USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 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 25 SER OG : rot -29:sc= -0.922 USER MOD Set 1.2: A 45 GLN : amide:sc= -0.843 K(o=-1.8,f=-0.99) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -102:sc= 0.147 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.0651 USER MOD Single : A 48 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.3) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 1.16 K(o=1.2,f=-0.0083) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0252 USER MOD Single : A 58 GLN : amide:sc= -0.385 K(o=-0.39,f=-2.9!) USER MOD Single : A 59 LYS NZ :NH3+ -150:sc= -0.146 (180deg=-0.966) USER MOD Single : A 63 SER OG : rot -27:sc= -0.581 USER MOD Single : A 75 SER OG : rot 140:sc= -1.58! USER MOD Single : A 92 SER OG : rot 107:sc= -4.24! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.094 -18.020 -18.290 1.00 0.00 N ATOM 2 CA ALA A 1 -3.324 -18.183 -16.829 1.00 0.00 C ATOM 3 C ALA A 1 -2.019 -18.497 -16.102 1.00 0.00 C ATOM 4 O ALA A 1 -1.446 -17.633 -15.438 1.00 0.00 O ATOM 5 CB ALA A 1 -4.347 -19.280 -16.573 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.996 -17.807 -18.762 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.426 -17.239 -18.451 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.699 -18.900 -18.679 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.712 -17.242 -16.440 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.505 -19.387 -15.500 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.290 -19.018 -17.054 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.981 -20.222 -16.982 1.00 0.00 H new ATOM 13 N VAL A 2 -1.554 -19.736 -16.234 1.00 0.00 N ATOM 14 CA VAL A 2 -0.316 -20.163 -15.592 1.00 0.00 C ATOM 15 C VAL A 2 0.858 -19.309 -16.052 1.00 0.00 C ATOM 16 O VAL A 2 0.735 -18.509 -16.981 1.00 0.00 O ATOM 17 CB VAL A 2 -0.008 -21.646 -15.887 1.00 0.00 C ATOM 18 CG1 VAL A 2 1.121 -22.149 -14.999 1.00 0.00 C ATOM 19 CG2 VAL A 2 -1.253 -22.502 -15.705 1.00 0.00 C ATOM 0 H VAL A 2 -2.017 -20.462 -16.781 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.456 -20.039 -14.518 1.00 0.00 H new ATOM 0 HB VAL A 2 0.312 -21.725 -16.926 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.322 -23.197 -15.224 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.019 -21.560 -15.184 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.832 -22.051 -13.953 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.013 -23.544 -15.918 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.608 -22.414 -14.678 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.031 -22.162 -16.388 1.00 0.00 H new ATOM 29 N LEU A 3 1.995 -19.464 -15.384 1.00 0.00 N ATOM 30 CA LEU A 3 3.170 -18.705 -15.697 1.00 0.00 C ATOM 31 C LEU A 3 3.825 -19.112 -16.981 1.00 0.00 C ATOM 32 O LEU A 3 3.726 -20.248 -17.433 1.00 0.00 O ATOM 33 CB LEU A 3 4.210 -18.866 -14.596 1.00 0.00 C ATOM 34 CG LEU A 3 4.290 -17.716 -13.596 1.00 0.00 C ATOM 35 CD1 LEU A 3 3.740 -16.459 -14.218 1.00 0.00 C ATOM 36 CD2 LEU A 3 3.570 -18.062 -12.312 1.00 0.00 C ATOM 0 H LEU A 3 2.114 -20.122 -14.614 1.00 0.00 H new ATOM 0 HA LEU A 3 2.829 -17.674 -15.792 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.997 -19.785 -14.050 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.189 -18.990 -15.060 1.00 0.00 H new ATOM 0 HG LEU A 3 5.335 -17.543 -13.340 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.800 -15.641 -13.500 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.322 -16.207 -15.104 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.699 -16.618 -14.501 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.643 -17.225 -11.617 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.521 -18.265 -12.527 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.027 -18.945 -11.865 1.00 0.00 H new ATOM 48 N ASP A 4 4.507 -18.143 -17.560 1.00 0.00 N ATOM 49 CA ASP A 4 5.200 -18.352 -18.790 1.00 0.00 C ATOM 50 C ASP A 4 6.358 -19.323 -18.545 1.00 0.00 C ATOM 51 O ASP A 4 6.153 -20.393 -17.975 1.00 0.00 O ATOM 52 CB ASP A 4 5.690 -17.007 -19.344 1.00 0.00 C ATOM 53 CG ASP A 4 6.262 -17.128 -20.744 1.00 0.00 C ATOM 54 OD1 ASP A 4 5.565 -17.670 -21.626 1.00 0.00 O ATOM 55 OD2 ASP A 4 7.409 -16.682 -20.954 1.00 0.00 O ATOM 0 H ASP A 4 4.589 -17.198 -17.184 1.00 0.00 H new ATOM 0 HA ASP A 4 4.535 -18.790 -19.535 1.00 0.00 H new ATOM 0 HB2 ASP A 4 4.862 -16.298 -19.354 1.00 0.00 H new ATOM 0 HB3 ASP A 4 6.451 -16.599 -18.678 1.00 0.00 H new ATOM 60 N LEU A 5 7.557 -18.949 -18.944 1.00 0.00 N ATOM 61 CA LEU A 5 8.706 -19.783 -18.741 1.00 0.00 C ATOM 62 C LEU A 5 9.382 -19.431 -17.420 1.00 0.00 C ATOM 63 O LEU A 5 8.703 -19.201 -16.425 1.00 0.00 O ATOM 64 CB LEU A 5 9.632 -19.652 -19.948 1.00 0.00 C ATOM 65 CG LEU A 5 9.994 -18.221 -20.349 1.00 0.00 C ATOM 66 CD1 LEU A 5 11.261 -17.770 -19.653 1.00 0.00 C ATOM 67 CD2 LEU A 5 10.152 -18.106 -21.849 1.00 0.00 C ATOM 0 H LEU A 5 7.753 -18.065 -19.413 1.00 0.00 H new ATOM 0 HA LEU A 5 8.416 -20.831 -18.664 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.553 -20.196 -19.738 1.00 0.00 H new ATOM 0 HB3 LEU A 5 9.160 -20.141 -20.800 1.00 0.00 H new ATOM 0 HG LEU A 5 9.178 -17.570 -20.036 1.00 0.00 H new ATOM 0 HD11 LEU A 5 11.498 -16.750 -19.954 1.00 0.00 H new ATOM 0 HD12 LEU A 5 11.115 -17.805 -18.573 1.00 0.00 H new ATOM 0 HD13 LEU A 5 12.083 -18.430 -19.930 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.409 -17.079 -22.110 1.00 0.00 H new ATOM 0 HD22 LEU A 5 10.945 -18.775 -22.184 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.216 -18.380 -22.336 1.00 0.00 H new ATOM 79 N ASP A 6 10.701 -19.366 -17.409 1.00 0.00 N ATOM 80 CA ASP A 6 11.418 -19.014 -16.209 1.00 0.00 C ATOM 81 C ASP A 6 11.234 -17.526 -15.920 1.00 0.00 C ATOM 82 O ASP A 6 11.487 -17.054 -14.816 1.00 0.00 O ATOM 83 CB ASP A 6 12.902 -19.330 -16.396 1.00 0.00 C ATOM 84 CG ASP A 6 13.322 -20.597 -15.681 1.00 0.00 C ATOM 85 OD1 ASP A 6 13.126 -21.691 -16.249 1.00 0.00 O ATOM 86 OD2 ASP A 6 13.842 -20.495 -14.551 1.00 0.00 O ATOM 0 H ASP A 6 11.292 -19.553 -18.219 1.00 0.00 H new ATOM 0 HA ASP A 6 11.030 -19.589 -15.368 1.00 0.00 H new ATOM 0 HB2 ASP A 6 13.117 -19.429 -17.460 1.00 0.00 H new ATOM 0 HB3 ASP A 6 13.497 -18.495 -16.027 1.00 0.00 H new ATOM 91 N VAL A 7 10.771 -16.810 -16.934 1.00 0.00 N ATOM 92 CA VAL A 7 10.519 -15.394 -16.846 1.00 0.00 C ATOM 93 C VAL A 7 9.124 -15.125 -16.318 1.00 0.00 C ATOM 94 O VAL A 7 8.390 -14.301 -16.867 1.00 0.00 O ATOM 95 CB VAL A 7 10.675 -14.678 -18.204 1.00 0.00 C ATOM 96 CG1 VAL A 7 12.114 -14.759 -18.699 1.00 0.00 C ATOM 97 CG2 VAL A 7 9.709 -15.241 -19.236 1.00 0.00 C ATOM 0 H VAL A 7 10.560 -17.208 -17.849 1.00 0.00 H new ATOM 0 HA VAL A 7 11.266 -14.998 -16.158 1.00 0.00 H new ATOM 0 HB VAL A 7 10.428 -13.626 -18.058 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.198 -14.247 -19.658 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.775 -14.284 -17.974 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.399 -15.804 -18.819 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.842 -14.717 -20.183 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.907 -16.303 -19.378 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.685 -15.106 -18.887 1.00 0.00 H new ATOM 107 N ARG A 8 8.750 -15.818 -15.256 1.00 0.00 N ATOM 108 CA ARG A 8 7.455 -15.645 -14.669 1.00 0.00 C ATOM 109 C ARG A 8 7.320 -14.213 -14.177 1.00 0.00 C ATOM 110 O ARG A 8 8.282 -13.635 -13.675 1.00 0.00 O ATOM 111 CB ARG A 8 7.315 -16.634 -13.525 1.00 0.00 C ATOM 112 CG ARG A 8 7.279 -18.083 -13.984 1.00 0.00 C ATOM 113 CD ARG A 8 7.702 -19.023 -12.876 1.00 0.00 C ATOM 114 NE ARG A 8 7.610 -20.428 -13.276 1.00 0.00 N ATOM 115 CZ ARG A 8 6.845 -21.331 -12.661 1.00 0.00 C ATOM 116 NH1 ARG A 8 6.096 -20.986 -11.620 1.00 0.00 N ATOM 117 NH2 ARG A 8 6.831 -22.586 -13.088 1.00 0.00 N ATOM 0 H ARG A 8 9.338 -16.508 -14.788 1.00 0.00 H new ATOM 0 HA ARG A 8 6.666 -15.831 -15.397 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.147 -16.500 -12.834 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.402 -16.412 -12.972 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.272 -18.337 -14.314 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.938 -18.211 -14.843 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.727 -18.797 -12.582 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.075 -18.855 -12.000 1.00 0.00 H new ATOM 0 HE ARG A 8 8.165 -20.736 -14.074 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.102 -20.023 -11.284 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.514 -21.684 -11.157 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.405 -22.860 -13.886 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.247 -23.278 -12.619 1.00 0.00 H new ATOM 131 N THR A 9 6.146 -13.618 -14.380 1.00 0.00 N ATOM 132 CA THR A 9 5.938 -12.224 -14.013 1.00 0.00 C ATOM 133 C THR A 9 6.821 -11.374 -14.929 1.00 0.00 C ATOM 134 O THR A 9 8.025 -11.251 -14.706 1.00 0.00 O ATOM 135 CB THR A 9 6.244 -12.008 -12.531 1.00 0.00 C ATOM 136 OG1 THR A 9 5.107 -12.313 -11.743 1.00 0.00 O ATOM 137 CG2 THR A 9 6.679 -10.602 -12.169 1.00 0.00 C ATOM 0 H THR A 9 5.333 -14.076 -14.793 1.00 0.00 H new ATOM 0 HA THR A 9 4.897 -11.930 -14.147 1.00 0.00 H new ATOM 0 HB THR A 9 7.081 -12.676 -12.327 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.318 -12.172 -10.796 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.874 -10.546 -11.098 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.587 -10.350 -12.717 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.890 -9.898 -12.432 1.00 0.00 H new ATOM 145 N CYS A 10 6.215 -10.861 -16.000 1.00 0.00 N ATOM 146 CA CYS A 10 6.930 -10.088 -17.021 1.00 0.00 C ATOM 147 C CYS A 10 7.938 -9.087 -16.442 1.00 0.00 C ATOM 148 O CYS A 10 8.069 -8.939 -15.227 1.00 0.00 O ATOM 149 CB CYS A 10 5.933 -9.407 -17.956 1.00 0.00 C ATOM 150 SG CYS A 10 5.304 -10.493 -19.286 1.00 0.00 S ATOM 0 H CYS A 10 5.218 -10.968 -16.186 1.00 0.00 H new ATOM 0 HA CYS A 10 7.529 -10.796 -17.593 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.090 -9.042 -17.369 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.409 -8.536 -18.406 1.00 0.00 H new ATOM 155 N LEU A 11 8.683 -8.438 -17.341 1.00 0.00 N ATOM 156 CA LEU A 11 9.737 -7.498 -16.957 1.00 0.00 C ATOM 157 C LEU A 11 9.202 -6.231 -16.290 1.00 0.00 C ATOM 158 O LEU A 11 8.254 -5.601 -16.774 1.00 0.00 O ATOM 159 CB LEU A 11 10.548 -7.104 -18.190 1.00 0.00 C ATOM 160 CG LEU A 11 11.782 -6.253 -17.898 1.00 0.00 C ATOM 161 CD1 LEU A 11 13.043 -7.097 -17.988 1.00 0.00 C ATOM 162 CD2 LEU A 11 11.853 -5.072 -18.851 1.00 0.00 C ATOM 0 H LEU A 11 8.573 -8.549 -18.349 1.00 0.00 H new ATOM 0 HA LEU A 11 10.360 -8.012 -16.225 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.863 -8.011 -18.706 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.900 -6.557 -18.875 1.00 0.00 H new ATOM 0 HG LEU A 11 11.703 -5.865 -16.882 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.913 -6.475 -17.777 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.991 -7.907 -17.261 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.130 -7.515 -18.991 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.739 -4.477 -18.628 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.909 -5.435 -19.877 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.962 -4.455 -18.733 1.00 0.00 H new ATOM 174 N PRO A 12 9.829 -5.832 -15.157 1.00 0.00 N ATOM 175 CA PRO A 12 9.429 -4.645 -14.421 1.00 0.00 C ATOM 176 C PRO A 12 9.659 -3.357 -15.190 1.00 0.00 C ATOM 177 O PRO A 12 10.056 -3.359 -16.358 1.00 0.00 O ATOM 178 CB PRO A 12 10.318 -4.628 -13.177 1.00 0.00 C ATOM 179 CG PRO A 12 11.025 -5.930 -13.136 1.00 0.00 C ATOM 180 CD PRO A 12 10.971 -6.513 -14.521 1.00 0.00 C ATOM 0 HA PRO A 12 8.361 -4.690 -14.209 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.029 -3.803 -13.222 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.720 -4.485 -12.277 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.058 -5.796 -12.816 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.553 -6.601 -12.418 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.897 -6.330 -15.066 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.825 -7.593 -14.493 1.00 0.00 H new ATOM 188 N CYS A 13 9.404 -2.250 -14.499 1.00 0.00 N ATOM 189 CA CYS A 13 9.554 -0.937 -15.065 1.00 0.00 C ATOM 190 C CYS A 13 9.954 0.071 -13.995 1.00 0.00 C ATOM 191 O CYS A 13 10.382 -0.300 -12.901 1.00 0.00 O ATOM 192 CB CYS A 13 8.247 -0.519 -15.745 1.00 0.00 C ATOM 193 SG CYS A 13 8.399 0.878 -16.897 1.00 0.00 S ATOM 0 H CYS A 13 9.087 -2.251 -13.529 1.00 0.00 H new ATOM 0 HA CYS A 13 10.349 -0.961 -15.810 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.845 -1.376 -16.286 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.520 -0.259 -14.975 1.00 0.00 H new ATOM 198 N GLY A 14 9.769 1.340 -14.313 1.00 0.00 N ATOM 199 CA GLY A 14 10.084 2.389 -13.378 1.00 0.00 C ATOM 200 C GLY A 14 11.499 2.281 -12.846 1.00 0.00 C ATOM 201 O GLY A 14 12.430 1.958 -13.580 1.00 0.00 O ATOM 0 H GLY A 14 9.403 1.662 -15.209 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.954 3.356 -13.863 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.382 2.353 -12.545 1.00 0.00 H new ATOM 205 N PRO A 15 11.673 2.578 -11.563 1.00 0.00 N ATOM 206 CA PRO A 15 12.965 2.552 -10.886 1.00 0.00 C ATOM 207 C PRO A 15 13.324 1.171 -10.315 1.00 0.00 C ATOM 208 O PRO A 15 13.163 0.920 -9.120 1.00 0.00 O ATOM 209 CB PRO A 15 12.710 3.568 -9.777 1.00 0.00 C ATOM 210 CG PRO A 15 11.326 3.264 -9.367 1.00 0.00 C ATOM 211 CD PRO A 15 10.602 3.014 -10.659 1.00 0.00 C ATOM 0 HA PRO A 15 13.809 2.773 -11.540 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.412 3.450 -8.951 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.810 4.592 -10.136 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.287 2.392 -8.714 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.883 4.094 -8.817 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.832 2.250 -10.548 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.108 3.914 -11.025 1.00 0.00 H new ATOM 219 N GLY A 16 13.824 0.283 -11.182 1.00 0.00 N ATOM 220 CA GLY A 16 14.215 -1.056 -10.750 1.00 0.00 C ATOM 221 C GLY A 16 13.191 -2.119 -11.108 1.00 0.00 C ATOM 222 O GLY A 16 13.465 -3.032 -11.887 1.00 0.00 O ATOM 0 H GLY A 16 13.965 0.468 -12.175 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.172 -1.313 -11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.366 -1.054 -9.670 1.00 0.00 H new ATOM 226 N GLY A 17 12.001 -1.977 -10.548 1.00 0.00 N ATOM 227 CA GLY A 17 10.914 -2.892 -10.806 1.00 0.00 C ATOM 228 C GLY A 17 9.659 -2.474 -10.090 1.00 0.00 C ATOM 229 O GLY A 17 8.862 -3.291 -9.634 1.00 0.00 O ATOM 0 H GLY A 17 11.767 -1.223 -9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.724 -2.939 -11.878 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.198 -3.895 -10.488 1.00 0.00 H new ATOM 233 N LYS A 18 9.505 -1.174 -10.028 1.00 0.00 N ATOM 234 CA LYS A 18 8.375 -0.526 -9.406 1.00 0.00 C ATOM 235 C LYS A 18 7.119 -0.778 -10.193 1.00 0.00 C ATOM 236 O LYS A 18 6.009 -0.730 -9.672 1.00 0.00 O ATOM 237 CB LYS A 18 8.644 0.951 -9.427 1.00 0.00 C ATOM 238 CG LYS A 18 9.077 1.545 -8.124 1.00 0.00 C ATOM 239 CD LYS A 18 9.931 0.577 -7.347 1.00 0.00 C ATOM 240 CE LYS A 18 10.406 1.167 -6.031 1.00 0.00 C ATOM 241 NZ LYS A 18 9.531 0.759 -4.899 1.00 0.00 N ATOM 0 H LYS A 18 10.181 -0.519 -10.420 1.00 0.00 H new ATOM 0 HA LYS A 18 8.243 -0.910 -8.394 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.414 1.152 -10.172 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.740 1.463 -9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.636 2.463 -8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.201 1.817 -7.535 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.363 -0.332 -7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.794 0.291 -7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.429 0.845 -5.835 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.423 2.254 -6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.893 1.543 -4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.969 -0.071 -5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.118 0.520 -4.075 1.00 0.00 H new ATOM 255 N GLY A 19 7.338 -1.078 -11.447 1.00 0.00 N ATOM 256 CA GLY A 19 6.295 -1.387 -12.362 1.00 0.00 C ATOM 257 C GLY A 19 6.752 -2.390 -13.388 1.00 0.00 C ATOM 258 O GLY A 19 7.607 -3.230 -13.116 1.00 0.00 O ATOM 0 H GLY A 19 8.270 -1.112 -11.859 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.437 -1.783 -11.819 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.964 -0.477 -12.862 1.00 0.00 H new ATOM 262 N ARG A 20 6.172 -2.268 -14.561 1.00 0.00 N ATOM 263 CA ARG A 20 6.475 -3.131 -15.683 1.00 0.00 C ATOM 264 C ARG A 20 5.986 -2.488 -16.973 1.00 0.00 C ATOM 265 O ARG A 20 5.402 -1.410 -16.935 1.00 0.00 O ATOM 266 CB ARG A 20 5.837 -4.492 -15.467 1.00 0.00 C ATOM 267 CG ARG A 20 4.338 -4.443 -15.520 1.00 0.00 C ATOM 268 CD ARG A 20 3.763 -5.573 -16.350 1.00 0.00 C ATOM 269 NE ARG A 20 3.251 -6.656 -15.514 1.00 0.00 N ATOM 270 CZ ARG A 20 3.950 -7.743 -15.195 1.00 0.00 C ATOM 271 NH1 ARG A 20 5.189 -7.898 -15.636 1.00 0.00 N ATOM 272 NH2 ARG A 20 3.406 -8.680 -14.429 1.00 0.00 N ATOM 0 H ARG A 20 5.468 -1.559 -14.766 1.00 0.00 H new ATOM 0 HA ARG A 20 7.553 -3.270 -15.762 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.201 -5.184 -16.226 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.150 -4.886 -14.500 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.937 -4.496 -14.508 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.021 -3.488 -15.938 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.960 -5.189 -16.979 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.533 -5.962 -17.017 1.00 0.00 H new ATOM 0 HE ARG A 20 2.301 -6.574 -15.153 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.614 -7.182 -16.225 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.718 -8.734 -15.387 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.452 -8.567 -14.085 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.941 -9.513 -14.184 1.00 0.00 H new ATOM 286 N CYS A 21 6.189 -3.162 -18.095 1.00 0.00 N ATOM 287 CA CYS A 21 5.718 -2.649 -19.388 1.00 0.00 C ATOM 288 C CYS A 21 4.621 -3.575 -19.901 1.00 0.00 C ATOM 289 O CYS A 21 4.746 -4.796 -19.808 1.00 0.00 O ATOM 290 CB CYS A 21 6.885 -2.487 -20.374 1.00 0.00 C ATOM 291 SG CYS A 21 7.018 -3.754 -21.682 1.00 0.00 S ATOM 0 H CYS A 21 6.672 -4.059 -18.145 1.00 0.00 H new ATOM 0 HA CYS A 21 5.295 -1.651 -19.273 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.798 -1.511 -20.851 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.815 -2.482 -19.806 1.00 0.00 H new ATOM 296 N PHE A 22 3.501 -3.008 -20.347 1.00 0.00 N ATOM 297 CA PHE A 22 2.352 -3.817 -20.753 1.00 0.00 C ATOM 298 C PHE A 22 2.228 -4.019 -22.266 1.00 0.00 C ATOM 299 O PHE A 22 1.311 -4.704 -22.713 1.00 0.00 O ATOM 300 CB PHE A 22 1.078 -3.167 -20.207 1.00 0.00 C ATOM 301 CG PHE A 22 0.966 -3.213 -18.710 1.00 0.00 C ATOM 302 CD1 PHE A 22 2.057 -2.920 -17.905 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.235 -3.544 -18.106 1.00 0.00 C ATOM 304 CE1 PHE A 22 1.942 -2.960 -16.535 1.00 0.00 C ATOM 305 CE2 PHE A 22 -0.348 -3.585 -16.732 1.00 0.00 C ATOM 306 CZ PHE A 22 0.744 -3.291 -15.946 1.00 0.00 C ATOM 0 H PHE A 22 3.365 -2.001 -20.436 1.00 0.00 H new ATOM 0 HA PHE A 22 2.502 -4.813 -20.336 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.044 -2.127 -20.533 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.212 -3.666 -20.642 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.003 -2.659 -18.357 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.094 -3.773 -18.719 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.798 -2.730 -15.918 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.290 -3.847 -16.274 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.660 -3.320 -14.870 1.00 0.00 H new ATOM 316 N GLY A 23 3.156 -3.479 -23.054 1.00 0.00 N ATOM 317 CA GLY A 23 3.072 -3.715 -24.490 1.00 0.00 C ATOM 318 C GLY A 23 3.411 -2.549 -25.406 1.00 0.00 C ATOM 319 O GLY A 23 4.463 -2.564 -26.041 1.00 0.00 O ATOM 0 H GLY A 23 3.938 -2.903 -22.742 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.737 -4.543 -24.736 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.058 -4.042 -24.720 1.00 0.00 H new ATOM 323 N PRO A 24 2.523 -1.548 -25.559 1.00 0.00 N ATOM 324 CA PRO A 24 2.761 -0.442 -26.479 1.00 0.00 C ATOM 325 C PRO A 24 3.406 0.765 -25.824 1.00 0.00 C ATOM 326 O PRO A 24 2.719 1.709 -25.427 1.00 0.00 O ATOM 327 CB PRO A 24 1.350 -0.121 -26.949 1.00 0.00 C ATOM 328 CG PRO A 24 0.480 -0.418 -25.777 1.00 0.00 C ATOM 329 CD PRO A 24 1.201 -1.425 -24.911 1.00 0.00 C ATOM 0 HA PRO A 24 3.461 -0.703 -27.272 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.262 0.922 -27.252 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.073 -0.728 -27.811 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.274 0.492 -25.214 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.481 -0.815 -26.105 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.289 -1.080 -23.881 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.676 -2.380 -24.883 1.00 0.00 H new ATOM 337 N SER A 25 4.734 0.735 -25.700 1.00 0.00 N ATOM 338 CA SER A 25 5.455 1.841 -25.077 1.00 0.00 C ATOM 339 C SER A 25 4.883 2.117 -23.697 1.00 0.00 C ATOM 340 O SER A 25 5.059 3.200 -23.148 1.00 0.00 O ATOM 341 CB SER A 25 5.303 3.105 -25.923 1.00 0.00 C ATOM 342 OG SER A 25 6.409 3.971 -25.753 1.00 0.00 O ATOM 0 H SER A 25 5.324 -0.034 -26.019 1.00 0.00 H new ATOM 0 HA SER A 25 6.508 1.569 -24.999 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.209 2.833 -26.974 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.386 3.624 -25.645 1.00 0.00 H new ATOM 0 HG SER A 25 6.785 3.850 -24.856 1.00 0.00 H new ATOM 348 N ILE A 26 4.150 1.149 -23.168 1.00 0.00 N ATOM 349 CA ILE A 26 3.490 1.324 -21.900 1.00 0.00 C ATOM 350 C ILE A 26 4.213 0.694 -20.735 1.00 0.00 C ATOM 351 O ILE A 26 5.058 -0.190 -20.886 1.00 0.00 O ATOM 352 CB ILE A 26 2.061 0.778 -21.976 1.00 0.00 C ATOM 353 CG1 ILE A 26 1.121 1.628 -21.163 1.00 0.00 C ATOM 354 CG2 ILE A 26 1.981 -0.646 -21.493 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.308 1.453 -21.616 1.00 0.00 C ATOM 0 H ILE A 26 4.002 0.238 -23.603 1.00 0.00 H new ATOM 0 HA ILE A 26 3.485 2.397 -21.711 1.00 0.00 H new ATOM 0 HB ILE A 26 1.766 0.806 -23.025 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.206 1.362 -20.109 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.407 2.676 -21.251 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.951 -0.997 -21.563 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.621 -1.276 -22.110 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.312 -0.698 -20.456 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.961 2.080 -21.009 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.396 1.744 -22.663 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.600 0.409 -21.503 1.00 0.00 H new ATOM 367 N CYS A 27 3.854 1.194 -19.566 1.00 0.00 N ATOM 368 CA CYS A 27 4.415 0.756 -18.328 1.00 0.00 C ATOM 369 C CYS A 27 3.480 1.085 -17.179 1.00 0.00 C ATOM 370 O CYS A 27 2.778 2.099 -17.204 1.00 0.00 O ATOM 371 CB CYS A 27 5.735 1.439 -18.153 1.00 0.00 C ATOM 372 SG CYS A 27 7.176 0.364 -18.419 1.00 0.00 S ATOM 0 H CYS A 27 3.152 1.927 -19.463 1.00 0.00 H new ATOM 0 HA CYS A 27 4.555 -0.325 -18.336 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.791 2.279 -18.845 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.786 1.852 -17.146 1.00 0.00 H new ATOM 377 N CYS A 28 3.471 0.230 -16.183 1.00 0.00 N ATOM 378 CA CYS A 28 2.628 0.417 -15.032 1.00 0.00 C ATOM 379 C CYS A 28 3.333 -0.072 -13.786 1.00 0.00 C ATOM 380 O CYS A 28 3.745 -1.227 -13.711 1.00 0.00 O ATOM 381 CB CYS A 28 1.306 -0.324 -15.228 1.00 0.00 C ATOM 382 SG CYS A 28 -0.172 0.614 -14.729 1.00 0.00 S ATOM 0 H CYS A 28 4.047 -0.611 -16.150 1.00 0.00 H new ATOM 0 HA CYS A 28 2.416 1.480 -14.914 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.210 -0.596 -16.279 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.339 -1.254 -14.660 1.00 0.00 H new ATOM 387 N GLY A 29 3.461 0.800 -12.806 1.00 0.00 N ATOM 388 CA GLY A 29 4.094 0.429 -11.582 1.00 0.00 C ATOM 389 C GLY A 29 3.114 0.417 -10.436 1.00 0.00 C ATOM 390 O GLY A 29 2.007 0.933 -10.575 1.00 0.00 O ATOM 0 H GLY A 29 3.132 1.765 -12.845 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.544 -0.558 -11.688 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.903 1.126 -11.363 1.00 0.00 H new ATOM 394 N ASP A 30 3.497 -0.160 -9.303 1.00 0.00 N ATOM 395 CA ASP A 30 2.602 -0.206 -8.162 1.00 0.00 C ATOM 396 C ASP A 30 2.501 1.191 -7.573 1.00 0.00 C ATOM 397 O ASP A 30 1.585 1.947 -7.901 1.00 0.00 O ATOM 398 CB ASP A 30 3.107 -1.207 -7.115 1.00 0.00 C ATOM 399 CG ASP A 30 2.107 -1.430 -5.998 1.00 0.00 C ATOM 400 OD1 ASP A 30 0.912 -1.626 -6.300 1.00 0.00 O ATOM 401 OD2 ASP A 30 2.521 -1.408 -4.818 1.00 0.00 O ATOM 0 H ASP A 30 4.407 -0.595 -9.154 1.00 0.00 H new ATOM 0 HA ASP A 30 1.615 -0.541 -8.480 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.323 -2.159 -7.601 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.044 -0.845 -6.693 1.00 0.00 H new ATOM 406 N GLU A 31 3.487 1.564 -6.773 1.00 0.00 N ATOM 407 CA GLU A 31 3.555 2.902 -6.214 1.00 0.00 C ATOM 408 C GLU A 31 3.947 3.876 -7.323 1.00 0.00 C ATOM 409 O GLU A 31 4.157 5.065 -7.101 1.00 0.00 O ATOM 410 CB GLU A 31 4.621 2.938 -5.120 1.00 0.00 C ATOM 411 CG GLU A 31 6.023 2.621 -5.635 1.00 0.00 C ATOM 412 CD GLU A 31 7.038 3.686 -5.263 1.00 0.00 C ATOM 413 OE1 GLU A 31 7.011 4.774 -5.877 1.00 0.00 O ATOM 414 OE2 GLU A 31 7.861 3.431 -4.360 1.00 0.00 O ATOM 0 H GLU A 31 4.255 0.953 -6.496 1.00 0.00 H new ATOM 0 HA GLU A 31 2.589 3.179 -5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.625 3.925 -4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.357 2.223 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.345 1.661 -5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.992 2.517 -6.720 1.00 0.00 H new ATOM 421 N LEU A 32 4.132 3.303 -8.499 1.00 0.00 N ATOM 422 CA LEU A 32 4.601 3.986 -9.673 1.00 0.00 C ATOM 423 C LEU A 32 3.489 4.499 -10.585 1.00 0.00 C ATOM 424 O LEU A 32 3.705 5.409 -11.388 1.00 0.00 O ATOM 425 CB LEU A 32 5.406 2.938 -10.394 1.00 0.00 C ATOM 426 CG LEU A 32 6.822 3.249 -10.779 1.00 0.00 C ATOM 427 CD1 LEU A 32 7.224 2.279 -11.866 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.010 4.680 -11.227 1.00 0.00 C ATOM 0 H LEU A 32 3.951 2.312 -8.660 1.00 0.00 H new ATOM 0 HA LEU A 32 5.158 4.881 -9.395 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.423 2.047 -9.767 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.867 2.677 -11.305 1.00 0.00 H new ATOM 0 HG LEU A 32 7.461 3.136 -9.903 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.252 2.478 -12.170 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.148 1.259 -11.490 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.562 2.399 -12.724 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.054 4.844 -11.492 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.380 4.875 -12.095 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.731 5.354 -10.417 1.00 0.00 H new ATOM 440 N GLY A 33 2.321 3.908 -10.474 1.00 0.00 N ATOM 441 CA GLY A 33 1.216 4.310 -11.309 1.00 0.00 C ATOM 442 C GLY A 33 1.363 3.796 -12.721 1.00 0.00 C ATOM 443 O GLY A 33 2.109 2.850 -12.967 1.00 0.00 O ATOM 0 H GLY A 33 2.114 3.154 -9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.284 3.939 -10.882 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.149 5.398 -11.324 1.00 0.00 H new ATOM 447 N CYS A 34 0.671 4.409 -13.663 1.00 0.00 N ATOM 448 CA CYS A 34 0.763 3.973 -15.047 1.00 0.00 C ATOM 449 C CYS A 34 1.306 5.064 -15.966 1.00 0.00 C ATOM 450 O CYS A 34 0.906 6.223 -15.877 1.00 0.00 O ATOM 451 CB CYS A 34 -0.594 3.496 -15.541 1.00 0.00 C ATOM 452 SG CYS A 34 -0.546 1.841 -16.301 1.00 0.00 S ATOM 0 H CYS A 34 0.047 5.199 -13.501 1.00 0.00 H new ATOM 0 HA CYS A 34 1.471 3.145 -15.076 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.293 3.484 -14.705 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.980 4.211 -16.268 1.00 0.00 H new ATOM 457 N PHE A 35 2.187 4.660 -16.878 1.00 0.00 N ATOM 458 CA PHE A 35 2.758 5.576 -17.867 1.00 0.00 C ATOM 459 C PHE A 35 2.707 4.971 -19.269 1.00 0.00 C ATOM 460 O PHE A 35 3.324 3.938 -19.520 1.00 0.00 O ATOM 461 CB PHE A 35 4.215 5.929 -17.561 1.00 0.00 C ATOM 462 CG PHE A 35 4.613 5.872 -16.125 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.623 4.670 -15.442 1.00 0.00 C ATOM 464 CD2 PHE A 35 4.995 7.025 -15.465 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.002 4.624 -14.121 1.00 0.00 C ATOM 466 CE2 PHE A 35 5.373 6.982 -14.147 1.00 0.00 C ATOM 467 CZ PHE A 35 5.375 5.785 -13.477 1.00 0.00 C ATOM 0 H PHE A 35 2.523 3.700 -16.954 1.00 0.00 H new ATOM 0 HA PHE A 35 2.153 6.481 -17.819 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.858 5.252 -18.123 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.410 6.935 -17.932 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.331 3.762 -15.949 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.996 7.968 -15.992 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.008 3.683 -13.590 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.668 7.888 -13.638 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.671 5.752 -12.439 1.00 0.00 H new ATOM 477 N VAL A 36 2.039 5.638 -20.199 1.00 0.00 N ATOM 478 CA VAL A 36 2.010 5.152 -21.569 1.00 0.00 C ATOM 479 C VAL A 36 2.883 6.023 -22.446 1.00 0.00 C ATOM 480 O VAL A 36 2.653 7.224 -22.581 1.00 0.00 O ATOM 481 CB VAL A 36 0.599 5.090 -22.172 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.630 4.282 -23.466 1.00 0.00 C ATOM 483 CG2 VAL A 36 -0.384 4.499 -21.178 1.00 0.00 C ATOM 0 H VAL A 36 1.520 6.500 -20.035 1.00 0.00 H new ATOM 0 HA VAL A 36 2.388 4.130 -21.534 1.00 0.00 H new ATOM 0 HB VAL A 36 0.263 6.101 -22.402 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.372 4.239 -23.892 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.306 4.758 -24.176 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.978 3.271 -23.255 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.377 4.464 -21.625 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.070 3.490 -20.912 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.411 5.118 -20.281 1.00 0.00 H new ATOM 493 N GLY A 37 3.893 5.406 -23.029 1.00 0.00 N ATOM 494 CA GLY A 37 4.815 6.134 -23.880 1.00 0.00 C ATOM 495 C GLY A 37 5.525 7.243 -23.124 1.00 0.00 C ATOM 496 O GLY A 37 5.985 8.216 -23.719 1.00 0.00 O ATOM 0 H GLY A 37 4.095 4.411 -22.931 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.552 5.444 -24.291 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.272 6.559 -24.724 1.00 0.00 H new ATOM 500 N THR A 38 5.601 7.095 -21.802 1.00 0.00 N ATOM 501 CA THR A 38 6.246 8.088 -20.947 1.00 0.00 C ATOM 502 C THR A 38 7.675 7.666 -20.600 1.00 0.00 C ATOM 503 O THR A 38 8.111 6.570 -20.951 1.00 0.00 O ATOM 504 CB THR A 38 5.432 8.267 -19.664 1.00 0.00 C ATOM 505 OG1 THR A 38 4.043 8.272 -19.946 1.00 0.00 O ATOM 506 CG2 THR A 38 5.743 9.543 -18.910 1.00 0.00 C ATOM 0 H THR A 38 5.222 6.293 -21.299 1.00 0.00 H new ATOM 0 HA THR A 38 6.291 9.033 -21.488 1.00 0.00 H new ATOM 0 HB THR A 38 5.714 7.421 -19.038 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.548 8.543 -19.145 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.125 9.596 -18.013 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.795 9.551 -18.627 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.532 10.402 -19.547 1.00 0.00 H new ATOM 514 N ALA A 39 8.394 8.535 -19.892 1.00 0.00 N ATOM 515 CA ALA A 39 9.763 8.250 -19.480 1.00 0.00 C ATOM 516 C ALA A 39 9.818 7.006 -18.599 1.00 0.00 C ATOM 517 O ALA A 39 10.533 6.056 -18.888 1.00 0.00 O ATOM 518 CB ALA A 39 10.349 9.450 -18.747 1.00 0.00 C ATOM 0 H ALA A 39 8.047 9.446 -19.592 1.00 0.00 H new ATOM 0 HA ALA A 39 10.359 8.057 -20.372 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.372 9.227 -18.443 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.348 10.317 -19.408 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.747 9.666 -17.864 1.00 0.00 H new ATOM 524 N GLU A 40 9.040 7.020 -17.528 1.00 0.00 N ATOM 525 CA GLU A 40 8.970 5.895 -16.604 1.00 0.00 C ATOM 526 C GLU A 40 8.323 4.671 -17.262 1.00 0.00 C ATOM 527 O GLU A 40 7.970 3.711 -16.571 1.00 0.00 O ATOM 528 CB GLU A 40 8.191 6.296 -15.355 1.00 0.00 C ATOM 529 CG GLU A 40 9.070 6.517 -14.135 1.00 0.00 C ATOM 530 CD GLU A 40 10.059 7.650 -14.325 1.00 0.00 C ATOM 531 OE1 GLU A 40 10.779 7.646 -15.346 1.00 0.00 O ATOM 532 OE2 GLU A 40 10.116 8.543 -13.453 1.00 0.00 O ATOM 0 H GLU A 40 8.442 7.806 -17.274 1.00 0.00 H new ATOM 0 HA GLU A 40 9.987 5.623 -16.323 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.634 7.210 -15.562 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.459 5.521 -15.129 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.440 6.731 -13.272 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.614 5.599 -13.913 1.00 0.00 H new ATOM 539 N ALA A 41 8.101 4.736 -18.581 1.00 0.00 N ATOM 540 CA ALA A 41 7.440 3.655 -19.293 1.00 0.00 C ATOM 541 C ALA A 41 8.195 3.156 -20.513 1.00 0.00 C ATOM 542 O ALA A 41 7.765 2.205 -21.173 1.00 0.00 O ATOM 543 CB ALA A 41 6.090 4.133 -19.747 1.00 0.00 C ATOM 0 H ALA A 41 8.371 5.526 -19.167 1.00 0.00 H new ATOM 0 HA ALA A 41 7.379 2.821 -18.593 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.582 3.332 -20.283 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.496 4.423 -18.880 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.211 4.992 -20.407 1.00 0.00 H new ATOM 549 N LEU A 42 9.314 3.772 -20.794 1.00 0.00 N ATOM 550 CA LEU A 42 10.145 3.382 -21.915 1.00 0.00 C ATOM 551 C LEU A 42 10.704 1.972 -21.736 1.00 0.00 C ATOM 552 O LEU A 42 11.246 1.390 -22.668 1.00 0.00 O ATOM 553 CB LEU A 42 11.293 4.380 -22.072 1.00 0.00 C ATOM 554 CG LEU A 42 12.050 4.766 -20.783 1.00 0.00 C ATOM 555 CD1 LEU A 42 11.738 3.824 -19.621 1.00 0.00 C ATOM 556 CD2 LEU A 42 13.546 4.803 -21.043 1.00 0.00 C ATOM 0 H LEU A 42 9.679 4.558 -20.256 1.00 0.00 H new ATOM 0 HA LEU A 42 9.527 3.384 -22.813 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.012 3.965 -22.779 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.895 5.291 -22.520 1.00 0.00 H new ATOM 0 HG LEU A 42 11.707 5.759 -20.493 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.295 4.138 -18.738 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.670 3.853 -19.406 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.026 2.808 -19.889 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.068 5.076 -20.126 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.882 3.820 -21.373 1.00 0.00 H new ATOM 0 HD23 LEU A 42 13.763 5.539 -21.817 1.00 0.00 H new ATOM 568 N ARG A 43 10.582 1.432 -20.527 1.00 0.00 N ATOM 569 CA ARG A 43 11.087 0.102 -20.215 1.00 0.00 C ATOM 570 C ARG A 43 10.666 -0.937 -21.239 1.00 0.00 C ATOM 571 O ARG A 43 11.282 -1.993 -21.335 1.00 0.00 O ATOM 572 CB ARG A 43 10.596 -0.327 -18.850 1.00 0.00 C ATOM 573 CG ARG A 43 11.707 -0.548 -17.841 1.00 0.00 C ATOM 574 CD ARG A 43 12.522 0.716 -17.617 1.00 0.00 C ATOM 575 NE ARG A 43 11.912 1.597 -16.624 1.00 0.00 N ATOM 576 CZ ARG A 43 12.289 2.860 -16.421 1.00 0.00 C ATOM 577 NH1 ARG A 43 13.264 3.392 -17.133 1.00 0.00 N ATOM 578 NH2 ARG A 43 11.674 3.593 -15.512 1.00 0.00 N ATOM 0 H ARG A 43 10.133 1.902 -19.741 1.00 0.00 H new ATOM 0 HA ARG A 43 12.175 0.165 -20.231 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.914 0.431 -18.465 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.023 -1.249 -18.953 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.279 -0.878 -16.894 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.362 -1.346 -18.190 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.527 0.446 -17.292 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.626 1.252 -18.561 1.00 0.00 H new ATOM 0 HE ARG A 43 11.154 1.224 -16.053 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.737 2.836 -17.846 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.545 4.359 -16.970 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.911 3.193 -14.965 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.962 4.559 -15.356 1.00 0.00 H new ATOM 592 N CYS A 44 9.615 -0.659 -21.993 1.00 0.00 N ATOM 593 CA CYS A 44 9.148 -1.610 -22.987 1.00 0.00 C ATOM 594 C CYS A 44 10.090 -1.635 -24.182 1.00 0.00 C ATOM 595 O CYS A 44 10.133 -2.607 -24.935 1.00 0.00 O ATOM 596 CB CYS A 44 7.715 -1.294 -23.408 1.00 0.00 C ATOM 597 SG CYS A 44 6.597 -2.741 -23.407 1.00 0.00 S ATOM 0 H CYS A 44 9.076 0.205 -21.937 1.00 0.00 H new ATOM 0 HA CYS A 44 9.146 -2.606 -22.543 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.310 -0.536 -22.738 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.729 -0.861 -24.408 1.00 0.00 H new ATOM 602 N GLN A 45 10.870 -0.571 -24.320 1.00 0.00 N ATOM 603 CA GLN A 45 11.852 -0.463 -25.378 1.00 0.00 C ATOM 604 C GLN A 45 12.953 -1.497 -25.149 1.00 0.00 C ATOM 605 O GLN A 45 13.675 -1.889 -26.065 1.00 0.00 O ATOM 606 CB GLN A 45 12.441 0.940 -25.382 1.00 0.00 C ATOM 607 CG GLN A 45 11.884 1.837 -26.472 1.00 0.00 C ATOM 608 CD GLN A 45 10.784 2.753 -25.969 1.00 0.00 C ATOM 609 OE1 GLN A 45 9.628 2.633 -26.372 1.00 0.00 O ATOM 610 NE2 GLN A 45 11.141 3.678 -25.085 1.00 0.00 N ATOM 0 H GLN A 45 10.836 0.238 -23.700 1.00 0.00 H new ATOM 0 HA GLN A 45 11.380 -0.650 -26.343 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.256 1.404 -24.413 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.522 0.869 -25.500 1.00 0.00 H new ATOM 0 HG2 GLN A 45 12.691 2.439 -26.889 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.496 1.220 -27.282 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.112 3.742 -24.778 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.445 4.324 -24.713 1.00 0.00 H new ATOM 619 N GLU A 46 13.042 -1.937 -23.896 1.00 0.00 N ATOM 620 CA GLU A 46 14.011 -2.938 -23.502 1.00 0.00 C ATOM 621 C GLU A 46 13.539 -4.297 -24.005 1.00 0.00 C ATOM 622 O GLU A 46 14.339 -5.203 -24.242 1.00 0.00 O ATOM 623 CB GLU A 46 14.213 -2.932 -21.979 1.00 0.00 C ATOM 624 CG GLU A 46 13.265 -3.836 -21.210 1.00 0.00 C ATOM 625 CD GLU A 46 13.703 -5.288 -21.213 1.00 0.00 C ATOM 626 OE1 GLU A 46 14.661 -5.622 -20.488 1.00 0.00 O ATOM 627 OE2 GLU A 46 13.078 -6.092 -21.939 1.00 0.00 O ATOM 0 H GLU A 46 12.446 -1.608 -23.136 1.00 0.00 H new ATOM 0 HA GLU A 46 14.980 -2.713 -23.947 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.238 -3.233 -21.761 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.096 -1.911 -21.615 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.192 -3.486 -20.180 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.268 -3.761 -21.644 1.00 0.00 H new ATOM 634 N GLU A 47 12.229 -4.404 -24.218 1.00 0.00 N ATOM 635 CA GLU A 47 11.639 -5.629 -24.742 1.00 0.00 C ATOM 636 C GLU A 47 11.876 -5.735 -26.248 1.00 0.00 C ATOM 637 O GLU A 47 11.473 -6.711 -26.882 1.00 0.00 O ATOM 638 CB GLU A 47 10.138 -5.661 -24.446 1.00 0.00 C ATOM 639 CG GLU A 47 9.562 -7.066 -24.380 1.00 0.00 C ATOM 640 CD GLU A 47 9.274 -7.509 -22.960 1.00 0.00 C ATOM 641 OE1 GLU A 47 8.578 -6.767 -22.235 1.00 0.00 O ATOM 642 OE2 GLU A 47 9.747 -8.598 -22.570 1.00 0.00 O ATOM 0 H GLU A 47 11.559 -3.657 -24.035 1.00 0.00 H new ATOM 0 HA GLU A 47 12.115 -6.478 -24.253 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.952 -5.156 -23.498 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.612 -5.097 -25.216 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.642 -7.106 -24.963 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.261 -7.764 -24.840 1.00 0.00 H new ATOM 649 N ASN A 48 12.537 -4.727 -26.815 1.00 0.00 N ATOM 650 CA ASN A 48 12.831 -4.699 -28.233 1.00 0.00 C ATOM 651 C ASN A 48 14.116 -5.461 -28.553 1.00 0.00 C ATOM 652 O ASN A 48 14.568 -5.468 -29.695 1.00 0.00 O ATOM 653 CB ASN A 48 12.951 -3.252 -28.715 1.00 0.00 C ATOM 654 CG ASN A 48 12.117 -2.987 -29.951 1.00 0.00 C ATOM 655 OD1 ASN A 48 11.781 -3.910 -30.693 1.00 0.00 O ATOM 656 ND2 ASN A 48 11.782 -1.724 -30.182 1.00 0.00 N ATOM 0 H ASN A 48 12.879 -3.915 -26.301 1.00 0.00 H new ATOM 0 HA ASN A 48 12.009 -5.190 -28.754 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.638 -2.578 -27.917 1.00 0.00 H new ATOM 0 HB3 ASN A 48 13.996 -3.028 -28.930 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.224 -1.486 -31.002 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.083 -0.991 -29.540 1.00 0.00 H new ATOM 663 N TYR A 49 14.705 -6.104 -27.543 1.00 0.00 N ATOM 664 CA TYR A 49 15.939 -6.862 -27.744 1.00 0.00 C ATOM 665 C TYR A 49 15.662 -8.361 -27.704 1.00 0.00 C ATOM 666 O TYR A 49 16.257 -9.132 -28.454 1.00 0.00 O ATOM 667 CB TYR A 49 16.965 -6.495 -26.669 1.00 0.00 C ATOM 668 CG TYR A 49 17.843 -5.322 -27.040 1.00 0.00 C ATOM 669 CD1 TYR A 49 17.288 -4.114 -27.449 1.00 0.00 C ATOM 670 CD2 TYR A 49 19.227 -5.423 -26.987 1.00 0.00 C ATOM 671 CE1 TYR A 49 18.090 -3.041 -27.793 1.00 0.00 C ATOM 672 CE2 TYR A 49 20.034 -4.355 -27.328 1.00 0.00 C ATOM 673 CZ TYR A 49 19.462 -3.167 -27.729 1.00 0.00 C ATOM 674 OH TYR A 49 20.263 -2.100 -28.068 1.00 0.00 O ATOM 0 H TYR A 49 14.351 -6.115 -26.587 1.00 0.00 H new ATOM 0 HA TYR A 49 16.341 -6.607 -28.725 1.00 0.00 H new ATOM 0 HB2 TYR A 49 16.440 -6.265 -25.742 1.00 0.00 H new ATOM 0 HB3 TYR A 49 17.596 -7.361 -26.471 1.00 0.00 H new ATOM 0 HD1 TYR A 49 16.214 -4.012 -27.499 1.00 0.00 H new ATOM 0 HD2 TYR A 49 19.680 -6.352 -26.674 1.00 0.00 H new ATOM 0 HE1 TYR A 49 17.644 -2.110 -28.110 1.00 0.00 H new ATOM 0 HE2 TYR A 49 21.109 -4.451 -27.281 1.00 0.00 H new ATOM 0 HH TYR A 49 21.204 -2.353 -27.968 1.00 0.00 H new ATOM 684 N LEU A 50 14.747 -8.767 -26.828 1.00 0.00 N ATOM 685 CA LEU A 50 14.383 -10.174 -26.699 1.00 0.00 C ATOM 686 C LEU A 50 12.892 -10.325 -26.394 1.00 0.00 C ATOM 687 O LEU A 50 12.468 -10.150 -25.253 1.00 0.00 O ATOM 688 CB LEU A 50 15.220 -10.841 -25.603 1.00 0.00 C ATOM 689 CG LEU A 50 16.180 -11.925 -26.096 1.00 0.00 C ATOM 690 CD1 LEU A 50 17.108 -12.370 -24.976 1.00 0.00 C ATOM 691 CD2 LEU A 50 15.403 -13.110 -26.650 1.00 0.00 C ATOM 0 H LEU A 50 14.245 -8.142 -26.198 1.00 0.00 H new ATOM 0 HA LEU A 50 14.589 -10.668 -27.648 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.796 -10.073 -25.088 1.00 0.00 H new ATOM 0 HB3 LEU A 50 14.546 -11.280 -24.868 1.00 0.00 H new ATOM 0 HG LEU A 50 16.789 -11.507 -26.897 1.00 0.00 H new ATOM 0 HD11 LEU A 50 17.783 -13.141 -25.347 1.00 0.00 H new ATOM 0 HD12 LEU A 50 17.690 -11.518 -24.625 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.518 -12.771 -24.152 1.00 0.00 H new ATOM 0 HD21 LEU A 50 16.101 -13.872 -26.997 1.00 0.00 H new ATOM 0 HD22 LEU A 50 14.769 -13.527 -25.868 1.00 0.00 H new ATOM 0 HD23 LEU A 50 14.782 -12.781 -27.483 1.00 0.00 H new ATOM 703 N PRO A 51 12.067 -10.653 -27.410 1.00 0.00 N ATOM 704 CA PRO A 51 10.618 -10.824 -27.236 1.00 0.00 C ATOM 705 C PRO A 51 10.257 -11.596 -25.970 1.00 0.00 C ATOM 706 O PRO A 51 10.539 -12.789 -25.860 1.00 0.00 O ATOM 707 CB PRO A 51 10.234 -11.616 -28.480 1.00 0.00 C ATOM 708 CG PRO A 51 11.152 -11.081 -29.517 1.00 0.00 C ATOM 709 CD PRO A 51 12.472 -10.885 -28.814 1.00 0.00 C ATOM 0 HA PRO A 51 10.097 -9.873 -27.126 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.371 -12.687 -28.334 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.189 -11.462 -28.749 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.250 -11.775 -30.352 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.780 -10.141 -29.925 1.00 0.00 H new ATOM 0 HD2 PRO A 51 13.115 -11.760 -28.910 1.00 0.00 H new ATOM 0 HD3 PRO A 51 13.024 -10.038 -29.220 1.00 0.00 H new ATOM 717 N SER A 52 9.636 -10.907 -25.017 1.00 0.00 N ATOM 718 CA SER A 52 9.242 -11.534 -23.762 1.00 0.00 C ATOM 719 C SER A 52 7.882 -11.020 -23.278 1.00 0.00 C ATOM 720 O SER A 52 7.745 -10.590 -22.133 1.00 0.00 O ATOM 721 CB SER A 52 10.312 -11.284 -22.693 1.00 0.00 C ATOM 722 OG SER A 52 11.078 -12.453 -22.456 1.00 0.00 O ATOM 0 H SER A 52 9.396 -9.918 -25.090 1.00 0.00 H new ATOM 0 HA SER A 52 9.149 -12.606 -23.937 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.968 -10.474 -23.013 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.837 -10.963 -21.766 1.00 0.00 H new ATOM 0 HG SER A 52 11.755 -12.268 -21.772 1.00 0.00 H new ATOM 728 N PRO A 53 6.847 -11.064 -24.141 1.00 0.00 N ATOM 729 CA PRO A 53 5.506 -10.610 -23.779 1.00 0.00 C ATOM 730 C PRO A 53 4.704 -11.715 -23.107 1.00 0.00 C ATOM 731 O PRO A 53 3.793 -12.293 -23.701 1.00 0.00 O ATOM 732 CB PRO A 53 4.906 -10.250 -25.133 1.00 0.00 C ATOM 733 CG PRO A 53 5.528 -11.217 -26.087 1.00 0.00 C ATOM 734 CD PRO A 53 6.892 -11.564 -25.529 1.00 0.00 C ATOM 0 HA PRO A 53 5.509 -9.787 -23.065 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.820 -10.344 -25.124 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.134 -9.220 -25.407 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.913 -12.111 -26.188 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.617 -10.777 -27.080 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.075 -12.638 -25.561 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.690 -11.088 -26.099 1.00 0.00 H new ATOM 742 N CYS A 54 5.068 -12.018 -21.868 1.00 0.00 N ATOM 743 CA CYS A 54 4.420 -13.063 -21.094 1.00 0.00 C ATOM 744 C CYS A 54 3.061 -12.618 -20.524 1.00 0.00 C ATOM 745 O CYS A 54 2.379 -11.777 -21.105 1.00 0.00 O ATOM 746 CB CYS A 54 5.367 -13.503 -19.966 1.00 0.00 C ATOM 747 SG CYS A 54 5.440 -12.378 -18.518 1.00 0.00 S ATOM 0 H CYS A 54 5.823 -11.544 -21.372 1.00 0.00 H new ATOM 0 HA CYS A 54 4.212 -13.902 -21.758 1.00 0.00 H new ATOM 0 HB2 CYS A 54 5.061 -14.491 -19.622 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.371 -13.605 -20.377 1.00 0.00 H new ATOM 752 N GLN A 55 2.684 -13.215 -19.386 1.00 0.00 N ATOM 753 CA GLN A 55 1.419 -12.931 -18.690 1.00 0.00 C ATOM 754 C GLN A 55 0.950 -11.482 -18.854 1.00 0.00 C ATOM 755 O GLN A 55 1.757 -10.576 -19.067 1.00 0.00 O ATOM 756 CB GLN A 55 1.594 -13.241 -17.200 1.00 0.00 C ATOM 757 CG GLN A 55 0.333 -13.053 -16.373 1.00 0.00 C ATOM 758 CD GLN A 55 -0.165 -14.347 -15.765 1.00 0.00 C ATOM 759 OE1 GLN A 55 -0.262 -14.479 -14.546 1.00 0.00 O ATOM 760 NE2 GLN A 55 -0.490 -15.314 -16.618 1.00 0.00 N ATOM 0 H GLN A 55 3.255 -13.918 -18.916 1.00 0.00 H new ATOM 0 HA GLN A 55 0.653 -13.562 -19.140 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.936 -14.270 -17.092 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.379 -12.601 -16.797 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.529 -12.334 -15.577 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.449 -12.627 -17.002 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.394 -15.162 -17.622 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.835 -16.208 -16.268 1.00 0.00 H new ATOM 769 N SER A 56 -0.366 -11.276 -18.730 1.00 0.00 N ATOM 770 CA SER A 56 -0.958 -9.949 -18.839 1.00 0.00 C ATOM 771 C SER A 56 -2.473 -10.002 -18.637 1.00 0.00 C ATOM 772 O SER A 56 -3.097 -11.050 -18.808 1.00 0.00 O ATOM 773 CB SER A 56 -0.634 -9.329 -20.196 1.00 0.00 C ATOM 774 OG SER A 56 -1.163 -8.018 -20.299 1.00 0.00 O ATOM 0 H SER A 56 -1.040 -12.020 -18.553 1.00 0.00 H new ATOM 0 HA SER A 56 -0.529 -9.327 -18.053 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.446 -9.300 -20.337 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.043 -9.953 -20.991 1.00 0.00 H new ATOM 0 HG SER A 56 -0.940 -7.643 -21.177 1.00 0.00 H new ATOM 780 N GLY A 57 -3.058 -8.862 -18.272 1.00 0.00 N ATOM 781 CA GLY A 57 -4.498 -8.789 -18.054 1.00 0.00 C ATOM 782 C GLY A 57 -4.864 -8.844 -16.588 1.00 0.00 C ATOM 783 O GLY A 57 -4.796 -9.904 -15.965 1.00 0.00 O ATOM 0 H GLY A 57 -2.560 -7.984 -18.123 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.882 -7.865 -18.487 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.984 -9.612 -18.578 1.00 0.00 H new ATOM 787 N GLN A 58 -5.228 -7.694 -16.031 1.00 0.00 N ATOM 788 CA GLN A 58 -5.572 -7.607 -14.626 1.00 0.00 C ATOM 789 C GLN A 58 -6.970 -7.024 -14.383 1.00 0.00 C ATOM 790 O GLN A 58 -7.466 -6.223 -15.170 1.00 0.00 O ATOM 791 CB GLN A 58 -4.517 -6.771 -13.939 1.00 0.00 C ATOM 792 CG GLN A 58 -3.475 -7.621 -13.245 1.00 0.00 C ATOM 793 CD GLN A 58 -3.641 -7.637 -11.740 1.00 0.00 C ATOM 794 OE1 GLN A 58 -4.407 -6.851 -11.182 1.00 0.00 O ATOM 795 NE2 GLN A 58 -2.930 -8.538 -11.078 1.00 0.00 N ATOM 0 H GLN A 58 -5.291 -6.810 -16.537 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.600 -8.616 -14.214 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.030 -6.129 -14.673 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.993 -6.116 -13.210 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.534 -8.641 -13.624 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.482 -7.246 -13.493 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.308 -9.169 -11.584 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.005 -8.601 -10.063 1.00 0.00 H new ATOM 804 N LYS A 59 -7.613 -7.526 -13.326 1.00 0.00 N ATOM 805 CA LYS A 59 -9.009 -7.199 -12.972 1.00 0.00 C ATOM 806 C LYS A 59 -9.525 -5.943 -13.696 1.00 0.00 C ATOM 807 O LYS A 59 -9.435 -4.815 -13.211 1.00 0.00 O ATOM 808 CB LYS A 59 -9.063 -6.996 -11.446 1.00 0.00 C ATOM 809 CG LYS A 59 -10.300 -6.280 -10.920 1.00 0.00 C ATOM 810 CD LYS A 59 -9.935 -4.996 -10.184 1.00 0.00 C ATOM 811 CE LYS A 59 -10.135 -5.132 -8.680 1.00 0.00 C ATOM 812 NZ LYS A 59 -11.526 -5.540 -8.335 1.00 0.00 N ATOM 0 H LYS A 59 -7.177 -8.182 -12.678 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.656 -8.017 -13.288 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.998 -7.972 -10.965 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.182 -6.432 -11.141 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.967 -6.047 -11.750 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.846 -6.942 -10.248 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.896 -4.741 -10.391 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.546 -4.175 -10.560 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.434 -5.868 -8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.906 -4.182 -8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.781 -5.151 -7.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.183 -5.176 -9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.586 -6.578 -8.305 1.00 0.00 H new ATOM 826 N PRO A 60 -10.027 -6.184 -14.938 1.00 0.00 N ATOM 827 CA PRO A 60 -10.536 -5.159 -15.851 1.00 0.00 C ATOM 828 C PRO A 60 -11.596 -4.210 -15.306 1.00 0.00 C ATOM 829 O PRO A 60 -12.224 -4.446 -14.274 1.00 0.00 O ATOM 830 CB PRO A 60 -11.170 -5.956 -16.993 1.00 0.00 C ATOM 831 CG PRO A 60 -10.530 -7.293 -16.969 1.00 0.00 C ATOM 832 CD PRO A 60 -10.040 -7.523 -15.571 1.00 0.00 C ATOM 0 HA PRO A 60 -9.703 -4.505 -16.108 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.249 -6.038 -16.858 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.005 -5.462 -17.951 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.242 -8.066 -17.260 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.704 -7.337 -17.679 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.695 -8.207 -15.032 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.045 -7.968 -15.571 1.00 0.00 H new ATOM 840 N CYS A 61 -11.796 -3.142 -16.080 1.00 0.00 N ATOM 841 CA CYS A 61 -12.798 -2.129 -15.775 1.00 0.00 C ATOM 842 C CYS A 61 -13.207 -1.329 -16.996 1.00 0.00 C ATOM 843 O CYS A 61 -12.542 -1.334 -18.035 1.00 0.00 O ATOM 844 CB CYS A 61 -12.349 -1.183 -14.676 1.00 0.00 C ATOM 845 SG CYS A 61 -10.604 -0.689 -14.788 1.00 0.00 S ATOM 0 H CYS A 61 -11.268 -2.959 -16.933 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.667 -2.684 -15.421 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.971 -0.288 -14.705 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.519 -1.659 -13.710 1.00 0.00 H new ATOM 850 N GLY A 62 -14.343 -0.671 -16.854 1.00 0.00 N ATOM 851 CA GLY A 62 -14.948 0.106 -17.904 1.00 0.00 C ATOM 852 C GLY A 62 -14.469 1.533 -18.012 1.00 0.00 C ATOM 853 O GLY A 62 -15.136 2.376 -18.613 1.00 0.00 O ATOM 0 H GLY A 62 -14.877 -0.666 -15.985 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.764 -0.394 -18.855 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.027 0.114 -17.751 1.00 0.00 H new ATOM 857 N SER A 63 -13.282 1.809 -17.503 1.00 0.00 N ATOM 858 CA SER A 63 -12.706 3.121 -17.633 1.00 0.00 C ATOM 859 C SER A 63 -11.607 3.084 -18.703 1.00 0.00 C ATOM 860 O SER A 63 -10.573 3.751 -18.592 1.00 0.00 O ATOM 861 CB SER A 63 -12.162 3.623 -16.301 1.00 0.00 C ATOM 862 OG SER A 63 -11.990 5.032 -16.307 1.00 0.00 O ATOM 0 H SER A 63 -12.704 1.138 -16.997 1.00 0.00 H new ATOM 0 HA SER A 63 -13.483 3.821 -17.941 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.845 3.342 -15.499 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.208 3.140 -16.091 1.00 0.00 H new ATOM 0 HG SER A 63 -11.828 5.338 -17.224 1.00 0.00 H new ATOM 868 N GLY A 64 -11.865 2.297 -19.750 1.00 0.00 N ATOM 869 CA GLY A 64 -10.940 2.166 -20.864 1.00 0.00 C ATOM 870 C GLY A 64 -9.941 1.018 -20.729 1.00 0.00 C ATOM 871 O GLY A 64 -9.004 0.912 -21.517 1.00 0.00 O ATOM 0 H GLY A 64 -12.714 1.740 -19.844 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.513 2.026 -21.781 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.388 3.100 -20.973 1.00 0.00 H new ATOM 875 N GLY A 65 -10.126 0.183 -19.718 1.00 0.00 N ATOM 876 CA GLY A 65 -9.222 -0.913 -19.483 1.00 0.00 C ATOM 877 C GLY A 65 -9.252 -1.498 -18.101 1.00 0.00 C ATOM 878 O GLY A 65 -10.300 -1.613 -17.480 1.00 0.00 O ATOM 0 H GLY A 65 -10.896 0.250 -19.052 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.447 -1.705 -20.198 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.207 -0.574 -19.692 1.00 0.00 H new ATOM 882 N ARG A 66 -8.100 -1.996 -17.679 1.00 0.00 N ATOM 883 CA ARG A 66 -8.019 -2.710 -16.434 1.00 0.00 C ATOM 884 C ARG A 66 -7.628 -1.817 -15.294 1.00 0.00 C ATOM 885 O ARG A 66 -7.444 -0.624 -15.474 1.00 0.00 O ATOM 886 CB ARG A 66 -6.998 -3.844 -16.545 1.00 0.00 C ATOM 887 CG ARG A 66 -7.075 -4.629 -17.845 1.00 0.00 C ATOM 888 CD ARG A 66 -8.345 -5.443 -17.919 1.00 0.00 C ATOM 889 NE ARG A 66 -8.181 -6.655 -18.718 1.00 0.00 N ATOM 890 CZ ARG A 66 -9.009 -7.025 -19.696 1.00 0.00 C ATOM 891 NH1 ARG A 66 -10.062 -6.280 -20.010 1.00 0.00 N ATOM 892 NH2 ARG A 66 -8.792 -8.158 -20.348 1.00 0.00 N ATOM 0 H ARG A 66 -7.218 -1.915 -18.184 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.012 -3.110 -16.230 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.996 -3.426 -16.445 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.142 -4.530 -15.710 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.031 -3.942 -18.690 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.212 -5.290 -17.925 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.659 -5.715 -16.911 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.140 -4.833 -18.347 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.383 -7.256 -18.515 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.245 -5.415 -19.501 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.688 -6.573 -20.760 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.994 -8.744 -20.101 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.423 -8.445 -21.097 1.00 0.00 H new ATOM 906 N CYS A 67 -7.442 -2.411 -14.125 1.00 0.00 N ATOM 907 CA CYS A 67 -7.016 -1.664 -12.973 1.00 0.00 C ATOM 908 C CYS A 67 -5.524 -1.366 -13.065 1.00 0.00 C ATOM 909 O CYS A 67 -4.767 -1.623 -12.129 1.00 0.00 O ATOM 910 CB CYS A 67 -7.349 -2.431 -11.701 1.00 0.00 C ATOM 911 SG CYS A 67 -6.961 -1.532 -10.179 1.00 0.00 S ATOM 0 H CYS A 67 -7.582 -3.408 -13.959 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.548 -0.713 -12.943 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.411 -2.678 -11.705 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.802 -3.374 -11.704 1.00 0.00 H new ATOM 916 N ALA A 68 -5.117 -0.864 -14.227 1.00 0.00 N ATOM 917 CA ALA A 68 -3.718 -0.553 -14.536 1.00 0.00 C ATOM 918 C ALA A 68 -2.808 -0.384 -13.318 1.00 0.00 C ATOM 919 O ALA A 68 -1.888 -1.181 -13.139 1.00 0.00 O ATOM 920 CB ALA A 68 -3.639 0.669 -15.406 1.00 0.00 C ATOM 0 H ALA A 68 -5.756 -0.657 -14.994 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.340 -1.429 -15.063 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.595 0.890 -15.629 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.178 0.489 -16.336 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.086 1.516 -14.885 1.00 0.00 H new ATOM 926 N ALA A 69 -3.011 0.668 -12.518 1.00 0.00 N ATOM 927 CA ALA A 69 -2.156 0.950 -11.360 1.00 0.00 C ATOM 928 C ALA A 69 -2.874 1.849 -10.346 1.00 0.00 C ATOM 929 O ALA A 69 -3.665 2.717 -10.718 1.00 0.00 O ATOM 930 CB ALA A 69 -0.901 1.678 -11.801 1.00 0.00 C ATOM 0 H ALA A 69 -3.765 1.342 -12.653 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.911 -0.008 -10.901 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.274 1.882 -10.933 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.350 1.058 -12.508 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.175 2.618 -12.279 1.00 0.00 H new ATOM 936 N ALA A 70 -2.610 1.601 -9.058 1.00 0.00 N ATOM 937 CA ALA A 70 -3.245 2.352 -7.946 1.00 0.00 C ATOM 938 C ALA A 70 -4.459 3.097 -8.422 1.00 0.00 C ATOM 939 O ALA A 70 -4.442 4.317 -8.530 1.00 0.00 O ATOM 940 CB ALA A 70 -2.327 3.366 -7.298 1.00 0.00 C ATOM 0 H ALA A 70 -1.957 0.881 -8.749 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.505 1.591 -7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.858 3.876 -6.495 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.453 2.858 -6.890 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.007 4.095 -8.042 1.00 0.00 H new ATOM 946 N GLY A 71 -5.471 2.357 -8.790 1.00 0.00 N ATOM 947 CA GLY A 71 -6.637 2.976 -9.321 1.00 0.00 C ATOM 948 C GLY A 71 -6.287 3.741 -10.565 1.00 0.00 C ATOM 949 O GLY A 71 -6.130 4.956 -10.549 1.00 0.00 O ATOM 0 H GLY A 71 -5.505 1.339 -8.730 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.389 2.221 -9.548 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.072 3.647 -8.581 1.00 0.00 H new ATOM 953 N ILE A 72 -6.200 2.998 -11.634 1.00 0.00 N ATOM 954 CA ILE A 72 -5.903 3.502 -12.942 1.00 0.00 C ATOM 955 C ILE A 72 -6.460 2.515 -13.907 1.00 0.00 C ATOM 956 O ILE A 72 -5.890 1.451 -14.125 1.00 0.00 O ATOM 957 CB ILE A 72 -4.389 3.718 -13.185 1.00 0.00 C ATOM 958 CG1 ILE A 72 -3.972 5.050 -12.614 1.00 0.00 C ATOM 959 CG2 ILE A 72 -3.992 3.636 -14.654 1.00 0.00 C ATOM 960 CD1 ILE A 72 -3.993 6.183 -13.613 1.00 0.00 C ATOM 0 H ILE A 72 -6.340 1.988 -11.615 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.350 4.489 -13.063 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.869 2.904 -12.680 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.632 5.300 -11.783 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.966 4.959 -12.205 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.918 3.797 -14.750 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.248 2.652 -15.046 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.525 4.401 -15.218 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.680 7.105 -13.124 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.311 5.958 -14.433 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.003 6.304 -14.004 1.00 0.00 H new ATOM 972 N CYS A 73 -7.594 2.843 -14.456 1.00 0.00 N ATOM 973 CA CYS A 73 -8.209 1.964 -15.379 1.00 0.00 C ATOM 974 C CYS A 73 -7.583 2.301 -16.708 1.00 0.00 C ATOM 975 O CYS A 73 -7.846 3.349 -17.297 1.00 0.00 O ATOM 976 CB CYS A 73 -9.708 2.116 -15.308 1.00 0.00 C ATOM 977 SG CYS A 73 -10.625 0.815 -16.160 1.00 0.00 S ATOM 0 H CYS A 73 -8.101 3.710 -14.275 1.00 0.00 H new ATOM 0 HA CYS A 73 -8.048 0.906 -15.175 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -10.011 2.133 -14.261 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.985 3.080 -15.735 1.00 0.00 H new ATOM 982 N CYS A 74 -6.610 1.474 -17.081 1.00 0.00 N ATOM 983 CA CYS A 74 -5.802 1.760 -18.241 1.00 0.00 C ATOM 984 C CYS A 74 -5.492 0.568 -19.115 1.00 0.00 C ATOM 985 O CYS A 74 -5.305 -0.551 -18.650 1.00 0.00 O ATOM 986 CB CYS A 74 -4.473 2.333 -17.747 1.00 0.00 C ATOM 987 SG CYS A 74 -3.085 2.265 -18.947 1.00 0.00 S ATOM 0 H CYS A 74 -6.371 0.610 -16.595 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.380 2.449 -18.857 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.631 3.373 -17.459 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.178 1.794 -16.846 1.00 0.00 H new ATOM 992 N SER A 75 -5.394 0.875 -20.390 1.00 0.00 N ATOM 993 CA SER A 75 -5.034 -0.106 -21.383 1.00 0.00 C ATOM 994 C SER A 75 -3.839 0.452 -22.176 1.00 0.00 C ATOM 995 O SER A 75 -2.985 1.100 -21.571 1.00 0.00 O ATOM 996 CB SER A 75 -6.259 -0.362 -22.266 1.00 0.00 C ATOM 997 OG SER A 75 -7.326 -0.885 -21.508 1.00 0.00 O ATOM 0 H SER A 75 -5.562 1.809 -20.764 1.00 0.00 H new ATOM 0 HA SER A 75 -4.737 -1.059 -20.945 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.569 0.568 -22.744 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.998 -1.058 -23.063 1.00 0.00 H new ATOM 0 HG SER A 75 -8.168 -0.480 -21.805 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.759 0.333 -23.521 1.00 0.00 N ATOM 1004 CA PRO A 76 -2.679 0.944 -24.260 1.00 0.00 C ATOM 1005 C PRO A 76 -3.112 2.333 -24.705 1.00 0.00 C ATOM 1006 O PRO A 76 -2.295 3.222 -24.939 1.00 0.00 O ATOM 1007 CB PRO A 76 -2.501 0.012 -25.461 1.00 0.00 C ATOM 1008 CG PRO A 76 -3.742 -0.818 -25.545 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.670 -0.355 -24.450 1.00 0.00 C ATOM 0 HA PRO A 76 -1.757 1.064 -23.691 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.355 0.584 -26.377 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.621 -0.619 -25.335 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.214 -0.705 -26.521 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.505 -1.875 -25.426 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.442 0.314 -24.830 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.180 -1.191 -23.972 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.424 2.458 -24.857 1.00 0.00 N ATOM 1018 CA ASP A 77 -5.122 3.675 -25.320 1.00 0.00 C ATOM 1019 C ASP A 77 -4.820 4.804 -24.397 1.00 0.00 C ATOM 1020 O ASP A 77 -4.274 5.826 -24.806 1.00 0.00 O ATOM 1021 CB ASP A 77 -6.632 3.433 -25.387 1.00 0.00 C ATOM 1022 CG ASP A 77 -7.247 4.001 -26.649 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -7.009 5.191 -26.939 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -7.975 3.258 -27.338 1.00 0.00 O ATOM 0 H ASP A 77 -5.066 1.691 -24.656 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.772 3.927 -26.321 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.829 2.362 -25.339 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.110 3.884 -24.517 1.00 0.00 H new ATOM 1029 N GLY A 78 -5.063 4.574 -23.099 1.00 0.00 N ATOM 1030 CA GLY A 78 -4.684 5.554 -22.098 1.00 0.00 C ATOM 1031 C GLY A 78 -4.928 5.084 -20.686 1.00 0.00 C ATOM 1032 O GLY A 78 -5.820 4.262 -20.453 1.00 0.00 O ATOM 0 H GLY A 78 -5.511 3.734 -22.733 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.628 5.795 -22.217 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.242 6.474 -22.270 1.00 0.00 H new ATOM 1036 N CYS A 79 -4.193 5.631 -19.735 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.415 5.283 -18.351 1.00 0.00 C ATOM 1038 C CYS A 79 -5.012 6.418 -17.611 1.00 0.00 C ATOM 1039 O CYS A 79 -4.654 7.573 -17.825 1.00 0.00 O ATOM 1040 CB CYS A 79 -3.156 4.914 -17.593 1.00 0.00 C ATOM 1041 SG CYS A 79 -1.981 3.909 -18.534 1.00 0.00 S ATOM 0 H CYS A 79 -3.448 6.309 -19.896 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.074 4.416 -18.398 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.658 5.829 -17.274 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.436 4.372 -16.690 1.00 0.00 H new ATOM 1046 N GLU A 80 -5.914 6.082 -16.743 1.00 0.00 N ATOM 1047 CA GLU A 80 -6.570 7.083 -15.951 1.00 0.00 C ATOM 1048 C GLU A 80 -6.949 6.543 -14.590 1.00 0.00 C ATOM 1049 O GLU A 80 -7.434 5.416 -14.469 1.00 0.00 O ATOM 1050 CB GLU A 80 -7.802 7.601 -16.684 1.00 0.00 C ATOM 1051 CG GLU A 80 -8.855 6.535 -16.939 1.00 0.00 C ATOM 1052 CD GLU A 80 -10.263 7.084 -16.854 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -10.603 7.695 -15.821 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -11.031 6.907 -17.826 1.00 0.00 O ATOM 0 H GLU A 80 -6.215 5.124 -16.562 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.875 7.909 -15.797 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.248 8.407 -16.102 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.493 8.029 -17.638 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.696 6.100 -17.926 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.737 5.730 -16.213 1.00 0.00 H new ATOM 1061 N GLU A 81 -6.722 7.350 -13.564 1.00 0.00 N ATOM 1062 CA GLU A 81 -7.019 6.967 -12.207 1.00 0.00 C ATOM 1063 C GLU A 81 -8.444 6.500 -12.119 1.00 0.00 C ATOM 1064 O GLU A 81 -9.374 7.284 -12.282 1.00 0.00 O ATOM 1065 CB GLU A 81 -6.776 8.141 -11.252 1.00 0.00 C ATOM 1066 CG GLU A 81 -7.172 9.481 -11.820 1.00 0.00 C ATOM 1067 CD GLU A 81 -6.057 10.502 -11.756 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -5.754 10.979 -10.641 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -5.482 10.823 -12.816 1.00 0.00 O ATOM 0 H GLU A 81 -6.327 8.286 -13.657 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.358 6.152 -11.913 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.333 7.969 -10.331 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.719 8.168 -10.986 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.481 9.353 -12.857 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.036 9.860 -11.274 1.00 0.00 H new ATOM 1076 N ASP A 82 -8.610 5.214 -11.856 1.00 0.00 N ATOM 1077 CA ASP A 82 -9.922 4.650 -11.753 1.00 0.00 C ATOM 1078 C ASP A 82 -10.354 4.514 -10.300 1.00 0.00 C ATOM 1079 O ASP A 82 -9.973 3.576 -9.601 1.00 0.00 O ATOM 1080 CB ASP A 82 -10.038 3.318 -12.515 1.00 0.00 C ATOM 1081 CG ASP A 82 -9.056 2.249 -12.082 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -8.495 2.382 -10.991 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -8.866 1.266 -12.835 1.00 0.00 O ATOM 0 H ASP A 82 -7.847 4.552 -11.712 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.612 5.344 -12.233 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.050 2.933 -12.392 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.897 3.511 -13.579 1.00 0.00 H new ATOM 1088 N PRO A 83 -11.200 5.461 -9.840 1.00 0.00 N ATOM 1089 CA PRO A 83 -11.750 5.454 -8.492 1.00 0.00 C ATOM 1090 C PRO A 83 -12.480 4.143 -8.261 1.00 0.00 C ATOM 1091 O PRO A 83 -12.754 3.722 -7.138 1.00 0.00 O ATOM 1092 CB PRO A 83 -12.719 6.644 -8.503 1.00 0.00 C ATOM 1093 CG PRO A 83 -12.173 7.519 -9.550 1.00 0.00 C ATOM 1094 CD PRO A 83 -11.702 6.585 -10.612 1.00 0.00 C ATOM 0 HA PRO A 83 -11.005 5.538 -7.700 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.737 6.331 -8.732 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.750 7.146 -7.536 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.932 8.202 -9.931 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.355 8.131 -9.169 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.510 6.290 -11.281 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.924 7.033 -11.231 1.00 0.00 H new ATOM 1102 N ALA A 84 -12.705 3.484 -9.375 1.00 0.00 N ATOM 1103 CA ALA A 84 -13.291 2.194 -9.424 1.00 0.00 C ATOM 1104 C ALA A 84 -12.318 1.211 -8.802 1.00 0.00 C ATOM 1105 O ALA A 84 -12.675 0.094 -8.430 1.00 0.00 O ATOM 1106 CB ALA A 84 -13.517 1.864 -10.882 1.00 0.00 C ATOM 0 H ALA A 84 -12.472 3.857 -10.295 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.236 2.149 -8.882 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.968 0.875 -10.966 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.183 2.605 -11.324 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.563 1.873 -11.409 1.00 0.00 H new ATOM 1112 N CYS A 85 -11.071 1.660 -8.723 1.00 0.00 N ATOM 1113 CA CYS A 85 -10.016 0.854 -8.178 1.00 0.00 C ATOM 1114 C CYS A 85 -9.297 1.405 -6.935 1.00 0.00 C ATOM 1115 O CYS A 85 -8.851 0.583 -6.145 1.00 0.00 O ATOM 1116 CB CYS A 85 -8.998 0.474 -9.235 1.00 0.00 C ATOM 1117 SG CYS A 85 -8.791 -1.321 -9.365 1.00 0.00 S ATOM 0 H CYS A 85 -10.777 2.586 -9.035 1.00 0.00 H new ATOM 0 HA CYS A 85 -10.549 -0.028 -7.823 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -9.311 0.873 -10.200 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.039 0.933 -8.996 1.00 0.00 H new ATOM 1122 N ASP A 86 -9.125 2.744 -6.711 1.00 0.00 N ATOM 1123 CA ASP A 86 -8.362 3.127 -5.474 1.00 0.00 C ATOM 1124 C ASP A 86 -7.854 4.575 -5.239 1.00 0.00 C ATOM 1125 O ASP A 86 -7.521 4.894 -4.101 1.00 0.00 O ATOM 1126 CB ASP A 86 -7.055 2.355 -5.488 1.00 0.00 C ATOM 1127 CG ASP A 86 -6.449 2.198 -4.110 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -5.812 3.157 -3.630 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -6.612 1.114 -3.514 1.00 0.00 O ATOM 0 H ASP A 86 -9.462 3.507 -7.298 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.121 2.938 -4.715 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.226 1.368 -5.919 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.344 2.867 -6.136 1.00 0.00 H new ATOM 1134 N PRO A 87 -7.634 5.423 -6.249 1.00 0.00 N ATOM 1135 CA PRO A 87 -7.008 6.723 -6.045 1.00 0.00 C ATOM 1136 C PRO A 87 -7.978 7.842 -6.014 1.00 0.00 C ATOM 1137 O PRO A 87 -8.219 8.465 -4.976 1.00 0.00 O ATOM 1138 CB PRO A 87 -6.119 6.853 -7.283 1.00 0.00 C ATOM 1139 CG PRO A 87 -6.526 5.736 -8.176 1.00 0.00 C ATOM 1140 CD PRO A 87 -7.830 5.214 -7.657 1.00 0.00 C ATOM 0 HA PRO A 87 -6.489 6.776 -5.088 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.261 7.818 -7.770 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.064 6.781 -7.019 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.631 6.083 -9.204 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.770 4.951 -8.180 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.685 5.766 -8.046 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.988 4.165 -7.905 1.00 0.00 H new ATOM 1148 N GLU A 88 -8.560 8.063 -7.164 1.00 0.00 N ATOM 1149 CA GLU A 88 -9.566 9.092 -7.296 1.00 0.00 C ATOM 1150 C GLU A 88 -10.838 8.513 -6.686 1.00 0.00 C ATOM 1151 O GLU A 88 -11.922 9.077 -6.737 1.00 0.00 O ATOM 1152 CB GLU A 88 -9.755 9.384 -8.787 1.00 0.00 C ATOM 1153 CG GLU A 88 -10.364 10.738 -9.076 1.00 0.00 C ATOM 1154 CD GLU A 88 -9.730 11.417 -10.269 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -9.779 10.839 -11.376 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -9.188 12.528 -10.099 1.00 0.00 O ATOM 0 H GLU A 88 -8.358 7.548 -8.021 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.296 10.023 -6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.788 9.318 -9.285 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.390 8.611 -9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.433 10.621 -9.255 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.255 11.376 -8.199 1.00 0.00 H new ATOM 1163 N ALA A 89 -10.611 7.276 -6.229 1.00 0.00 N ATOM 1164 CA ALA A 89 -11.572 6.331 -5.690 1.00 0.00 C ATOM 1165 C ALA A 89 -12.206 6.591 -4.331 1.00 0.00 C ATOM 1166 O ALA A 89 -11.952 7.555 -3.609 1.00 0.00 O ATOM 1167 CB ALA A 89 -10.860 4.983 -5.642 1.00 0.00 C ATOM 0 H ALA A 89 -9.668 6.886 -6.231 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.431 6.406 -6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.537 4.228 -5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.552 4.698 -6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.982 5.058 -5.001 1.00 0.00 H new ATOM 1173 N ALA A 90 -12.966 5.551 -4.045 1.00 0.00 N ATOM 1174 CA ALA A 90 -13.688 5.228 -2.860 1.00 0.00 C ATOM 1175 C ALA A 90 -12.860 4.193 -2.097 1.00 0.00 C ATOM 1176 O ALA A 90 -11.672 4.038 -2.358 1.00 0.00 O ATOM 1177 CB ALA A 90 -15.008 4.613 -3.282 1.00 0.00 C ATOM 0 H ALA A 90 -13.099 4.822 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.869 6.103 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.588 4.353 -2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.567 5.329 -3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.819 3.714 -3.869 1.00 0.00 H new ATOM 1183 N PHE A 91 -13.500 3.431 -1.229 1.00 0.00 N ATOM 1184 CA PHE A 91 -12.807 2.360 -0.527 1.00 0.00 C ATOM 1185 C PHE A 91 -12.713 1.217 -1.521 1.00 0.00 C ATOM 1186 O PHE A 91 -13.195 0.107 -1.292 1.00 0.00 O ATOM 1187 CB PHE A 91 -13.555 1.932 0.744 1.00 0.00 C ATOM 1188 CG PHE A 91 -14.926 1.358 0.498 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -15.859 2.041 -0.262 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -15.279 0.132 1.031 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -17.109 1.520 -0.489 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -16.535 -0.399 0.807 1.00 0.00 C ATOM 1193 CZ PHE A 91 -17.450 0.297 0.045 1.00 0.00 C ATOM 0 H PHE A 91 -14.487 3.530 -0.993 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.823 2.684 -0.189 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -12.954 1.192 1.272 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -13.649 2.795 1.403 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -15.600 3.001 -0.684 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -14.566 -0.416 1.629 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -17.823 2.068 -1.085 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -16.800 -1.358 1.228 1.00 0.00 H new ATOM 0 HZ PHE A 91 -18.432 -0.116 -0.133 1.00 0.00 H new ATOM 1203 N SER A 92 -12.094 1.545 -2.653 1.00 0.00 N ATOM 1204 CA SER A 92 -11.914 0.631 -3.756 1.00 0.00 C ATOM 1205 C SER A 92 -10.474 0.131 -3.825 1.00 0.00 C ATOM 1206 O SER A 92 -9.554 0.943 -3.591 1.00 0.00 O ATOM 1207 CB SER A 92 -12.305 1.339 -5.063 1.00 0.00 C ATOM 1208 OG SER A 92 -11.817 0.645 -6.195 1.00 0.00 O ATOM 1209 OXT SER A 92 -10.279 -1.067 -4.118 1.00 0.00 O ATOM 0 H SER A 92 -11.701 2.471 -2.823 1.00 0.00 H new ATOM 0 HA SER A 92 -12.555 -0.238 -3.607 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.390 1.419 -5.124 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.910 2.355 -5.060 1.00 0.00 H new ATOM 0 HG SER A 92 -12.561 0.197 -6.650 1.00 0.00 H new TER 1215 SER A 92