18.258 1.00 0.00 N ATOM 0 H ARG A 62 7.024 0.601 -10.162 1.00 0.00 H new ATOM 0 HA ARG A 62 5.421 -0.648 -12.274 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.727 1.235 -12.668 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.651 -0.183 -13.696 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.183 0.550 -14.151 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.678 2.097 -13.493 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.037 2.319 -15.818 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.636 2.027 -15.164 1.00 0.00 H new ATOM 0 HE ARG A 62 6.864 -0.512 -15.776 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.698 2.525 -17.568 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.850 1.738 -19.143 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.059 -1.516 -17.802 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.054 -0.540 -19.275 1.00 0.00 H new ATOM 883 N PRO A 63 6.761 -2.707 -11.944 1.00 0.00 N ATOM 884 CA PRO A 63 7.468 -3.964 -11.681 1.00 0.00 C ATOM 885 C PRO A 63 8.705 -4.128 -12.557 1.00 0.00 C ATOM 886 O PRO A 63 8.608 -4.172 -13.783 1.00 0.00 O ATOM 887 CB PRO A 63 6.427 -5.034 -12.020 1.00 0.00 C ATOM 888 CG PRO A 63 5.514 -4.377 -12.997 1.00 0.00 C ATOM 889 CD PRO A 63 5.465 -2.926 -12.608 1.00 0.00 C ATOM 0 HA PRO A 63 7.837 -4.017 -10.657 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.895 -5.920 -12.449 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.888 -5.358 -11.130 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.883 -4.495 -14.016 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.520 -4.824 -12.964 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.345 -2.281 -13.478 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.630 -2.717 -11.939 1.00 0.00 H new ATOM 897 N PHE A 64 9.868 -4.218 -11.919 1.00 0.00 N ATOM 898 CA PHE A 64 11.125 -4.376 -12.641 1.00 0.00 C ATOM 899 C PHE A 64 11.886 -5.602 -12.144 1.00 0.00 C ATOM 900 O PHE A 64 11.497 -6.233 -11.161 1.00 0.00 O ATOM 901 CB PHE A 64 11.990 -3.125 -12.482 1.00 0.00 C ATOM 902 CG PHE A 64 11.482 -1.942 -13.255 1.00 0.00 C ATOM 903 CD1 PHE A 64 11.768 -1.805 -14.604 1.00 0.00 C ATOM 904 CD2 PHE A 64 10.719 -0.967 -12.633 1.00 0.00 C ATOM 905 CE1 PHE A 64 11.301 -0.717 -15.319 1.00 0.00 C ATOM 906 CE2 PHE A 64 10.250 0.122 -13.343 1.00 0.00 C ATOM 907 CZ PHE A 64 10.542 0.248 -14.687 1.00 0.00 C ATOM 0 H PHE A 64 9.966 -4.184 -10.904 1.00 0.00 H new ATOM 0 HA PHE A 64 10.894 -4.517 -13.697 1.00 0.00 H new ATOM 0 HB2 PHE A 64 12.044 -2.862 -11.425 1.00 0.00 H new ATOM 0 HB3 PHE A 64 13.006 -3.352 -12.806 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.362 -2.556 -15.103 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.488 -1.059 -11.582 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.530 -0.622 -16.370 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.655 0.875 -12.847 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.177 1.099 -15.242 1.00 0.00 H new ATOM 917 N CYS A 65 12.975 -5.933 -12.831 1.00 0.00 N ATOM 918 CA CYS A 65 13.792 -7.083 -12.462 1.00 0.00 C ATOM 919 C CYS A 65 15.056 -6.640 -11.731 1.00 0.00 C ATOM 920 O CYS A 65 15.762 -5.740 -12.183 1.00 0.00 O ATOM 921 CB CYS A 65 14.165 -7.890 -13.707 1.00 0.00 C ATOM 922 SG CYS A 65 15.491 -7.141 -14.708 1.00 0.00 S ATOM 0 H CYS A 65 13.312 -5.421 -13.646 1.00 0.00 H new ATOM 0 HA CYS A 65 13.208 -7.713 -11.791 1.00 0.00 H new ATOM 0 HB2 CYS A 65 14.476 -8.889 -13.400 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.278 -8.009 -14.329 1.00 0.00 H new ATOM 927 N GLU A 66 15.333 -7.279 -10.599 1.00 0.00 N ATOM 928 CA GLU A 66 16.511 -6.950 -9.806 1.00 0.00 C ATOM 929 C GLU A 66 17.629 -6.405 -10.691 1.00 0.00 C ATOM 930 O GLU A 66 18.130 -5.302 -10.470 1.00 0.00 O ATOM 931 CB GLU A 66 17.003 -8.184 -9.047 1.00 0.00 C ATOM 932 CG GLU A 66 17.961 -7.860 -7.913 1.00 0.00 C ATOM 933 CD GLU A 66 18.206 -9.044 -6.998 1.00 0.00 C ATOM 934 OE1 GLU A 66 18.673 -10.090 -7.496 1.00 0.00 O ATOM 935 OE2 GLU A 66 17.930 -8.926 -5.786 1.00 0.00 O ATOM 0 H GLU A 66 14.758 -8.027 -10.211 1.00 0.00 H new ATOM 0 HA GLU A 66 16.230 -6.179 -9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.143 -8.718 -8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 66 17.497 -8.858 -9.747 1.00 0.00 H new ATOM 0 HG2 GLU A 66 18.911 -7.525 -8.330 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.560 -7.032 -7.329 1.00 0.00 H new ATOM 942 N LEU A 67 18.015 -7.186 -11.694 1.00 0.00 N ATOM 943 CA LEU A 67 19.073 -6.784 -12.613 1.00 0.00 C ATOM 944 C LEU A 67 18.965 -5.300 -12.952 1.00 0.00 C ATOM 945 O LEU A 67 19.897 -4.530 -12.717 1.00 0.00 O ATOM 946 CB LEU A 67 19.007 -7.617 -13.894 1.00 0.00 C ATOM 947 CG LEU A 67 19.789 -7.073 -15.090 1.00 0.00 C ATOM 948 CD1 LEU A 67 21.215 -7.602 -15.081 1.00 0.00 C ATOM 949 CD2 LEU A 67 19.092 -7.436 -16.393 1.00 0.00 C ATOM 0 H LEU A 67 17.611 -8.101 -11.891 1.00 0.00 H new ATOM 0 HA LEU A 67 20.031 -6.958 -12.123 1.00 0.00 H new ATOM 0 HB2 LEU A 67 19.374 -8.619 -13.671 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.961 -7.718 -14.185 1.00 0.00 H new ATOM 0 HG LEU A 67 19.826 -5.986 -15.011 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.756 -7.204 -15.939 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.713 -7.291 -14.162 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.200 -8.691 -15.135 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.663 -7.041 -17.233 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.023 -8.520 -16.479 1.00 0.00 H new ATOM 0 HD23 LEU A 67 18.090 -7.007 -16.401 1.00 0.00 H new ATOM 961 N HIS A 68 17.822 -4.906 -13.503 1.00 0.00 N ATOM 962 CA HIS A 68 17.591 -3.514 -13.872 1.00 0.00 C ATOM 963 C HIS A 68 17.298 -2.667 -12.637 1.00 0.00 C ATOM 964 O HIS A 68 17.915 -1.623 -12.428 1.00 0.00 O ATOM 965 CB HIS A 68 16.430 -3.412 -14.862 1.00 0.00 C ATOM 966 CG HIS A 68 16.850 -3.550 -16.293 1.00 0.00 C ATOM 967 ND1 HIS A 68 16.232 -4.407 -17.179 1.00 0.00 N ATOM 968 CD2 HIS A 68 17.831 -2.933 -16.991 1.00 0.00 C ATOM 969 CE1 HIS A 68 16.816 -4.312 -18.360 1.00 0.00 C ATOM 970 NE2 HIS A 68 17.790 -3.424 -18.273 1.00 0.00 N ATOM 0 H HIS A 68 17.041 -5.531 -13.704 1.00 0.00 H new ATOM 0 HA HIS A 68 18.496 -3.134 -14.346 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.697 -4.185 -14.631 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.933 -2.451 -14.729 1.00 0.00 H new ATOM 0 HD2 HIS A 68 18.519 -2.192 -16.611 1.00 0.00 H new ATOM 0 HE1 HIS A 68 16.543 -4.866 -19.246 1.00 0.00 H new ATOM 0 HE2 HIS A 68 18.411 -3.148 -19.034 1.00 0.00 H new ATOM 978 N TYR A 69 16.352 -3.123 -11.824 1.00 0.00 N ATOM 979 CA TYR A 69 15.974 -2.405 -10.612 1.00 0.00 C ATOM 980 C TYR A 69 17.178 -1.690 -10.006 1.00 0.00 C ATOM 981 O TYR A 69 17.141 -0.483 -9.766 1.00 0.00 O ATOM 982 CB TYR A 69 15.372 -3.371 -9.589 1.00 0.00 C ATOM 983 CG TYR A 69 15.185 -2.761 -8.218 1.00 0.00 C ATOM 984 CD1 TYR A 69 14.108 -1.925 -7.950 1.00 0.00 C ATOM 985 CD2 TYR A 69 16.085 -3.020 -7.192 1.00 0.00 C ATOM 986 CE1 TYR A 69 13.933 -1.365 -6.699 1.00 0.00 C ATOM 987 CE2 TYR A 69 15.917 -2.465 -5.938 1.00 0.00 C ATOM 988 CZ TYR A 69 14.840 -1.639 -5.697 1.00 0.00 C ATOM 989 OH TYR A 69 14.670 -1.083 -4.449 1.00 0.00 O ATOM 0 H TYR A 69 15.833 -3.987 -11.982 1.00 0.00 H new ATOM 0 HA TYR A 69 15.227 -1.658 -10.880 1.00 0.00 H new ATOM 0 HB2 TYR A 69 14.407 -3.721 -9.956 1.00 0.00 H new ATOM 0 HB3 TYR A 69 16.017 -4.245 -9.504 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.396 -1.709 -8.733 1.00 0.00 H new ATOM 0 HD2 TYR A 69 16.930 -3.666 -7.378 1.00 0.00 H new ATOM 0 HE1 TYR A 69 13.091 -0.717 -6.507 1.00 0.00 H new ATOM 0 HE2 TYR A 69 16.625 -2.677 -5.151 1.00 0.00 H new ATOM 0 HH TYR A 69 15.395 -1.377 -3.858 1.00 0.00 H new ATOM 999 N HIS A 70 18.244 -2.444 -9.759 1.00 0.00 N ATOM 1000 CA HIS A 70 19.460 -1.884 -9.182 1.00 0.00 C ATOM 1001 C HIS A 70 20.094 -0.869 -10.129 1.00 0.00 C ATOM 1002 O HIS A 70 20.336 0.279 -9.755 1.00 0.00 O ATOM 1003 CB HIS A 70 20.460 -2.996 -8.865 1.00 0.00 C ATOM 1004 CG HIS A 70 20.084 -3.816 -7.669 1.00 0.00 C ATOM 1005 ND1 HIS A 70 20.408 -3.456 -6.378 1.00 0.00 N ATOM 1006 CD2 HIS A 70 19.406 -4.984 -7.573 1.00 0.00 C ATOM 1007 CE1 HIS A 70 19.947 -4.367 -5.540 1.00 0.00 C ATOM 1008 NE2 HIS A 70 19.335 -5.305 -6.240 1.00 0.00 N ATOM 0 H HIS A 70 18.290 -3.445 -9.950 1.00 0.00 H new ATOM 0 HA HIS A 70 19.191 -1.374 -8.257 1.00 0.00 H new ATOM 0 HB2 HIS A 70 20.549 -3.651 -9.731 1.00 0.00 H new ATOM 0 HB3 HIS A 70 21.442 -2.554 -8.698 1.00 0.00 H new ATOM 0 HD2 HIS A 70 18.997 -5.557 -8.392 1.00 0.00 H new ATOM 0 HE1 HIS A 70 20.053 -4.348 -4.465 1.00 0.00 H new ATOM 0 HE2 HIS A 70 18.883 -6.133 -5.853 1.00 0.00 H new ATOM 1016 N HIS A 71 20.361 -1.301 -11.358 1.00 0.00 N ATOM 1017 CA HIS A 71 20.967 -0.430 -12.359 1.00 0.00 C ATOM 1018 C HIS A 71 20.245 0.913 -12.420 1.00 0.00 C ATOM 1019 O HIS A 71 20.852 1.964 -12.213 1.00 0.00 O ATOM 1020 CB HIS A 71 20.938 -1.100 -13.733 1.00 0.00 C ATOM 1021 CG HIS A 71 21.508 -0.250 -14.826 1.00 0.00 C ATOM 1022 ND1 HIS A 71 20.947 -0.164 -16.083 1.00 0.00 N ATOM 1023 CD2 HIS A 71 22.595 0.557 -14.845 1.00 0.00 C ATOM 1024 CE1 HIS A 71 21.665 0.657 -16.828 1.00 0.00 C ATOM 1025 NE2 HIS A 71 22.671 1.109 -16.100 1.00 0.00 N ATOM 0 H HIS A 71 20.167 -2.248 -11.684 1.00 0.00 H new ATOM 0 HA HIS A 71 22.003 -0.253 -12.071 1.00 0.00 H new ATOM 0 HB2 HIS A 71 21.495 -2.036 -13.684 1.00 0.00 H new ATOM 0 HB3 HIS A 71 19.908 -1.355 -13.982 1.00 0.00 H new ATOM 0 HD2 HIS A 71 23.276 0.734 -14.025 1.00 0.00 H new ATOM 0 HE1 HIS A 71 21.464 0.915 -17.857 1.00 0.00 H new ATOM 0 HE2 HIS A 71 23.387 1.762 -16.418 1.00 0.00 H new ATOM 1033 N ARG A 72 18.948 0.869 -12.705 1.00 0.00 N ATOM 1034 CA ARG A 72 18.145 2.082 -12.795 1.00 0.00 C ATOM 1035 C ARG A 72 18.479 3.042 -11.656 1.00 0.00 C ATOM 1036 O ARG A 72 18.850 4.192 -11.890 1.00 0.00 O ATOM 1037 CB ARG A 72 16.655 1.737 -12.763 1.00 0.00 C ATOM 1038 CG ARG A 72 16.184 0.960 -13.981 1.00 0.00 C ATOM 1039 CD ARG A 72 14.687 0.696 -13.929 1.00 0.00 C ATOM 1040 NE ARG A 72 13.909 1.925 -14.059 1.00 0.00 N ATOM 1041 CZ ARG A 72 13.590 2.473 -15.226 1.00 0.00 C ATOM 1042 NH1 ARG A 72 13.980 1.904 -16.358 1.00 0.00 N ATOM 1043 NH2 ARG A 72 12.880 3.593 -15.262 1.00 0.00 N ATOM 0 H ARG A 72 18.431 0.007 -12.877 1.00 0.00 H new ATOM 0 HA ARG A 72 18.378 2.571 -13.741 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.445 1.153 -11.867 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.079 2.659 -12.685 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.425 1.518 -14.886 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.720 0.013 -14.039 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.413 0.007 -14.728 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.438 0.207 -12.987 1.00 0.00 H new ATOM 0 HE ARG A 72 13.593 2.388 -13.207 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.527 1.043 -16.334 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.734 2.327 -17.253 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.579 4.034 -14.393 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.635 4.013 -16.159 1.00 0.00 H new ATOM 1057 N ARG A 73 18.345 2.560 -10.425 1.00 0.00 N ATOM 1058 CA ARG A 73 18.632 3.376 -9.250 1.00 0.00 C ATOM 1059 C ARG A 73 19.938 4.144 -9.427 1.00 0.00 C ATOM 1060 O ARG A 73 19.996 5.351 -9.200 1.00 0.00 O ATOM 1061 CB ARG A 73 18.710 2.497 -8.000 1.00 0.00 C ATOM 1062 CG ARG A 73 17.350 2.107 -7.444 1.00 0.00 C ATOM 1063 CD ARG A 73 17.483 1.178 -6.248 1.00 0.00 C ATOM 1064 NE ARG A 73 18.061 1.855 -5.090 1.00 0.00 N ATOM 1065 CZ ARG A 73 19.368 1.971 -4.884 1.00 0.00 C ATOM 1066 NH1 ARG A 73 20.228 1.459 -5.753 1.00 0.00 N ATOM 1067 NH2 ARG A 73 19.817 2.602 -3.806 1.00 0.00 N ATOM 0 H ARG A 73 18.040 1.610 -10.215 1.00 0.00 H new ATOM 0 HA ARG A 73 17.821 4.095 -9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 73 19.269 1.592 -8.237 1.00 0.00 H new ATOM 0 HB3 ARG A 73 19.270 3.026 -7.229 1.00 0.00 H new ATOM 0 HG2 ARG A 73 16.805 3.004 -7.150 1.00 0.00 H new ATOM 0 HG3 ARG A 73 16.764 1.618 -8.222 1.00 0.00 H new ATOM 0 HD2 ARG A 73 16.502 0.784 -5.985 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.107 0.326 -6.518 1.00 0.00 H new ATOM 0 HE ARG A 73 17.426 2.261 -4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 73 19.887 0.974 -6.583 1.00 0.00 H new ATOM 0 HH12 ARG A 73 21.231 1.550 -5.592 1.00 0.00 H new ATOM 0 HH21 ARG A 73 19.158 2.998 -3.135 1.00 0.00 H new ATOM 0 HH22 ARG A 73 20.821 2.691 -3.648 1.00 0.00 H new ATOM 1081 N GLY A 74 20.986 3.434 -9.835 1.00 0.00 N ATOM 1082 CA GLY A 74 22.277 4.065 -10.035 1.00 0.00 C ATOM 1083 C GLY A 74 22.228 5.172 -11.069 1.00 0.00 C ATOM 1084 O GLY A 74 21.575 5.036 -12.104 1.00 0.00 O ATOM 0 H GLY A 74 20.963 2.433 -10.030 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.629 4.473 -9.087 1.00 0.00 H new ATOM 0 HA3 GLY A 74 23.001 3.312 -10.347 1.00 0.00 H new ATOM 1088 N SER A 75 22.918 6.273 -10.789 1.00 0.00 N ATOM 1089 CA SER A 75 22.946 7.411 -11.701 1.00 0.00 C ATOM 1090 C SER A 75 23.170 6.950 -13.138 1.00 0.00 C ATOM 1091 O SER A 75 24.273 6.552 -13.509 1.00 0.00 O ATOM 1092 CB SER A 75 24.045 8.393 -11.291 1.00 0.00 C ATOM 1093 OG SER A 75 23.589 9.275 -10.279 1.00 0.00 O ATOM 0 H SER A 75 23.465 6.401 -9.938 1.00 0.00 H new ATOM 0 HA SER A 75 21.980 7.914 -11.646 1.00 0.00 H new ATOM 0 HB2 SER A 75 24.914 7.842 -10.933 1.00 0.00 H new ATOM 0 HB3 SER A 75 24.367 8.967 -12.160 1.00 0.00 H new ATOM 0 HG SER A 75 24.310 9.891 -10.033 1.00 0.00 H new ATOM 1099 N GLY A 76 22.113 7.008 -13.943 1.00 0.00 N ATOM 1100 CA GLY A 76 22.214 6.594 -15.330 1.00 0.00 C ATOM 1101 C GLY A 76 21.692 7.646 -16.288 1.00 0.00 C ATOM 1102 O GLY A 76 21.196 8.697 -15.881 1.00 0.00 O ATOM 0 H GLY A 76 21.189 7.334 -13.659 1.00 0.00 H new ATOM 0 HA2 GLY A 76 23.256 6.377 -15.566 1.00 0.00 H new ATOM 0 HA3 GLY A 76 21.655 5.669 -15.471 1.00 0.00 H new ATOM 1106 N PRO A 77 21.802 7.368 -17.596 1.00 0.00 N ATOM 1107 CA PRO A 77 21.343 8.286 -18.642 1.00 0.00 C ATOM 1108 C PRO A 77 19.823 8.395 -18.693 1.00 0.00 C ATOM 1109 O PRO A 77 19.155 7.588 -19.339 1.00 0.00 O ATOM 1110 CB PRO A 77 21.878 7.653 -19.929 1.00 0.00 C ATOM 1111 CG PRO A 77 22.015 6.205 -19.610 1.00 0.00 C ATOM 1112 CD PRO A 77 22.382 6.134 -18.154 1.00 0.00 C ATOM 0 HA PRO A 77 21.694 9.304 -18.473 1.00 0.00 H new ATOM 0 HB2 PRO A 77 21.194 7.812 -20.762 1.00 0.00 H new ATOM 0 HB3 PRO A 77 22.836 8.088 -20.216 1.00 0.00 H new ATOM 0 HG2 PRO A 77 21.084 5.673 -19.804 1.00 0.00 H new ATOM 0 HG3 PRO A 77 22.782 5.740 -20.229 1.00 0.00 H new ATOM 0 HD2 PRO A 77 21.969 5.245 -17.678 1.00 0.00 H new ATOM 0 HD3 PRO A 77 23.462 6.098 -18.013 1.00 0.00 H new ATOM 1120 N SER A 78 19.283 9.398 -18.009 1.00 0.00 N ATOM 1121 CA SER A 78 17.841 9.610 -17.973 1.00 0.00 C ATOM 1122 C SER A 78 17.389 10.470 -19.150 1.00 0.00 C ATOM 1123 O SER A 78 16.542 10.060 -19.944 1.00 0.00 O ATOM 1124 CB SER A 78 17.433 10.273 -16.656 1.00 0.00 C ATOM 1125 OG SER A 78 16.024 10.289 -16.508 1.00 0.00 O ATOM 0 H SER A 78 19.823 10.077 -17.472 1.00 0.00 H new ATOM 0 HA SER A 78 17.354 8.638 -18.047 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.883 9.737 -15.821 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.817 11.293 -16.624 1.00 0.00 H new ATOM 0 HG SER A 78 15.789 10.716 -15.658 1.00 0.00 H new ATOM 1131 N SER A 79 17.961 11.665 -19.255 1.00 0.00 N ATOM 1132 CA SER A 79 17.616 12.586 -20.331 1.00 0.00 C ATOM 1133 C SER A 79 18.463 12.316 -21.571 1.00 0.00 C ATOM 1134 O SER A 79 19.587 11.823 -21.473 1.00 0.00 O ATOM 1135 CB SER A 79 17.808 14.033 -19.874 1.00 0.00 C ATOM 1136 OG SER A 79 16.657 14.512 -19.199 1.00 0.00 O ATOM 0 H SER A 79 18.666 12.018 -18.608 1.00 0.00 H new ATOM 0 HA SER A 79 16.568 12.429 -20.587 1.00 0.00 H new ATOM 0 HB2 SER A 79 18.673 14.098 -19.214 1.00 0.00 H new ATOM 0 HB3 SER A 79 18.017 14.665 -20.737 1.00 0.00 H new ATOM 0 HG SER A 79 16.806 15.438 -18.916 1.00 0.00 H new ATOM 1142 N GLY A 80 17.916 12.642 -22.738 1.00 0.00 N ATOM 1143 CA GLY A 80 18.634 12.427 -23.980 1.00 0.00 C ATOM 1144 C GLY A 80 18.452 13.569 -24.960 1.00 0.00 C ATOM 1145 O GLY A 80 19.445 14.140 -25.407 1.00 0.00 O ATOM 0 H GLY A 80 16.988 13.051 -22.845 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.695 12.302 -23.766 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.290 11.500 -24.439 1.00 0.00 H new TER 1149 GLY A 80 HETATM 1150 ZN ZN A 201 -3.105 -7.778 -18.086 1.00 0.00 ZN HETATM 1151 ZN ZN A 401 14.591 -5.871 -16.431 1.00 0.00 ZN