USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 596 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 Set 1.1: A 2 SER OG : rot -170:sc= 0 USER MOD Set 1.2: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.136 (180deg=-0.138) USER MOD Single : A 4 SER OG : rot 180:sc= -0.052 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0569 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.479 USER MOD Single : A 36 GLN : amide:sc= -2.94! C(o=-2.9!,f=-2.1!) USER MOD Single : A 43 HIS : no HD1:sc= -3.35! K(o=-3.3!,f=-1.5) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 62:sc= -1.02! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.757 K(o=-0.76,f=-0.079) USER MOD Single : A 76 GLN : amide:sc= -2.38! K(o=-2.4!,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.750 -6.762 7.115 1.00 0.00 N ATOM 2 CA MET A 1 -25.615 -7.911 6.175 1.00 0.00 C ATOM 3 C MET A 1 -25.531 -7.392 4.738 1.00 0.00 C ATOM 4 O MET A 1 -25.490 -8.155 3.793 1.00 0.00 O ATOM 5 CB MET A 1 -26.830 -8.830 6.315 1.00 0.00 C ATOM 6 CG MET A 1 -26.582 -9.840 7.434 1.00 0.00 C ATOM 7 SD MET A 1 -27.776 -11.194 7.301 1.00 0.00 S ATOM 8 CE MET A 1 -29.130 -10.390 8.194 1.00 0.00 C ATOM 0 H1 MET A 1 -25.926 -7.119 8.076 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.873 -6.203 7.108 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.546 -6.162 6.818 1.00 0.00 H new ATOM 0 HA MET A 1 -24.708 -8.467 6.412 1.00 0.00 H new ATOM 0 HB2 MET A 1 -27.721 -8.241 6.534 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.015 -9.351 5.376 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.566 -10.229 7.368 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.675 -9.353 8.405 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.988 -11.060 8.234 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.807 -10.153 9.208 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.411 -9.471 7.679 1.00 0.00 H new ATOM 20 N SER A 2 -25.507 -6.098 4.562 1.00 0.00 N ATOM 21 CA SER A 2 -25.427 -5.534 3.186 1.00 0.00 C ATOM 22 C SER A 2 -26.402 -6.277 2.270 1.00 0.00 C ATOM 23 O SER A 2 -26.065 -7.280 1.673 1.00 0.00 O ATOM 24 CB SER A 2 -24.005 -5.694 2.649 1.00 0.00 C ATOM 25 OG SER A 2 -23.829 -4.846 1.522 1.00 0.00 O ATOM 0 H SER A 2 -25.539 -5.408 5.313 1.00 0.00 H new ATOM 0 HA SER A 2 -25.688 -4.476 3.214 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.281 -5.442 3.424 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.825 -6.732 2.369 1.00 0.00 H new ATOM 0 HG SER A 2 -22.980 -5.059 1.081 1.00 0.00 H new ATOM 31 N ARG A 3 -27.608 -5.792 2.153 1.00 0.00 N ATOM 32 CA ARG A 3 -28.602 -6.470 1.275 1.00 0.00 C ATOM 33 C ARG A 3 -27.933 -6.867 -0.043 1.00 0.00 C ATOM 34 O ARG A 3 -27.659 -6.036 -0.886 1.00 0.00 O ATOM 35 CB ARG A 3 -29.764 -5.518 0.989 1.00 0.00 C ATOM 36 CG ARG A 3 -30.378 -5.046 2.309 1.00 0.00 C ATOM 37 CD ARG A 3 -31.826 -4.613 2.073 1.00 0.00 C ATOM 38 NE ARG A 3 -32.016 -3.223 2.571 1.00 0.00 N ATOM 39 CZ ARG A 3 -32.616 -2.336 1.825 1.00 0.00 C ATOM 40 NH1 ARG A 3 -33.910 -2.187 1.901 1.00 0.00 N ATOM 41 NH2 ARG A 3 -31.923 -1.598 1.001 1.00 0.00 N ATOM 0 H ARG A 3 -27.947 -4.955 2.628 1.00 0.00 H new ATOM 0 HA ARG A 3 -28.978 -7.363 1.775 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -29.413 -4.662 0.413 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -30.519 -6.021 0.384 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -30.343 -5.848 3.046 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -29.800 -4.215 2.714 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -32.064 -4.666 1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -32.508 -5.291 2.586 1.00 0.00 H new ATOM 0 HE ARG A 3 -31.677 -2.963 3.497 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -34.453 -2.764 2.544 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -34.379 -1.494 1.318 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -30.912 -1.714 0.940 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -32.393 -0.905 0.418 1.00 0.00 H new ATOM 55 N SER A 4 -27.669 -8.132 -0.229 1.00 0.00 N ATOM 56 CA SER A 4 -27.022 -8.578 -1.493 1.00 0.00 C ATOM 57 C SER A 4 -25.599 -8.008 -1.567 1.00 0.00 C ATOM 58 O SER A 4 -25.425 -6.816 -1.731 1.00 0.00 O ATOM 59 CB SER A 4 -27.833 -8.065 -2.684 1.00 0.00 C ATOM 60 OG SER A 4 -29.219 -8.165 -2.386 1.00 0.00 O ATOM 0 H SER A 4 -27.874 -8.874 0.440 1.00 0.00 H new ATOM 0 HA SER A 4 -26.981 -9.667 -1.517 1.00 0.00 H new ATOM 0 HB2 SER A 4 -27.569 -7.030 -2.899 1.00 0.00 H new ATOM 0 HB3 SER A 4 -27.598 -8.646 -3.576 1.00 0.00 H new ATOM 0 HG SER A 4 -29.742 -7.835 -3.147 1.00 0.00 H new ATOM 66 N PRO A 5 -24.622 -8.872 -1.447 1.00 0.00 N ATOM 67 CA PRO A 5 -23.205 -8.471 -1.502 1.00 0.00 C ATOM 68 C PRO A 5 -22.774 -8.236 -2.952 1.00 0.00 C ATOM 69 O PRO A 5 -21.670 -7.808 -3.220 1.00 0.00 O ATOM 70 CB PRO A 5 -22.468 -9.667 -0.896 1.00 0.00 C ATOM 71 CG PRO A 5 -23.409 -10.884 -1.054 1.00 0.00 C ATOM 72 CD PRO A 5 -24.830 -10.321 -1.246 1.00 0.00 C ATOM 0 HA PRO A 5 -23.000 -7.541 -0.971 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -21.521 -9.839 -1.407 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -22.236 -9.489 0.154 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -23.115 -11.493 -1.909 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -23.362 -11.526 -0.175 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -25.326 -10.775 -2.104 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -25.457 -10.516 -0.376 1.00 0.00 H new ATOM 80 N ASP A 6 -23.639 -8.512 -3.890 1.00 0.00 N ATOM 81 CA ASP A 6 -23.282 -8.302 -5.320 1.00 0.00 C ATOM 82 C ASP A 6 -23.196 -6.801 -5.607 1.00 0.00 C ATOM 83 O ASP A 6 -22.523 -6.370 -6.521 1.00 0.00 O ATOM 84 CB ASP A 6 -24.355 -8.930 -6.212 1.00 0.00 C ATOM 85 CG ASP A 6 -24.139 -10.443 -6.287 1.00 0.00 C ATOM 86 OD1 ASP A 6 -23.806 -11.025 -5.269 1.00 0.00 O ATOM 87 OD2 ASP A 6 -24.311 -10.993 -7.362 1.00 0.00 O ATOM 0 H ASP A 6 -24.578 -8.874 -3.726 1.00 0.00 H new ATOM 0 HA ASP A 6 -22.319 -8.769 -5.527 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -25.346 -8.713 -5.813 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -24.311 -8.496 -7.211 1.00 0.00 H new ATOM 92 N ALA A 7 -23.875 -6.001 -4.829 1.00 0.00 N ATOM 93 CA ALA A 7 -23.835 -4.529 -5.054 1.00 0.00 C ATOM 94 C ALA A 7 -22.861 -3.887 -4.062 1.00 0.00 C ATOM 95 O ALA A 7 -21.966 -4.532 -3.552 1.00 0.00 O ATOM 96 CB ALA A 7 -25.233 -3.945 -4.848 1.00 0.00 C ATOM 0 H ALA A 7 -24.456 -6.305 -4.047 1.00 0.00 H new ATOM 0 HA ALA A 7 -23.502 -4.325 -6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -25.205 -2.868 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -25.926 -4.402 -5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -25.566 -4.148 -3.830 1.00 0.00 H new ATOM 102 N LYS A 8 -23.027 -2.622 -3.784 1.00 0.00 N ATOM 103 CA LYS A 8 -22.111 -1.942 -2.826 1.00 0.00 C ATOM 104 C LYS A 8 -20.754 -1.709 -3.495 1.00 0.00 C ATOM 105 O LYS A 8 -19.773 -2.346 -3.167 1.00 0.00 O ATOM 106 CB LYS A 8 -21.924 -2.821 -1.587 1.00 0.00 C ATOM 107 CG LYS A 8 -22.161 -1.986 -0.328 1.00 0.00 C ATOM 108 CD LYS A 8 -20.829 -1.756 0.390 1.00 0.00 C ATOM 109 CE LYS A 8 -21.026 -1.918 1.898 1.00 0.00 C ATOM 110 NZ LYS A 8 -20.736 -3.326 2.288 1.00 0.00 N ATOM 0 H LYS A 8 -23.758 -2.031 -4.179 1.00 0.00 H new ATOM 0 HA LYS A 8 -22.540 -0.984 -2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -22.619 -3.660 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -20.918 -3.240 -1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -22.614 -1.030 -0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -22.860 -2.497 0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.084 -2.466 0.032 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.451 -0.758 0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.367 -1.237 2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -22.048 -1.657 2.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -20.870 -3.437 3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.382 -3.966 1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -19.753 -3.560 2.040 1.00 0.00 H new ATOM 124 N GLU A 9 -20.691 -0.801 -4.428 1.00 0.00 N ATOM 125 CA GLU A 9 -19.397 -0.528 -5.116 1.00 0.00 C ATOM 126 C GLU A 9 -19.018 0.941 -4.919 1.00 0.00 C ATOM 127 O GLU A 9 -18.346 1.535 -5.739 1.00 0.00 O ATOM 128 CB GLU A 9 -19.545 -0.823 -6.612 1.00 0.00 C ATOM 129 CG GLU A 9 -18.191 -1.240 -7.191 1.00 0.00 C ATOM 130 CD GLU A 9 -17.802 -0.282 -8.319 1.00 0.00 C ATOM 131 OE1 GLU A 9 -18.430 -0.342 -9.364 1.00 0.00 O ATOM 132 OE2 GLU A 9 -16.884 0.495 -8.120 1.00 0.00 O ATOM 0 H GLU A 9 -21.479 -0.236 -4.744 1.00 0.00 H new ATOM 0 HA GLU A 9 -18.617 -1.164 -4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -20.277 -1.616 -6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -19.917 0.060 -7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -17.430 -1.228 -6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -18.244 -2.261 -7.569 1.00 0.00 H new ATOM 139 N ASP A 10 -19.447 1.535 -3.838 1.00 0.00 N ATOM 140 CA ASP A 10 -19.115 2.967 -3.593 1.00 0.00 C ATOM 141 C ASP A 10 -17.705 3.089 -3.002 1.00 0.00 C ATOM 142 O ASP A 10 -16.882 3.815 -3.524 1.00 0.00 O ATOM 143 CB ASP A 10 -20.132 3.568 -2.621 1.00 0.00 C ATOM 144 CG ASP A 10 -21.016 4.570 -3.363 1.00 0.00 C ATOM 145 OD1 ASP A 10 -21.027 4.531 -4.583 1.00 0.00 O ATOM 146 OD2 ASP A 10 -21.668 5.360 -2.701 1.00 0.00 O ATOM 0 H ASP A 10 -20.013 1.090 -3.115 1.00 0.00 H new ATOM 0 HA ASP A 10 -19.150 3.507 -4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -20.745 2.779 -2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -19.616 4.062 -1.798 1.00 0.00 H new ATOM 151 N PRO A 11 -17.467 2.379 -1.927 1.00 0.00 N ATOM 152 CA PRO A 11 -16.162 2.397 -1.240 1.00 0.00 C ATOM 153 C PRO A 11 -15.154 1.517 -1.985 1.00 0.00 C ATOM 154 O PRO A 11 -15.336 1.189 -3.141 1.00 0.00 O ATOM 155 CB PRO A 11 -16.474 1.818 0.142 1.00 0.00 C ATOM 156 CG PRO A 11 -17.773 0.991 -0.015 1.00 0.00 C ATOM 157 CD PRO A 11 -18.468 1.494 -1.293 1.00 0.00 C ATOM 0 HA PRO A 11 -15.718 3.391 -1.189 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -15.655 1.191 0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.606 2.613 0.876 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -17.547 -0.073 -0.091 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -18.420 1.119 0.853 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -18.741 0.668 -1.949 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -19.386 2.034 -1.061 1.00 0.00 H new ATOM 165 N VAL A 12 -14.091 1.134 -1.332 1.00 0.00 N ATOM 166 CA VAL A 12 -13.072 0.278 -2.002 1.00 0.00 C ATOM 167 C VAL A 12 -13.050 -1.103 -1.342 1.00 0.00 C ATOM 168 O VAL A 12 -13.322 -1.244 -0.166 1.00 0.00 O ATOM 169 CB VAL A 12 -11.691 0.928 -1.871 1.00 0.00 C ATOM 170 CG1 VAL A 12 -10.819 0.514 -3.058 1.00 0.00 C ATOM 171 CG2 VAL A 12 -11.840 2.452 -1.859 1.00 0.00 C ATOM 0 H VAL A 12 -13.884 1.377 -0.363 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.325 0.172 -3.057 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.224 0.601 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.836 0.976 -2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.711 -0.571 -3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.288 0.841 -3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.857 2.913 -1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.308 2.779 -2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.462 2.750 -1.015 1.00 0.00 H new ATOM 181 N GLU A 13 -12.727 -2.124 -2.089 1.00 0.00 N ATOM 182 CA GLU A 13 -12.687 -3.493 -1.504 1.00 0.00 C ATOM 183 C GLU A 13 -11.292 -4.091 -1.700 1.00 0.00 C ATOM 184 O GLU A 13 -10.764 -4.114 -2.794 1.00 0.00 O ATOM 185 CB GLU A 13 -13.725 -4.379 -2.198 1.00 0.00 C ATOM 186 CG GLU A 13 -15.122 -3.795 -1.982 1.00 0.00 C ATOM 187 CD GLU A 13 -16.161 -4.691 -2.658 1.00 0.00 C ATOM 188 OE1 GLU A 13 -15.971 -5.012 -3.820 1.00 0.00 O ATOM 189 OE2 GLU A 13 -17.129 -5.041 -2.003 1.00 0.00 O ATOM 0 H GLU A 13 -12.489 -2.068 -3.079 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.913 -3.438 -0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.508 -4.445 -3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.678 -5.393 -1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.334 -3.716 -0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.174 -2.787 -2.393 1.00 0.00 H new ATOM 196 N CYS A 14 -10.691 -4.571 -0.647 1.00 0.00 N ATOM 197 CA CYS A 14 -9.329 -5.164 -0.765 1.00 0.00 C ATOM 198 C CYS A 14 -9.258 -6.065 -2.003 1.00 0.00 C ATOM 199 O CYS A 14 -9.935 -7.071 -2.067 1.00 0.00 O ATOM 200 CB CYS A 14 -9.033 -6.010 0.475 1.00 0.00 C ATOM 201 SG CYS A 14 -7.314 -6.574 0.415 1.00 0.00 S ATOM 0 H CYS A 14 -11.086 -4.578 0.294 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.599 -4.360 -0.854 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.205 -5.425 1.378 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.708 -6.865 0.516 1.00 0.00 H new ATOM 206 N PRO A 15 -8.428 -5.695 -2.945 1.00 0.00 N ATOM 207 CA PRO A 15 -8.245 -6.476 -4.180 1.00 0.00 C ATOM 208 C PRO A 15 -7.379 -7.707 -3.891 1.00 0.00 C ATOM 209 O PRO A 15 -7.134 -8.528 -4.753 1.00 0.00 O ATOM 210 CB PRO A 15 -7.528 -5.504 -5.119 1.00 0.00 C ATOM 211 CG PRO A 15 -6.847 -4.449 -4.215 1.00 0.00 C ATOM 212 CD PRO A 15 -7.600 -4.474 -2.873 1.00 0.00 C ATOM 0 HA PRO A 15 -9.178 -6.848 -4.604 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.792 -6.026 -5.730 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.234 -5.033 -5.803 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.792 -4.683 -4.073 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.896 -3.459 -4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.910 -4.510 -2.030 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.215 -3.583 -2.744 1.00 0.00 H new ATOM 220 N LEU A 16 -6.917 -7.837 -2.675 1.00 0.00 N ATOM 221 CA LEU A 16 -6.070 -9.007 -2.308 1.00 0.00 C ATOM 222 C LEU A 16 -6.941 -10.082 -1.658 1.00 0.00 C ATOM 223 O LEU A 16 -6.762 -11.263 -1.882 1.00 0.00 O ATOM 224 CB LEU A 16 -4.998 -8.566 -1.309 1.00 0.00 C ATOM 225 CG LEU A 16 -3.789 -8.005 -2.056 1.00 0.00 C ATOM 226 CD1 LEU A 16 -3.026 -9.148 -2.731 1.00 0.00 C ATOM 227 CD2 LEU A 16 -4.256 -7.006 -3.117 1.00 0.00 C ATOM 0 H LEU A 16 -7.092 -7.178 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.598 -9.406 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.404 -7.810 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.695 -9.411 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.133 -7.499 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.164 -8.746 -3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.687 -9.856 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.683 -9.657 -3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.391 -6.608 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.916 -7.508 -3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.794 -6.189 -2.636 1.00 0.00 H new ATOM 239 N CYS A 17 -7.887 -9.681 -0.853 1.00 0.00 N ATOM 240 CA CYS A 17 -8.774 -10.677 -0.189 1.00 0.00 C ATOM 241 C CYS A 17 -10.228 -10.246 -0.377 1.00 0.00 C ATOM 242 O CYS A 17 -11.104 -10.631 0.370 1.00 0.00 O ATOM 243 CB CYS A 17 -8.433 -10.765 1.305 1.00 0.00 C ATOM 244 SG CYS A 17 -9.053 -9.301 2.174 1.00 0.00 S ATOM 0 H CYS A 17 -8.084 -8.706 -0.627 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.626 -11.661 -0.635 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.873 -11.665 1.734 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.354 -10.845 1.435 1.00 0.00 H new ATOM 249 N MET A 18 -10.473 -9.450 -1.384 1.00 0.00 N ATOM 250 CA MET A 18 -11.854 -8.963 -1.681 1.00 0.00 C ATOM 251 C MET A 18 -12.656 -8.764 -0.391 1.00 0.00 C ATOM 252 O MET A 18 -13.628 -9.447 -0.137 1.00 0.00 O ATOM 253 CB MET A 18 -12.572 -9.971 -2.581 1.00 0.00 C ATOM 254 CG MET A 18 -12.660 -11.323 -1.874 1.00 0.00 C ATOM 255 SD MET A 18 -11.203 -12.315 -2.283 1.00 0.00 S ATOM 256 CE MET A 18 -11.987 -13.937 -2.125 1.00 0.00 C ATOM 0 H MET A 18 -9.759 -9.109 -2.027 1.00 0.00 H new ATOM 0 HA MET A 18 -11.777 -8.002 -2.190 1.00 0.00 H new ATOM 0 HB2 MET A 18 -13.572 -9.610 -2.822 1.00 0.00 H new ATOM 0 HB3 MET A 18 -12.036 -10.077 -3.524 1.00 0.00 H new ATOM 0 HG2 MET A 18 -12.723 -11.178 -0.796 1.00 0.00 H new ATOM 0 HG3 MET A 18 -13.566 -11.846 -2.179 1.00 0.00 H new ATOM 0 HE1 MET A 18 -11.256 -14.717 -2.338 1.00 0.00 H new ATOM 0 HE2 MET A 18 -12.364 -14.061 -1.110 1.00 0.00 H new ATOM 0 HE3 MET A 18 -12.814 -14.012 -2.831 1.00 0.00 H new ATOM 266 N GLU A 19 -12.266 -7.819 0.415 1.00 0.00 N ATOM 267 CA GLU A 19 -13.013 -7.561 1.678 1.00 0.00 C ATOM 268 C GLU A 19 -13.450 -6.094 1.715 1.00 0.00 C ATOM 269 O GLU A 19 -12.958 -5.284 0.955 1.00 0.00 O ATOM 270 CB GLU A 19 -12.112 -7.854 2.877 1.00 0.00 C ATOM 271 CG GLU A 19 -12.508 -9.196 3.495 1.00 0.00 C ATOM 272 CD GLU A 19 -12.026 -9.252 4.945 1.00 0.00 C ATOM 273 OE1 GLU A 19 -10.992 -8.670 5.229 1.00 0.00 O ATOM 274 OE2 GLU A 19 -12.700 -9.876 5.749 1.00 0.00 O ATOM 0 H GLU A 19 -11.462 -7.213 0.255 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.890 -8.207 1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.068 -7.879 2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.203 -7.059 3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.590 -9.322 3.455 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.071 -10.015 2.923 1.00 0.00 H new ATOM 281 N PRO A 20 -14.362 -5.798 2.603 1.00 0.00 N ATOM 282 CA PRO A 20 -14.890 -4.432 2.772 1.00 0.00 C ATOM 283 C PRO A 20 -13.878 -3.563 3.526 1.00 0.00 C ATOM 284 O PRO A 20 -13.455 -3.890 4.618 1.00 0.00 O ATOM 285 CB PRO A 20 -16.167 -4.640 3.593 1.00 0.00 C ATOM 286 CG PRO A 20 -16.005 -5.999 4.314 1.00 0.00 C ATOM 287 CD PRO A 20 -14.951 -6.794 3.523 1.00 0.00 C ATOM 0 HA PRO A 20 -15.081 -3.920 1.829 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -16.302 -3.832 4.312 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.047 -4.644 2.949 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.687 -5.854 5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.953 -6.536 4.345 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.196 -7.222 4.183 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.403 -7.622 2.977 1.00 0.00 H new ATOM 295 N LEU A 21 -13.483 -2.461 2.949 1.00 0.00 N ATOM 296 CA LEU A 21 -12.495 -1.576 3.630 1.00 0.00 C ATOM 297 C LEU A 21 -13.224 -0.628 4.584 1.00 0.00 C ATOM 298 O LEU A 21 -14.435 -0.536 4.580 1.00 0.00 O ATOM 299 CB LEU A 21 -11.739 -0.757 2.581 1.00 0.00 C ATOM 300 CG LEU A 21 -10.593 -1.590 2.007 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.001 -0.875 0.792 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.509 -1.766 3.073 1.00 0.00 C ATOM 0 H LEU A 21 -13.801 -2.135 2.036 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.792 -2.188 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.417 -0.455 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.349 0.156 3.030 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.969 -2.567 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.184 -1.469 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.773 -0.748 0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.624 0.102 1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.691 -2.360 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.133 -0.788 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.930 -2.275 3.940 1.00 0.00 H new ATOM 314 N GLU A 22 -12.493 0.080 5.401 1.00 0.00 N ATOM 315 CA GLU A 22 -13.139 1.024 6.354 1.00 0.00 C ATOM 316 C GLU A 22 -12.821 2.461 5.937 1.00 0.00 C ATOM 317 O GLU A 22 -12.700 2.764 4.766 1.00 0.00 O ATOM 318 CB GLU A 22 -12.607 0.766 7.766 1.00 0.00 C ATOM 319 CG GLU A 22 -12.520 -0.742 8.010 1.00 0.00 C ATOM 320 CD GLU A 22 -12.418 -1.010 9.513 1.00 0.00 C ATOM 321 OE1 GLU A 22 -12.880 -0.178 10.276 1.00 0.00 O ATOM 322 OE2 GLU A 22 -11.881 -2.045 9.875 1.00 0.00 O ATOM 0 H GLU A 22 -11.475 0.045 5.449 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.219 0.875 6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.624 1.222 7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.264 1.227 8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.399 -1.239 7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.652 -1.155 7.496 1.00 0.00 H new ATOM 329 N ILE A 23 -12.686 3.351 6.882 1.00 0.00 N ATOM 330 CA ILE A 23 -12.379 4.766 6.531 1.00 0.00 C ATOM 331 C ILE A 23 -10.865 4.950 6.402 1.00 0.00 C ATOM 332 O ILE A 23 -10.341 5.120 5.320 1.00 0.00 O ATOM 333 CB ILE A 23 -12.910 5.691 7.627 1.00 0.00 C ATOM 334 CG1 ILE A 23 -14.439 5.625 7.651 1.00 0.00 C ATOM 335 CG2 ILE A 23 -12.469 7.127 7.340 1.00 0.00 C ATOM 336 CD1 ILE A 23 -14.995 6.270 6.381 1.00 0.00 C ATOM 0 H ILE A 23 -12.775 3.160 7.880 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.856 5.012 5.582 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.515 5.375 8.593 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.768 4.588 7.720 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.823 6.140 8.532 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.847 7.787 8.121 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.380 7.176 7.319 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.865 7.443 6.375 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -16.084 6.224 6.396 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.676 7.311 6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.621 5.735 5.508 1.00 0.00 H new ATOM 348 N ASP A 24 -10.158 4.922 7.498 1.00 0.00 N ATOM 349 CA ASP A 24 -8.681 5.102 7.437 1.00 0.00 C ATOM 350 C ASP A 24 -8.040 3.875 6.786 1.00 0.00 C ATOM 351 O ASP A 24 -6.876 3.885 6.434 1.00 0.00 O ATOM 352 CB ASP A 24 -8.131 5.273 8.855 1.00 0.00 C ATOM 353 CG ASP A 24 -8.489 4.044 9.691 1.00 0.00 C ATOM 354 OD1 ASP A 24 -7.801 3.044 9.563 1.00 0.00 O ATOM 355 OD2 ASP A 24 -9.444 4.123 10.445 1.00 0.00 O ATOM 0 H ASP A 24 -10.540 4.782 8.433 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.448 5.987 6.846 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.049 5.403 8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.547 6.171 9.312 1.00 0.00 H new ATOM 360 N ASP A 25 -8.786 2.818 6.622 1.00 0.00 N ATOM 361 CA ASP A 25 -8.216 1.594 5.994 1.00 0.00 C ATOM 362 C ASP A 25 -8.202 1.757 4.471 1.00 0.00 C ATOM 363 O ASP A 25 -7.512 1.045 3.769 1.00 0.00 O ATOM 364 CB ASP A 25 -9.068 0.380 6.371 1.00 0.00 C ATOM 365 CG ASP A 25 -8.603 -0.173 7.721 1.00 0.00 C ATOM 366 OD1 ASP A 25 -7.488 0.131 8.110 1.00 0.00 O ATOM 367 OD2 ASP A 25 -9.369 -0.893 8.339 1.00 0.00 O ATOM 0 H ASP A 25 -9.766 2.749 6.896 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.197 1.446 6.351 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.119 0.663 6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.984 -0.389 5.603 1.00 0.00 H new ATOM 372 N ILE A 26 -8.958 2.688 3.955 1.00 0.00 N ATOM 373 CA ILE A 26 -8.982 2.890 2.478 1.00 0.00 C ATOM 374 C ILE A 26 -7.734 3.668 2.046 1.00 0.00 C ATOM 375 O ILE A 26 -7.004 3.248 1.172 1.00 0.00 O ATOM 376 CB ILE A 26 -10.243 3.671 2.087 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.455 2.737 2.145 1.00 0.00 C ATOM 378 CG2 ILE A 26 -10.094 4.216 0.664 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.738 3.567 2.241 1.00 0.00 C ATOM 0 H ILE A 26 -9.558 3.316 4.490 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.991 1.921 1.979 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.382 4.501 2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.484 2.106 1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.374 2.073 3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.992 4.770 0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.230 4.879 0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.954 3.387 -0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.600 2.901 2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.709 4.179 3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.820 4.213 1.367 1.00 0.00 H new ATOM 391 N ASN A 27 -7.484 4.799 2.650 1.00 0.00 N ATOM 392 CA ASN A 27 -6.283 5.598 2.266 1.00 0.00 C ATOM 393 C ASN A 27 -5.015 4.882 2.736 1.00 0.00 C ATOM 394 O ASN A 27 -3.913 5.296 2.436 1.00 0.00 O ATOM 395 CB ASN A 27 -6.357 6.982 2.915 1.00 0.00 C ATOM 396 CG ASN A 27 -7.041 7.958 1.956 1.00 0.00 C ATOM 397 OD1 ASN A 27 -6.399 8.817 1.384 1.00 0.00 O ATOM 398 ND2 ASN A 27 -8.327 7.861 1.754 1.00 0.00 N ATOM 0 H ASN A 27 -8.057 5.204 3.390 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.256 5.706 1.182 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.911 6.927 3.852 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.355 7.336 3.158 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.793 8.506 1.116 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.866 7.140 2.234 1.00 0.00 H new ATOM 405 N PHE A 28 -5.157 3.810 3.466 1.00 0.00 N ATOM 406 CA PHE A 28 -3.950 3.078 3.942 1.00 0.00 C ATOM 407 C PHE A 28 -3.510 2.078 2.870 1.00 0.00 C ATOM 408 O PHE A 28 -4.085 1.018 2.722 1.00 0.00 O ATOM 409 CB PHE A 28 -4.276 2.327 5.235 1.00 0.00 C ATOM 410 CG PHE A 28 -3.033 1.621 5.725 1.00 0.00 C ATOM 411 CD1 PHE A 28 -2.725 0.339 5.255 1.00 0.00 C ATOM 412 CD2 PHE A 28 -2.188 2.251 6.646 1.00 0.00 C ATOM 413 CE1 PHE A 28 -1.570 -0.313 5.705 1.00 0.00 C ATOM 414 CE2 PHE A 28 -1.033 1.599 7.096 1.00 0.00 C ATOM 415 CZ PHE A 28 -0.724 0.318 6.625 1.00 0.00 C ATOM 0 H PHE A 28 -6.051 3.411 3.752 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.147 3.790 4.133 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.637 3.023 5.993 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.074 1.605 5.059 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.378 -0.147 4.545 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.427 3.240 7.010 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.332 -1.302 5.342 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.381 2.085 7.807 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.167 -0.184 6.971 1.00 0.00 H new ATOM 425 N PHE A 29 -2.493 2.407 2.120 1.00 0.00 N ATOM 426 CA PHE A 29 -2.019 1.474 1.057 1.00 0.00 C ATOM 427 C PHE A 29 -0.523 1.211 1.234 1.00 0.00 C ATOM 428 O PHE A 29 0.203 2.057 1.718 1.00 0.00 O ATOM 429 CB PHE A 29 -2.260 2.096 -0.323 1.00 0.00 C ATOM 430 CG PHE A 29 -2.096 3.596 -0.241 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.847 4.154 0.068 1.00 0.00 C ATOM 432 CD2 PHE A 29 -3.198 4.428 -0.469 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.706 5.546 0.149 1.00 0.00 C ATOM 434 CE2 PHE A 29 -3.056 5.817 -0.389 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.811 6.377 -0.079 1.00 0.00 C ATOM 0 H PHE A 29 -1.971 3.280 2.197 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.568 0.536 1.136 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.557 1.683 -1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.262 1.849 -0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.004 3.513 0.243 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.159 3.997 -0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.255 5.978 0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.907 6.458 -0.566 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.702 7.450 -0.016 1.00 0.00 H new ATOM 445 N PRO A 30 -0.105 0.044 0.822 1.00 0.00 N ATOM 446 CA PRO A 30 1.304 -0.365 0.901 1.00 0.00 C ATOM 447 C PRO A 30 2.094 0.277 -0.240 1.00 0.00 C ATOM 448 O PRO A 30 3.306 0.254 -0.256 1.00 0.00 O ATOM 449 CB PRO A 30 1.248 -1.887 0.744 1.00 0.00 C ATOM 450 CG PRO A 30 -0.088 -2.200 0.028 1.00 0.00 C ATOM 451 CD PRO A 30 -0.999 -0.978 0.241 1.00 0.00 C ATOM 0 HA PRO A 30 1.795 -0.062 1.826 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.095 -2.249 0.162 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.294 -2.380 1.715 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.075 -2.381 -1.034 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.546 -3.100 0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.435 -0.638 -0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.827 -1.210 0.911 1.00 0.00 H new ATOM 459 N CYS A 31 1.413 0.857 -1.194 1.00 0.00 N ATOM 460 CA CYS A 31 2.124 1.506 -2.332 1.00 0.00 C ATOM 461 C CYS A 31 1.487 2.867 -2.621 1.00 0.00 C ATOM 462 O CYS A 31 0.375 3.141 -2.216 1.00 0.00 O ATOM 463 CB CYS A 31 2.024 0.622 -3.576 1.00 0.00 C ATOM 464 SG CYS A 31 3.256 1.156 -4.791 1.00 0.00 S ATOM 0 H CYS A 31 0.395 0.909 -1.233 1.00 0.00 H new ATOM 0 HA CYS A 31 3.173 1.642 -2.071 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.189 -0.422 -3.309 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.023 0.687 -4.003 1.00 0.00 H new ATOM 469 N THR A 32 2.186 3.724 -3.313 1.00 0.00 N ATOM 470 CA THR A 32 1.623 5.071 -3.618 1.00 0.00 C ATOM 471 C THR A 32 0.863 5.041 -4.947 1.00 0.00 C ATOM 472 O THR A 32 -0.054 5.809 -5.161 1.00 0.00 O ATOM 473 CB THR A 32 2.764 6.089 -3.708 1.00 0.00 C ATOM 474 OG1 THR A 32 4.001 5.437 -3.451 1.00 0.00 O ATOM 475 CG2 THR A 32 2.544 7.196 -2.676 1.00 0.00 C ATOM 0 H THR A 32 3.122 3.551 -3.680 1.00 0.00 H new ATOM 0 HA THR A 32 0.934 5.355 -2.823 1.00 0.00 H new ATOM 0 HB THR A 32 2.784 6.525 -4.707 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.732 6.087 -3.510 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.356 7.920 -2.740 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.596 7.696 -2.875 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.523 6.762 -1.676 1.00 0.00 H new ATOM 483 N CYS A 33 1.237 4.174 -5.850 1.00 0.00 N ATOM 484 CA CYS A 33 0.528 4.126 -7.162 1.00 0.00 C ATOM 485 C CYS A 33 -0.989 4.117 -6.932 1.00 0.00 C ATOM 486 O CYS A 33 -1.733 4.731 -7.671 1.00 0.00 O ATOM 487 CB CYS A 33 0.956 2.880 -7.947 1.00 0.00 C ATOM 488 SG CYS A 33 0.351 1.391 -7.121 1.00 0.00 S ATOM 0 H CYS A 33 1.996 3.502 -5.738 1.00 0.00 H new ATOM 0 HA CYS A 33 0.791 5.010 -7.743 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.563 2.927 -8.963 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.043 2.846 -8.027 1.00 0.00 H new ATOM 493 N GLY A 34 -1.461 3.448 -5.908 1.00 0.00 N ATOM 494 CA GLY A 34 -2.933 3.441 -5.649 1.00 0.00 C ATOM 495 C GLY A 34 -3.414 2.042 -5.244 1.00 0.00 C ATOM 496 O GLY A 34 -4.461 1.893 -4.647 1.00 0.00 O ATOM 0 H GLY A 34 -0.897 2.913 -5.248 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.170 4.154 -4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.465 3.767 -6.543 1.00 0.00 H new ATOM 500 N TYR A 35 -2.676 1.017 -5.561 1.00 0.00 N ATOM 501 CA TYR A 35 -3.120 -0.355 -5.185 1.00 0.00 C ATOM 502 C TYR A 35 -3.218 -0.440 -3.661 1.00 0.00 C ATOM 503 O TYR A 35 -2.245 -0.696 -2.979 1.00 0.00 O ATOM 504 CB TYR A 35 -2.108 -1.386 -5.697 1.00 0.00 C ATOM 505 CG TYR A 35 -2.829 -2.670 -6.035 1.00 0.00 C ATOM 506 CD1 TYR A 35 -3.747 -2.691 -7.093 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.582 -3.836 -5.300 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.417 -3.877 -7.415 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.253 -5.022 -5.622 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.171 -5.042 -6.680 1.00 0.00 C ATOM 511 OH TYR A 35 -4.833 -6.210 -6.996 1.00 0.00 O ATOM 0 H TYR A 35 -1.789 1.067 -6.062 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.092 -0.564 -5.631 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.594 -1.001 -6.578 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.346 -1.572 -4.940 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.938 -1.792 -7.660 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.874 -3.821 -4.485 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.124 -3.893 -8.231 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.063 -5.921 -5.055 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.545 -6.924 -6.389 1.00 0.00 H new ATOM 521 N GLN A 36 -4.383 -0.210 -3.119 1.00 0.00 N ATOM 522 CA GLN A 36 -4.541 -0.259 -1.636 1.00 0.00 C ATOM 523 C GLN A 36 -5.117 -1.614 -1.219 1.00 0.00 C ATOM 524 O GLN A 36 -5.827 -2.257 -1.967 1.00 0.00 O ATOM 525 CB GLN A 36 -5.492 0.856 -1.171 1.00 0.00 C ATOM 526 CG GLN A 36 -5.651 1.911 -2.272 1.00 0.00 C ATOM 527 CD GLN A 36 -6.451 3.099 -1.736 1.00 0.00 C ATOM 528 OE1 GLN A 36 -5.980 4.220 -1.750 1.00 0.00 O ATOM 529 NE2 GLN A 36 -7.651 2.904 -1.262 1.00 0.00 N ATOM 0 H GLN A 36 -5.233 0.010 -3.639 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.563 -0.119 -1.175 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.465 0.433 -0.920 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.103 1.321 -0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.671 2.245 -2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.159 1.478 -3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.048 1.964 -1.249 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.192 3.691 -0.904 1.00 0.00 H new ATOM 538 N ILE A 37 -4.817 -2.051 -0.026 1.00 0.00 N ATOM 539 CA ILE A 37 -5.350 -3.360 0.446 1.00 0.00 C ATOM 540 C ILE A 37 -5.755 -3.244 1.918 1.00 0.00 C ATOM 541 O ILE A 37 -5.725 -2.177 2.498 1.00 0.00 O ATOM 542 CB ILE A 37 -4.278 -4.440 0.291 1.00 0.00 C ATOM 543 CG1 ILE A 37 -3.098 -4.126 1.212 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.795 -4.479 -1.160 1.00 0.00 C ATOM 545 CD1 ILE A 37 -2.307 -5.407 1.482 1.00 0.00 C ATOM 0 H ILE A 37 -4.225 -1.557 0.642 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.221 -3.632 -0.150 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.700 -5.408 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.453 -3.378 0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.458 -3.703 2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.031 -5.249 -1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.635 -4.706 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.374 -3.510 -1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.466 -5.184 2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.956 -6.141 1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.935 -5.810 0.540 1.00 0.00 H new ATOM 557 N CYS A 38 -6.132 -4.334 2.526 1.00 0.00 N ATOM 558 CA CYS A 38 -6.538 -4.293 3.955 1.00 0.00 C ATOM 559 C CYS A 38 -5.314 -4.563 4.837 1.00 0.00 C ATOM 560 O CYS A 38 -4.305 -5.057 4.376 1.00 0.00 O ATOM 561 CB CYS A 38 -7.633 -5.341 4.203 1.00 0.00 C ATOM 562 SG CYS A 38 -6.911 -7.000 4.275 1.00 0.00 S ATOM 0 H CYS A 38 -6.176 -5.255 2.091 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.936 -3.309 4.204 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.151 -5.122 5.137 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.377 -5.295 3.407 1.00 0.00 H new ATOM 567 N ARG A 39 -5.387 -4.230 6.097 1.00 0.00 N ATOM 568 CA ARG A 39 -4.218 -4.454 6.997 1.00 0.00 C ATOM 569 C ARG A 39 -3.992 -5.954 7.212 1.00 0.00 C ATOM 570 O ARG A 39 -2.968 -6.366 7.719 1.00 0.00 O ATOM 571 CB ARG A 39 -4.479 -3.780 8.344 1.00 0.00 C ATOM 572 CG ARG A 39 -3.466 -2.653 8.555 1.00 0.00 C ATOM 573 CD ARG A 39 -4.062 -1.597 9.487 1.00 0.00 C ATOM 574 NE ARG A 39 -4.743 -2.274 10.626 1.00 0.00 N ATOM 575 CZ ARG A 39 -5.192 -1.571 11.629 1.00 0.00 C ATOM 576 NH1 ARG A 39 -4.538 -1.554 12.758 1.00 0.00 N ATOM 577 NH2 ARG A 39 -6.296 -0.887 11.504 1.00 0.00 N ATOM 0 H ARG A 39 -6.204 -3.813 6.542 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.328 -4.026 6.535 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.493 -3.382 8.373 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.400 -4.510 9.149 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.546 -3.052 8.982 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.204 -2.202 7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.277 -0.938 9.858 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.771 -0.974 8.943 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.858 -3.287 10.622 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.676 -2.090 12.856 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.889 -1.004 13.542 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.808 -0.902 10.622 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.647 -0.337 12.288 1.00 0.00 H new ATOM 591 N PHE A 40 -4.933 -6.774 6.834 1.00 0.00 N ATOM 592 CA PHE A 40 -4.757 -8.244 7.025 1.00 0.00 C ATOM 593 C PHE A 40 -3.961 -8.820 5.852 1.00 0.00 C ATOM 594 O PHE A 40 -3.332 -9.854 5.963 1.00 0.00 O ATOM 595 CB PHE A 40 -6.130 -8.919 7.086 1.00 0.00 C ATOM 596 CG PHE A 40 -6.025 -10.204 7.872 1.00 0.00 C ATOM 597 CD1 PHE A 40 -5.440 -10.200 9.144 1.00 0.00 C ATOM 598 CD2 PHE A 40 -6.517 -11.397 7.331 1.00 0.00 C ATOM 599 CE1 PHE A 40 -5.344 -11.391 9.873 1.00 0.00 C ATOM 600 CE2 PHE A 40 -6.422 -12.588 8.061 1.00 0.00 C ATOM 601 CZ PHE A 40 -5.836 -12.586 9.332 1.00 0.00 C ATOM 0 H PHE A 40 -5.814 -6.493 6.403 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.219 -8.426 7.955 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.854 -8.252 7.554 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.491 -9.125 6.078 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.063 -9.278 9.562 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.970 -11.399 6.351 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.890 -11.389 10.853 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.801 -13.509 7.643 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.763 -13.505 9.895 1.00 0.00 H new ATOM 611 N CYS A 41 -3.983 -8.157 4.730 1.00 0.00 N ATOM 612 CA CYS A 41 -3.231 -8.658 3.547 1.00 0.00 C ATOM 613 C CYS A 41 -1.822 -8.063 3.560 1.00 0.00 C ATOM 614 O CYS A 41 -0.892 -8.624 3.016 1.00 0.00 O ATOM 615 CB CYS A 41 -3.959 -8.235 2.268 1.00 0.00 C ATOM 616 SG CYS A 41 -5.326 -9.377 1.937 1.00 0.00 S ATOM 0 H CYS A 41 -4.492 -7.286 4.581 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.167 -9.746 3.582 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.339 -7.219 2.373 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.265 -8.230 1.428 1.00 0.00 H new ATOM 621 N TRP A 42 -1.661 -6.924 4.179 1.00 0.00 N ATOM 622 CA TRP A 42 -0.320 -6.278 4.232 1.00 0.00 C ATOM 623 C TRP A 42 0.607 -7.089 5.140 1.00 0.00 C ATOM 624 O TRP A 42 1.809 -7.099 4.968 1.00 0.00 O ATOM 625 CB TRP A 42 -0.468 -4.861 4.789 1.00 0.00 C ATOM 626 CG TRP A 42 0.878 -4.218 4.895 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.641 -3.837 3.846 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.629 -3.873 6.095 1.00 0.00 C ATOM 629 NE1 TRP A 42 2.814 -3.279 4.325 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.853 -3.280 5.706 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.368 -4.017 7.470 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.787 -2.845 6.647 1.00 0.00 C ATOM 633 CZ3 TRP A 42 2.306 -3.580 8.420 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.512 -2.995 8.010 1.00 0.00 C ATOM 0 H TRP A 42 -2.405 -6.412 4.652 1.00 0.00 H new ATOM 0 HA TRP A 42 0.106 -6.237 3.229 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.114 -4.270 4.139 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.945 -4.893 5.769 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.378 -3.950 2.804 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.558 -2.912 3.731 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.442 -4.466 7.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.715 -2.396 6.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.097 -3.696 9.473 1.00 0.00 H new ATOM 0 HH2 TRP A 42 4.228 -2.660 8.746 1.00 0.00 H new ATOM 645 N HIS A 43 0.056 -7.763 6.111 1.00 0.00 N ATOM 646 CA HIS A 43 0.903 -8.569 7.035 1.00 0.00 C ATOM 647 C HIS A 43 1.543 -9.732 6.271 1.00 0.00 C ATOM 648 O HIS A 43 2.661 -10.122 6.542 1.00 0.00 O ATOM 649 CB HIS A 43 0.033 -9.119 8.167 1.00 0.00 C ATOM 650 CG HIS A 43 -0.394 -7.991 9.067 1.00 0.00 C ATOM 651 ND1 HIS A 43 -0.603 -8.168 10.425 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.653 -6.667 8.817 1.00 0.00 C ATOM 653 CE1 HIS A 43 -0.972 -6.979 10.937 1.00 0.00 C ATOM 654 NE2 HIS A 43 -1.018 -6.030 9.999 1.00 0.00 N ATOM 0 H HIS A 43 -0.945 -7.791 6.305 1.00 0.00 H new ATOM 0 HA HIS A 43 1.689 -7.937 7.449 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.843 -9.621 7.756 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.588 -9.863 8.738 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.584 -6.192 7.850 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.203 -6.813 11.979 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -1.267 -5.049 10.122 1.00 0.00 H new ATOM 662 N ARG A 44 0.843 -10.293 5.323 1.00 0.00 N ATOM 663 CA ARG A 44 1.415 -11.434 4.550 1.00 0.00 C ATOM 664 C ARG A 44 2.427 -10.913 3.525 1.00 0.00 C ATOM 665 O ARG A 44 3.586 -11.277 3.545 1.00 0.00 O ATOM 666 CB ARG A 44 0.289 -12.173 3.824 1.00 0.00 C ATOM 667 CG ARG A 44 0.180 -13.598 4.370 1.00 0.00 C ATOM 668 CD ARG A 44 0.007 -13.550 5.889 1.00 0.00 C ATOM 669 NE ARG A 44 -0.361 -14.904 6.390 1.00 0.00 N ATOM 670 CZ ARG A 44 -1.225 -15.631 5.736 1.00 0.00 C ATOM 671 NH1 ARG A 44 -2.401 -15.144 5.447 1.00 0.00 N ATOM 672 NH2 ARG A 44 -0.911 -16.844 5.370 1.00 0.00 N ATOM 0 H ARG A 44 -0.099 -10.012 5.050 1.00 0.00 H new ATOM 0 HA ARG A 44 1.918 -12.116 5.236 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.655 -11.646 3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.487 -12.197 2.752 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.667 -14.110 3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.074 -14.167 4.113 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.931 -13.215 6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.766 -12.829 6.155 1.00 0.00 H new ATOM 0 HE ARG A 44 0.063 -15.263 7.245 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.644 -14.195 5.732 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.077 -15.712 4.936 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.009 -17.223 5.595 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.586 -17.413 4.859 1.00 0.00 H new ATOM 686 N ILE A 45 1.999 -10.069 2.627 1.00 0.00 N ATOM 687 CA ILE A 45 2.938 -9.533 1.600 1.00 0.00 C ATOM 688 C ILE A 45 4.241 -9.088 2.270 1.00 0.00 C ATOM 689 O ILE A 45 5.324 -9.375 1.798 1.00 0.00 O ATOM 690 CB ILE A 45 2.294 -8.336 0.897 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.042 -8.797 0.148 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.286 -7.731 -0.098 1.00 0.00 C ATOM 693 CD1 ILE A 45 -0.035 -7.713 0.235 1.00 0.00 C ATOM 0 H ILE A 45 1.040 -9.727 2.559 1.00 0.00 H new ATOM 0 HA ILE A 45 3.156 -10.313 0.871 1.00 0.00 H new ATOM 0 HB ILE A 45 2.020 -7.586 1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.284 -9.001 -0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.671 -9.728 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.826 -6.879 -0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.179 -7.401 0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.561 -8.481 -0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.927 -8.042 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.284 -7.531 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.338 -6.793 -0.215 1.00 0.00 H new ATOM 705 N ARG A 46 4.148 -8.387 3.367 1.00 0.00 N ATOM 706 CA ARG A 46 5.380 -7.921 4.063 1.00 0.00 C ATOM 707 C ARG A 46 6.346 -9.096 4.247 1.00 0.00 C ATOM 708 O ARG A 46 7.532 -8.978 4.008 1.00 0.00 O ATOM 709 CB ARG A 46 5.006 -7.348 5.433 1.00 0.00 C ATOM 710 CG ARG A 46 5.954 -6.200 5.785 1.00 0.00 C ATOM 711 CD ARG A 46 5.883 -5.126 4.699 1.00 0.00 C ATOM 712 NE ARG A 46 7.228 -4.958 4.079 1.00 0.00 N ATOM 713 CZ ARG A 46 7.852 -3.816 4.170 1.00 0.00 C ATOM 714 NH1 ARG A 46 8.943 -3.722 4.877 1.00 0.00 N ATOM 715 NH2 ARG A 46 7.381 -2.766 3.556 1.00 0.00 N ATOM 0 H ARG A 46 3.271 -8.117 3.812 1.00 0.00 H new ATOM 0 HA ARG A 46 5.862 -7.149 3.464 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.976 -6.992 5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.065 -8.127 6.193 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.682 -5.774 6.751 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.974 -6.572 5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.153 -5.409 3.940 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.548 -4.182 5.128 1.00 0.00 H new ATOM 0 HE ARG A 46 7.661 -5.737 3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.310 -4.542 5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.430 -2.828 4.947 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.525 -2.838 3.005 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.868 -1.873 3.627 1.00 0.00 H new ATOM 729 N THR A 47 5.853 -10.227 4.674 1.00 0.00 N ATOM 730 CA THR A 47 6.751 -11.401 4.877 1.00 0.00 C ATOM 731 C THR A 47 6.579 -12.394 3.726 1.00 0.00 C ATOM 732 O THR A 47 7.472 -12.589 2.924 1.00 0.00 O ATOM 733 CB THR A 47 6.397 -12.090 6.197 1.00 0.00 C ATOM 734 OG1 THR A 47 6.234 -11.110 7.213 1.00 0.00 O ATOM 735 CG2 THR A 47 7.520 -13.052 6.587 1.00 0.00 C ATOM 0 H THR A 47 4.870 -10.389 4.891 1.00 0.00 H new ATOM 0 HA THR A 47 7.786 -11.059 4.905 1.00 0.00 H new ATOM 0 HB THR A 47 5.468 -12.648 6.080 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.006 -11.550 8.058 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.268 -13.543 7.527 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.643 -13.803 5.807 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.450 -12.496 6.705 1.00 0.00 H new ATOM 743 N ASP A 48 5.442 -13.029 3.640 1.00 0.00 N ATOM 744 CA ASP A 48 5.215 -14.015 2.546 1.00 0.00 C ATOM 745 C ASP A 48 5.746 -13.452 1.228 1.00 0.00 C ATOM 746 O ASP A 48 6.446 -14.122 0.492 1.00 0.00 O ATOM 747 CB ASP A 48 3.716 -14.291 2.415 1.00 0.00 C ATOM 748 CG ASP A 48 3.501 -15.724 1.922 1.00 0.00 C ATOM 749 OD1 ASP A 48 4.104 -16.084 0.925 1.00 0.00 O ATOM 750 OD2 ASP A 48 2.735 -16.436 2.551 1.00 0.00 O ATOM 0 H ASP A 48 4.659 -12.907 4.282 1.00 0.00 H new ATOM 0 HA ASP A 48 5.739 -14.942 2.779 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.224 -14.149 3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.265 -13.584 1.719 1.00 0.00 H new ATOM 755 N GLU A 49 5.420 -12.227 0.920 1.00 0.00 N ATOM 756 CA GLU A 49 5.907 -11.625 -0.353 1.00 0.00 C ATOM 757 C GLU A 49 7.155 -10.786 -0.077 1.00 0.00 C ATOM 758 O GLU A 49 7.677 -10.775 1.020 1.00 0.00 O ATOM 759 CB GLU A 49 4.815 -10.732 -0.945 1.00 0.00 C ATOM 760 CG GLU A 49 4.982 -10.661 -2.464 1.00 0.00 C ATOM 761 CD GLU A 49 3.625 -10.871 -3.138 1.00 0.00 C ATOM 762 OE1 GLU A 49 3.249 -12.016 -3.326 1.00 0.00 O ATOM 763 OE2 GLU A 49 2.985 -9.882 -3.457 1.00 0.00 O ATOM 0 H GLU A 49 4.838 -11.617 1.494 1.00 0.00 H new ATOM 0 HA GLU A 49 6.151 -12.419 -1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.831 -11.128 -0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.875 -9.732 -0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.396 -9.694 -2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.688 -11.421 -2.799 1.00 0.00 H new ATOM 770 N ASN A 50 7.637 -10.081 -1.064 1.00 0.00 N ATOM 771 CA ASN A 50 8.849 -9.241 -0.857 1.00 0.00 C ATOM 772 C ASN A 50 8.424 -7.836 -0.432 1.00 0.00 C ATOM 773 O ASN A 50 9.215 -6.913 -0.417 1.00 0.00 O ATOM 774 CB ASN A 50 9.645 -9.159 -2.162 1.00 0.00 C ATOM 775 CG ASN A 50 11.021 -9.797 -1.961 1.00 0.00 C ATOM 776 OD1 ASN A 50 11.120 -10.941 -1.564 1.00 0.00 O ATOM 777 ND2 ASN A 50 12.094 -9.101 -2.220 1.00 0.00 N ATOM 0 H ASN A 50 7.243 -10.051 -2.004 1.00 0.00 H new ATOM 0 HA ASN A 50 9.471 -9.686 -0.081 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.108 -9.671 -2.961 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.756 -8.119 -2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.016 -9.517 -2.089 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.011 -8.141 -2.553 1.00 0.00 H new ATOM 784 N GLY A 51 7.176 -7.665 -0.087 1.00 0.00 N ATOM 785 CA GLY A 51 6.697 -6.320 0.336 1.00 0.00 C ATOM 786 C GLY A 51 6.675 -5.385 -0.874 1.00 0.00 C ATOM 787 O GLY A 51 6.613 -4.178 -0.739 1.00 0.00 O ATOM 0 H GLY A 51 6.468 -8.400 -0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.699 -6.397 0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.350 -5.916 1.110 1.00 0.00 H new ATOM 791 N LEU A 52 6.724 -5.931 -2.059 1.00 0.00 N ATOM 792 CA LEU A 52 6.703 -5.069 -3.272 1.00 0.00 C ATOM 793 C LEU A 52 5.263 -4.906 -3.756 1.00 0.00 C ATOM 794 O LEU A 52 4.370 -5.620 -3.348 1.00 0.00 O ATOM 795 CB LEU A 52 7.537 -5.711 -4.387 1.00 0.00 C ATOM 796 CG LEU A 52 9.032 -5.465 -4.151 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.805 -5.796 -5.429 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.268 -3.996 -3.787 1.00 0.00 C ATOM 0 H LEU A 52 6.777 -6.934 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 52 7.123 -4.095 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.341 -6.782 -4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.243 -5.299 -5.352 1.00 0.00 H new ATOM 0 HG LEU A 52 9.375 -6.099 -3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.869 -5.623 -5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.644 -6.842 -5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.454 -5.160 -6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.332 -3.829 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.924 -3.359 -4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.716 -3.753 -2.879 1.00 0.00 H new ATOM 810 N CYS A 53 5.039 -3.967 -4.628 1.00 0.00 N ATOM 811 CA CYS A 53 3.670 -3.732 -5.160 1.00 0.00 C ATOM 812 C CYS A 53 3.474 -4.564 -6.435 1.00 0.00 C ATOM 813 O CYS A 53 4.249 -4.451 -7.361 1.00 0.00 O ATOM 814 CB CYS A 53 3.522 -2.243 -5.482 1.00 0.00 C ATOM 815 SG CYS A 53 1.960 -1.943 -6.342 1.00 0.00 S ATOM 0 H CYS A 53 5.756 -3.344 -5.000 1.00 0.00 H new ATOM 0 HA CYS A 53 2.921 -4.026 -4.425 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.557 -1.659 -4.562 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.356 -1.913 -6.101 1.00 0.00 H new ATOM 820 N PRO A 54 2.451 -5.380 -6.447 1.00 0.00 N ATOM 821 CA PRO A 54 2.142 -6.242 -7.602 1.00 0.00 C ATOM 822 C PRO A 54 1.422 -5.446 -8.696 1.00 0.00 C ATOM 823 O PRO A 54 1.314 -5.883 -9.825 1.00 0.00 O ATOM 824 CB PRO A 54 1.214 -7.309 -7.014 1.00 0.00 C ATOM 825 CG PRO A 54 0.591 -6.688 -5.739 1.00 0.00 C ATOM 826 CD PRO A 54 1.512 -5.529 -5.317 1.00 0.00 C ATOM 0 HA PRO A 54 3.033 -6.661 -8.069 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.440 -7.588 -7.729 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.768 -8.217 -6.774 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.418 -6.328 -5.937 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.514 -7.430 -4.945 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.946 -4.613 -5.146 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.038 -5.756 -4.390 1.00 0.00 H new ATOM 834 N ALA A 55 0.917 -4.289 -8.368 1.00 0.00 N ATOM 835 CA ALA A 55 0.193 -3.477 -9.387 1.00 0.00 C ATOM 836 C ALA A 55 1.171 -2.563 -10.134 1.00 0.00 C ATOM 837 O ALA A 55 0.890 -2.109 -11.225 1.00 0.00 O ATOM 838 CB ALA A 55 -0.868 -2.619 -8.694 1.00 0.00 C ATOM 0 H ALA A 55 0.974 -3.871 -7.439 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.281 -4.151 -10.101 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.398 -2.025 -9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.576 -3.265 -8.174 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.387 -1.955 -7.975 1.00 0.00 H new ATOM 844 N CYS A 56 2.311 -2.280 -9.563 1.00 0.00 N ATOM 845 CA CYS A 56 3.277 -1.385 -10.266 1.00 0.00 C ATOM 846 C CYS A 56 4.714 -1.721 -9.846 1.00 0.00 C ATOM 847 O CYS A 56 5.612 -0.917 -9.994 1.00 0.00 O ATOM 848 CB CYS A 56 2.941 0.083 -9.933 1.00 0.00 C ATOM 849 SG CYS A 56 3.810 0.631 -8.434 1.00 0.00 S ATOM 0 H CYS A 56 2.613 -2.624 -8.652 1.00 0.00 H new ATOM 0 HA CYS A 56 3.197 -1.534 -11.343 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.218 0.722 -10.772 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.865 0.190 -9.793 1.00 0.00 H new ATOM 854 N ARG A 57 4.935 -2.897 -9.326 1.00 0.00 N ATOM 855 CA ARG A 57 6.312 -3.283 -8.895 1.00 0.00 C ATOM 856 C ARG A 57 6.992 -2.096 -8.205 1.00 0.00 C ATOM 857 O ARG A 57 7.765 -1.375 -8.803 1.00 0.00 O ATOM 858 CB ARG A 57 7.135 -3.701 -10.115 1.00 0.00 C ATOM 859 CG ARG A 57 8.239 -4.667 -9.678 1.00 0.00 C ATOM 860 CD ARG A 57 7.916 -6.076 -10.181 1.00 0.00 C ATOM 861 NE ARG A 57 7.059 -6.778 -9.185 1.00 0.00 N ATOM 862 CZ ARG A 57 7.328 -8.009 -8.846 1.00 0.00 C ATOM 863 NH1 ARG A 57 7.431 -8.931 -9.763 1.00 0.00 N ATOM 864 NH2 ARG A 57 7.494 -8.318 -7.589 1.00 0.00 N ATOM 0 H ARG A 57 4.221 -3.610 -9.180 1.00 0.00 H new ATOM 0 HA ARG A 57 6.246 -4.118 -8.197 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.492 -4.177 -10.855 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.572 -2.823 -10.590 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.200 -4.340 -10.074 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.326 -4.669 -8.591 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.404 -6.022 -11.142 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.837 -6.636 -10.342 1.00 0.00 H new ATOM 0 HE ARG A 57 6.262 -6.297 -8.768 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.301 -8.690 -10.746 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.641 -9.893 -9.497 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.413 -7.597 -6.872 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.704 -9.280 -7.324 1.00 0.00 H new ATOM 878 N LYS A 58 6.707 -1.889 -6.948 1.00 0.00 N ATOM 879 CA LYS A 58 7.333 -0.751 -6.216 1.00 0.00 C ATOM 880 C LYS A 58 7.447 -1.106 -4.729 1.00 0.00 C ATOM 881 O LYS A 58 6.565 -1.728 -4.175 1.00 0.00 O ATOM 882 CB LYS A 58 6.461 0.497 -6.376 1.00 0.00 C ATOM 883 CG LYS A 58 6.983 1.343 -7.539 1.00 0.00 C ATOM 884 CD LYS A 58 6.841 2.827 -7.195 1.00 0.00 C ATOM 885 CE LYS A 58 7.981 3.614 -7.843 1.00 0.00 C ATOM 886 NZ LYS A 58 8.418 4.702 -6.924 1.00 0.00 N ATOM 0 H LYS A 58 6.067 -2.460 -6.396 1.00 0.00 H new ATOM 0 HA LYS A 58 8.326 -0.556 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.426 0.209 -6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.471 1.081 -5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.028 1.103 -7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.426 1.115 -8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.880 3.202 -7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.860 2.964 -6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.817 2.950 -8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.652 4.036 -8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.193 5.238 -7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.619 5.340 -6.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.748 4.289 -6.028 1.00 0.00 H new ATOM 900 N PRO A 59 8.528 -0.697 -4.121 1.00 0.00 N ATOM 901 CA PRO A 59 8.776 -0.968 -2.695 1.00 0.00 C ATOM 902 C PRO A 59 7.868 -0.100 -1.822 1.00 0.00 C ATOM 903 O PRO A 59 7.989 1.109 -1.792 1.00 0.00 O ATOM 904 CB PRO A 59 10.252 -0.605 -2.509 1.00 0.00 C ATOM 905 CG PRO A 59 10.612 0.354 -3.669 1.00 0.00 C ATOM 906 CD PRO A 59 9.588 0.083 -4.788 1.00 0.00 C ATOM 0 HA PRO A 59 8.566 -1.998 -2.407 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.416 -0.126 -1.544 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.878 -1.497 -2.533 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.566 1.393 -3.343 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.628 0.175 -4.020 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.198 1.011 -5.205 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.035 -0.474 -5.612 1.00 0.00 H new ATOM 914 N TYR A 60 6.953 -0.713 -1.117 1.00 0.00 N ATOM 915 CA TYR A 60 6.027 0.071 -0.249 1.00 0.00 C ATOM 916 C TYR A 60 6.805 1.175 0.474 1.00 0.00 C ATOM 917 O TYR A 60 7.959 0.998 0.811 1.00 0.00 O ATOM 918 CB TYR A 60 5.387 -0.859 0.785 1.00 0.00 C ATOM 919 CG TYR A 60 4.674 -2.000 0.088 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.303 -1.884 -1.259 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.379 -3.172 0.795 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.637 -2.940 -1.894 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.715 -4.227 0.158 1.00 0.00 C ATOM 924 CZ TYR A 60 3.344 -4.110 -1.186 1.00 0.00 C ATOM 925 OH TYR A 60 2.686 -5.149 -1.812 1.00 0.00 O ATOM 0 H TYR A 60 6.808 -1.723 -1.105 1.00 0.00 H new ATOM 0 HA TYR A 60 5.250 0.522 -0.867 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.152 -1.253 1.454 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.681 -0.301 1.400 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.530 -0.981 -1.807 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.664 -3.262 1.833 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.350 -2.851 -2.931 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.489 -5.131 0.704 1.00 0.00 H new ATOM 0 HH TYR A 60 3.228 -5.477 -2.560 1.00 0.00 H new ATOM 935 N PRO A 61 6.147 2.288 0.690 1.00 0.00 N ATOM 936 CA PRO A 61 6.753 3.446 1.369 1.00 0.00 C ATOM 937 C PRO A 61 6.769 3.230 2.885 1.00 0.00 C ATOM 938 O PRO A 61 5.820 2.734 3.461 1.00 0.00 O ATOM 939 CB PRO A 61 5.830 4.608 0.992 1.00 0.00 C ATOM 940 CG PRO A 61 4.469 3.978 0.609 1.00 0.00 C ATOM 941 CD PRO A 61 4.742 2.498 0.276 1.00 0.00 C ATOM 0 HA PRO A 61 7.789 3.620 1.077 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.717 5.300 1.826 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.243 5.177 0.159 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.758 4.065 1.431 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.032 4.493 -0.247 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.064 1.836 0.816 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.605 2.297 -0.786 1.00 0.00 H new ATOM 949 N GLU A 62 7.840 3.599 3.534 1.00 0.00 N ATOM 950 CA GLU A 62 7.919 3.417 5.011 1.00 0.00 C ATOM 951 C GLU A 62 8.634 4.618 5.633 1.00 0.00 C ATOM 952 O GLU A 62 8.749 5.666 5.027 1.00 0.00 O ATOM 953 CB GLU A 62 8.699 2.138 5.328 1.00 0.00 C ATOM 954 CG GLU A 62 7.957 0.930 4.754 1.00 0.00 C ATOM 955 CD GLU A 62 7.755 -0.114 5.853 1.00 0.00 C ATOM 956 OE1 GLU A 62 7.178 0.230 6.872 1.00 0.00 O ATOM 957 OE2 GLU A 62 8.183 -1.241 5.660 1.00 0.00 O ATOM 0 H GLU A 62 8.664 4.019 3.104 1.00 0.00 H new ATOM 0 HA GLU A 62 6.913 3.339 5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.702 2.197 4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.815 2.028 6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.993 1.240 4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.524 0.500 3.929 1.00 0.00 H new ATOM 964 N ASP A 63 9.114 4.477 6.840 1.00 0.00 N ATOM 965 CA ASP A 63 9.819 5.611 7.503 1.00 0.00 C ATOM 966 C ASP A 63 8.790 6.623 8.012 1.00 0.00 C ATOM 967 O ASP A 63 8.533 7.622 7.369 1.00 0.00 O ATOM 968 CB ASP A 63 10.755 6.292 6.501 1.00 0.00 C ATOM 969 CG ASP A 63 11.926 6.928 7.252 1.00 0.00 C ATOM 970 OD1 ASP A 63 11.759 8.031 7.745 1.00 0.00 O ATOM 971 OD2 ASP A 63 12.970 6.301 7.322 1.00 0.00 O ATOM 0 H ASP A 63 9.048 3.624 7.396 1.00 0.00 H new ATOM 0 HA ASP A 63 10.403 5.233 8.342 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.124 5.564 5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.213 7.052 5.939 1.00 0.00 H new ATOM 976 N PRO A 64 8.231 6.331 9.158 1.00 0.00 N ATOM 977 CA PRO A 64 7.220 7.193 9.793 1.00 0.00 C ATOM 978 C PRO A 64 7.894 8.386 10.476 1.00 0.00 C ATOM 979 O PRO A 64 7.518 9.524 10.274 1.00 0.00 O ATOM 980 CB PRO A 64 6.562 6.275 10.825 1.00 0.00 C ATOM 981 CG PRO A 64 7.582 5.150 11.121 1.00 0.00 C ATOM 982 CD PRO A 64 8.555 5.111 9.929 1.00 0.00 C ATOM 0 HA PRO A 64 6.504 7.610 9.085 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.316 6.825 11.733 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.630 5.863 10.440 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.116 5.347 12.051 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.077 4.191 11.240 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.593 5.114 10.262 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.415 4.212 9.329 1.00 0.00 H new ATOM 990 N ALA A 65 8.889 8.132 11.280 1.00 0.00 N ATOM 991 CA ALA A 65 9.588 9.248 11.975 1.00 0.00 C ATOM 992 C ALA A 65 10.859 8.714 12.642 1.00 0.00 C ATOM 993 O ALA A 65 11.200 9.094 13.744 1.00 0.00 O ATOM 994 CB ALA A 65 8.665 9.842 13.039 1.00 0.00 C ATOM 0 H ALA A 65 9.248 7.200 11.486 1.00 0.00 H new ATOM 0 HA ALA A 65 9.853 10.020 11.252 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.176 10.659 13.549 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.759 10.220 12.565 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.401 9.071 13.763 1.00 0.00 H new ATOM 1000 N VAL A 66 11.563 7.835 11.980 1.00 0.00 N ATOM 1001 CA VAL A 66 12.809 7.278 12.574 1.00 0.00 C ATOM 1002 C VAL A 66 14.023 7.839 11.824 1.00 0.00 C ATOM 1003 O VAL A 66 14.066 9.004 11.484 1.00 0.00 O ATOM 1004 CB VAL A 66 12.783 5.752 12.463 1.00 0.00 C ATOM 1005 CG1 VAL A 66 11.470 5.220 13.037 1.00 0.00 C ATOM 1006 CG2 VAL A 66 12.896 5.345 10.991 1.00 0.00 C ATOM 0 H VAL A 66 11.328 7.480 11.053 1.00 0.00 H new ATOM 0 HA VAL A 66 12.877 7.559 13.625 1.00 0.00 H new ATOM 0 HB VAL A 66 13.620 5.334 13.022 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.452 4.133 12.958 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.388 5.509 14.085 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.633 5.638 12.478 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.878 4.258 10.912 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.059 5.764 10.432 1.00 0.00 H new ATOM 0 HG23 VAL A 66 13.832 5.723 10.580 1.00 0.00 H new ATOM 1016 N TYR A 67 15.010 7.023 11.563 1.00 0.00 N ATOM 1017 CA TYR A 67 16.214 7.517 10.837 1.00 0.00 C ATOM 1018 C TYR A 67 15.919 7.584 9.338 1.00 0.00 C ATOM 1019 O TYR A 67 14.817 7.316 8.899 1.00 0.00 O ATOM 1020 CB TYR A 67 17.380 6.557 11.079 1.00 0.00 C ATOM 1021 CG TYR A 67 18.407 7.213 11.972 1.00 0.00 C ATOM 1022 CD1 TYR A 67 18.025 7.739 13.213 1.00 0.00 C ATOM 1023 CD2 TYR A 67 19.743 7.292 11.561 1.00 0.00 C ATOM 1024 CE1 TYR A 67 18.978 8.345 14.040 1.00 0.00 C ATOM 1025 CE2 TYR A 67 20.696 7.897 12.389 1.00 0.00 C ATOM 1026 CZ TYR A 67 20.315 8.423 13.628 1.00 0.00 C ATOM 1027 OH TYR A 67 21.255 9.018 14.444 1.00 0.00 O ATOM 0 H TYR A 67 15.033 6.037 11.821 1.00 0.00 H new ATOM 0 HA TYR A 67 16.473 8.511 11.201 1.00 0.00 H new ATOM 0 HB2 TYR A 67 17.017 5.639 11.541 1.00 0.00 H new ATOM 0 HB3 TYR A 67 17.836 6.278 10.129 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.995 7.677 13.532 1.00 0.00 H new ATOM 0 HD2 TYR A 67 20.039 6.886 10.605 1.00 0.00 H new ATOM 0 HE1 TYR A 67 18.683 8.752 14.996 1.00 0.00 H new ATOM 0 HE2 TYR A 67 21.726 7.958 12.071 1.00 0.00 H new ATOM 0 HH TYR A 67 22.132 8.987 14.009 1.00 0.00 H new ATOM 1037 N LYS A 68 16.897 7.935 8.549 1.00 0.00 N ATOM 1038 CA LYS A 68 16.678 8.017 7.077 1.00 0.00 C ATOM 1039 C LYS A 68 17.966 7.600 6.353 1.00 0.00 C ATOM 1040 O LYS A 68 19.001 8.205 6.552 1.00 0.00 O ATOM 1041 CB LYS A 68 16.326 9.456 6.695 1.00 0.00 C ATOM 1042 CG LYS A 68 17.388 10.407 7.250 1.00 0.00 C ATOM 1043 CD LYS A 68 18.029 11.184 6.099 1.00 0.00 C ATOM 1044 CE LYS A 68 17.089 12.306 5.654 1.00 0.00 C ATOM 1045 NZ LYS A 68 17.457 13.569 6.353 1.00 0.00 N ATOM 0 H LYS A 68 17.840 8.169 8.860 1.00 0.00 H new ATOM 0 HA LYS A 68 15.862 7.354 6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.268 9.552 5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.345 9.719 7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.936 11.098 7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 68 18.149 9.844 7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.985 11.601 6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.234 10.514 5.264 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.154 12.443 4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.056 12.041 5.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.818 14.332 6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.373 13.434 7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.437 13.824 6.116 1.00 0.00 H new ATOM 1059 N PRO A 69 17.869 6.577 5.539 1.00 0.00 N ATOM 1060 CA PRO A 69 19.020 6.059 4.775 1.00 0.00 C ATOM 1061 C PRO A 69 19.275 6.911 3.525 1.00 0.00 C ATOM 1062 O PRO A 69 19.537 6.392 2.457 1.00 0.00 O ATOM 1063 CB PRO A 69 18.579 4.647 4.382 1.00 0.00 C ATOM 1064 CG PRO A 69 17.032 4.641 4.431 1.00 0.00 C ATOM 1065 CD PRO A 69 16.613 5.835 5.308 1.00 0.00 C ATOM 0 HA PRO A 69 19.949 6.076 5.345 1.00 0.00 H new ATOM 0 HB2 PRO A 69 18.937 4.392 3.384 1.00 0.00 H new ATOM 0 HB3 PRO A 69 18.992 3.907 5.067 1.00 0.00 H new ATOM 0 HG2 PRO A 69 16.613 4.731 3.429 1.00 0.00 H new ATOM 0 HG3 PRO A 69 16.662 3.705 4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 69 15.871 6.456 4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 69 16.169 5.503 6.246 1.00 0.00 H new ATOM 1073 N LEU A 70 19.203 8.208 3.643 1.00 0.00 N ATOM 1074 CA LEU A 70 19.445 9.076 2.455 1.00 0.00 C ATOM 1075 C LEU A 70 20.789 9.792 2.607 1.00 0.00 C ATOM 1076 O LEU A 70 20.927 10.717 3.383 1.00 0.00 O ATOM 1077 CB LEU A 70 18.324 10.113 2.343 1.00 0.00 C ATOM 1078 CG LEU A 70 17.708 10.048 0.945 1.00 0.00 C ATOM 1079 CD1 LEU A 70 16.398 10.839 0.924 1.00 0.00 C ATOM 1080 CD2 LEU A 70 18.682 10.652 -0.069 1.00 0.00 C ATOM 0 H LEU A 70 18.988 8.704 4.508 1.00 0.00 H new ATOM 0 HA LEU A 70 19.463 8.461 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 70 17.561 9.922 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 70 18.717 11.112 2.533 1.00 0.00 H new ATOM 0 HG LEU A 70 17.508 9.008 0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.960 10.792 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.703 10.411 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.597 11.879 1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.244 10.606 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 70 18.881 11.691 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.615 10.089 -0.057 1.00 0.00 H new ATOM 1092 N SER A 71 21.780 9.375 1.868 1.00 0.00 N ATOM 1093 CA SER A 71 23.114 10.033 1.966 1.00 0.00 C ATOM 1094 C SER A 71 23.330 10.921 0.739 1.00 0.00 C ATOM 1095 O SER A 71 23.962 10.526 -0.221 1.00 0.00 O ATOM 1096 CB SER A 71 24.205 8.965 2.023 1.00 0.00 C ATOM 1097 OG SER A 71 25.236 9.393 2.904 1.00 0.00 O ATOM 0 H SER A 71 21.724 8.606 1.200 1.00 0.00 H new ATOM 0 HA SER A 71 23.157 10.642 2.869 1.00 0.00 H new ATOM 0 HB2 SER A 71 23.786 8.019 2.367 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.611 8.790 1.027 1.00 0.00 H new ATOM 0 HG SER A 71 25.937 8.709 2.944 1.00 0.00 H new ATOM 1103 N GLN A 72 22.806 12.115 0.762 1.00 0.00 N ATOM 1104 CA GLN A 72 22.976 13.027 -0.405 1.00 0.00 C ATOM 1105 C GLN A 72 24.424 13.517 -0.472 1.00 0.00 C ATOM 1106 O GLN A 72 25.039 13.808 0.534 1.00 0.00 O ATOM 1107 CB GLN A 72 22.040 14.229 -0.248 1.00 0.00 C ATOM 1108 CG GLN A 72 21.334 14.505 -1.577 1.00 0.00 C ATOM 1109 CD GLN A 72 19.859 14.816 -1.317 1.00 0.00 C ATOM 1110 OE1 GLN A 72 19.013 14.541 -2.143 1.00 0.00 O ATOM 1111 NE2 GLN A 72 19.516 15.381 -0.192 1.00 0.00 N ATOM 0 H GLN A 72 22.267 12.499 1.538 1.00 0.00 H new ATOM 0 HA GLN A 72 22.735 12.489 -1.322 1.00 0.00 H new ATOM 0 HB2 GLN A 72 21.305 14.031 0.532 1.00 0.00 H new ATOM 0 HB3 GLN A 72 22.607 15.106 0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 72 21.809 15.344 -2.086 1.00 0.00 H new ATOM 0 HG3 GLN A 72 21.424 13.641 -2.235 1.00 0.00 H new ATOM 0 HE21 GLN A 72 20.228 15.611 0.501 1.00 0.00 H new ATOM 0 HE22 GLN A 72 18.536 15.592 -0.005 1.00 0.00 H new ATOM 1120 N GLU A 73 24.971 13.615 -1.653 1.00 0.00 N ATOM 1121 CA GLU A 73 26.376 14.091 -1.791 1.00 0.00 C ATOM 1122 C GLU A 73 26.436 15.168 -2.876 1.00 0.00 C ATOM 1123 O GLU A 73 25.440 15.501 -3.485 1.00 0.00 O ATOM 1124 CB GLU A 73 27.279 12.919 -2.179 1.00 0.00 C ATOM 1125 CG GLU A 73 28.241 12.613 -1.031 1.00 0.00 C ATOM 1126 CD GLU A 73 28.509 11.108 -0.978 1.00 0.00 C ATOM 1127 OE1 GLU A 73 28.695 10.523 -2.032 1.00 0.00 O ATOM 1128 OE2 GLU A 73 28.522 10.567 0.114 1.00 0.00 O ATOM 0 H GLU A 73 24.504 13.385 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 73 26.717 14.507 -0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 73 26.675 12.040 -2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 73 27.839 13.162 -3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 73 29.176 13.155 -1.172 1.00 0.00 H new ATOM 0 HG3 GLU A 73 27.816 12.951 -0.086 1.00 0.00 H new ATOM 1135 N GLU A 74 27.594 15.718 -3.124 1.00 0.00 N ATOM 1136 CA GLU A 74 27.701 16.774 -4.170 1.00 0.00 C ATOM 1137 C GLU A 74 28.963 16.549 -5.006 1.00 0.00 C ATOM 1138 O GLU A 74 28.933 16.613 -6.219 1.00 0.00 O ATOM 1139 CB GLU A 74 27.772 18.148 -3.502 1.00 0.00 C ATOM 1140 CG GLU A 74 26.362 18.611 -3.128 1.00 0.00 C ATOM 1141 CD GLU A 74 25.525 18.776 -4.397 1.00 0.00 C ATOM 1142 OE1 GLU A 74 26.063 19.258 -5.380 1.00 0.00 O ATOM 1143 OE2 GLU A 74 24.358 18.419 -4.364 1.00 0.00 O ATOM 0 H GLU A 74 28.466 15.483 -2.650 1.00 0.00 H new ATOM 0 HA GLU A 74 26.826 16.727 -4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 74 28.398 18.098 -2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 74 28.235 18.868 -4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 74 25.894 17.885 -2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 74 26.410 19.555 -2.586 1.00 0.00 H new ATOM 1150 N LEU A 75 30.075 16.294 -4.371 1.00 0.00 N ATOM 1151 CA LEU A 75 31.334 16.075 -5.140 1.00 0.00 C ATOM 1152 C LEU A 75 31.681 14.583 -5.155 1.00 0.00 C ATOM 1153 O LEU A 75 31.161 13.826 -5.950 1.00 0.00 O ATOM 1154 CB LEU A 75 32.472 16.865 -4.487 1.00 0.00 C ATOM 1155 CG LEU A 75 32.245 18.362 -4.704 1.00 0.00 C ATOM 1156 CD1 LEU A 75 32.223 19.075 -3.351 1.00 0.00 C ATOM 1157 CD2 LEU A 75 33.378 18.931 -5.561 1.00 0.00 C ATOM 0 H LEU A 75 30.166 16.228 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 75 31.196 16.417 -6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 75 32.517 16.644 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 75 33.429 16.566 -4.915 1.00 0.00 H new ATOM 0 HG LEU A 75 31.293 18.515 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 75 32.061 20.142 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 75 31.417 18.670 -2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 75 33.175 18.922 -2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 75 33.217 19.998 -5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 75 34.330 18.778 -5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 75 33.395 18.423 -6.525 1.00 0.00 H new ATOM 1169 N GLN A 76 32.559 14.151 -4.289 1.00 0.00 N ATOM 1170 CA GLN A 76 32.935 12.708 -4.266 1.00 0.00 C ATOM 1171 C GLN A 76 33.721 12.367 -5.535 1.00 0.00 C ATOM 1172 O GLN A 76 33.192 11.797 -6.469 1.00 0.00 O ATOM 1173 CB GLN A 76 31.670 11.850 -4.202 1.00 0.00 C ATOM 1174 CG GLN A 76 31.941 10.608 -3.352 1.00 0.00 C ATOM 1175 CD GLN A 76 30.935 9.512 -3.711 1.00 0.00 C ATOM 1176 OE1 GLN A 76 30.675 9.267 -4.873 1.00 0.00 O ATOM 1177 NE2 GLN A 76 30.354 8.838 -2.757 1.00 0.00 N ATOM 0 H GLN A 76 33.031 14.734 -3.598 1.00 0.00 H new ATOM 0 HA GLN A 76 33.552 12.507 -3.390 1.00 0.00 H new ATOM 0 HB2 GLN A 76 30.849 12.425 -3.774 1.00 0.00 H new ATOM 0 HB3 GLN A 76 31.365 11.557 -5.207 1.00 0.00 H new ATOM 0 HG2 GLN A 76 32.957 10.253 -3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 76 31.863 10.855 -2.293 1.00 0.00 H new ATOM 0 HE21 GLN A 76 30.572 9.043 -1.782 1.00 0.00 H new ATOM 0 HE22 GLN A 76 29.682 8.106 -2.986 1.00 0.00 H new ATOM 1186 N ARG A 77 34.980 12.710 -5.574 1.00 0.00 N ATOM 1187 CA ARG A 77 35.800 12.405 -6.782 1.00 0.00 C ATOM 1188 C ARG A 77 35.345 13.288 -7.944 1.00 0.00 C ATOM 1189 O ARG A 77 34.174 13.363 -8.260 1.00 0.00 O ATOM 1190 CB ARG A 77 35.627 10.932 -7.159 1.00 0.00 C ATOM 1191 CG ARG A 77 36.979 10.222 -7.074 1.00 0.00 C ATOM 1192 CD ARG A 77 37.558 10.393 -5.669 1.00 0.00 C ATOM 1193 NE ARG A 77 39.037 10.553 -5.756 1.00 0.00 N ATOM 1194 CZ ARG A 77 39.625 11.539 -5.135 1.00 0.00 C ATOM 1195 NH1 ARG A 77 40.087 11.367 -3.927 1.00 0.00 N ATOM 1196 NH2 ARG A 77 39.750 12.698 -5.723 1.00 0.00 N ATOM 0 H ARG A 77 35.476 13.188 -4.822 1.00 0.00 H new ATOM 0 HA ARG A 77 36.850 12.602 -6.567 1.00 0.00 H new ATOM 0 HB2 ARG A 77 34.911 10.456 -6.489 1.00 0.00 H new ATOM 0 HB3 ARG A 77 35.223 10.849 -8.168 1.00 0.00 H new ATOM 0 HG2 ARG A 77 36.861 9.163 -7.304 1.00 0.00 H new ATOM 0 HG3 ARG A 77 37.665 10.634 -7.814 1.00 0.00 H new ATOM 0 HD2 ARG A 77 37.115 11.264 -5.185 1.00 0.00 H new ATOM 0 HD3 ARG A 77 37.311 9.527 -5.055 1.00 0.00 H new ATOM 0 HE ARG A 77 39.590 9.892 -6.301 1.00 0.00 H new ATOM 0 HH11 ARG A 77 39.989 10.462 -3.468 1.00 0.00 H new ATOM 0 HH12 ARG A 77 40.546 12.138 -3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 77 39.388 12.833 -6.667 1.00 0.00 H new ATOM 0 HH22 ARG A 77 40.209 13.469 -5.238 1.00 0.00 H new ATOM 1210 N ILE A 78 36.264 13.960 -8.584 1.00 0.00 N ATOM 1211 CA ILE A 78 35.886 14.839 -9.727 1.00 0.00 C ATOM 1212 C ILE A 78 36.224 14.137 -11.044 1.00 0.00 C ATOM 1213 O ILE A 78 35.350 13.478 -11.583 1.00 0.00 O ATOM 1214 CB ILE A 78 36.662 16.154 -9.634 1.00 0.00 C ATOM 1215 CG1 ILE A 78 36.247 16.898 -8.364 1.00 0.00 C ATOM 1216 CG2 ILE A 78 36.348 17.021 -10.855 1.00 0.00 C ATOM 1217 CD1 ILE A 78 37.439 16.978 -7.407 1.00 0.00 C ATOM 1218 OXT ILE A 78 37.351 14.272 -11.492 1.00 0.00 O ATOM 0 H ILE A 78 37.260 13.938 -8.364 1.00 0.00 H new ATOM 0 HA ILE A 78 34.816 15.045 -9.691 1.00 0.00 H new ATOM 0 HB ILE A 78 37.731 15.944 -9.603 1.00 0.00 H new ATOM 0 HG12 ILE A 78 35.900 17.901 -8.614 1.00 0.00 H new ATOM 0 HG13 ILE A 78 35.415 16.383 -7.883 1.00 0.00 H new ATOM 0 HG21 ILE A 78 36.901 17.958 -10.788 1.00 0.00 H new ATOM 0 HG22 ILE A 78 36.640 16.491 -11.762 1.00 0.00 H new ATOM 0 HG23 ILE A 78 35.279 17.232 -10.886 1.00 0.00 H new ATOM 0 HD11 ILE A 78 37.144 17.508 -6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 78 37.766 15.971 -7.148 1.00 0.00 H new ATOM 0 HD13 ILE A 78 38.258 17.512 -7.889 1.00 0.00 H new TER 1230 ILE A 78 HETATM 1231 ZN ZN A 79 -7.157 -8.006 2.211 1.00 0.00 ZN HETATM 1232 ZN ZN A 80 2.326 0.297 -6.708 1.00 0.00 ZN