USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 511 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 Single : A 1 ALA N :NH3+ -100:sc= 0.0109 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 76:sc= 0.829 USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 SER OG : rot 85:sc= 0.0465 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -67:sc= 1.21 USER MOD Single : A 41 GLN : amide:sc= -0.0134 K(o=-0.013,f=-2.8!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -74:sc= 1.25 USER MOD Single : A 61 TYR OH : rot 30:sc= 1.14 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0278 USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= 1.02 (180deg=0.84) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.232 -12.402 -9.689 1.00 25.00 N ATOM 2 CA ALA A 1 -15.865 -12.953 -9.587 1.00 25.00 C ATOM 3 C ALA A 1 -14.880 -12.024 -8.879 1.00 25.00 C ATOM 4 O ALA A 1 -15.061 -10.830 -8.791 1.00 25.00 O ATOM 5 CB ALA A 1 -15.374 -13.277 -11.005 1.00 25.00 C ATOM 0 H1 ALA A 1 -17.830 -12.818 -8.947 1.00 25.00 H new ATOM 0 H2 ALA A 1 -17.200 -11.369 -9.569 1.00 25.00 H new ATOM 0 H3 ALA A 1 -17.629 -12.630 -10.623 1.00 25.00 H new ATOM 0 HA ALA A 1 -15.911 -13.850 -8.970 1.00 25.00 H new ATOM 0 HB1 ALA A 1 -14.365 -13.686 -10.956 1.00 25.00 H new ATOM 0 HB2 ALA A 1 -16.040 -14.008 -11.462 1.00 25.00 H new ATOM 0 HB3 ALA A 1 -15.368 -12.367 -11.605 1.00 25.00 H new ATOM 10 N TYR A 2 -13.810 -12.625 -8.358 1.00 25.00 N ATOM 11 CA TYR A 2 -12.754 -11.901 -7.657 1.00 25.00 C ATOM 12 C TYR A 2 -11.665 -11.500 -8.647 1.00 25.00 C ATOM 13 O TYR A 2 -11.557 -12.068 -9.740 1.00 25.00 O ATOM 14 CB TYR A 2 -12.169 -12.789 -6.547 1.00 25.00 C ATOM 15 CG TYR A 2 -11.877 -14.209 -6.991 1.00 25.00 C ATOM 16 CD1 TYR A 2 -12.805 -15.247 -6.748 1.00 25.00 C ATOM 17 CD2 TYR A 2 -10.677 -14.530 -7.658 1.00 25.00 C ATOM 18 CE1 TYR A 2 -12.542 -16.578 -7.174 1.00 25.00 C ATOM 19 CE2 TYR A 2 -10.412 -15.859 -8.086 1.00 25.00 C ATOM 20 CZ TYR A 2 -11.346 -16.866 -7.840 1.00 25.00 C ATOM 21 OH TYR A 2 -11.089 -18.149 -8.252 1.00 25.00 O ATOM 0 H TYR A 2 -13.653 -13.631 -8.412 1.00 25.00 H new ATOM 0 HA TYR A 2 -13.167 -10.999 -7.204 1.00 25.00 H new ATOM 0 HB2 TYR A 2 -11.248 -12.336 -6.180 1.00 25.00 H new ATOM 0 HB3 TYR A 2 -12.867 -12.816 -5.710 1.00 25.00 H new ATOM 0 HD1 TYR A 2 -13.727 -15.026 -6.231 1.00 25.00 H new ATOM 0 HD2 TYR A 2 -9.949 -13.755 -7.846 1.00 25.00 H new ATOM 0 HE1 TYR A 2 -13.261 -17.361 -6.985 1.00 25.00 H new ATOM 0 HE2 TYR A 2 -9.490 -16.089 -8.600 1.00 25.00 H new ATOM 0 HH TYR A 2 -10.218 -18.181 -8.699 1.00 25.00 H new ATOM 31 N ARG A 3 -10.855 -10.525 -8.267 1.00 25.00 N ATOM 32 CA ARG A 3 -9.741 -10.073 -9.084 1.00 25.00 C ATOM 33 C ARG A 3 -8.674 -11.164 -9.077 1.00 25.00 C ATOM 34 O ARG A 3 -8.461 -11.812 -8.057 1.00 25.00 O ATOM 35 CB ARG A 3 -9.144 -8.823 -8.444 1.00 25.00 C ATOM 36 CG ARG A 3 -8.897 -7.656 -9.354 1.00 25.00 C ATOM 37 CD ARG A 3 -7.968 -6.702 -8.623 1.00 25.00 C ATOM 38 NE ARG A 3 -7.545 -5.541 -9.423 1.00 25.00 N ATOM 39 CZ ARG A 3 -6.432 -4.840 -9.210 1.00 25.00 C ATOM 40 NH1 ARG A 3 -5.570 -5.148 -8.270 1.00 25.00 N ATOM 41 NH2 ARG A 3 -6.177 -3.809 -9.967 1.00 25.00 N ATOM 0 H ARG A 3 -10.952 -10.025 -7.383 1.00 25.00 H new ATOM 0 HA ARG A 3 -10.075 -9.860 -10.100 1.00 25.00 H new ATOM 0 HB2 ARG A 3 -9.811 -8.497 -7.645 1.00 25.00 H new ATOM 0 HB3 ARG A 3 -8.198 -9.098 -7.977 1.00 25.00 H new ATOM 0 HG2 ARG A 3 -8.448 -7.987 -10.291 1.00 25.00 H new ATOM 0 HG3 ARG A 3 -9.835 -7.161 -9.607 1.00 25.00 H new ATOM 0 HD2 ARG A 3 -8.467 -6.346 -7.722 1.00 25.00 H new ATOM 0 HD3 ARG A 3 -7.082 -7.250 -8.302 1.00 25.00 H new ATOM 0 HE ARG A 3 -8.146 -5.253 -10.195 1.00 25.00 H new ATOM 0 HH11 ARG A 3 -5.739 -5.953 -7.667 1.00 25.00 H new ATOM 0 HH12 ARG A 3 -4.731 -4.583 -8.143 1.00 25.00 H new ATOM 0 HH21 ARG A 3 -6.826 -3.549 -10.710 1.00 25.00 H new ATOM 0 HH22 ARG A 3 -5.329 -3.263 -9.816 1.00 25.00 H new ATOM 55 N PRO A 4 -7.923 -11.314 -10.179 1.00 25.00 N ATOM 56 CA PRO A 4 -6.775 -12.234 -10.147 1.00 25.00 C ATOM 57 C PRO A 4 -5.724 -11.836 -9.103 1.00 25.00 C ATOM 58 O PRO A 4 -5.035 -12.685 -8.552 1.00 25.00 O ATOM 59 CB PRO A 4 -6.176 -12.093 -11.554 1.00 25.00 C ATOM 60 CG PRO A 4 -7.284 -11.564 -12.391 1.00 25.00 C ATOM 61 CD PRO A 4 -8.044 -10.648 -11.484 1.00 25.00 C ATOM 0 HA PRO A 4 -7.081 -13.246 -9.880 1.00 25.00 H new ATOM 0 HB2 PRO A 4 -5.323 -11.415 -11.554 1.00 25.00 H new ATOM 0 HB3 PRO A 4 -5.820 -13.052 -11.930 1.00 25.00 H new ATOM 0 HG2 PRO A 4 -6.902 -11.031 -13.262 1.00 25.00 H new ATOM 0 HG3 PRO A 4 -7.918 -12.369 -12.762 1.00 25.00 H new ATOM 0 HD2 PRO A 4 -7.616 -9.646 -11.469 1.00 25.00 H new ATOM 0 HD3 PRO A 4 -9.085 -10.545 -11.791 1.00 25.00 H new ATOM 69 N SER A 5 -5.608 -10.535 -8.863 1.00 25.00 N ATOM 70 CA SER A 5 -4.622 -9.987 -7.931 1.00 25.00 C ATOM 71 C SER A 5 -5.271 -9.048 -6.920 1.00 25.00 C ATOM 72 O SER A 5 -5.254 -7.834 -7.090 1.00 25.00 O ATOM 73 CB SER A 5 -3.551 -9.216 -8.697 1.00 25.00 C ATOM 74 OG SER A 5 -2.983 -10.018 -9.720 1.00 25.00 O ATOM 0 H SER A 5 -6.194 -9.828 -9.308 1.00 25.00 H new ATOM 0 HA SER A 5 -4.176 -10.825 -7.397 1.00 25.00 H new ATOM 0 HB2 SER A 5 -3.987 -8.317 -9.134 1.00 25.00 H new ATOM 0 HB3 SER A 5 -2.770 -8.890 -8.010 1.00 25.00 H new ATOM 0 HG SER A 5 -2.301 -9.503 -10.199 1.00 25.00 H new ATOM 80 N GLU A 6 -5.855 -9.610 -5.874 1.00 25.00 N ATOM 81 CA GLU A 6 -6.471 -8.806 -4.805 1.00 25.00 C ATOM 82 C GLU A 6 -5.380 -8.270 -3.888 1.00 25.00 C ATOM 83 O GLU A 6 -5.618 -7.455 -2.999 1.00 25.00 O ATOM 84 CB GLU A 6 -7.439 -9.663 -3.985 1.00 25.00 C ATOM 85 CG GLU A 6 -8.553 -10.293 -4.807 1.00 25.00 C ATOM 86 CD GLU A 6 -9.685 -9.318 -5.158 1.00 25.00 C ATOM 87 OE1 GLU A 6 -10.778 -9.800 -5.537 1.00 25.00 O ATOM 88 OE2 GLU A 6 -9.473 -8.086 -5.137 1.00 25.00 O ATOM 0 H GLU A 6 -5.921 -10.618 -5.733 1.00 25.00 H new ATOM 0 HA GLU A 6 -7.021 -7.980 -5.256 1.00 25.00 H new ATOM 0 HB2 GLU A 6 -6.877 -10.453 -3.487 1.00 25.00 H new ATOM 0 HB3 GLU A 6 -7.882 -9.046 -3.203 1.00 25.00 H new ATOM 0 HG2 GLU A 6 -8.131 -10.693 -5.729 1.00 25.00 H new ATOM 0 HG3 GLU A 6 -8.969 -11.136 -4.254 1.00 25.00 H new ATOM 95 N THR A 7 -4.178 -8.761 -4.121 1.00 25.00 N ATOM 96 CA THR A 7 -2.999 -8.367 -3.365 1.00 25.00 C ATOM 97 C THR A 7 -2.034 -7.612 -4.275 1.00 25.00 C ATOM 98 O THR A 7 -2.163 -7.639 -5.502 1.00 25.00 O ATOM 99 CB THR A 7 -2.290 -9.612 -2.788 1.00 25.00 C ATOM 100 OG1 THR A 7 -1.985 -10.522 -3.849 1.00 25.00 O ATOM 101 CG2 THR A 7 -3.180 -10.338 -1.797 1.00 25.00 C ATOM 0 H THR A 7 -3.988 -9.452 -4.847 1.00 25.00 H new ATOM 0 HA THR A 7 -3.310 -7.722 -2.543 1.00 25.00 H new ATOM 0 HB THR A 7 -1.383 -9.276 -2.285 1.00 25.00 H new ATOM 0 HG1 THR A 7 -1.534 -11.311 -3.483 1.00 25.00 H new ATOM 0 HG21 THR A 7 -2.655 -11.210 -1.407 1.00 25.00 H new ATOM 0 HG22 THR A 7 -3.431 -9.668 -0.975 1.00 25.00 H new ATOM 0 HG23 THR A 7 -4.095 -10.658 -2.296 1.00 25.00 H new ATOM 109 N LEU A 8 -1.073 -6.942 -3.661 1.00 25.00 N ATOM 110 CA LEU A 8 -0.044 -6.181 -4.358 1.00 25.00 C ATOM 111 C LEU A 8 1.304 -6.686 -3.883 1.00 25.00 C ATOM 112 O LEU A 8 1.596 -6.620 -2.694 1.00 25.00 O ATOM 113 CB LEU A 8 -0.118 -4.701 -3.973 1.00 25.00 C ATOM 114 CG LEU A 8 -1.051 -3.690 -4.642 1.00 25.00 C ATOM 115 CD1 LEU A 8 -1.126 -3.902 -6.130 1.00 25.00 C ATOM 116 CD2 LEU A 8 -2.417 -3.680 -4.034 1.00 25.00 C ATOM 0 H LEU A 8 -0.983 -6.910 -2.646 1.00 25.00 H new ATOM 0 HA LEU A 8 -0.183 -6.296 -5.433 1.00 25.00 H new ATOM 0 HB2 LEU A 8 -0.353 -4.674 -2.909 1.00 25.00 H new ATOM 0 HB3 LEU A 8 0.891 -4.306 -4.087 1.00 25.00 H new ATOM 0 HG LEU A 8 -0.614 -2.708 -4.463 1.00 25.00 H new ATOM 0 HD11 LEU A 8 -1.798 -3.165 -6.569 1.00 25.00 H new ATOM 0 HD12 LEU A 8 -0.132 -3.791 -6.564 1.00 25.00 H new ATOM 0 HD13 LEU A 8 -1.502 -4.904 -6.336 1.00 25.00 H new ATOM 0 HD21 LEU A 8 -3.038 -2.945 -4.546 1.00 25.00 H new ATOM 0 HD22 LEU A 8 -2.867 -4.668 -4.134 1.00 25.00 H new ATOM 0 HD23 LEU A 8 -2.343 -3.420 -2.978 1.00 25.00 H new ATOM 128 N CYS A 9 2.137 -7.168 -4.793 1.00 25.00 N ATOM 129 CA CYS A 9 3.454 -7.689 -4.397 1.00 25.00 C ATOM 130 C CYS A 9 4.631 -7.219 -5.255 1.00 25.00 C ATOM 131 O CYS A 9 5.741 -7.042 -4.753 1.00 25.00 O ATOM 132 CB CYS A 9 3.413 -9.217 -4.404 1.00 25.00 C ATOM 133 SG CYS A 9 4.417 -9.952 -3.074 1.00 25.00 S ATOM 0 H CYS A 9 1.939 -7.213 -5.793 1.00 25.00 H new ATOM 0 HA CYS A 9 3.637 -7.285 -3.401 1.00 25.00 H new ATOM 0 HB2 CYS A 9 2.380 -9.549 -4.300 1.00 25.00 H new ATOM 0 HB3 CYS A 9 3.770 -9.582 -5.367 1.00 25.00 H new ATOM 138 N GLY A 10 4.397 -7.033 -6.544 1.00 25.00 N ATOM 139 CA GLY A 10 5.455 -6.602 -7.450 1.00 25.00 C ATOM 140 C GLY A 10 5.583 -5.089 -7.531 1.00 25.00 C ATOM 141 O GLY A 10 5.304 -4.377 -6.572 1.00 25.00 O ATOM 0 H GLY A 10 3.489 -7.172 -6.987 1.00 25.00 H new ATOM 0 HA2 GLY A 10 6.404 -7.025 -7.120 1.00 25.00 H new ATOM 0 HA3 GLY A 10 5.258 -6.999 -8.446 1.00 25.00 H new ATOM 145 N GLY A 11 5.954 -4.585 -8.704 1.00 25.00 N ATOM 146 CA GLY A 11 6.054 -3.139 -8.913 1.00 25.00 C ATOM 147 C GLY A 11 4.694 -2.470 -8.795 1.00 25.00 C ATOM 148 O GLY A 11 4.576 -1.288 -8.527 1.00 25.00 O ATOM 0 H GLY A 11 6.189 -5.149 -9.521 1.00 25.00 H new ATOM 0 HA2 GLY A 11 6.738 -2.710 -8.181 1.00 25.00 H new ATOM 0 HA3 GLY A 11 6.476 -2.940 -9.898 1.00 25.00 H new ATOM 152 N GLU A 12 3.664 -3.289 -8.914 1.00 25.00 N ATOM 153 CA GLU A 12 2.274 -2.894 -8.697 1.00 25.00 C ATOM 154 C GLU A 12 2.045 -2.338 -7.274 1.00 25.00 C ATOM 155 O GLU A 12 1.198 -1.474 -7.066 1.00 25.00 O ATOM 156 CB GLU A 12 1.414 -4.147 -8.925 1.00 25.00 C ATOM 157 CG GLU A 12 1.804 -5.290 -7.965 1.00 25.00 C ATOM 158 CD GLU A 12 1.272 -6.644 -8.334 1.00 25.00 C ATOM 159 OE1 GLU A 12 1.703 -7.592 -7.634 1.00 25.00 O ATOM 160 OE2 GLU A 12 0.550 -6.804 -9.331 1.00 25.00 O ATOM 0 H GLU A 12 3.768 -4.271 -9.170 1.00 25.00 H new ATOM 0 HA GLU A 12 2.005 -2.093 -9.386 1.00 25.00 H new ATOM 0 HB2 GLU A 12 0.362 -3.897 -8.785 1.00 25.00 H new ATOM 0 HB3 GLU A 12 1.527 -4.483 -9.956 1.00 25.00 H new ATOM 0 HG2 GLU A 12 2.891 -5.346 -7.915 1.00 25.00 H new ATOM 0 HG3 GLU A 12 1.451 -5.039 -6.965 1.00 25.00 H new ATOM 167 N LEU A 13 2.817 -2.807 -6.296 1.00 25.00 N ATOM 168 CA LEU A 13 2.678 -2.325 -4.923 1.00 25.00 C ATOM 169 C LEU A 13 3.248 -0.928 -4.848 1.00 25.00 C ATOM 170 O LEU A 13 2.675 -0.045 -4.231 1.00 25.00 O ATOM 171 CB LEU A 13 3.427 -3.253 -3.948 1.00 25.00 C ATOM 172 CG LEU A 13 3.396 -2.898 -2.442 1.00 25.00 C ATOM 173 CD1 LEU A 13 2.024 -2.497 -1.906 1.00 25.00 C ATOM 174 CD2 LEU A 13 3.905 -4.071 -1.652 1.00 25.00 C ATOM 0 H LEU A 13 3.540 -3.515 -6.426 1.00 25.00 H new ATOM 0 HA LEU A 13 1.625 -2.317 -4.641 1.00 25.00 H new ATOM 0 HB2 LEU A 13 3.020 -4.258 -4.063 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.470 -3.294 -4.260 1.00 25.00 H new ATOM 0 HG LEU A 13 4.031 -2.019 -2.329 1.00 25.00 H new ATOM 0 HD11 LEU A 13 2.102 -2.267 -0.843 1.00 25.00 H new ATOM 0 HD12 LEU A 13 1.666 -1.618 -2.443 1.00 25.00 H new ATOM 0 HD13 LEU A 13 1.323 -3.319 -2.049 1.00 25.00 H new ATOM 0 HD21 LEU A 13 3.887 -3.829 -0.589 1.00 25.00 H new ATOM 0 HD22 LEU A 13 3.271 -4.938 -1.838 1.00 25.00 H new ATOM 0 HD23 LEU A 13 4.927 -4.298 -1.955 1.00 25.00 H new ATOM 186 N VAL A 14 4.371 -0.733 -5.520 1.00 25.00 N ATOM 187 CA VAL A 14 5.035 0.567 -5.550 1.00 25.00 C ATOM 188 C VAL A 14 4.109 1.567 -6.225 1.00 25.00 C ATOM 189 O VAL A 14 3.977 2.697 -5.777 1.00 25.00 O ATOM 190 CB VAL A 14 6.388 0.500 -6.318 1.00 25.00 C ATOM 191 CG1 VAL A 14 7.086 1.860 -6.308 1.00 25.00 C ATOM 192 CG2 VAL A 14 7.310 -0.567 -5.694 1.00 25.00 C ATOM 0 H VAL A 14 4.846 -1.460 -6.055 1.00 25.00 H new ATOM 0 HA VAL A 14 5.252 0.875 -4.527 1.00 25.00 H new ATOM 0 HB VAL A 14 6.176 0.225 -7.351 1.00 25.00 H new ATOM 0 HG11 VAL A 14 8.029 1.789 -6.850 1.00 25.00 H new ATOM 0 HG12 VAL A 14 6.446 2.601 -6.788 1.00 25.00 H new ATOM 0 HG13 VAL A 14 7.281 2.161 -5.279 1.00 25.00 H new ATOM 0 HG21 VAL A 14 8.251 -0.601 -6.243 1.00 25.00 H new ATOM 0 HG22 VAL A 14 7.506 -0.314 -4.652 1.00 25.00 H new ATOM 0 HG23 VAL A 14 6.825 -1.542 -5.745 1.00 25.00 H new ATOM 202 N ASP A 15 3.429 1.129 -7.273 1.00 25.00 N ATOM 203 CA ASP A 15 2.480 1.983 -7.977 1.00 25.00 C ATOM 204 C ASP A 15 1.345 2.397 -7.043 1.00 25.00 C ATOM 205 O ASP A 15 1.009 3.572 -6.942 1.00 25.00 O ATOM 206 CB ASP A 15 1.919 1.257 -9.198 1.00 25.00 C ATOM 207 CG ASP A 15 1.208 2.196 -10.149 1.00 25.00 C ATOM 208 OD1 ASP A 15 1.729 3.309 -10.376 1.00 25.00 O ATOM 209 OD2 ASP A 15 0.160 1.809 -10.703 1.00 25.00 O ATOM 0 H ASP A 15 3.515 0.188 -7.656 1.00 25.00 H new ATOM 0 HA ASP A 15 3.002 2.880 -8.312 1.00 25.00 H new ATOM 0 HB2 ASP A 15 2.731 0.756 -9.725 1.00 25.00 H new ATOM 0 HB3 ASP A 15 1.226 0.482 -8.870 1.00 25.00 H new ATOM 214 N THR A 16 0.814 1.444 -6.287 1.00 25.00 N ATOM 215 CA THR A 16 -0.231 1.740 -5.313 1.00 25.00 C ATOM 216 C THR A 16 0.252 2.711 -4.233 1.00 25.00 C ATOM 217 O THR A 16 -0.465 3.631 -3.847 1.00 25.00 O ATOM 218 CB THR A 16 -0.722 0.448 -4.633 1.00 25.00 C ATOM 219 OG1 THR A 16 -1.073 -0.506 -5.638 1.00 25.00 O ATOM 220 CG2 THR A 16 -1.944 0.708 -3.805 1.00 25.00 C ATOM 0 H THR A 16 1.088 0.462 -6.329 1.00 25.00 H new ATOM 0 HA THR A 16 -1.048 2.207 -5.863 1.00 25.00 H new ATOM 0 HB THR A 16 0.079 0.076 -3.994 1.00 25.00 H new ATOM 0 HG1 THR A 16 -0.258 -0.889 -6.024 1.00 25.00 H new ATOM 0 HG21 THR A 16 -2.270 -0.220 -3.336 1.00 25.00 H new ATOM 0 HG22 THR A 16 -1.711 1.442 -3.034 1.00 25.00 H new ATOM 0 HG23 THR A 16 -2.741 1.092 -4.442 1.00 25.00 H new ATOM 228 N LEU A 17 1.475 2.523 -3.757 1.00 25.00 N ATOM 229 CA LEU A 17 2.052 3.395 -2.730 1.00 25.00 C ATOM 230 C LEU A 17 2.208 4.826 -3.253 1.00 25.00 C ATOM 231 O LEU A 17 1.953 5.792 -2.532 1.00 25.00 O ATOM 232 CB LEU A 17 3.412 2.850 -2.295 1.00 25.00 C ATOM 233 CG LEU A 17 3.354 1.698 -1.278 1.00 25.00 C ATOM 234 CD1 LEU A 17 4.438 0.702 -1.526 1.00 25.00 C ATOM 235 CD2 LEU A 17 3.483 2.239 0.142 1.00 25.00 C ATOM 0 H LEU A 17 2.093 1.772 -4.064 1.00 25.00 H new ATOM 0 HA LEU A 17 1.377 3.414 -1.875 1.00 25.00 H new ATOM 0 HB2 LEU A 17 3.949 2.508 -3.179 1.00 25.00 H new ATOM 0 HB3 LEU A 17 3.993 3.666 -1.865 1.00 25.00 H new ATOM 0 HG LEU A 17 2.391 1.202 -1.396 1.00 25.00 H new ATOM 0 HD11 LEU A 17 4.370 -0.100 -0.791 1.00 25.00 H new ATOM 0 HD12 LEU A 17 4.328 0.286 -2.528 1.00 25.00 H new ATOM 0 HD13 LEU A 17 5.408 1.191 -1.441 1.00 25.00 H new ATOM 0 HD21 LEU A 17 3.440 1.413 0.851 1.00 25.00 H new ATOM 0 HD22 LEU A 17 4.435 2.759 0.248 1.00 25.00 H new ATOM 0 HD23 LEU A 17 2.666 2.932 0.343 1.00 25.00 H new ATOM 247 N GLN A 18 2.578 4.960 -4.517 1.00 25.00 N ATOM 248 CA GLN A 18 2.680 6.275 -5.144 1.00 25.00 C ATOM 249 C GLN A 18 1.288 6.888 -5.285 1.00 25.00 C ATOM 250 O GLN A 18 1.104 8.068 -5.037 1.00 25.00 O ATOM 251 CB GLN A 18 3.327 6.169 -6.530 1.00 25.00 C ATOM 252 CG GLN A 18 4.819 5.836 -6.497 1.00 25.00 C ATOM 253 CD GLN A 18 5.420 5.665 -7.879 1.00 25.00 C ATOM 254 OE1 GLN A 18 4.754 4.930 -8.730 1.00 25.00 O flip ATOM 255 NE2 GLN A 18 6.492 6.178 -8.161 1.00 25.00 N flip ATOM 0 H GLN A 18 2.813 4.179 -5.130 1.00 25.00 H new ATOM 0 HA GLN A 18 3.303 6.908 -4.512 1.00 25.00 H new ATOM 0 HB2 GLN A 18 2.807 5.403 -7.105 1.00 25.00 H new ATOM 0 HB3 GLN A 18 3.188 7.112 -7.058 1.00 25.00 H new ATOM 0 HG2 GLN A 18 5.351 6.629 -5.971 1.00 25.00 H new ATOM 0 HG3 GLN A 18 4.968 4.919 -5.926 1.00 25.00 H new ATOM 0 HE21 GLN A 18 6.983 6.746 -7.470 1.00 25.00 H new ATOM 0 HE22 GLN A 18 6.896 6.039 -9.087 1.00 25.00 H new ATOM 264 N PHE A 19 0.309 6.084 -5.668 1.00 25.00 N ATOM 265 CA PHE A 19 -1.054 6.573 -5.862 1.00 25.00 C ATOM 266 C PHE A 19 -1.719 7.049 -4.565 1.00 25.00 C ATOM 267 O PHE A 19 -2.339 8.108 -4.533 1.00 25.00 O ATOM 268 CB PHE A 19 -1.907 5.462 -6.488 1.00 25.00 C ATOM 269 CG PHE A 19 -3.327 5.872 -6.763 1.00 25.00 C ATOM 270 CD1 PHE A 19 -3.654 6.574 -7.938 1.00 25.00 C ATOM 271 CD2 PHE A 19 -4.350 5.559 -5.844 1.00 25.00 C ATOM 272 CE1 PHE A 19 -4.991 6.972 -8.196 1.00 25.00 C ATOM 273 CE2 PHE A 19 -5.690 5.951 -6.090 1.00 25.00 C ATOM 274 CZ PHE A 19 -6.008 6.665 -7.266 1.00 25.00 C ATOM 0 H PHE A 19 0.429 5.088 -5.852 1.00 25.00 H new ATOM 0 HA PHE A 19 -0.988 7.438 -6.522 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -1.443 5.142 -7.421 1.00 25.00 H new ATOM 0 HB3 PHE A 19 -1.910 4.599 -5.822 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -2.879 6.812 -8.651 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -4.110 5.015 -4.943 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -5.230 7.509 -9.102 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -6.465 5.704 -5.380 1.00 25.00 H new ATOM 0 HZ PHE A 19 -7.025 6.975 -7.453 1.00 25.00 H new ATOM 284 N VAL A 20 -1.626 6.254 -3.508 1.00 25.00 N ATOM 285 CA VAL A 20 -2.328 6.559 -2.257 1.00 25.00 C ATOM 286 C VAL A 20 -1.742 7.776 -1.517 1.00 25.00 C ATOM 287 O VAL A 20 -2.463 8.479 -0.803 1.00 25.00 O ATOM 288 CB VAL A 20 -2.368 5.286 -1.327 1.00 25.00 C ATOM 289 CG1 VAL A 20 -0.993 4.931 -0.786 1.00 25.00 C ATOM 290 CG2 VAL A 20 -3.348 5.464 -0.165 1.00 25.00 C ATOM 0 H VAL A 20 -1.075 5.396 -3.486 1.00 25.00 H new ATOM 0 HA VAL A 20 -3.349 6.834 -2.523 1.00 25.00 H new ATOM 0 HB VAL A 20 -2.714 4.464 -1.953 1.00 25.00 H new ATOM 0 HG11 VAL A 20 -1.069 4.048 -0.151 1.00 25.00 H new ATOM 0 HG12 VAL A 20 -0.318 4.724 -1.616 1.00 25.00 H new ATOM 0 HG13 VAL A 20 -0.605 5.766 -0.202 1.00 25.00 H new ATOM 0 HG21 VAL A 20 -3.347 4.566 0.453 1.00 25.00 H new ATOM 0 HG22 VAL A 20 -3.045 6.320 0.438 1.00 25.00 H new ATOM 0 HG23 VAL A 20 -4.351 5.633 -0.557 1.00 25.00 H new ATOM 300 N CYS A 21 -0.447 8.039 -1.680 1.00 25.00 N ATOM 301 CA CYS A 21 0.195 9.121 -0.925 1.00 25.00 C ATOM 302 C CYS A 21 0.847 10.245 -1.725 1.00 25.00 C ATOM 303 O CYS A 21 1.051 11.336 -1.180 1.00 25.00 O ATOM 304 CB CYS A 21 1.201 8.521 0.051 1.00 25.00 C ATOM 305 SG CYS A 21 0.347 7.768 1.469 1.00 25.00 S ATOM 0 H CYS A 21 0.171 7.532 -2.314 1.00 25.00 H new ATOM 0 HA CYS A 21 -0.630 9.622 -0.419 1.00 25.00 H new ATOM 0 HB2 CYS A 21 1.805 7.770 -0.457 1.00 25.00 H new ATOM 0 HB3 CYS A 21 1.883 9.296 0.400 1.00 25.00 H new ATOM 310 N GLY A 22 1.141 10.019 -2.995 1.00 25.00 N ATOM 311 CA GLY A 22 1.733 11.038 -3.823 1.00 25.00 C ATOM 312 C GLY A 22 3.040 11.549 -3.276 1.00 25.00 C ATOM 313 O GLY A 22 3.921 10.814 -2.817 1.00 25.00 O ATOM 0 H GLY A 22 0.975 9.132 -3.470 1.00 25.00 H new ATOM 0 HA2 GLY A 22 1.895 10.638 -4.824 1.00 25.00 H new ATOM 0 HA3 GLY A 22 1.036 11.870 -3.922 1.00 25.00 H new ATOM 317 N ASP A 23 3.105 12.861 -3.306 1.00 25.00 N ATOM 318 CA ASP A 23 4.275 13.643 -2.894 1.00 25.00 C ATOM 319 C ASP A 23 4.687 13.436 -1.438 1.00 25.00 C ATOM 320 O ASP A 23 5.808 13.770 -1.056 1.00 25.00 O ATOM 321 CB ASP A 23 3.980 15.131 -3.106 1.00 25.00 C ATOM 322 CG ASP A 23 3.618 15.449 -4.541 1.00 25.00 C ATOM 323 OD1 ASP A 23 2.434 15.259 -4.900 1.00 25.00 O ATOM 324 OD2 ASP A 23 4.507 15.864 -5.310 1.00 25.00 O ATOM 0 H ASP A 23 2.329 13.441 -3.625 1.00 25.00 H new ATOM 0 HA ASP A 23 5.105 13.295 -3.509 1.00 25.00 H new ATOM 0 HB2 ASP A 23 3.162 15.433 -2.452 1.00 25.00 H new ATOM 0 HB3 ASP A 23 4.852 15.716 -2.816 1.00 25.00 H new ATOM 329 N ARG A 24 3.803 12.872 -0.622 1.00 25.00 N ATOM 330 CA ARG A 24 4.124 12.606 0.776 1.00 25.00 C ATOM 331 C ARG A 24 5.251 11.599 0.932 1.00 25.00 C ATOM 332 O ARG A 24 5.915 11.585 1.963 1.00 25.00 O ATOM 333 CB ARG A 24 2.886 12.083 1.492 1.00 25.00 C ATOM 334 CG ARG A 24 1.798 13.126 1.601 1.00 25.00 C ATOM 335 CD ARG A 24 0.679 12.632 2.466 1.00 25.00 C ATOM 336 NE ARG A 24 -0.227 11.691 1.783 1.00 25.00 N ATOM 337 CZ ARG A 24 -1.186 10.996 2.390 1.00 25.00 C ATOM 338 NH1 ARG A 24 -1.368 11.057 3.679 1.00 25.00 N ATOM 339 NH2 ARG A 24 -1.987 10.231 1.709 1.00 25.00 N ATOM 0 H ARG A 24 2.863 12.591 -0.902 1.00 25.00 H new ATOM 0 HA ARG A 24 4.456 13.546 1.216 1.00 25.00 H new ATOM 0 HB2 ARG A 24 2.501 11.215 0.958 1.00 25.00 H new ATOM 0 HB3 ARG A 24 3.163 11.745 2.491 1.00 25.00 H new ATOM 0 HG2 ARG A 24 2.209 14.045 2.018 1.00 25.00 H new ATOM 0 HG3 ARG A 24 1.418 13.368 0.608 1.00 25.00 H new ATOM 0 HD2 ARG A 24 1.100 12.144 3.345 1.00 25.00 H new ATOM 0 HD3 ARG A 24 0.102 13.486 2.821 1.00 25.00 H new ATOM 0 HE ARG A 24 -0.111 11.564 0.778 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -0.767 11.649 4.251 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -2.112 10.512 4.115 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -1.885 10.158 0.697 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -2.718 9.704 2.187 1.00 25.00 H new ATOM 353 N GLY A 25 5.457 10.759 -0.073 1.00 25.00 N ATOM 354 CA GLY A 25 6.505 9.750 -0.015 1.00 25.00 C ATOM 355 C GLY A 25 6.105 8.572 0.848 1.00 25.00 C ATOM 356 O GLY A 25 5.094 8.624 1.545 1.00 25.00 O ATOM 0 H GLY A 25 4.914 10.756 -0.936 1.00 25.00 H new ATOM 0 HA2 GLY A 25 6.731 9.402 -1.023 1.00 25.00 H new ATOM 0 HA3 GLY A 25 7.418 10.196 0.380 1.00 25.00 H new ATOM 360 N PHE A 26 6.879 7.495 0.805 1.00 25.00 N ATOM 361 CA PHE A 26 6.556 6.284 1.561 1.00 25.00 C ATOM 362 C PHE A 26 7.778 5.419 1.821 1.00 25.00 C ATOM 363 O PHE A 26 8.833 5.614 1.210 1.00 25.00 O ATOM 364 CB PHE A 26 5.514 5.461 0.791 1.00 25.00 C ATOM 365 CG PHE A 26 5.936 5.108 -0.609 1.00 25.00 C ATOM 366 CD1 PHE A 26 6.714 3.960 -0.864 1.00 25.00 C ATOM 367 CD2 PHE A 26 5.555 5.927 -1.689 1.00 25.00 C ATOM 368 CE1 PHE A 26 7.109 3.637 -2.182 1.00 25.00 C ATOM 369 CE2 PHE A 26 5.951 5.617 -3.002 1.00 25.00 C ATOM 370 CZ PHE A 26 6.727 4.471 -3.250 1.00 25.00 C ATOM 0 H PHE A 26 7.736 7.432 0.255 1.00 25.00 H new ATOM 0 HA PHE A 26 6.162 6.601 2.526 1.00 25.00 H new ATOM 0 HB2 PHE A 26 5.310 4.543 1.342 1.00 25.00 H new ATOM 0 HB3 PHE A 26 4.580 6.022 0.749 1.00 25.00 H new ATOM 0 HD1 PHE A 26 7.011 3.322 -0.045 1.00 25.00 H new ATOM 0 HD2 PHE A 26 4.951 6.804 -1.507 1.00 25.00 H new ATOM 0 HE1 PHE A 26 7.702 2.754 -2.369 1.00 25.00 H new ATOM 0 HE2 PHE A 26 5.659 6.259 -3.820 1.00 25.00 H new ATOM 0 HZ PHE A 26 7.030 4.231 -4.259 1.00 25.00 H new ATOM 380 N TYR A 27 7.615 4.445 2.703 1.00 25.00 N ATOM 381 CA TYR A 27 8.653 3.470 3.001 1.00 25.00 C ATOM 382 C TYR A 27 8.044 2.077 2.904 1.00 25.00 C ATOM 383 O TYR A 27 6.847 1.909 3.045 1.00 25.00 O ATOM 384 CB TYR A 27 9.198 3.678 4.416 1.00 25.00 C ATOM 385 CG TYR A 27 9.923 4.991 4.601 1.00 25.00 C ATOM 386 CD1 TYR A 27 9.281 6.094 5.197 1.00 25.00 C ATOM 387 CD2 TYR A 27 11.265 5.136 4.192 1.00 25.00 C ATOM 388 CE1 TYR A 27 9.974 7.319 5.393 1.00 25.00 C ATOM 389 CE2 TYR A 27 11.953 6.362 4.377 1.00 25.00 C ATOM 390 CZ TYR A 27 11.302 7.439 4.980 1.00 25.00 C ATOM 391 OH TYR A 27 11.972 8.620 5.167 1.00 25.00 O ATOM 0 H TYR A 27 6.755 4.308 3.235 1.00 25.00 H new ATOM 0 HA TYR A 27 9.472 3.587 2.291 1.00 25.00 H new ATOM 0 HB2 TYR A 27 8.372 3.626 5.125 1.00 25.00 H new ATOM 0 HB3 TYR A 27 9.877 2.861 4.658 1.00 25.00 H new ATOM 0 HD1 TYR A 27 8.251 6.008 5.509 1.00 25.00 H new ATOM 0 HD2 TYR A 27 11.775 4.303 3.732 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.475 8.155 5.860 1.00 25.00 H new ATOM 0 HE2 TYR A 27 12.978 6.462 4.052 1.00 25.00 H new ATOM 0 HH TYR A 27 11.620 9.073 5.961 1.00 25.00 H new ATOM 401 N PHE A 28 8.884 1.074 2.700 1.00 25.00 N ATOM 402 CA PHE A 28 8.421 -0.314 2.702 1.00 25.00 C ATOM 403 C PHE A 28 8.483 -0.864 4.127 1.00 25.00 C ATOM 404 O PHE A 28 7.898 -1.901 4.437 1.00 25.00 O ATOM 405 CB PHE A 28 9.292 -1.166 1.768 1.00 25.00 C ATOM 406 CG PHE A 28 8.673 -1.407 0.411 1.00 25.00 C ATOM 407 CD1 PHE A 28 8.505 -2.723 -0.067 1.00 25.00 C ATOM 408 CD2 PHE A 28 8.239 -0.332 -0.393 1.00 25.00 C ATOM 409 CE1 PHE A 28 7.907 -2.968 -1.330 1.00 25.00 C ATOM 410 CE2 PHE A 28 7.649 -0.569 -1.660 1.00 25.00 C ATOM 411 CZ PHE A 28 7.479 -1.889 -2.123 1.00 25.00 C ATOM 0 H PHE A 28 9.883 1.189 2.532 1.00 25.00 H new ATOM 0 HA PHE A 28 7.392 -0.352 2.343 1.00 25.00 H new ATOM 0 HB2 PHE A 28 10.256 -0.674 1.636 1.00 25.00 H new ATOM 0 HB3 PHE A 28 9.487 -2.127 2.244 1.00 25.00 H new ATOM 0 HD1 PHE A 28 8.836 -3.555 0.536 1.00 25.00 H new ATOM 0 HD2 PHE A 28 8.357 0.682 -0.040 1.00 25.00 H new ATOM 0 HE1 PHE A 28 7.781 -3.981 -1.682 1.00 25.00 H new ATOM 0 HE2 PHE A 28 7.330 0.263 -2.271 1.00 25.00 H new ATOM 0 HZ PHE A 28 7.021 -2.071 -3.084 1.00 25.00 H new ATOM 421 N SER A 29 9.209 -0.162 4.988 1.00 25.00 N ATOM 422 CA SER A 29 9.340 -0.536 6.392 1.00 25.00 C ATOM 423 C SER A 29 8.209 0.112 7.170 1.00 25.00 C ATOM 424 O SER A 29 7.777 1.196 6.825 1.00 25.00 O ATOM 425 CB SER A 29 10.678 -0.036 6.936 1.00 25.00 C ATOM 426 OG SER A 29 10.845 1.351 6.680 1.00 25.00 O ATOM 0 H SER A 29 9.723 0.682 4.734 1.00 25.00 H new ATOM 0 HA SER A 29 9.296 -1.620 6.493 1.00 25.00 H new ATOM 0 HB2 SER A 29 10.730 -0.220 8.009 1.00 25.00 H new ATOM 0 HB3 SER A 29 11.493 -0.595 6.477 1.00 25.00 H new ATOM 0 HG SER A 29 10.415 1.869 7.392 1.00 25.00 H new ATOM 432 N ARG A 30 7.759 -0.545 8.233 1.00 25.00 N ATOM 433 CA ARG A 30 6.660 -0.011 9.058 1.00 25.00 C ATOM 434 C ARG A 30 6.901 1.391 9.637 1.00 25.00 C ATOM 435 O ARG A 30 6.093 2.284 9.446 1.00 25.00 O ATOM 436 CB ARG A 30 6.240 -1.017 10.147 1.00 25.00 C ATOM 437 CG ARG A 30 6.026 -2.414 9.606 1.00 25.00 C ATOM 438 CD ARG A 30 5.474 -3.359 10.647 1.00 25.00 C ATOM 439 NE ARG A 30 5.165 -4.671 10.045 1.00 25.00 N ATOM 440 CZ ARG A 30 3.952 -5.099 9.715 1.00 25.00 C ATOM 441 NH1 ARG A 30 2.870 -4.397 9.917 1.00 25.00 N ATOM 442 NH2 ARG A 30 3.820 -6.263 9.168 1.00 25.00 N ATOM 0 H ARG A 30 8.129 -1.442 8.549 1.00 25.00 H new ATOM 0 HA ARG A 30 5.829 0.124 8.366 1.00 25.00 H new ATOM 0 HB2 ARG A 30 7.005 -1.046 10.922 1.00 25.00 H new ATOM 0 HB3 ARG A 30 5.321 -0.671 10.619 1.00 25.00 H new ATOM 0 HG2 ARG A 30 5.341 -2.371 8.759 1.00 25.00 H new ATOM 0 HG3 ARG A 30 6.972 -2.804 9.231 1.00 25.00 H new ATOM 0 HD2 ARG A 30 6.197 -3.484 11.453 1.00 25.00 H new ATOM 0 HD3 ARG A 30 4.573 -2.935 11.090 1.00 25.00 H new ATOM 0 HE ARG A 30 5.948 -5.301 9.868 1.00 25.00 H new ATOM 0 HH11 ARG A 30 2.934 -3.474 10.347 1.00 25.00 H new ATOM 0 HH12 ARG A 30 1.961 -4.771 9.645 1.00 25.00 H new ATOM 0 HH21 ARG A 30 4.642 -6.841 8.995 1.00 25.00 H new ATOM 0 HH22 ARG A 30 2.894 -6.603 8.910 1.00 25.00 H new ATOM 456 N PRO A 31 8.021 1.605 10.337 1.00 25.00 N ATOM 457 CA PRO A 31 8.292 2.966 10.799 1.00 25.00 C ATOM 458 C PRO A 31 8.776 3.873 9.670 1.00 25.00 C ATOM 459 O PRO A 31 9.567 3.458 8.817 1.00 25.00 O ATOM 460 CB PRO A 31 9.399 2.755 11.832 1.00 25.00 C ATOM 461 CG PRO A 31 10.141 1.547 11.321 1.00 25.00 C ATOM 462 CD PRO A 31 9.080 0.668 10.733 1.00 25.00 C ATOM 0 HA PRO A 31 7.403 3.459 11.193 1.00 25.00 H new ATOM 0 HB2 PRO A 31 10.052 3.625 11.903 1.00 25.00 H new ATOM 0 HB3 PRO A 31 8.990 2.582 12.827 1.00 25.00 H new ATOM 0 HG2 PRO A 31 10.883 1.826 10.573 1.00 25.00 H new ATOM 0 HG3 PRO A 31 10.674 1.040 12.126 1.00 25.00 H new ATOM 0 HD2 PRO A 31 9.456 0.106 9.878 1.00 25.00 H new ATOM 0 HD3 PRO A 31 8.718 -0.060 11.459 1.00 25.00 H new ATOM 470 N ALA A 32 8.370 5.135 9.724 1.00 25.00 N ATOM 471 CA ALA A 32 8.851 6.148 8.782 1.00 25.00 C ATOM 472 C ALA A 32 10.277 6.570 9.166 1.00 25.00 C ATOM 473 O ALA A 32 10.962 7.286 8.437 1.00 25.00 O ATOM 474 CB ALA A 32 7.914 7.359 8.806 1.00 25.00 C ATOM 0 H ALA A 32 7.705 5.487 10.413 1.00 25.00 H new ATOM 0 HA ALA A 32 8.864 5.733 7.774 1.00 25.00 H new ATOM 0 HB1 ALA A 32 8.274 8.111 8.104 1.00 25.00 H new ATOM 0 HB2 ALA A 32 6.909 7.047 8.520 1.00 25.00 H new ATOM 0 HB3 ALA A 32 7.891 7.781 9.811 1.00 25.00 H new ATOM 480 N SER A 33 10.700 6.137 10.343 1.00 25.00 N ATOM 481 CA SER A 33 12.020 6.450 10.871 1.00 25.00 C ATOM 482 C SER A 33 13.118 5.801 10.027 1.00 25.00 C ATOM 483 O SER A 33 13.391 4.605 10.146 1.00 25.00 O ATOM 484 CB SER A 33 12.111 5.957 12.311 1.00 25.00 C ATOM 485 OG SER A 33 10.987 6.408 13.048 1.00 25.00 O ATOM 0 H SER A 33 10.135 5.556 10.962 1.00 25.00 H new ATOM 0 HA SER A 33 12.165 7.530 10.838 1.00 25.00 H new ATOM 0 HB2 SER A 33 12.156 4.868 12.329 1.00 25.00 H new ATOM 0 HB3 SER A 33 13.029 6.322 12.772 1.00 25.00 H new ATOM 0 HG SER A 33 11.051 6.086 13.972 1.00 25.00 H new ATOM 491 N ARG A 34 13.745 6.606 9.175 1.00 25.00 N ATOM 492 CA ARG A 34 14.778 6.157 8.225 1.00 25.00 C ATOM 493 C ARG A 34 16.140 5.857 8.886 1.00 25.00 C ATOM 494 O ARG A 34 17.183 6.309 8.429 1.00 25.00 O ATOM 495 CB ARG A 34 14.919 7.245 7.148 1.00 25.00 C ATOM 496 CG ARG A 34 15.478 6.774 5.808 1.00 25.00 C ATOM 497 CD ARG A 34 15.502 7.943 4.823 1.00 25.00 C ATOM 498 NE ARG A 34 15.885 7.530 3.461 1.00 25.00 N ATOM 499 CZ ARG A 34 17.129 7.456 2.998 1.00 25.00 C ATOM 500 NH1 ARG A 34 18.175 7.738 3.739 1.00 25.00 N ATOM 501 NH2 ARG A 34 17.325 7.093 1.761 1.00 25.00 N ATOM 0 H ARG A 34 13.552 7.606 9.118 1.00 25.00 H new ATOM 0 HA ARG A 34 14.461 5.208 7.793 1.00 25.00 H new ATOM 0 HB2 ARG A 34 13.939 7.691 6.977 1.00 25.00 H new ATOM 0 HB3 ARG A 34 15.565 8.033 7.535 1.00 25.00 H new ATOM 0 HG2 ARG A 34 16.484 6.377 5.942 1.00 25.00 H new ATOM 0 HG3 ARG A 34 14.866 5.964 5.412 1.00 25.00 H new ATOM 0 HD2 ARG A 34 14.517 8.409 4.794 1.00 25.00 H new ATOM 0 HD3 ARG A 34 16.202 8.699 5.179 1.00 25.00 H new ATOM 0 HE ARG A 34 15.132 7.280 2.820 1.00 25.00 H new ATOM 0 HH11 ARG A 34 18.050 8.027 4.709 1.00 25.00 H new ATOM 0 HH12 ARG A 34 19.113 7.668 3.345 1.00 25.00 H new ATOM 0 HH21 ARG A 34 16.529 6.870 1.163 1.00 25.00 H new ATOM 0 HH22 ARG A 34 18.274 7.032 1.392 1.00 25.00 H new ATOM 515 N VAL A 35 16.111 5.094 9.969 1.00 25.00 N ATOM 516 CA VAL A 35 17.313 4.746 10.743 1.00 25.00 C ATOM 517 C VAL A 35 17.431 3.236 10.815 1.00 25.00 C ATOM 518 O VAL A 35 18.032 2.659 11.721 1.00 25.00 O ATOM 519 CB VAL A 35 17.257 5.364 12.164 1.00 25.00 C ATOM 520 CG1 VAL A 35 17.264 6.873 12.045 1.00 25.00 C ATOM 521 CG2 VAL A 35 15.991 4.907 12.931 1.00 25.00 C ATOM 0 H VAL A 35 15.252 4.692 10.345 1.00 25.00 H new ATOM 0 HA VAL A 35 18.193 5.155 10.246 1.00 25.00 H new ATOM 0 HB VAL A 35 18.128 5.024 12.725 1.00 25.00 H new ATOM 0 HG11 VAL A 35 17.225 7.317 13.040 1.00 25.00 H new ATOM 0 HG12 VAL A 35 18.175 7.194 11.540 1.00 25.00 H new ATOM 0 HG13 VAL A 35 16.397 7.197 11.469 1.00 25.00 H new ATOM 0 HG21 VAL A 35 15.984 5.359 13.923 1.00 25.00 H new ATOM 0 HG22 VAL A 35 15.102 5.219 12.384 1.00 25.00 H new ATOM 0 HG23 VAL A 35 15.996 3.821 13.027 1.00 25.00 H new ATOM 531 N SER A 36 16.820 2.614 9.826 1.00 25.00 N ATOM 532 CA SER A 36 16.729 1.155 9.696 1.00 25.00 C ATOM 533 C SER A 36 18.042 0.435 9.342 1.00 25.00 C ATOM 534 O SER A 36 18.063 -0.443 8.486 1.00 25.00 O ATOM 535 CB SER A 36 15.686 0.839 8.625 1.00 25.00 C ATOM 536 OG SER A 36 14.532 1.634 8.837 1.00 25.00 O ATOM 0 H SER A 36 16.358 3.113 9.066 1.00 25.00 H new ATOM 0 HA SER A 36 16.456 0.781 10.683 1.00 25.00 H new ATOM 0 HB2 SER A 36 16.097 1.033 7.634 1.00 25.00 H new ATOM 0 HB3 SER A 36 15.423 -0.218 8.660 1.00 25.00 H new ATOM 0 HG SER A 36 13.864 1.432 8.149 1.00 25.00 H new ATOM 542 N ARG A 37 19.123 0.766 10.039 1.00 25.00 N ATOM 543 CA ARG A 37 20.438 0.134 9.833 1.00 25.00 C ATOM 544 C ARG A 37 20.529 -1.249 10.504 1.00 25.00 C ATOM 545 O ARG A 37 21.576 -1.651 10.990 1.00 25.00 O ATOM 546 CB ARG A 37 21.556 1.060 10.351 1.00 25.00 C ATOM 547 CG ARG A 37 21.480 1.413 11.850 1.00 25.00 C ATOM 548 CD ARG A 37 22.750 2.136 12.293 1.00 25.00 C ATOM 549 NE ARG A 37 22.759 2.400 13.744 1.00 25.00 N ATOM 550 CZ ARG A 37 23.765 2.952 14.417 1.00 25.00 C ATOM 551 NH1 ARG A 37 24.878 3.325 13.833 1.00 25.00 N ATOM 552 NH2 ARG A 37 23.651 3.120 15.704 1.00 25.00 N ATOM 0 H ARG A 37 19.121 1.481 10.767 1.00 25.00 H new ATOM 0 HA ARG A 37 20.565 -0.021 8.762 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.518 0.586 10.155 1.00 25.00 H new ATOM 0 HB3 ARG A 37 21.534 1.985 9.775 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.611 2.044 12.038 1.00 25.00 H new ATOM 0 HG3 ARG A 37 21.348 0.505 12.438 1.00 25.00 H new ATOM 0 HD2 ARG A 37 23.620 1.535 12.029 1.00 25.00 H new ATOM 0 HD3 ARG A 37 22.838 3.079 11.753 1.00 25.00 H new ATOM 0 HE ARG A 37 21.928 2.138 14.274 1.00 25.00 H new ATOM 0 HH11 ARG A 37 24.995 3.195 12.828 1.00 25.00 H new ATOM 0 HH12 ARG A 37 25.627 3.745 14.384 1.00 25.00 H new ATOM 0 HH21 ARG A 37 22.798 2.830 16.183 1.00 25.00 H new ATOM 0 HH22 ARG A 37 24.414 3.542 16.233 1.00 25.00 H new ATOM 566 N ARG A 38 19.416 -1.970 10.507 1.00 25.00 N ATOM 567 CA ARG A 38 19.322 -3.299 11.122 1.00 25.00 C ATOM 568 C ARG A 38 19.134 -4.364 10.044 1.00 25.00 C ATOM 569 O ARG A 38 18.543 -5.409 10.304 1.00 25.00 O ATOM 570 CB ARG A 38 18.139 -3.342 12.106 1.00 25.00 C ATOM 571 CG ARG A 38 16.756 -3.111 11.455 1.00 25.00 C ATOM 572 CD ARG A 38 15.655 -3.792 12.259 1.00 25.00 C ATOM 573 NE ARG A 38 14.381 -3.821 11.517 1.00 25.00 N ATOM 574 CZ ARG A 38 13.261 -4.403 11.940 1.00 25.00 C ATOM 575 NH1 ARG A 38 13.184 -5.013 13.097 1.00 25.00 N ATOM 576 NH2 ARG A 38 12.202 -4.373 11.182 1.00 25.00 N ATOM 0 H ARG A 38 18.545 -1.653 10.082 1.00 25.00 H new ATOM 0 HA ARG A 38 20.246 -3.500 11.664 1.00 25.00 H new ATOM 0 HB2 ARG A 38 18.134 -4.310 12.606 1.00 25.00 H new ATOM 0 HB3 ARG A 38 18.295 -2.586 12.876 1.00 25.00 H new ATOM 0 HG2 ARG A 38 16.555 -2.042 11.389 1.00 25.00 H new ATOM 0 HG3 ARG A 38 16.760 -3.498 10.436 1.00 25.00 H new ATOM 0 HD2 ARG A 38 15.958 -4.810 12.503 1.00 25.00 H new ATOM 0 HD3 ARG A 38 15.515 -3.266 13.204 1.00 25.00 H new ATOM 0 HE ARG A 38 14.356 -3.359 10.608 1.00 25.00 H new ATOM 0 HH11 ARG A 38 14.000 -5.053 13.708 1.00 25.00 H new ATOM 0 HH12 ARG A 38 12.308 -5.448 13.387 1.00 25.00 H new ATOM 0 HH21 ARG A 38 12.237 -3.907 10.275 1.00 25.00 H new ATOM 0 HH22 ARG A 38 11.338 -4.815 11.495 1.00 25.00 H new ATOM 590 N SER A 39 19.591 -4.030 8.836 1.00 25.00 N ATOM 591 CA SER A 39 19.386 -4.818 7.602 1.00 25.00 C ATOM 592 C SER A 39 17.924 -4.720 7.149 1.00 25.00 C ATOM 593 O SER A 39 17.031 -4.387 7.946 1.00 25.00 O ATOM 594 CB SER A 39 19.845 -6.283 7.765 1.00 25.00 C ATOM 595 OG SER A 39 18.816 -7.094 8.298 1.00 25.00 O ATOM 0 H SER A 39 20.131 -3.180 8.676 1.00 25.00 H new ATOM 0 HA SER A 39 20.013 -4.391 6.820 1.00 25.00 H new ATOM 0 HB2 SER A 39 20.156 -6.677 6.798 1.00 25.00 H new ATOM 0 HB3 SER A 39 20.716 -6.322 8.420 1.00 25.00 H new ATOM 0 HG SER A 39 18.634 -6.826 9.223 1.00 25.00 H new ATOM 601 N PRO A 40 17.667 -4.916 5.843 1.00 25.00 N ATOM 602 CA PRO A 40 16.278 -4.814 5.384 1.00 25.00 C ATOM 603 C PRO A 40 15.403 -5.899 6.002 1.00 25.00 C ATOM 604 O PRO A 40 15.880 -6.975 6.347 1.00 25.00 O ATOM 605 CB PRO A 40 16.407 -4.988 3.869 1.00 25.00 C ATOM 606 CG PRO A 40 17.659 -5.783 3.707 1.00 25.00 C ATOM 607 CD PRO A 40 18.575 -5.234 4.725 1.00 25.00 C ATOM 0 HA PRO A 40 15.799 -3.877 5.668 1.00 25.00 H new ATOM 0 HB2 PRO A 40 15.545 -5.509 3.451 1.00 25.00 H new ATOM 0 HB3 PRO A 40 16.475 -4.026 3.360 1.00 25.00 H new ATOM 0 HG2 PRO A 40 17.478 -6.846 3.867 1.00 25.00 H new ATOM 0 HG3 PRO A 40 18.070 -5.677 2.703 1.00 25.00 H new ATOM 0 HD2 PRO A 40 19.337 -5.957 5.016 1.00 25.00 H new ATOM 0 HD3 PRO A 40 19.098 -4.348 4.364 1.00 25.00 H new ATOM 615 N GLN A 41 14.126 -5.595 6.167 1.00 25.00 N ATOM 616 CA GLN A 41 13.197 -6.515 6.804 1.00 25.00 C ATOM 617 C GLN A 41 11.805 -6.315 6.229 1.00 25.00 C ATOM 618 O GLN A 41 11.580 -5.389 5.451 1.00 25.00 O ATOM 619 CB GLN A 41 13.181 -6.276 8.322 1.00 25.00 C ATOM 620 CG GLN A 41 13.936 -7.342 9.114 1.00 25.00 C ATOM 621 CD GLN A 41 13.397 -8.736 8.856 1.00 25.00 C ATOM 622 OE1 GLN A 41 12.200 -8.927 8.673 1.00 25.00 O ATOM 623 NE2 GLN A 41 14.270 -9.704 8.813 1.00 25.00 N ATOM 0 H GLN A 41 13.707 -4.714 5.867 1.00 25.00 H new ATOM 0 HA GLN A 41 13.518 -7.539 6.613 1.00 25.00 H new ATOM 0 HB2 GLN A 41 13.618 -5.300 8.533 1.00 25.00 H new ATOM 0 HB3 GLN A 41 12.147 -6.243 8.666 1.00 25.00 H new ATOM 0 HG2 GLN A 41 14.993 -7.308 8.850 1.00 25.00 H new ATOM 0 HG3 GLN A 41 13.866 -7.119 10.179 1.00 25.00 H new ATOM 0 HE21 GLN A 41 15.258 -9.507 8.970 1.00 25.00 H new ATOM 0 HE22 GLN A 41 13.964 -10.658 8.622 1.00 25.00 H new ATOM 632 N ARG A 42 10.889 -7.193 6.613 1.00 25.00 N ATOM 633 CA ARG A 42 9.505 -7.149 6.141 1.00 25.00 C ATOM 634 C ARG A 42 8.756 -5.894 6.609 1.00 25.00 C ATOM 635 O ARG A 42 9.215 -5.161 7.490 1.00 25.00 O ATOM 636 CB ARG A 42 8.765 -8.386 6.640 1.00 25.00 C ATOM 637 CG ARG A 42 9.187 -9.698 5.981 1.00 25.00 C ATOM 638 CD ARG A 42 8.241 -10.773 6.459 1.00 25.00 C ATOM 639 NE ARG A 42 8.279 -12.026 5.695 1.00 25.00 N ATOM 640 CZ ARG A 42 7.329 -12.957 5.744 1.00 25.00 C ATOM 641 NH1 ARG A 42 6.265 -12.831 6.505 1.00 25.00 N ATOM 642 NH2 ARG A 42 7.449 -14.034 5.018 1.00 25.00 N ATOM 0 H ARG A 42 11.081 -7.957 7.261 1.00 25.00 H new ATOM 0 HA ARG A 42 9.536 -7.122 5.052 1.00 25.00 H new ATOM 0 HB2 ARG A 42 8.916 -8.472 7.716 1.00 25.00 H new ATOM 0 HB3 ARG A 42 7.697 -8.242 6.478 1.00 25.00 H new ATOM 0 HG2 ARG A 42 9.150 -9.610 4.895 1.00 25.00 H new ATOM 0 HG3 ARG A 42 10.215 -9.947 6.246 1.00 25.00 H new ATOM 0 HD2 ARG A 42 8.467 -10.995 7.502 1.00 25.00 H new ATOM 0 HD3 ARG A 42 7.225 -10.379 6.430 1.00 25.00 H new ATOM 0 HE ARG A 42 9.083 -12.193 5.090 1.00 25.00 H new ATOM 0 HH11 ARG A 42 6.147 -11.999 7.083 1.00 25.00 H new ATOM 0 HH12 ARG A 42 5.557 -13.565 6.517 1.00 25.00 H new ATOM 0 HH21 ARG A 42 8.266 -14.157 4.419 1.00 25.00 H new ATOM 0 HH22 ARG A 42 6.726 -14.753 5.049 1.00 25.00 H new ATOM 656 N GLY A 43 7.600 -5.663 6.003 1.00 25.00 N ATOM 657 CA GLY A 43 6.795 -4.490 6.296 1.00 25.00 C ATOM 658 C GLY A 43 5.517 -4.493 5.478 1.00 25.00 C ATOM 659 O GLY A 43 4.710 -5.394 5.629 1.00 25.00 O ATOM 0 H GLY A 43 7.197 -6.281 5.298 1.00 25.00 H new ATOM 0 HA2 GLY A 43 6.552 -4.467 7.358 1.00 25.00 H new ATOM 0 HA3 GLY A 43 7.368 -3.588 6.080 1.00 25.00 H new ATOM 663 N ILE A 44 5.380 -3.527 4.575 1.00 25.00 N ATOM 664 CA ILE A 44 4.171 -3.338 3.741 1.00 25.00 C ATOM 665 C ILE A 44 3.634 -4.621 3.097 1.00 25.00 C ATOM 666 O ILE A 44 2.428 -4.840 3.003 1.00 25.00 O ATOM 667 CB ILE A 44 4.481 -2.263 2.622 1.00 25.00 C ATOM 668 CG1 ILE A 44 3.263 -1.964 1.731 1.00 25.00 C ATOM 669 CG2 ILE A 44 5.636 -2.734 1.693 1.00 25.00 C ATOM 670 CD1 ILE A 44 2.172 -1.145 2.364 1.00 25.00 C ATOM 0 H ILE A 44 6.109 -2.838 4.390 1.00 25.00 H new ATOM 0 HA ILE A 44 3.383 -2.998 4.413 1.00 25.00 H new ATOM 0 HB ILE A 44 4.762 -1.358 3.161 1.00 25.00 H new ATOM 0 HG12 ILE A 44 3.609 -1.444 0.838 1.00 25.00 H new ATOM 0 HG13 ILE A 44 2.836 -2.912 1.403 1.00 25.00 H new ATOM 0 HG21 ILE A 44 5.826 -1.974 0.935 1.00 25.00 H new ATOM 0 HG22 ILE A 44 6.538 -2.889 2.284 1.00 25.00 H new ATOM 0 HG23 ILE A 44 5.355 -3.669 1.208 1.00 25.00 H new ATOM 0 HD11 ILE A 44 1.365 -0.996 1.646 1.00 25.00 H new ATOM 0 HD12 ILE A 44 1.787 -1.667 3.240 1.00 25.00 H new ATOM 0 HD13 ILE A 44 2.572 -0.177 2.666 1.00 25.00 H new ATOM 682 N VAL A 45 4.538 -5.482 2.669 1.00 25.00 N ATOM 683 CA VAL A 45 4.167 -6.688 1.957 1.00 25.00 C ATOM 684 C VAL A 45 3.381 -7.660 2.843 1.00 25.00 C ATOM 685 O VAL A 45 2.671 -8.508 2.347 1.00 25.00 O ATOM 686 CB VAL A 45 5.402 -7.397 1.351 1.00 25.00 C ATOM 687 CG1 VAL A 45 6.197 -6.438 0.468 1.00 25.00 C ATOM 688 CG2 VAL A 45 6.299 -7.992 2.444 1.00 25.00 C ATOM 0 H VAL A 45 5.542 -5.366 2.804 1.00 25.00 H new ATOM 0 HA VAL A 45 3.516 -6.375 1.141 1.00 25.00 H new ATOM 0 HB VAL A 45 5.040 -8.218 0.733 1.00 25.00 H new ATOM 0 HG11 VAL A 45 7.061 -6.957 0.052 1.00 25.00 H new ATOM 0 HG12 VAL A 45 5.563 -6.081 -0.344 1.00 25.00 H new ATOM 0 HG13 VAL A 45 6.535 -5.590 1.064 1.00 25.00 H new ATOM 0 HG21 VAL A 45 7.157 -8.482 1.984 1.00 25.00 H new ATOM 0 HG22 VAL A 45 6.646 -7.196 3.103 1.00 25.00 H new ATOM 0 HG23 VAL A 45 5.732 -8.721 3.023 1.00 25.00 H new ATOM 698 N GLU A 46 3.574 -7.608 4.150 1.00 25.00 N ATOM 699 CA GLU A 46 2.931 -8.579 5.028 1.00 25.00 C ATOM 700 C GLU A 46 1.432 -8.377 5.050 1.00 25.00 C ATOM 701 O GLU A 46 0.681 -9.345 5.062 1.00 25.00 O ATOM 702 CB GLU A 46 3.516 -8.499 6.429 1.00 25.00 C ATOM 703 CG GLU A 46 4.932 -9.010 6.451 1.00 25.00 C ATOM 704 CD GLU A 46 5.505 -9.123 7.849 1.00 25.00 C ATOM 705 OE1 GLU A 46 5.738 -10.274 8.286 1.00 25.00 O ATOM 706 OE2 GLU A 46 5.869 -8.082 8.445 1.00 25.00 O ATOM 0 H GLU A 46 4.159 -6.919 4.623 1.00 25.00 H new ATOM 0 HA GLU A 46 3.125 -9.578 4.636 1.00 25.00 H new ATOM 0 HB2 GLU A 46 3.492 -7.467 6.779 1.00 25.00 H new ATOM 0 HB3 GLU A 46 2.904 -9.083 7.117 1.00 25.00 H new ATOM 0 HG2 GLU A 46 4.966 -9.988 5.972 1.00 25.00 H new ATOM 0 HG3 GLU A 46 5.561 -8.344 5.860 1.00 25.00 H new ATOM 713 N GLU A 47 0.988 -7.133 4.975 1.00 25.00 N ATOM 714 CA GLU A 47 -0.442 -6.868 4.910 1.00 25.00 C ATOM 715 C GLU A 47 -0.942 -6.769 3.481 1.00 25.00 C ATOM 716 O GLU A 47 -2.088 -7.057 3.238 1.00 25.00 O ATOM 717 CB GLU A 47 -0.808 -5.585 5.648 1.00 25.00 C ATOM 718 CG GLU A 47 -0.742 -5.713 7.162 1.00 25.00 C ATOM 719 CD GLU A 47 0.665 -5.586 7.697 1.00 25.00 C ATOM 720 OE1 GLU A 47 1.325 -4.570 7.403 1.00 25.00 O ATOM 721 OE2 GLU A 47 1.109 -6.471 8.459 1.00 25.00 O ATOM 0 H GLU A 47 1.583 -6.304 4.958 1.00 25.00 H new ATOM 0 HA GLU A 47 -0.925 -7.717 5.394 1.00 25.00 H new ATOM 0 HB2 GLU A 47 -0.136 -4.788 5.330 1.00 25.00 H new ATOM 0 HB3 GLU A 47 -1.816 -5.285 5.361 1.00 25.00 H new ATOM 0 HG2 GLU A 47 -1.369 -4.945 7.615 1.00 25.00 H new ATOM 0 HG3 GLU A 47 -1.154 -6.677 7.459 1.00 25.00 H new ATOM 728 N CYS A 48 -0.112 -6.335 2.541 1.00 25.00 N ATOM 729 CA CYS A 48 -0.592 -6.118 1.170 1.00 25.00 C ATOM 730 C CYS A 48 -0.249 -7.208 0.146 1.00 25.00 C ATOM 731 O CYS A 48 -0.848 -7.230 -0.915 1.00 25.00 O ATOM 732 CB CYS A 48 -0.101 -4.763 0.666 1.00 25.00 C ATOM 733 SG CYS A 48 -0.718 -3.361 1.661 1.00 25.00 S ATOM 0 H CYS A 48 0.876 -6.128 2.690 1.00 25.00 H new ATOM 0 HA CYS A 48 -1.678 -6.155 1.250 1.00 25.00 H new ATOM 0 HB2 CYS A 48 0.989 -4.753 0.672 1.00 25.00 H new ATOM 0 HB3 CYS A 48 -0.415 -4.632 -0.369 1.00 25.00 H new ATOM 738 N CYS A 49 0.675 -8.111 0.463 1.00 25.00 N ATOM 739 CA CYS A 49 1.022 -9.229 -0.438 1.00 25.00 C ATOM 740 C CYS A 49 0.715 -10.586 0.200 1.00 25.00 C ATOM 741 O CYS A 49 0.035 -11.418 -0.392 1.00 25.00 O ATOM 742 CB CYS A 49 2.509 -9.196 -0.814 1.00 25.00 C ATOM 743 SG CYS A 49 3.024 -10.656 -1.780 1.00 25.00 S ATOM 0 H CYS A 49 1.203 -8.098 1.336 1.00 25.00 H new ATOM 0 HA CYS A 49 0.411 -9.105 -1.332 1.00 25.00 H new ATOM 0 HB2 CYS A 49 2.714 -8.294 -1.390 1.00 25.00 H new ATOM 0 HB3 CYS A 49 3.108 -9.137 0.095 1.00 25.00 H new ATOM 748 N PHE A 50 1.225 -10.810 1.405 1.00 25.00 N ATOM 749 CA PHE A 50 0.980 -12.069 2.118 1.00 25.00 C ATOM 750 C PHE A 50 -0.463 -12.090 2.608 1.00 25.00 C ATOM 751 O PHE A 50 -1.059 -13.147 2.807 1.00 25.00 O ATOM 752 CB PHE A 50 1.945 -12.223 3.297 1.00 25.00 C ATOM 753 CG PHE A 50 3.362 -12.514 2.882 1.00 25.00 C ATOM 754 CD1 PHE A 50 3.756 -13.832 2.587 1.00 25.00 C ATOM 755 CD2 PHE A 50 4.310 -11.479 2.764 1.00 25.00 C ATOM 756 CE1 PHE A 50 5.083 -14.121 2.178 1.00 25.00 C ATOM 757 CE2 PHE A 50 5.640 -11.754 2.355 1.00 25.00 C ATOM 758 CZ PHE A 50 6.024 -13.078 2.062 1.00 25.00 C ATOM 0 H PHE A 50 1.808 -10.144 1.911 1.00 25.00 H new ATOM 0 HA PHE A 50 1.148 -12.904 1.438 1.00 25.00 H new ATOM 0 HB2 PHE A 50 1.930 -11.309 3.890 1.00 25.00 H new ATOM 0 HB3 PHE A 50 1.592 -13.027 3.942 1.00 25.00 H new ATOM 0 HD1 PHE A 50 3.038 -14.634 2.673 1.00 25.00 H new ATOM 0 HD2 PHE A 50 4.020 -10.463 2.988 1.00 25.00 H new ATOM 0 HE1 PHE A 50 5.372 -15.138 1.956 1.00 25.00 H new ATOM 0 HE2 PHE A 50 6.357 -10.951 2.268 1.00 25.00 H new ATOM 0 HZ PHE A 50 7.035 -13.293 1.750 1.00 25.00 H new ATOM 768 N ARG A 51 -1.025 -10.901 2.746 1.00 25.00 N ATOM 769 CA ARG A 51 -2.424 -10.706 3.045 1.00 25.00 C ATOM 770 C ARG A 51 -2.912 -9.683 2.030 1.00 25.00 C ATOM 771 O ARG A 51 -2.136 -9.240 1.199 1.00 25.00 O ATOM 772 CB ARG A 51 -2.558 -10.159 4.458 1.00 25.00 C ATOM 773 CG ARG A 51 -3.807 -10.530 5.120 1.00 25.00 C ATOM 774 CD ARG A 51 -4.024 -9.653 6.341 1.00 25.00 C ATOM 775 NE ARG A 51 -5.330 -9.908 6.967 1.00 25.00 N ATOM 776 CZ ARG A 51 -6.468 -9.294 6.651 1.00 25.00 C ATOM 777 NH1 ARG A 51 -6.554 -8.380 5.717 1.00 25.00 N ATOM 778 NH2 ARG A 51 -7.554 -9.611 7.299 1.00 25.00 N ATOM 0 H ARG A 51 -0.505 -10.028 2.650 1.00 25.00 H new ATOM 0 HA ARG A 51 -3.001 -11.629 2.989 1.00 25.00 H new ATOM 0 HB2 ARG A 51 -1.720 -10.517 5.057 1.00 25.00 H new ATOM 0 HB3 ARG A 51 -2.485 -9.072 4.425 1.00 25.00 H new ATOM 0 HG2 ARG A 51 -4.642 -10.419 4.429 1.00 25.00 H new ATOM 0 HG3 ARG A 51 -3.775 -11.579 5.416 1.00 25.00 H new ATOM 0 HD2 ARG A 51 -3.231 -9.835 7.066 1.00 25.00 H new ATOM 0 HD3 ARG A 51 -3.957 -8.604 6.052 1.00 25.00 H new ATOM 0 HE ARG A 51 -5.367 -10.613 7.703 1.00 25.00 H new ATOM 0 HH11 ARG A 51 -5.723 -8.108 5.192 1.00 25.00 H new ATOM 0 HH12 ARG A 51 -7.452 -7.940 5.515 1.00 25.00 H new ATOM 0 HH21 ARG A 51 -7.522 -10.318 8.033 1.00 25.00 H new ATOM 0 HH22 ARG A 51 -8.436 -9.152 7.072 1.00 25.00 H new ATOM 792 N SER A 52 -4.158 -9.268 2.151 1.00 25.00 N ATOM 793 CA SER A 52 -4.697 -8.152 1.379 1.00 25.00 C ATOM 794 C SER A 52 -4.853 -7.010 2.375 1.00 25.00 C ATOM 795 O SER A 52 -5.004 -7.264 3.583 1.00 25.00 O ATOM 796 CB SER A 52 -6.047 -8.521 0.767 1.00 25.00 C ATOM 797 OG SER A 52 -6.962 -8.925 1.776 1.00 25.00 O ATOM 0 H SER A 52 -4.832 -9.693 2.788 1.00 25.00 H new ATOM 0 HA SER A 52 -4.043 -7.880 0.550 1.00 25.00 H new ATOM 0 HB2 SER A 52 -6.451 -7.667 0.223 1.00 25.00 H new ATOM 0 HB3 SER A 52 -5.916 -9.326 0.044 1.00 25.00 H new ATOM 0 HG SER A 52 -7.821 -9.156 1.365 1.00 25.00 H new ATOM 803 N CYS A 53 -4.794 -5.772 1.903 1.00 25.00 N ATOM 804 CA CYS A 53 -4.834 -4.610 2.790 1.00 25.00 C ATOM 805 C CYS A 53 -5.775 -3.536 2.280 1.00 25.00 C ATOM 806 O CYS A 53 -6.092 -3.478 1.095 1.00 25.00 O ATOM 807 CB CYS A 53 -3.426 -4.012 2.926 1.00 25.00 C ATOM 808 SG CYS A 53 -2.732 -3.368 1.364 1.00 25.00 S ATOM 0 H CYS A 53 -4.718 -5.543 0.912 1.00 25.00 H new ATOM 0 HA CYS A 53 -5.200 -4.953 3.757 1.00 25.00 H new ATOM 0 HB2 CYS A 53 -3.456 -3.205 3.658 1.00 25.00 H new ATOM 0 HB3 CYS A 53 -2.756 -4.776 3.321 1.00 25.00 H new ATOM 813 N ASP A 54 -6.198 -2.670 3.187 1.00 25.00 N ATOM 814 CA ASP A 54 -7.031 -1.531 2.840 1.00 25.00 C ATOM 815 C ASP A 54 -6.088 -0.389 2.517 1.00 25.00 C ATOM 816 O ASP A 54 -4.997 -0.316 3.080 1.00 25.00 O ATOM 817 CB ASP A 54 -7.906 -1.130 4.026 1.00 25.00 C ATOM 818 CG ASP A 54 -8.917 -2.196 4.384 1.00 25.00 C ATOM 819 OD1 ASP A 54 -9.916 -2.339 3.653 1.00 25.00 O ATOM 820 OD2 ASP A 54 -8.702 -2.901 5.395 1.00 25.00 O ATOM 0 H ASP A 54 -5.975 -2.737 4.180 1.00 25.00 H new ATOM 0 HA ASP A 54 -7.682 -1.774 2.001 1.00 25.00 H new ATOM 0 HB2 ASP A 54 -7.272 -0.930 4.890 1.00 25.00 H new ATOM 0 HB3 ASP A 54 -8.428 -0.202 3.791 1.00 25.00 H new ATOM 825 N LEU A 55 -6.516 0.538 1.674 1.00 25.00 N ATOM 826 CA LEU A 55 -5.689 1.705 1.352 1.00 25.00 C ATOM 827 C LEU A 55 -5.419 2.542 2.604 1.00 25.00 C ATOM 828 O LEU A 55 -4.394 3.193 2.715 1.00 25.00 O ATOM 829 CB LEU A 55 -6.355 2.561 0.267 1.00 25.00 C ATOM 830 CG LEU A 55 -7.724 3.195 0.580 1.00 25.00 C ATOM 831 CD1 LEU A 55 -7.567 4.666 0.970 1.00 25.00 C ATOM 832 CD2 LEU A 55 -8.642 3.078 -0.635 1.00 25.00 C ATOM 0 H LEU A 55 -7.420 0.512 1.202 1.00 25.00 H new ATOM 0 HA LEU A 55 -4.734 1.346 0.968 1.00 25.00 H new ATOM 0 HB2 LEU A 55 -5.667 3.365 0.008 1.00 25.00 H new ATOM 0 HB3 LEU A 55 -6.470 1.941 -0.622 1.00 25.00 H new ATOM 0 HG LEU A 55 -8.165 2.660 1.421 1.00 25.00 H new ATOM 0 HD11 LEU A 55 -8.547 5.092 1.186 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -6.935 4.742 1.855 1.00 25.00 H new ATOM 0 HD13 LEU A 55 -7.107 5.213 0.147 1.00 25.00 H new ATOM 0 HD21 LEU A 55 -9.608 3.528 -0.406 1.00 25.00 H new ATOM 0 HD22 LEU A 55 -8.192 3.596 -1.482 1.00 25.00 H new ATOM 0 HD23 LEU A 55 -8.782 2.026 -0.885 1.00 25.00 H new ATOM 844 N ALA A 56 -6.336 2.480 3.559 1.00 25.00 N ATOM 845 CA ALA A 56 -6.191 3.187 4.829 1.00 25.00 C ATOM 846 C ALA A 56 -5.026 2.618 5.644 1.00 25.00 C ATOM 847 O ALA A 56 -4.268 3.349 6.266 1.00 25.00 O ATOM 848 CB ALA A 56 -7.493 3.063 5.618 1.00 25.00 C ATOM 0 H ALA A 56 -7.199 1.942 3.479 1.00 25.00 H new ATOM 0 HA ALA A 56 -5.977 4.237 4.628 1.00 25.00 H new ATOM 0 HB1 ALA A 56 -7.394 3.588 6.568 1.00 25.00 H new ATOM 0 HB2 ALA A 56 -8.309 3.502 5.044 1.00 25.00 H new ATOM 0 HB3 ALA A 56 -7.706 2.011 5.806 1.00 25.00 H new ATOM 854 N LEU A 57 -4.902 1.299 5.642 1.00 25.00 N ATOM 855 CA LEU A 57 -3.824 0.634 6.363 1.00 25.00 C ATOM 856 C LEU A 57 -2.516 0.943 5.658 1.00 25.00 C ATOM 857 O LEU A 57 -1.504 1.249 6.276 1.00 25.00 O ATOM 858 CB LEU A 57 -4.071 -0.878 6.368 1.00 25.00 C ATOM 859 CG LEU A 57 -3.009 -1.686 7.125 1.00 25.00 C ATOM 860 CD1 LEU A 57 -3.671 -2.886 7.788 1.00 25.00 C ATOM 861 CD2 LEU A 57 -1.864 -2.164 6.221 1.00 25.00 C ATOM 0 H LEU A 57 -5.534 0.667 5.150 1.00 25.00 H new ATOM 0 HA LEU A 57 -3.782 0.987 7.394 1.00 25.00 H new ATOM 0 HB2 LEU A 57 -5.046 -1.074 6.813 1.00 25.00 H new ATOM 0 HB3 LEU A 57 -4.114 -1.231 5.338 1.00 25.00 H new ATOM 0 HG LEU A 57 -2.569 -1.025 7.872 1.00 25.00 H new ATOM 0 HD11 LEU A 57 -2.920 -3.464 8.327 1.00 25.00 H new ATOM 0 HD12 LEU A 57 -4.434 -2.541 8.486 1.00 25.00 H new ATOM 0 HD13 LEU A 57 -4.133 -3.514 7.026 1.00 25.00 H new ATOM 0 HD21 LEU A 57 -1.145 -2.729 6.813 1.00 25.00 H new ATOM 0 HD22 LEU A 57 -2.265 -2.801 5.432 1.00 25.00 H new ATOM 0 HD23 LEU A 57 -1.369 -1.302 5.775 1.00 25.00 H new ATOM 873 N LEU A 58 -2.566 0.858 4.345 1.00 25.00 N ATOM 874 CA LEU A 58 -1.418 1.102 3.492 1.00 25.00 C ATOM 875 C LEU A 58 -0.846 2.503 3.728 1.00 25.00 C ATOM 876 O LEU A 58 0.365 2.684 3.824 1.00 25.00 O ATOM 877 CB LEU A 58 -1.895 0.955 2.047 1.00 25.00 C ATOM 878 CG LEU A 58 -0.894 0.696 0.929 1.00 25.00 C ATOM 879 CD1 LEU A 58 -1.639 0.756 -0.352 1.00 25.00 C ATOM 880 CD2 LEU A 58 0.230 1.687 0.882 1.00 25.00 C ATOM 0 H LEU A 58 -3.414 0.615 3.833 1.00 25.00 H new ATOM 0 HA LEU A 58 -0.621 0.392 3.714 1.00 25.00 H new ATOM 0 HB2 LEU A 58 -2.618 0.140 2.028 1.00 25.00 H new ATOM 0 HB3 LEU A 58 -2.435 1.867 1.791 1.00 25.00 H new ATOM 0 HG LEU A 58 -0.436 -0.277 1.109 1.00 25.00 H new ATOM 0 HD11 LEU A 58 -0.954 0.575 -1.180 1.00 25.00 H new ATOM 0 HD12 LEU A 58 -2.420 -0.004 -0.354 1.00 25.00 H new ATOM 0 HD13 LEU A 58 -2.091 1.741 -0.464 1.00 25.00 H new ATOM 0 HD21 LEU A 58 0.901 1.437 0.060 1.00 25.00 H new ATOM 0 HD22 LEU A 58 -0.174 2.688 0.729 1.00 25.00 H new ATOM 0 HD23 LEU A 58 0.781 1.657 1.822 1.00 25.00 H new ATOM 892 N GLU A 59 -1.729 3.482 3.853 1.00 25.00 N ATOM 893 CA GLU A 59 -1.343 4.882 4.056 1.00 25.00 C ATOM 894 C GLU A 59 -0.424 5.088 5.272 1.00 25.00 C ATOM 895 O GLU A 59 0.372 6.021 5.311 1.00 25.00 O ATOM 896 CB GLU A 59 -2.612 5.737 4.214 1.00 25.00 C ATOM 897 CG GLU A 59 -2.350 7.239 4.268 1.00 25.00 C ATOM 898 CD GLU A 59 -3.623 8.074 4.312 1.00 25.00 C ATOM 899 OE1 GLU A 59 -4.698 7.554 4.662 1.00 25.00 O ATOM 900 OE2 GLU A 59 -3.525 9.293 4.025 1.00 25.00 O ATOM 0 H GLU A 59 -2.738 3.334 3.817 1.00 25.00 H new ATOM 0 HA GLU A 59 -0.773 5.190 3.179 1.00 25.00 H new ATOM 0 HB2 GLU A 59 -3.285 5.526 3.383 1.00 25.00 H new ATOM 0 HB3 GLU A 59 -3.128 5.436 5.126 1.00 25.00 H new ATOM 0 HG2 GLU A 59 -1.746 7.464 5.147 1.00 25.00 H new ATOM 0 HG3 GLU A 59 -1.764 7.530 3.396 1.00 25.00 H new ATOM 907 N THR A 60 -0.495 4.202 6.253 1.00 25.00 N ATOM 908 CA THR A 60 0.337 4.329 7.453 1.00 25.00 C ATOM 909 C THR A 60 1.832 4.132 7.168 1.00 25.00 C ATOM 910 O THR A 60 2.677 4.586 7.935 1.00 25.00 O ATOM 911 CB THR A 60 -0.116 3.350 8.553 1.00 25.00 C ATOM 912 OG1 THR A 60 0.192 2.006 8.172 1.00 25.00 O ATOM 913 CG2 THR A 60 -1.628 3.461 8.779 1.00 25.00 C ATOM 0 H THR A 60 -1.113 3.391 6.249 1.00 25.00 H new ATOM 0 HA THR A 60 0.202 5.353 7.803 1.00 25.00 H new ATOM 0 HB THR A 60 0.411 3.606 9.472 1.00 25.00 H new ATOM 0 HG1 THR A 60 -0.429 1.714 7.472 1.00 25.00 H new ATOM 0 HG21 THR A 60 -1.932 2.763 9.559 1.00 25.00 H new ATOM 0 HG22 THR A 60 -1.877 4.477 9.085 1.00 25.00 H new ATOM 0 HG23 THR A 60 -2.153 3.222 7.854 1.00 25.00 H new ATOM 921 N TYR A 61 2.154 3.474 6.060 1.00 25.00 N ATOM 922 CA TYR A 61 3.548 3.254 5.650 1.00 25.00 C ATOM 923 C TYR A 61 4.135 4.479 4.950 1.00 25.00 C ATOM 924 O TYR A 61 5.335 4.524 4.630 1.00 25.00 O ATOM 925 CB TYR A 61 3.625 2.063 4.698 1.00 25.00 C ATOM 926 CG TYR A 61 3.537 0.734 5.403 1.00 25.00 C ATOM 927 CD1 TYR A 61 2.290 0.121 5.670 1.00 25.00 C ATOM 928 CD2 TYR A 61 4.708 0.074 5.814 1.00 25.00 C ATOM 929 CE1 TYR A 61 2.229 -1.142 6.327 1.00 25.00 C ATOM 930 CE2 TYR A 61 4.645 -1.168 6.475 1.00 25.00 C ATOM 931 CZ TYR A 61 3.414 -1.765 6.719 1.00 25.00 C ATOM 932 OH TYR A 61 3.424 -2.982 7.341 1.00 25.00 O ATOM 0 H TYR A 61 1.466 3.078 5.420 1.00 25.00 H new ATOM 0 HA TYR A 61 4.127 3.061 6.553 1.00 25.00 H new ATOM 0 HB2 TYR A 61 2.817 2.135 3.970 1.00 25.00 H new ATOM 0 HB3 TYR A 61 4.561 2.111 4.141 1.00 25.00 H new ATOM 0 HD1 TYR A 61 1.376 0.615 5.373 1.00 25.00 H new ATOM 0 HD2 TYR A 61 5.670 0.526 5.620 1.00 25.00 H new ATOM 0 HE1 TYR A 61 1.276 -1.612 6.519 1.00 25.00 H new ATOM 0 HE2 TYR A 61 5.554 -1.657 6.793 1.00 25.00 H new ATOM 0 HH TYR A 61 2.653 -3.508 7.043 1.00 25.00 H new ATOM 942 N CYS A 62 3.300 5.467 4.678 1.00 25.00 N ATOM 943 CA CYS A 62 3.761 6.680 4.024 1.00 25.00 C ATOM 944 C CYS A 62 4.645 7.514 4.958 1.00 25.00 C ATOM 945 O CYS A 62 4.566 7.409 6.178 1.00 25.00 O ATOM 946 CB CYS A 62 2.582 7.476 3.490 1.00 25.00 C ATOM 947 SG CYS A 62 1.698 6.486 2.245 1.00 25.00 S ATOM 0 H CYS A 62 2.304 5.454 4.898 1.00 25.00 H new ATOM 0 HA CYS A 62 4.382 6.400 3.173 1.00 25.00 H new ATOM 0 HB2 CYS A 62 1.909 7.741 4.305 1.00 25.00 H new ATOM 0 HB3 CYS A 62 2.930 8.410 3.048 1.00 25.00 H new ATOM 952 N ALA A 63 5.539 8.295 4.366 1.00 25.00 N ATOM 953 CA ALA A 63 6.550 9.020 5.132 1.00 25.00 C ATOM 954 C ALA A 63 5.919 10.105 6.001 1.00 25.00 C ATOM 955 O ALA A 63 6.434 10.422 7.075 1.00 25.00 O ATOM 956 CB ALA A 63 7.590 9.624 4.190 1.00 25.00 C ATOM 0 H ALA A 63 5.587 8.444 3.358 1.00 25.00 H new ATOM 0 HA ALA A 63 7.044 8.311 5.797 1.00 25.00 H new ATOM 0 HB1 ALA A 63 8.339 10.162 4.771 1.00 25.00 H new ATOM 0 HB2 ALA A 63 8.074 8.828 3.624 1.00 25.00 H new ATOM 0 HB3 ALA A 63 7.101 10.313 3.502 1.00 25.00 H new ATOM 962 N THR A 64 4.797 10.647 5.553 1.00 25.00 N ATOM 963 CA THR A 64 4.021 11.574 6.368 1.00 25.00 C ATOM 964 C THR A 64 2.560 11.133 6.366 1.00 25.00 C ATOM 965 O THR A 64 2.092 10.516 5.405 1.00 25.00 O ATOM 966 CB THR A 64 4.120 13.034 5.890 1.00 25.00 C ATOM 967 OG1 THR A 64 3.846 13.113 4.492 1.00 25.00 O ATOM 968 CG2 THR A 64 5.499 13.592 6.144 1.00 25.00 C ATOM 0 H THR A 64 4.402 10.462 4.631 1.00 25.00 H new ATOM 0 HA THR A 64 4.438 11.547 7.375 1.00 25.00 H new ATOM 0 HB THR A 64 3.388 13.617 6.448 1.00 25.00 H new ATOM 0 HG1 THR A 64 3.910 14.046 4.198 1.00 25.00 H new ATOM 0 HG21 THR A 64 5.543 14.625 5.798 1.00 25.00 H new ATOM 0 HG22 THR A 64 5.714 13.558 7.212 1.00 25.00 H new ATOM 0 HG23 THR A 64 6.237 12.997 5.606 1.00 25.00 H new ATOM 976 N PRO A 65 1.837 11.399 7.465 1.00 25.00 N ATOM 977 CA PRO A 65 0.461 10.920 7.622 1.00 25.00 C ATOM 978 C PRO A 65 -0.586 11.809 6.971 1.00 25.00 C ATOM 979 O PRO A 65 -0.287 12.885 6.448 1.00 25.00 O ATOM 980 CB PRO A 65 0.286 10.948 9.137 1.00 25.00 C ATOM 981 CG PRO A 65 1.052 12.142 9.534 1.00 25.00 C ATOM 982 CD PRO A 65 2.276 12.135 8.669 1.00 25.00 C ATOM 0 HA PRO A 65 0.320 9.950 7.145 1.00 25.00 H new ATOM 0 HB2 PRO A 65 -0.763 11.028 9.421 1.00 25.00 H new ATOM 0 HB3 PRO A 65 0.675 10.044 9.606 1.00 25.00 H new ATOM 0 HG2 PRO A 65 0.469 13.051 9.383 1.00 25.00 H new ATOM 0 HG3 PRO A 65 1.317 12.105 10.591 1.00 25.00 H new ATOM 0 HD2 PRO A 65 2.602 13.146 8.426 1.00 25.00 H new ATOM 0 HD3 PRO A 65 3.113 11.639 9.161 1.00 25.00 H new ATOM 990 N ALA A 66 -1.835 11.386 7.077 1.00 25.00 N ATOM 991 CA ALA A 66 -2.959 12.191 6.619 1.00 25.00 C ATOM 992 C ALA A 66 -3.046 13.444 7.494 1.00 25.00 C ATOM 993 O ALA A 66 -2.828 13.382 8.709 1.00 25.00 O ATOM 994 CB ALA A 66 -4.260 11.382 6.721 1.00 25.00 C ATOM 0 H ALA A 66 -2.098 10.486 7.478 1.00 25.00 H new ATOM 0 HA ALA A 66 -2.814 12.477 5.577 1.00 25.00 H new ATOM 0 HB1 ALA A 66 -5.095 11.992 6.377 1.00 25.00 H new ATOM 0 HB2 ALA A 66 -4.183 10.489 6.101 1.00 25.00 H new ATOM 0 HB3 ALA A 66 -4.427 11.091 7.758 1.00 25.00 H new ATOM 1000 N LYS A 67 -3.382 14.577 6.888 1.00 25.00 N ATOM 1001 CA LYS A 67 -3.566 15.827 7.641 1.00 25.00 C ATOM 1002 C LYS A 67 -4.905 16.453 7.315 1.00 25.00 C ATOM 1003 O LYS A 67 -5.222 17.556 7.735 1.00 25.00 O ATOM 1004 CB LYS A 67 -2.419 16.815 7.357 1.00 25.00 C ATOM 1005 CG LYS A 67 -1.026 16.333 7.825 1.00 25.00 C ATOM 1006 CD LYS A 67 -0.597 16.941 9.179 1.00 25.00 C ATOM 1007 CE LYS A 67 -1.446 16.464 10.374 1.00 25.00 C ATOM 1008 NZ LYS A 67 -1.366 14.975 10.597 1.00 25.00 N ATOM 0 H LYS A 67 -3.533 14.663 5.883 1.00 25.00 H new ATOM 0 HA LYS A 67 -3.549 15.588 8.704 1.00 25.00 H new ATOM 0 HB2 LYS A 67 -2.381 17.009 6.285 1.00 25.00 H new ATOM 0 HB3 LYS A 67 -2.644 17.763 7.845 1.00 25.00 H new ATOM 0 HG2 LYS A 67 -1.033 15.246 7.908 1.00 25.00 H new ATOM 0 HG3 LYS A 67 -0.286 16.590 7.067 1.00 25.00 H new ATOM 0 HD2 LYS A 67 0.447 16.690 9.364 1.00 25.00 H new ATOM 0 HD3 LYS A 67 -0.657 18.027 9.114 1.00 25.00 H new ATOM 0 HE2 LYS A 67 -1.115 16.979 11.276 1.00 25.00 H new ATOM 0 HE3 LYS A 67 -2.486 16.746 10.209 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 -1.753 14.743 11.534 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 -1.917 14.484 9.864 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 -0.373 14.669 10.547 1.00 25.00 H new ATOM 1022 N SER A 68 -5.706 15.688 6.601 1.00 25.00 N ATOM 1023 CA SER A 68 -7.046 16.102 6.209 1.00 25.00 C ATOM 1024 C SER A 68 -8.037 15.504 7.194 1.00 25.00 C ATOM 1025 O SER A 68 -8.580 14.428 6.974 1.00 25.00 O ATOM 1026 CB SER A 68 -7.343 15.613 4.792 1.00 25.00 C ATOM 1027 OG SER A 68 -6.347 16.086 3.899 1.00 25.00 O ATOM 0 H SER A 68 -5.448 14.757 6.273 1.00 25.00 H new ATOM 0 HA SER A 68 -7.126 17.189 6.220 1.00 25.00 H new ATOM 0 HB2 SER A 68 -7.373 14.524 4.773 1.00 25.00 H new ATOM 0 HB3 SER A 68 -8.325 15.965 4.475 1.00 25.00 H new ATOM 0 HG SER A 68 -6.542 15.768 2.993 1.00 25.00 H new ATOM 1033 N GLU A 69 -8.205 16.186 8.335 1.00 25.00 N ATOM 1034 CA GLU A 69 -9.041 15.731 9.472 1.00 25.00 C ATOM 1035 C GLU A 69 -8.508 14.443 10.124 1.00 25.00 C ATOM 1036 O GLU A 69 -8.561 13.371 9.385 1.00 25.00 O ATOM 1037 CB GLU A 69 -10.550 15.641 9.114 1.00 25.00 C ATOM 1038 CG GLU A 69 -11.407 15.345 10.362 1.00 25.00 C ATOM 1039 CD GLU A 69 -12.861 15.232 9.983 1.00 25.00 C ATOM 1040 OE1 GLU A 69 -13.504 16.111 9.460 1.00 25.00 O ATOM 1041 OE2 GLU A 69 -13.380 14.084 10.250 1.00 25.00 O ATOM 0 H GLU A 69 -7.758 17.087 8.504 1.00 25.00 H new ATOM 0 HA GLU A 69 -8.960 16.509 10.231 1.00 25.00 H new ATOM 0 HB2 GLU A 69 -10.875 16.578 8.661 1.00 25.00 H new ATOM 0 HB3 GLU A 69 -10.703 14.858 8.371 1.00 25.00 H new ATOM 0 HG2 GLU A 69 -11.073 14.419 10.830 1.00 25.00 H new ATOM 0 HG3 GLU A 69 -11.277 16.139 11.098 1.00 25.00 H new TER 1048 GLU A 69