USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 491 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 9 CYS SG : rot 46:sc= -0.232 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 16 MET CE :methyl 155:sc= -4.2! (180deg=-6.37!) USER MOD Single : A 18 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.76) USER MOD Single : A 22 SER OG : rot -40:sc= 1.26 USER MOD Single : A 23 HIS : no HD1:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -2.75! USER MOD Single : A 33 SER OG : rot 4:sc= 0.822! USER MOD Single : A 41 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.18) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot -140:sc= -0.246 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 6.758 -4.238 -12.199 1.00 0.00 N ATOM 42 CA LEU A 4 7.899 -5.082 -11.860 1.00 0.00 C ATOM 43 C LEU A 4 9.030 -4.899 -12.867 1.00 0.00 C ATOM 44 O LEU A 4 8.889 -5.235 -14.043 1.00 0.00 O ATOM 45 CB LEU A 4 7.475 -6.551 -11.814 1.00 0.00 C ATOM 46 CG LEU A 4 6.708 -6.990 -10.566 1.00 0.00 C ATOM 47 CD1 LEU A 4 5.213 -6.796 -10.763 1.00 0.00 C ATOM 48 CD2 LEU A 4 7.020 -8.441 -10.230 1.00 0.00 C ATOM 0 HA LEU A 4 8.261 -4.783 -10.876 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.856 -6.757 -12.687 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.368 -7.169 -11.903 1.00 0.00 H new ATOM 0 HG LEU A 4 7.027 -6.368 -9.730 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.683 -7.114 -9.865 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.005 -5.743 -10.954 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.878 -7.392 -11.612 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.465 -8.736 -9.339 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.730 -9.078 -11.065 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.089 -8.550 -10.044 1.00 0.00 H new ATOM 60 N ARG A 5 10.152 -4.365 -12.397 1.00 0.00 N ATOM 61 CA ARG A 5 11.309 -4.138 -13.255 1.00 0.00 C ATOM 62 C ARG A 5 12.503 -4.965 -12.789 1.00 0.00 C ATOM 63 O ARG A 5 12.400 -5.744 -11.841 1.00 0.00 O ATOM 64 CB ARG A 5 11.677 -2.653 -13.269 1.00 0.00 C ATOM 65 CG ARG A 5 11.967 -2.085 -11.889 1.00 0.00 C ATOM 66 CD ARG A 5 13.165 -1.148 -11.913 1.00 0.00 C ATOM 67 NE ARG A 5 12.869 0.134 -11.280 1.00 0.00 N ATOM 68 CZ ARG A 5 12.103 1.068 -11.834 1.00 0.00 C ATOM 69 NH1 ARG A 5 11.557 0.862 -13.024 1.00 0.00 N ATOM 70 NH2 ARG A 5 11.880 2.209 -11.195 1.00 0.00 N ATOM 0 H ARG A 5 10.285 -4.081 -11.426 1.00 0.00 H new ATOM 0 HA ARG A 5 11.046 -4.450 -14.266 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.552 -2.510 -13.903 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.861 -2.089 -13.721 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.091 -1.549 -11.524 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.155 -2.901 -11.191 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.004 -1.619 -11.402 1.00 0.00 H new ATOM 0 HD3 ARG A 5 13.474 -0.980 -12.945 1.00 0.00 H new ATOM 0 HE ARG A 5 13.272 0.323 -10.362 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.724 -0.015 -13.517 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.969 1.581 -13.447 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.297 2.370 -10.278 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.292 2.925 -11.621 1.00 0.00 H new ATOM 84 N VAL A 6 13.636 -4.790 -13.462 1.00 0.00 N ATOM 85 CA VAL A 6 14.851 -5.519 -13.116 1.00 0.00 C ATOM 86 C VAL A 6 15.538 -4.899 -11.905 1.00 0.00 C ATOM 87 O VAL A 6 15.625 -3.678 -11.785 1.00 0.00 O ATOM 88 CB VAL A 6 15.841 -5.550 -14.295 1.00 0.00 C ATOM 89 CG1 VAL A 6 16.169 -4.138 -14.755 1.00 0.00 C ATOM 90 CG2 VAL A 6 17.107 -6.301 -13.907 1.00 0.00 C ATOM 0 H VAL A 6 13.738 -4.150 -14.250 1.00 0.00 H new ATOM 0 HA VAL A 6 14.551 -6.539 -12.876 1.00 0.00 H new ATOM 0 HB VAL A 6 15.373 -6.077 -15.126 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.870 -4.181 -15.589 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.255 -3.638 -15.075 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.618 -3.582 -13.932 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.796 -6.314 -14.752 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.580 -5.804 -13.060 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.853 -7.324 -13.631 1.00 0.00 H new ATOM 100 N GLY A 7 16.027 -5.751 -11.008 1.00 0.00 N ATOM 101 CA GLY A 7 16.701 -5.268 -9.817 1.00 0.00 C ATOM 102 C GLY A 7 15.758 -5.108 -8.642 1.00 0.00 C ATOM 103 O GLY A 7 16.110 -4.495 -7.633 1.00 0.00 O ATOM 0 H GLY A 7 15.968 -6.766 -11.085 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.498 -5.961 -9.548 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.173 -4.309 -10.034 1.00 0.00 H new ATOM 107 N LEU A 8 14.556 -5.658 -8.771 1.00 0.00 N ATOM 108 CA LEU A 8 13.558 -5.573 -7.710 1.00 0.00 C ATOM 109 C LEU A 8 13.976 -6.401 -6.500 1.00 0.00 C ATOM 110 O LEU A 8 13.611 -6.090 -5.366 1.00 0.00 O ATOM 111 CB LEU A 8 12.198 -6.050 -8.224 1.00 0.00 C ATOM 112 CG LEU A 8 12.085 -7.542 -8.540 1.00 0.00 C ATOM 113 CD1 LEU A 8 11.378 -8.274 -7.411 1.00 0.00 C ATOM 114 CD2 LEU A 8 11.354 -7.754 -9.857 1.00 0.00 C ATOM 0 H LEU A 8 14.248 -6.168 -9.599 1.00 0.00 H new ATOM 0 HA LEU A 8 13.479 -4.530 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.442 -5.799 -7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.956 -5.489 -9.126 1.00 0.00 H new ATOM 0 HG LEU A 8 13.091 -7.951 -8.636 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.307 -9.334 -7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.943 -8.150 -6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.377 -7.863 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.283 -8.821 -10.066 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.352 -7.330 -9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.902 -7.263 -10.661 1.00 0.00 H new ATOM 126 N CYS A 9 14.746 -7.455 -6.749 1.00 0.00 N ATOM 127 CA CYS A 9 15.216 -8.328 -5.679 1.00 0.00 C ATOM 128 C CYS A 9 16.386 -9.185 -6.151 1.00 0.00 C ATOM 129 O CYS A 9 16.606 -9.373 -7.347 1.00 0.00 O ATOM 130 CB CYS A 9 14.078 -9.223 -5.185 1.00 0.00 C ATOM 131 SG CYS A 9 13.340 -8.686 -3.624 1.00 0.00 S ATOM 0 H CYS A 9 15.058 -7.725 -7.682 1.00 0.00 H new ATOM 0 HA CYS A 9 15.558 -7.701 -4.856 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.301 -9.259 -5.948 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.455 -10.239 -5.066 1.00 0.00 H new ATOM 0 HG CYS A 9 13.116 -7.406 -3.668 1.00 0.00 H new ATOM 137 N PRO A 10 17.155 -9.717 -5.190 1.00 0.00 N ATOM 138 CA PRO A 10 18.316 -10.562 -5.483 1.00 0.00 C ATOM 139 C PRO A 10 17.917 -11.920 -6.051 1.00 0.00 C ATOM 140 O PRO A 10 17.741 -12.886 -5.310 1.00 0.00 O ATOM 141 CB PRO A 10 18.987 -10.730 -4.117 1.00 0.00 C ATOM 142 CG PRO A 10 17.888 -10.538 -3.130 1.00 0.00 C ATOM 143 CD PRO A 10 16.951 -9.535 -3.743 1.00 0.00 C ATOM 0 HA PRO A 10 18.963 -10.117 -6.239 1.00 0.00 H new ATOM 0 HB2 PRO A 10 19.441 -11.716 -4.017 1.00 0.00 H new ATOM 0 HB3 PRO A 10 19.781 -9.997 -3.973 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.375 -11.479 -2.929 1.00 0.00 H new ATOM 0 HG3 PRO A 10 18.277 -10.177 -2.178 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.917 -9.724 -3.456 1.00 0.00 H new ATOM 0 HD3 PRO A 10 17.188 -8.519 -3.428 1.00 0.00 H new ATOM 151 N GLY A 11 17.775 -11.986 -7.371 1.00 0.00 N ATOM 152 CA GLY A 11 17.397 -13.230 -8.016 1.00 0.00 C ATOM 153 C GLY A 11 16.689 -13.007 -9.337 1.00 0.00 C ATOM 154 O GLY A 11 16.888 -13.760 -10.291 1.00 0.00 O ATOM 0 H GLY A 11 17.915 -11.200 -8.006 1.00 0.00 H new ATOM 0 HA2 GLY A 11 18.289 -13.835 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.747 -13.798 -7.350 1.00 0.00 H new ATOM 158 N LEU A 12 15.860 -11.971 -9.394 1.00 0.00 N ATOM 159 CA LEU A 12 15.118 -11.651 -10.609 1.00 0.00 C ATOM 160 C LEU A 12 16.028 -11.006 -11.649 1.00 0.00 C ATOM 161 O LEU A 12 16.840 -10.138 -11.328 1.00 0.00 O ATOM 162 CB LEU A 12 13.951 -10.716 -10.286 1.00 0.00 C ATOM 163 CG LEU A 12 12.618 -11.393 -9.962 1.00 0.00 C ATOM 164 CD1 LEU A 12 12.023 -12.026 -11.210 1.00 0.00 C ATOM 165 CD2 LEU A 12 12.802 -12.435 -8.869 1.00 0.00 C ATOM 0 H LEU A 12 15.684 -11.338 -8.614 1.00 0.00 H new ATOM 0 HA LEU A 12 14.727 -12.581 -11.022 1.00 0.00 H new ATOM 0 HB2 LEU A 12 14.235 -10.093 -9.438 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.800 -10.049 -11.135 1.00 0.00 H new ATOM 0 HG LEU A 12 11.925 -10.634 -9.600 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.075 -12.503 -10.960 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.854 -11.256 -11.963 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.712 -12.773 -11.603 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.844 -12.907 -8.651 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.511 -13.192 -9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.183 -11.954 -7.968 1.00 0.00 H new ATOM 177 N THR A 13 15.886 -11.435 -12.900 1.00 0.00 N ATOM 178 CA THR A 13 16.694 -10.899 -13.988 1.00 0.00 C ATOM 179 C THR A 13 15.829 -10.161 -15.003 1.00 0.00 C ATOM 180 O THR A 13 14.621 -10.383 -15.080 1.00 0.00 O ATOM 181 CB THR A 13 17.474 -12.014 -14.709 1.00 0.00 C ATOM 182 OG1 THR A 13 18.151 -11.478 -15.852 1.00 0.00 O ATOM 183 CG2 THR A 13 16.540 -13.133 -15.146 1.00 0.00 C ATOM 0 H THR A 13 15.219 -12.152 -13.184 1.00 0.00 H new ATOM 0 HA THR A 13 17.402 -10.200 -13.542 1.00 0.00 H new ATOM 0 HB THR A 13 18.205 -12.424 -14.012 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.646 -12.193 -16.304 1.00 0.00 H new ATOM 0 HG21 THR A 13 17.114 -13.909 -15.653 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.048 -13.559 -14.271 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.788 -12.734 -15.827 1.00 0.00 H new ATOM 191 N GLU A 14 16.455 -9.283 -15.780 1.00 0.00 N ATOM 192 CA GLU A 14 15.741 -8.513 -16.791 1.00 0.00 C ATOM 193 C GLU A 14 15.055 -9.435 -17.795 1.00 0.00 C ATOM 194 O GLU A 14 14.039 -9.077 -18.388 1.00 0.00 O ATOM 195 CB GLU A 14 16.702 -7.572 -17.521 1.00 0.00 C ATOM 196 CG GLU A 14 17.644 -8.285 -18.476 1.00 0.00 C ATOM 197 CD GLU A 14 17.196 -8.186 -19.921 1.00 0.00 C ATOM 198 OE1 GLU A 14 16.699 -7.110 -20.316 1.00 0.00 O ATOM 199 OE2 GLU A 14 17.343 -9.184 -20.657 1.00 0.00 O ATOM 0 H GLU A 14 17.455 -9.087 -15.729 1.00 0.00 H new ATOM 0 HA GLU A 14 14.977 -7.921 -16.286 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.123 -6.835 -18.078 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.290 -7.025 -16.785 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.643 -7.860 -18.380 1.00 0.00 H new ATOM 0 HG3 GLU A 14 17.716 -9.335 -18.193 1.00 0.00 H new ATOM 206 N GLU A 15 15.620 -10.625 -17.978 1.00 0.00 N ATOM 207 CA GLU A 15 15.064 -11.598 -18.911 1.00 0.00 C ATOM 208 C GLU A 15 13.619 -11.932 -18.551 1.00 0.00 C ATOM 209 O GLU A 15 12.740 -11.943 -19.412 1.00 0.00 O ATOM 210 CB GLU A 15 15.909 -12.874 -18.915 1.00 0.00 C ATOM 211 CG GLU A 15 17.033 -12.856 -19.937 1.00 0.00 C ATOM 212 CD GLU A 15 17.865 -14.124 -19.912 1.00 0.00 C ATOM 213 OE1 GLU A 15 18.206 -14.588 -18.804 1.00 0.00 O ATOM 214 OE2 GLU A 15 18.173 -14.652 -21.001 1.00 0.00 O ATOM 0 H GLU A 15 16.461 -10.938 -17.493 1.00 0.00 H new ATOM 0 HA GLU A 15 15.079 -11.158 -19.908 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.334 -13.021 -17.922 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.262 -13.728 -19.114 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.611 -12.722 -20.933 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.678 -11.999 -19.747 1.00 0.00 H new ATOM 221 N MET A 16 13.383 -12.206 -17.272 1.00 0.00 N ATOM 222 CA MET A 16 12.045 -12.540 -16.797 1.00 0.00 C ATOM 223 C MET A 16 11.098 -11.356 -16.960 1.00 0.00 C ATOM 224 O MET A 16 9.899 -11.533 -17.179 1.00 0.00 O ATOM 225 CB MET A 16 12.094 -12.971 -15.330 1.00 0.00 C ATOM 226 CG MET A 16 11.788 -14.445 -15.119 1.00 0.00 C ATOM 227 SD MET A 16 11.135 -14.790 -13.474 1.00 0.00 S ATOM 228 CE MET A 16 12.521 -15.647 -12.732 1.00 0.00 C ATOM 0 H MET A 16 14.100 -12.203 -16.547 1.00 0.00 H new ATOM 0 HA MET A 16 11.670 -13.368 -17.399 1.00 0.00 H new ATOM 0 HB2 MET A 16 13.084 -12.753 -14.929 1.00 0.00 H new ATOM 0 HB3 MET A 16 11.381 -12.375 -14.761 1.00 0.00 H new ATOM 0 HG2 MET A 16 11.067 -14.773 -15.868 1.00 0.00 H new ATOM 0 HG3 MET A 16 12.697 -15.027 -15.274 1.00 0.00 H new ATOM 0 HE1 MET A 16 12.478 -15.538 -11.648 1.00 0.00 H new ATOM 0 HE2 MET A 16 12.477 -16.705 -12.992 1.00 0.00 H new ATOM 0 HE3 MET A 16 13.453 -15.221 -13.103 1.00 0.00 H new ATOM 238 N ILE A 17 11.644 -10.149 -16.852 1.00 0.00 N ATOM 239 CA ILE A 17 10.847 -8.936 -16.989 1.00 0.00 C ATOM 240 C ILE A 17 10.249 -8.825 -18.387 1.00 0.00 C ATOM 241 O ILE A 17 9.109 -8.391 -18.552 1.00 0.00 O ATOM 242 CB ILE A 17 11.685 -7.676 -16.700 1.00 0.00 C ATOM 243 CG1 ILE A 17 12.466 -7.845 -15.395 1.00 0.00 C ATOM 244 CG2 ILE A 17 10.789 -6.448 -16.632 1.00 0.00 C ATOM 245 CD1 ILE A 17 11.593 -8.188 -14.208 1.00 0.00 C ATOM 0 H ILE A 17 12.634 -9.985 -16.670 1.00 0.00 H new ATOM 0 HA ILE A 17 10.042 -9.004 -16.257 1.00 0.00 H new ATOM 0 HB ILE A 17 12.398 -7.537 -17.513 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.211 -8.629 -15.526 1.00 0.00 H new ATOM 0 HG13 ILE A 17 13.007 -6.923 -15.183 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.396 -5.566 -16.427 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.273 -6.321 -17.584 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.055 -6.577 -15.836 1.00 0.00 H new ATOM 0 HD11 ILE A 17 12.214 -8.293 -13.318 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.864 -7.393 -14.051 1.00 0.00 H new ATOM 0 HD13 ILE A 17 11.071 -9.126 -14.399 1.00 0.00 H new ATOM 257 N GLN A 18 11.025 -9.223 -19.390 1.00 0.00 N ATOM 258 CA GLN A 18 10.572 -9.169 -20.775 1.00 0.00 C ATOM 259 C GLN A 18 9.297 -9.986 -20.962 1.00 0.00 C ATOM 260 O GLN A 18 8.404 -9.599 -21.716 1.00 0.00 O ATOM 261 CB GLN A 18 11.665 -9.685 -21.712 1.00 0.00 C ATOM 262 CG GLN A 18 11.553 -9.149 -23.130 1.00 0.00 C ATOM 263 CD GLN A 18 10.520 -9.892 -23.955 1.00 0.00 C ATOM 264 OE1 GLN A 18 9.470 -9.345 -24.294 1.00 0.00 O ATOM 265 NE2 GLN A 18 10.814 -11.144 -24.284 1.00 0.00 N ATOM 0 H GLN A 18 11.970 -9.586 -19.269 1.00 0.00 H new ATOM 0 HA GLN A 18 10.355 -8.129 -21.020 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.639 -9.413 -21.305 1.00 0.00 H new ATOM 0 HB3 GLN A 18 11.624 -10.774 -21.740 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.292 -8.091 -23.095 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.524 -9.222 -23.620 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.696 -11.557 -23.981 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.158 -11.693 -24.840 1.00 0.00 H new ATOM 274 N LEU A 19 9.220 -11.119 -20.271 1.00 0.00 N ATOM 275 CA LEU A 19 8.055 -11.992 -20.362 1.00 0.00 C ATOM 276 C LEU A 19 6.839 -11.346 -19.705 1.00 0.00 C ATOM 277 O LEU A 19 5.712 -11.489 -20.183 1.00 0.00 O ATOM 278 CB LEU A 19 8.350 -13.339 -19.700 1.00 0.00 C ATOM 279 CG LEU A 19 9.307 -14.262 -20.455 1.00 0.00 C ATOM 280 CD1 LEU A 19 9.989 -15.225 -19.496 1.00 0.00 C ATOM 281 CD2 LEU A 19 8.566 -15.025 -21.543 1.00 0.00 C ATOM 0 H LEU A 19 9.950 -11.454 -19.642 1.00 0.00 H new ATOM 0 HA LEU A 19 7.833 -12.153 -21.417 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.764 -13.151 -18.709 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.406 -13.865 -19.557 1.00 0.00 H new ATOM 0 HG LEU A 19 10.074 -13.649 -20.928 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.666 -15.874 -20.052 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.554 -14.661 -18.754 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.236 -15.832 -18.993 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.263 -15.677 -22.070 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.777 -15.627 -21.092 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.127 -14.319 -22.248 1.00 0.00 H new ATOM 293 N LEU A 20 7.073 -10.633 -18.609 1.00 0.00 N ATOM 294 CA LEU A 20 5.997 -9.962 -17.888 1.00 0.00 C ATOM 295 C LEU A 20 5.404 -8.832 -18.723 1.00 0.00 C ATOM 296 O LEU A 20 4.185 -8.671 -18.792 1.00 0.00 O ATOM 297 CB LEU A 20 6.514 -9.412 -16.558 1.00 0.00 C ATOM 298 CG LEU A 20 7.220 -10.415 -15.645 1.00 0.00 C ATOM 299 CD1 LEU A 20 8.128 -9.694 -14.661 1.00 0.00 C ATOM 300 CD2 LEU A 20 6.202 -11.272 -14.907 1.00 0.00 C ATOM 0 H LEU A 20 7.999 -10.505 -18.200 1.00 0.00 H new ATOM 0 HA LEU A 20 5.213 -10.693 -17.692 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.204 -8.595 -16.769 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.672 -8.985 -16.013 1.00 0.00 H new ATOM 0 HG LEU A 20 7.836 -11.069 -16.262 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.622 -10.424 -14.020 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.879 -9.125 -15.209 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.535 -9.015 -14.048 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.722 -11.980 -14.262 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.560 -10.633 -14.301 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.594 -11.818 -15.629 1.00 0.00 H new ATOM 312 N ARG A 21 6.274 -8.052 -19.357 1.00 0.00 N ATOM 313 CA ARG A 21 5.836 -6.937 -20.189 1.00 0.00 C ATOM 314 C ARG A 21 5.193 -7.440 -21.478 1.00 0.00 C ATOM 315 O ARG A 21 4.327 -6.779 -22.051 1.00 0.00 O ATOM 316 CB ARG A 21 7.018 -6.024 -20.518 1.00 0.00 C ATOM 317 CG ARG A 21 8.156 -6.734 -21.233 1.00 0.00 C ATOM 318 CD ARG A 21 9.330 -5.799 -21.478 1.00 0.00 C ATOM 319 NE ARG A 21 8.934 -4.607 -22.223 1.00 0.00 N ATOM 320 CZ ARG A 21 8.648 -4.613 -23.520 1.00 0.00 C ATOM 321 NH1 ARG A 21 8.713 -5.742 -24.212 1.00 0.00 N ATOM 322 NH2 ARG A 21 8.296 -3.487 -24.128 1.00 0.00 N ATOM 0 H ARG A 21 7.286 -8.172 -19.310 1.00 0.00 H new ATOM 0 HA ARG A 21 5.092 -6.369 -19.630 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.668 -5.200 -21.140 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.397 -5.587 -19.594 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.486 -7.586 -20.638 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.799 -7.129 -22.184 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.763 -5.502 -20.523 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.107 -6.329 -22.029 1.00 0.00 H new ATOM 0 HE ARG A 21 8.874 -3.722 -21.720 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.983 -6.609 -23.748 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.493 -5.743 -25.208 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.245 -2.616 -23.599 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.077 -3.492 -25.124 1.00 0.00 H new ATOM 336 N SER A 22 5.624 -8.614 -21.929 1.00 0.00 N ATOM 337 CA SER A 22 5.094 -9.204 -23.153 1.00 0.00 C ATOM 338 C SER A 22 3.637 -9.616 -22.971 1.00 0.00 C ATOM 339 O SER A 22 2.852 -9.602 -23.920 1.00 0.00 O ATOM 340 CB SER A 22 5.931 -10.417 -23.564 1.00 0.00 C ATOM 341 OG SER A 22 5.606 -11.551 -22.778 1.00 0.00 O ATOM 0 H SER A 22 6.338 -9.175 -21.465 1.00 0.00 H new ATOM 0 HA SER A 22 5.145 -8.452 -23.941 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.761 -10.640 -24.617 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.991 -10.186 -23.454 1.00 0.00 H new ATOM 0 HG SER A 22 5.473 -11.276 -21.847 1.00 0.00 H new ATOM 347 N HIS A 23 3.281 -9.983 -21.744 1.00 0.00 N ATOM 348 CA HIS A 23 1.917 -10.399 -21.435 1.00 0.00 C ATOM 349 C HIS A 23 1.143 -9.267 -20.767 1.00 0.00 C ATOM 350 O HIS A 23 0.053 -9.479 -20.233 1.00 0.00 O ATOM 351 CB HIS A 23 1.930 -11.629 -20.528 1.00 0.00 C ATOM 352 CG HIS A 23 0.733 -12.513 -20.701 1.00 0.00 C ATOM 353 ND1 HIS A 23 0.625 -13.757 -20.114 1.00 0.00 N ATOM 354 CD2 HIS A 23 -0.412 -12.327 -21.398 1.00 0.00 C ATOM 355 CE1 HIS A 23 -0.534 -14.298 -20.445 1.00 0.00 C ATOM 356 NE2 HIS A 23 -1.182 -13.450 -21.223 1.00 0.00 N ATOM 0 H HIS A 23 3.918 -10.001 -20.947 1.00 0.00 H new ATOM 0 HA HIS A 23 1.419 -10.653 -22.371 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.831 -12.208 -20.728 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.984 -11.304 -19.489 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.672 -11.457 -21.983 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -0.891 -15.268 -20.133 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.105 -13.604 -21.628 1.00 0.00 H new ATOM 364 N ARG A 24 1.712 -8.067 -20.799 1.00 0.00 N ATOM 365 CA ARG A 24 1.076 -6.903 -20.195 1.00 0.00 C ATOM 366 C ARG A 24 0.753 -7.161 -18.726 1.00 0.00 C ATOM 367 O ARG A 24 -0.297 -6.750 -18.230 1.00 0.00 O ATOM 368 CB ARG A 24 -0.203 -6.543 -20.953 1.00 0.00 C ATOM 369 CG ARG A 24 -0.008 -6.429 -22.457 1.00 0.00 C ATOM 370 CD ARG A 24 -1.166 -5.696 -23.115 1.00 0.00 C ATOM 371 NE ARG A 24 -1.101 -4.254 -22.889 1.00 0.00 N ATOM 372 CZ ARG A 24 -0.202 -3.461 -23.461 1.00 0.00 C ATOM 373 NH1 ARG A 24 0.701 -3.966 -24.290 1.00 0.00 N ATOM 374 NH2 ARG A 24 -0.207 -2.159 -23.206 1.00 0.00 N ATOM 0 H ARG A 24 2.613 -7.875 -21.237 1.00 0.00 H new ATOM 0 HA ARG A 24 1.773 -6.068 -20.255 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.961 -7.299 -20.750 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.587 -5.597 -20.572 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.923 -5.902 -22.665 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.086 -7.425 -22.889 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.159 -5.896 -24.187 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.108 -6.082 -22.725 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.783 -3.833 -22.258 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.707 -4.966 -24.490 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.390 -3.354 -24.728 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.901 -1.766 -22.570 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.484 -1.551 -23.646 1.00 0.00 H new ATOM 388 N ILE A 25 1.661 -7.844 -18.037 1.00 0.00 N ATOM 389 CA ILE A 25 1.473 -8.156 -16.626 1.00 0.00 C ATOM 390 C ILE A 25 1.433 -6.886 -15.782 1.00 0.00 C ATOM 391 O ILE A 25 2.098 -5.898 -16.095 1.00 0.00 O ATOM 392 CB ILE A 25 2.591 -9.074 -16.098 1.00 0.00 C ATOM 393 CG1 ILE A 25 2.623 -10.382 -16.891 1.00 0.00 C ATOM 394 CG2 ILE A 25 2.393 -9.352 -14.616 1.00 0.00 C ATOM 395 CD1 ILE A 25 1.426 -11.272 -16.638 1.00 0.00 C ATOM 0 H ILE A 25 2.534 -8.192 -18.433 1.00 0.00 H new ATOM 0 HA ILE A 25 0.518 -8.675 -16.543 1.00 0.00 H new ATOM 0 HB ILE A 25 3.548 -8.568 -16.228 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.675 -10.151 -17.955 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.532 -10.928 -16.638 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.191 -10.002 -14.258 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.415 -8.413 -14.064 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.431 -9.841 -14.463 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.516 -12.181 -17.233 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.384 -11.533 -15.581 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.514 -10.744 -16.918 1.00 0.00 H new ATOM 407 N LYS A 26 0.649 -6.919 -14.710 1.00 0.00 N ATOM 408 CA LYS A 26 0.523 -5.773 -13.818 1.00 0.00 C ATOM 409 C LYS A 26 1.580 -5.820 -12.719 1.00 0.00 C ATOM 410 O LYS A 26 2.498 -6.640 -12.761 1.00 0.00 O ATOM 411 CB LYS A 26 -0.874 -5.736 -13.195 1.00 0.00 C ATOM 412 CG LYS A 26 -1.936 -6.414 -14.043 1.00 0.00 C ATOM 413 CD LYS A 26 -3.336 -6.007 -13.615 1.00 0.00 C ATOM 414 CE LYS A 26 -4.312 -6.054 -14.781 1.00 0.00 C ATOM 415 NZ LYS A 26 -5.661 -5.556 -14.396 1.00 0.00 N ATOM 0 H LYS A 26 0.091 -7.728 -14.438 1.00 0.00 H new ATOM 0 HA LYS A 26 0.676 -4.868 -14.406 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.840 -6.217 -12.218 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.161 -4.698 -13.029 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.786 -6.155 -15.091 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.830 -7.496 -13.963 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.682 -6.670 -12.822 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.312 -4.999 -13.200 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.924 -5.453 -15.603 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.393 -7.078 -15.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.296 -5.604 -15.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.042 -6.145 -13.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.588 -4.570 -14.072 1.00 0.00 H new ATOM 429 N THR A 27 1.443 -4.938 -11.734 1.00 0.00 N ATOM 430 CA THR A 27 2.386 -4.879 -10.624 1.00 0.00 C ATOM 431 C THR A 27 2.237 -6.092 -9.712 1.00 0.00 C ATOM 432 O THR A 27 1.421 -6.978 -9.969 1.00 0.00 O ATOM 433 CB THR A 27 2.194 -3.598 -9.791 1.00 0.00 C ATOM 434 OG1 THR A 27 0.798 -3.308 -9.653 1.00 0.00 O ATOM 435 CG2 THR A 27 2.900 -2.418 -10.442 1.00 0.00 C ATOM 0 H THR A 27 0.688 -4.254 -11.682 1.00 0.00 H new ATOM 0 HA THR A 27 3.386 -4.874 -11.058 1.00 0.00 H new ATOM 0 HB THR A 27 2.630 -3.763 -8.806 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.684 -2.493 -9.121 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.750 -1.525 -9.836 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.966 -2.630 -10.519 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.490 -2.253 -11.438 1.00 0.00 H new ATOM 443 N VAL A 28 3.029 -6.125 -8.645 1.00 0.00 N ATOM 444 CA VAL A 28 2.983 -7.228 -7.693 1.00 0.00 C ATOM 445 C VAL A 28 1.548 -7.552 -7.294 1.00 0.00 C ATOM 446 O VAL A 28 1.229 -8.689 -6.949 1.00 0.00 O ATOM 447 CB VAL A 28 3.797 -6.909 -6.425 1.00 0.00 C ATOM 448 CG1 VAL A 28 3.720 -8.063 -5.436 1.00 0.00 C ATOM 449 CG2 VAL A 28 5.242 -6.599 -6.783 1.00 0.00 C ATOM 0 H VAL A 28 3.710 -5.400 -8.418 1.00 0.00 H new ATOM 0 HA VAL A 28 3.422 -8.093 -8.190 1.00 0.00 H new ATOM 0 HB VAL A 28 3.367 -6.027 -5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.301 -7.819 -4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.681 -8.233 -5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.123 -8.965 -5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.802 -6.376 -5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.686 -7.461 -7.281 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.275 -5.738 -7.450 1.00 0.00 H new ATOM 459 N VAL A 29 0.683 -6.543 -7.346 1.00 0.00 N ATOM 460 CA VAL A 29 -0.720 -6.720 -6.992 1.00 0.00 C ATOM 461 C VAL A 29 -1.349 -7.856 -7.790 1.00 0.00 C ATOM 462 O VAL A 29 -2.071 -8.689 -7.241 1.00 0.00 O ATOM 463 CB VAL A 29 -1.526 -5.430 -7.233 1.00 0.00 C ATOM 464 CG1 VAL A 29 -1.100 -4.343 -6.258 1.00 0.00 C ATOM 465 CG2 VAL A 29 -1.363 -4.961 -8.671 1.00 0.00 C ATOM 0 H VAL A 29 0.930 -5.595 -7.630 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.750 -6.966 -5.931 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.581 -5.645 -7.062 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.681 -3.439 -6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.273 -4.682 -5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.040 -4.128 -6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.939 -4.048 -8.824 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.310 -4.763 -8.872 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.723 -5.735 -9.349 1.00 0.00 H new ATOM 475 N ASP A 30 -1.070 -7.885 -9.089 1.00 0.00 N ATOM 476 CA ASP A 30 -1.608 -8.920 -9.964 1.00 0.00 C ATOM 477 C ASP A 30 -0.943 -10.265 -9.686 1.00 0.00 C ATOM 478 O ASP A 30 -1.598 -11.308 -9.701 1.00 0.00 O ATOM 479 CB ASP A 30 -1.409 -8.532 -11.430 1.00 0.00 C ATOM 480 CG ASP A 30 -1.720 -9.674 -12.378 1.00 0.00 C ATOM 481 OD1 ASP A 30 -2.896 -9.809 -12.778 1.00 0.00 O ATOM 482 OD2 ASP A 30 -0.788 -10.431 -12.720 1.00 0.00 O ATOM 0 H ASP A 30 -0.474 -7.203 -9.559 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.675 -9.014 -9.763 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.048 -7.682 -11.668 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.379 -8.209 -11.581 1.00 0.00 H new ATOM 487 N LEU A 31 0.361 -10.234 -9.433 1.00 0.00 N ATOM 488 CA LEU A 31 1.115 -11.451 -9.153 1.00 0.00 C ATOM 489 C LEU A 31 0.471 -12.242 -8.019 1.00 0.00 C ATOM 490 O LEU A 31 0.344 -13.464 -8.094 1.00 0.00 O ATOM 491 CB LEU A 31 2.561 -11.106 -8.792 1.00 0.00 C ATOM 492 CG LEU A 31 3.573 -12.246 -8.915 1.00 0.00 C ATOM 493 CD1 LEU A 31 3.585 -12.799 -10.332 1.00 0.00 C ATOM 494 CD2 LEU A 31 4.962 -11.771 -8.515 1.00 0.00 C ATOM 0 H LEU A 31 0.918 -9.380 -9.416 1.00 0.00 H new ATOM 0 HA LEU A 31 1.108 -12.068 -10.051 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.888 -10.286 -9.431 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.581 -10.738 -7.766 1.00 0.00 H new ATOM 0 HG LEU A 31 3.274 -13.046 -8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.311 -13.609 -10.400 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.594 -13.177 -10.583 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.858 -12.007 -11.029 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.669 -12.595 -8.609 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.269 -10.954 -9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.944 -11.424 -7.482 1.00 0.00 H new ATOM 506 N VAL A 32 0.063 -11.536 -6.969 1.00 0.00 N ATOM 507 CA VAL A 32 -0.572 -12.171 -5.820 1.00 0.00 C ATOM 508 C VAL A 32 -1.771 -13.009 -6.249 1.00 0.00 C ATOM 509 O VAL A 32 -1.990 -14.106 -5.735 1.00 0.00 O ATOM 510 CB VAL A 32 -1.033 -11.127 -4.785 1.00 0.00 C ATOM 511 CG1 VAL A 32 -1.743 -11.805 -3.623 1.00 0.00 C ATOM 512 CG2 VAL A 32 0.151 -10.308 -4.293 1.00 0.00 C ATOM 0 H VAL A 32 0.161 -10.524 -6.890 1.00 0.00 H new ATOM 0 HA VAL A 32 0.176 -12.819 -5.363 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.739 -10.450 -5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.061 -11.052 -2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.615 -12.344 -3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.062 -12.505 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.192 -9.575 -3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.883 -10.969 -3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.612 -9.792 -5.135 1.00 0.00 H new ATOM 522 N SER A 33 -2.545 -12.485 -7.194 1.00 0.00 N ATOM 523 CA SER A 33 -3.725 -13.184 -7.690 1.00 0.00 C ATOM 524 C SER A 33 -3.374 -14.057 -8.892 1.00 0.00 C ATOM 525 O SER A 33 -4.216 -14.793 -9.404 1.00 0.00 O ATOM 526 CB SER A 33 -4.813 -12.180 -8.075 1.00 0.00 C ATOM 527 OG SER A 33 -5.795 -12.784 -8.900 1.00 0.00 O ATOM 0 H SER A 33 -2.376 -11.579 -7.631 1.00 0.00 H new ATOM 0 HA SER A 33 -4.099 -13.827 -6.893 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.283 -11.785 -7.174 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.364 -11.335 -8.597 1.00 0.00 H new ATOM 0 HG SER A 33 -5.598 -13.739 -8.998 1.00 0.00 H new ATOM 533 N ALA A 34 -2.124 -13.968 -9.335 1.00 0.00 N ATOM 534 CA ALA A 34 -1.660 -14.750 -10.474 1.00 0.00 C ATOM 535 C ALA A 34 -1.198 -16.136 -10.037 1.00 0.00 C ATOM 536 O ALA A 34 -1.008 -16.391 -8.847 1.00 0.00 O ATOM 537 CB ALA A 34 -0.536 -14.019 -11.193 1.00 0.00 C ATOM 0 H ALA A 34 -1.415 -13.362 -8.922 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.496 -14.875 -11.162 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.199 -14.614 -12.042 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.898 -13.054 -11.548 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.296 -13.864 -10.505 1.00 0.00 H new ATOM 543 N ASP A 35 -1.020 -17.028 -11.005 1.00 0.00 N ATOM 544 CA ASP A 35 -0.580 -18.389 -10.720 1.00 0.00 C ATOM 545 C ASP A 35 0.923 -18.430 -10.460 1.00 0.00 C ATOM 546 O ASP A 35 1.684 -18.990 -11.250 1.00 0.00 O ATOM 547 CB ASP A 35 -0.936 -19.317 -11.882 1.00 0.00 C ATOM 548 CG ASP A 35 -2.431 -19.400 -12.120 1.00 0.00 C ATOM 549 OD1 ASP A 35 -3.182 -19.520 -11.131 1.00 0.00 O ATOM 550 OD2 ASP A 35 -2.849 -19.347 -13.296 1.00 0.00 O ATOM 0 H ASP A 35 -1.174 -16.833 -11.994 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.095 -18.731 -9.822 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.446 -18.963 -12.789 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.548 -20.315 -11.678 1.00 0.00 H new ATOM 555 N LEU A 36 1.343 -17.834 -9.350 1.00 0.00 N ATOM 556 CA LEU A 36 2.755 -17.802 -8.987 1.00 0.00 C ATOM 557 C LEU A 36 3.333 -19.212 -8.921 1.00 0.00 C ATOM 558 O LEU A 36 4.516 -19.421 -9.186 1.00 0.00 O ATOM 559 CB LEU A 36 2.940 -17.100 -7.640 1.00 0.00 C ATOM 560 CG LEU A 36 4.285 -16.407 -7.423 1.00 0.00 C ATOM 561 CD1 LEU A 36 5.404 -17.432 -7.326 1.00 0.00 C ATOM 562 CD2 LEU A 36 4.562 -15.417 -8.546 1.00 0.00 C ATOM 0 H LEU A 36 0.726 -17.366 -8.686 1.00 0.00 H new ATOM 0 HA LEU A 36 3.290 -17.246 -9.757 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.150 -16.358 -7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.801 -17.836 -6.848 1.00 0.00 H new ATOM 0 HG LEU A 36 4.241 -15.857 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.354 -16.920 -7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.212 -18.102 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.449 -18.010 -8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.524 -14.933 -8.375 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.586 -15.945 -9.499 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.775 -14.663 -8.569 1.00 0.00 H new ATOM 574 N GLU A 37 2.488 -20.176 -8.569 1.00 0.00 N ATOM 575 CA GLU A 37 2.916 -21.567 -8.471 1.00 0.00 C ATOM 576 C GLU A 37 3.223 -22.141 -9.851 1.00 0.00 C ATOM 577 O GLU A 37 4.117 -22.972 -10.003 1.00 0.00 O ATOM 578 CB GLU A 37 1.837 -22.408 -7.785 1.00 0.00 C ATOM 579 CG GLU A 37 0.513 -22.425 -8.531 1.00 0.00 C ATOM 580 CD GLU A 37 0.450 -23.516 -9.583 1.00 0.00 C ATOM 581 OE1 GLU A 37 1.080 -24.575 -9.379 1.00 0.00 O ATOM 582 OE2 GLU A 37 -0.230 -23.310 -10.610 1.00 0.00 O ATOM 0 H GLU A 37 1.505 -20.020 -8.347 1.00 0.00 H new ATOM 0 HA GLU A 37 3.827 -21.599 -7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.198 -23.431 -7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.673 -22.022 -6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.300 -22.565 -7.818 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.356 -21.457 -9.007 1.00 0.00 H new ATOM 589 N GLU A 38 2.474 -21.690 -10.853 1.00 0.00 N ATOM 590 CA GLU A 38 2.665 -22.160 -12.220 1.00 0.00 C ATOM 591 C GLU A 38 3.910 -21.533 -12.841 1.00 0.00 C ATOM 592 O GLU A 38 4.742 -22.227 -13.425 1.00 0.00 O ATOM 593 CB GLU A 38 1.436 -21.833 -13.071 1.00 0.00 C ATOM 594 CG GLU A 38 1.331 -22.671 -14.335 1.00 0.00 C ATOM 595 CD GLU A 38 0.214 -22.209 -15.250 1.00 0.00 C ATOM 596 OE1 GLU A 38 0.417 -21.215 -15.978 1.00 0.00 O ATOM 597 OE2 GLU A 38 -0.863 -22.841 -15.238 1.00 0.00 O ATOM 0 H GLU A 38 1.730 -21.001 -10.744 1.00 0.00 H new ATOM 0 HA GLU A 38 2.800 -23.241 -12.191 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.539 -21.982 -12.471 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.464 -20.778 -13.345 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.278 -22.629 -14.874 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.165 -23.713 -14.063 1.00 0.00 H new ATOM 604 N VAL A 39 4.029 -20.216 -12.712 1.00 0.00 N ATOM 605 CA VAL A 39 5.171 -19.494 -13.260 1.00 0.00 C ATOM 606 C VAL A 39 6.463 -19.897 -12.559 1.00 0.00 C ATOM 607 O VAL A 39 7.511 -20.025 -13.192 1.00 0.00 O ATOM 608 CB VAL A 39 4.985 -17.970 -13.134 1.00 0.00 C ATOM 609 CG1 VAL A 39 4.977 -17.553 -11.671 1.00 0.00 C ATOM 610 CG2 VAL A 39 6.075 -17.236 -13.900 1.00 0.00 C ATOM 0 H VAL A 39 3.348 -19.627 -12.233 1.00 0.00 H new ATOM 0 HA VAL A 39 5.236 -19.758 -14.316 1.00 0.00 H new ATOM 0 HB VAL A 39 4.023 -17.701 -13.569 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.845 -16.473 -11.601 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.158 -18.053 -11.155 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.923 -17.833 -11.208 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.928 -16.160 -13.800 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.050 -17.508 -13.496 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.029 -17.512 -14.953 1.00 0.00 H new ATOM 620 N ALA A 40 6.382 -20.097 -11.248 1.00 0.00 N ATOM 621 CA ALA A 40 7.544 -20.488 -10.461 1.00 0.00 C ATOM 622 C ALA A 40 8.104 -21.825 -10.936 1.00 0.00 C ATOM 623 O ALA A 40 9.316 -22.037 -10.931 1.00 0.00 O ATOM 624 CB ALA A 40 7.182 -20.560 -8.985 1.00 0.00 C ATOM 0 H ALA A 40 5.523 -19.994 -10.708 1.00 0.00 H new ATOM 0 HA ALA A 40 8.316 -19.731 -10.598 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.060 -20.853 -8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.836 -19.583 -8.647 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.391 -21.295 -8.840 1.00 0.00 H new ATOM 630 N GLN A 41 7.213 -22.722 -11.345 1.00 0.00 N ATOM 631 CA GLN A 41 7.619 -24.039 -11.822 1.00 0.00 C ATOM 632 C GLN A 41 8.381 -23.930 -13.138 1.00 0.00 C ATOM 633 O GLN A 41 9.429 -24.552 -13.315 1.00 0.00 O ATOM 634 CB GLN A 41 6.396 -24.940 -11.999 1.00 0.00 C ATOM 635 CG GLN A 41 5.942 -25.610 -10.712 1.00 0.00 C ATOM 636 CD GLN A 41 6.967 -26.584 -10.167 1.00 0.00 C ATOM 637 OE1 GLN A 41 7.430 -26.447 -9.034 1.00 0.00 O ATOM 638 NE2 GLN A 41 7.328 -27.576 -10.973 1.00 0.00 N ATOM 0 H GLN A 41 6.206 -22.561 -11.356 1.00 0.00 H new ATOM 0 HA GLN A 41 8.281 -24.480 -11.076 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.574 -24.347 -12.400 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.625 -25.708 -12.738 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.738 -24.846 -9.962 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.005 -26.138 -10.893 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.919 -27.651 -11.904 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.015 -28.263 -10.661 1.00 0.00 H new ATOM 647 N LYS A 42 7.847 -23.137 -14.061 1.00 0.00 N ATOM 648 CA LYS A 42 8.476 -22.944 -15.362 1.00 0.00 C ATOM 649 C LYS A 42 9.775 -22.156 -15.228 1.00 0.00 C ATOM 650 O LYS A 42 10.798 -22.526 -15.804 1.00 0.00 O ATOM 651 CB LYS A 42 7.521 -22.216 -16.310 1.00 0.00 C ATOM 652 CG LYS A 42 6.252 -22.995 -16.612 1.00 0.00 C ATOM 653 CD LYS A 42 5.323 -22.214 -17.527 1.00 0.00 C ATOM 654 CE LYS A 42 5.831 -22.205 -18.961 1.00 0.00 C ATOM 655 NZ LYS A 42 4.766 -21.811 -19.924 1.00 0.00 N ATOM 0 H LYS A 42 6.979 -22.617 -13.932 1.00 0.00 H new ATOM 0 HA LYS A 42 8.709 -23.926 -15.774 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.252 -21.254 -15.873 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.040 -22.007 -17.245 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.510 -23.945 -17.079 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.736 -23.227 -15.680 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.326 -22.653 -17.496 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.231 -21.190 -17.166 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.670 -21.514 -19.045 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.206 -23.195 -19.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.152 -21.817 -20.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.976 -22.485 -19.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.425 -20.856 -19.693 1.00 0.00 H new ATOM 669 N CYS A 43 9.726 -21.071 -14.463 1.00 0.00 N ATOM 670 CA CYS A 43 10.900 -20.231 -14.253 1.00 0.00 C ATOM 671 C CYS A 43 11.950 -20.962 -13.422 1.00 0.00 C ATOM 672 O CYS A 43 13.144 -20.684 -13.528 1.00 0.00 O ATOM 673 CB CYS A 43 10.502 -18.927 -13.560 1.00 0.00 C ATOM 674 SG CYS A 43 9.480 -17.834 -14.575 1.00 0.00 S ATOM 0 H CYS A 43 8.887 -20.752 -13.978 1.00 0.00 H new ATOM 0 HA CYS A 43 11.330 -20.000 -15.228 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.961 -19.165 -12.644 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.406 -18.393 -13.267 1.00 0.00 H new ATOM 0 HG CYS A 43 9.848 -16.601 -14.390 1.00 0.00 H new ATOM 680 N GLY A 44 11.496 -21.898 -12.595 1.00 0.00 N ATOM 681 CA GLY A 44 12.408 -22.654 -11.757 1.00 0.00 C ATOM 682 C GLY A 44 12.697 -21.959 -10.440 1.00 0.00 C ATOM 683 O GLY A 44 13.770 -22.131 -9.861 1.00 0.00 O ATOM 0 H GLY A 44 10.512 -22.147 -12.490 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.984 -23.638 -11.559 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.343 -22.812 -12.294 1.00 0.00 H new ATOM 687 N LEU A 45 11.738 -21.171 -9.967 1.00 0.00 N ATOM 688 CA LEU A 45 11.895 -20.446 -8.711 1.00 0.00 C ATOM 689 C LEU A 45 11.297 -21.233 -7.549 1.00 0.00 C ATOM 690 O LEU A 45 10.654 -22.263 -7.750 1.00 0.00 O ATOM 691 CB LEU A 45 11.229 -19.072 -8.806 1.00 0.00 C ATOM 692 CG LEU A 45 11.507 -18.279 -10.084 1.00 0.00 C ATOM 693 CD1 LEU A 45 10.497 -17.153 -10.244 1.00 0.00 C ATOM 694 CD2 LEU A 45 12.925 -17.728 -10.072 1.00 0.00 C ATOM 0 H LEU A 45 10.844 -21.018 -10.434 1.00 0.00 H new ATOM 0 HA LEU A 45 12.961 -20.315 -8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.151 -19.205 -8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.552 -18.474 -7.954 1.00 0.00 H new ATOM 0 HG LEU A 45 11.407 -18.952 -10.935 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.711 -16.600 -11.159 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.492 -17.571 -10.299 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.564 -16.480 -9.389 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.105 -17.167 -10.989 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.052 -17.070 -9.213 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.635 -18.552 -10.006 1.00 0.00 H new ATOM 706 N SER A 46 11.512 -20.740 -6.334 1.00 0.00 N ATOM 707 CA SER A 46 10.996 -21.398 -5.139 1.00 0.00 C ATOM 708 C SER A 46 9.733 -20.704 -4.639 1.00 0.00 C ATOM 709 O SER A 46 9.792 -19.604 -4.089 1.00 0.00 O ATOM 710 CB SER A 46 12.057 -21.407 -4.037 1.00 0.00 C ATOM 711 OG SER A 46 13.317 -21.810 -4.546 1.00 0.00 O ATOM 0 H SER A 46 12.040 -19.887 -6.151 1.00 0.00 H new ATOM 0 HA SER A 46 10.745 -22.426 -5.400 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.139 -20.412 -3.599 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.751 -22.083 -3.238 1.00 0.00 H new ATOM 0 HG SER A 46 13.978 -21.806 -3.823 1.00 0.00 H new ATOM 717 N TYR A 47 8.591 -21.355 -4.834 1.00 0.00 N ATOM 718 CA TYR A 47 7.313 -20.800 -4.405 1.00 0.00 C ATOM 719 C TYR A 47 7.273 -20.630 -2.890 1.00 0.00 C ATOM 720 O TYR A 47 6.635 -19.714 -2.372 1.00 0.00 O ATOM 721 CB TYR A 47 6.164 -21.702 -4.859 1.00 0.00 C ATOM 722 CG TYR A 47 4.805 -21.236 -4.387 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.329 -21.583 -3.129 1.00 0.00 C ATOM 724 CD2 TYR A 47 3.998 -20.450 -5.199 1.00 0.00 C ATOM 725 CE1 TYR A 47 3.088 -21.160 -2.693 1.00 0.00 C ATOM 726 CE2 TYR A 47 2.756 -20.021 -4.771 1.00 0.00 C ATOM 727 CZ TYR A 47 2.305 -20.379 -3.518 1.00 0.00 C ATOM 728 OH TYR A 47 1.069 -19.955 -3.088 1.00 0.00 O ATOM 0 H TYR A 47 8.525 -22.267 -5.286 1.00 0.00 H new ATOM 0 HA TYR A 47 7.200 -19.818 -4.865 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.163 -21.754 -5.948 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.340 -22.713 -4.491 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.939 -22.194 -2.481 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.347 -20.169 -6.182 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.733 -21.439 -1.712 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.142 -19.409 -5.414 1.00 0.00 H new ATOM 0 HH TYR A 47 0.647 -19.414 -3.788 1.00 0.00 H new ATOM 738 N LYS A 48 7.960 -21.521 -2.183 1.00 0.00 N ATOM 739 CA LYS A 48 8.007 -21.472 -0.727 1.00 0.00 C ATOM 740 C LYS A 48 8.535 -20.124 -0.245 1.00 0.00 C ATOM 741 O LYS A 48 8.065 -19.585 0.757 1.00 0.00 O ATOM 742 CB LYS A 48 8.889 -22.599 -0.186 1.00 0.00 C ATOM 743 CG LYS A 48 8.197 -23.951 -0.154 1.00 0.00 C ATOM 744 CD LYS A 48 7.174 -24.028 0.967 1.00 0.00 C ATOM 745 CE LYS A 48 6.255 -25.228 0.802 1.00 0.00 C ATOM 746 NZ LYS A 48 5.608 -25.613 2.087 1.00 0.00 N ATOM 0 H LYS A 48 8.493 -22.287 -2.596 1.00 0.00 H new ATOM 0 HA LYS A 48 6.992 -21.601 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.786 -22.674 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.214 -22.343 0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.705 -24.131 -1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.940 -24.738 -0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.688 -24.091 1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.581 -23.114 0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.487 -24.998 0.063 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.826 -26.072 0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.990 -26.435 1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.340 -25.857 2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.042 -24.816 2.443 1.00 0.00 H new ATOM 760 N ALA A 49 9.512 -19.584 -0.966 1.00 0.00 N ATOM 761 CA ALA A 49 10.100 -18.298 -0.613 1.00 0.00 C ATOM 762 C ALA A 49 9.107 -17.162 -0.832 1.00 0.00 C ATOM 763 O ALA A 49 9.117 -16.166 -0.107 1.00 0.00 O ATOM 764 CB ALA A 49 11.367 -18.057 -1.421 1.00 0.00 C ATOM 0 H ALA A 49 9.913 -20.017 -1.798 1.00 0.00 H new ATOM 0 HA ALA A 49 10.357 -18.322 0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.795 -17.093 -1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.088 -18.847 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.126 -18.058 -2.484 1.00 0.00 H new ATOM 770 N LEU A 50 8.251 -17.316 -1.836 1.00 0.00 N ATOM 771 CA LEU A 50 7.250 -16.302 -2.151 1.00 0.00 C ATOM 772 C LEU A 50 6.126 -16.308 -1.121 1.00 0.00 C ATOM 773 O LEU A 50 5.791 -15.272 -0.545 1.00 0.00 O ATOM 774 CB LEU A 50 6.678 -16.539 -3.549 1.00 0.00 C ATOM 775 CG LEU A 50 6.187 -15.297 -4.293 1.00 0.00 C ATOM 776 CD1 LEU A 50 5.031 -14.650 -3.547 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.325 -14.304 -4.482 1.00 0.00 C ATOM 0 H LEU A 50 8.230 -18.133 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 50 7.736 -15.327 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.444 -17.022 -4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.848 -17.240 -3.466 1.00 0.00 H new ATOM 0 HG LEU A 50 5.831 -15.603 -5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.695 -13.768 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.208 -15.360 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.360 -14.357 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.957 -13.426 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.711 -14.003 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.123 -14.770 -5.060 1.00 0.00 H new ATOM 789 N VAL A 51 5.547 -17.482 -0.891 1.00 0.00 N ATOM 790 CA VAL A 51 4.461 -17.625 0.072 1.00 0.00 C ATOM 791 C VAL A 51 4.895 -17.165 1.460 1.00 0.00 C ATOM 792 O VAL A 51 4.117 -16.556 2.194 1.00 0.00 O ATOM 793 CB VAL A 51 3.973 -19.083 0.156 1.00 0.00 C ATOM 794 CG1 VAL A 51 5.127 -20.015 0.492 1.00 0.00 C ATOM 795 CG2 VAL A 51 2.857 -19.212 1.182 1.00 0.00 C ATOM 0 H VAL A 51 5.812 -18.349 -1.359 1.00 0.00 H new ATOM 0 HA VAL A 51 3.642 -16.996 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 51 3.577 -19.372 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.762 -21.041 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.891 -19.942 -0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.556 -19.731 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.524 -20.249 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.225 -18.905 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.021 -18.575 0.893 1.00 0.00 H new ATOM 805 N ALA A 52 6.142 -17.459 1.812 1.00 0.00 N ATOM 806 CA ALA A 52 6.680 -17.074 3.111 1.00 0.00 C ATOM 807 C ALA A 52 6.612 -15.563 3.307 1.00 0.00 C ATOM 808 O ALA A 52 6.203 -15.082 4.364 1.00 0.00 O ATOM 809 CB ALA A 52 8.114 -17.562 3.254 1.00 0.00 C ATOM 0 H ALA A 52 6.799 -17.963 1.216 1.00 0.00 H new ATOM 0 HA ALA A 52 6.069 -17.543 3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.503 -17.267 4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.139 -18.648 3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.729 -17.120 2.470 1.00 0.00 H new ATOM 815 N LEU A 53 7.014 -14.820 2.282 1.00 0.00 N ATOM 816 CA LEU A 53 7.000 -13.362 2.342 1.00 0.00 C ATOM 817 C LEU A 53 5.570 -12.831 2.334 1.00 0.00 C ATOM 818 O LEU A 53 5.245 -11.884 3.050 1.00 0.00 O ATOM 819 CB LEU A 53 7.780 -12.776 1.164 1.00 0.00 C ATOM 820 CG LEU A 53 9.291 -13.011 1.176 1.00 0.00 C ATOM 821 CD1 LEU A 53 9.902 -12.627 -0.162 1.00 0.00 C ATOM 822 CD2 LEU A 53 9.943 -12.229 2.307 1.00 0.00 C ATOM 0 H LEU A 53 7.354 -15.203 1.400 1.00 0.00 H new ATOM 0 HA LEU A 53 7.477 -13.056 3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.375 -13.194 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.600 -11.701 1.133 1.00 0.00 H new ATOM 0 HG LEU A 53 9.473 -14.073 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.978 -12.801 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.457 -13.232 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.710 -11.572 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.018 -12.408 2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.752 -11.165 2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.527 -12.553 3.261 1.00 0.00 H new ATOM 834 N ARG A 54 4.719 -13.449 1.521 1.00 0.00 N ATOM 835 CA ARG A 54 3.324 -13.040 1.421 1.00 0.00 C ATOM 836 C ARG A 54 2.624 -13.156 2.773 1.00 0.00 C ATOM 837 O ARG A 54 1.929 -12.237 3.204 1.00 0.00 O ATOM 838 CB ARG A 54 2.593 -13.892 0.382 1.00 0.00 C ATOM 839 CG ARG A 54 2.645 -13.316 -1.024 1.00 0.00 C ATOM 840 CD ARG A 54 1.476 -12.380 -1.286 1.00 0.00 C ATOM 841 NE ARG A 54 1.797 -10.995 -0.952 1.00 0.00 N ATOM 842 CZ ARG A 54 2.526 -10.202 -1.729 1.00 0.00 C ATOM 843 NH1 ARG A 54 3.005 -10.654 -2.880 1.00 0.00 N ATOM 844 NH2 ARG A 54 2.775 -8.953 -1.356 1.00 0.00 N ATOM 0 H ARG A 54 4.972 -14.235 0.922 1.00 0.00 H new ATOM 0 HA ARG A 54 3.300 -11.996 1.107 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.029 -14.891 0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.551 -14.001 0.682 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.582 -12.777 -1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.633 -14.128 -1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.190 -12.443 -2.336 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.615 -12.703 -0.701 1.00 0.00 H new ATOM 0 HE ARG A 54 1.442 -10.616 -0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.814 -11.613 -3.171 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.565 -10.043 -3.475 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.406 -8.602 -0.472 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.335 -8.344 -1.953 1.00 0.00 H new ATOM 858 N ARG A 55 2.814 -14.292 3.435 1.00 0.00 N ATOM 859 CA ARG A 55 2.200 -14.530 4.736 1.00 0.00 C ATOM 860 C ARG A 55 2.619 -13.458 5.738 1.00 0.00 C ATOM 861 O ARG A 55 1.814 -13.007 6.554 1.00 0.00 O ATOM 862 CB ARG A 55 2.587 -15.913 5.262 1.00 0.00 C ATOM 863 CG ARG A 55 1.978 -16.244 6.614 1.00 0.00 C ATOM 864 CD ARG A 55 1.894 -17.746 6.835 1.00 0.00 C ATOM 865 NE ARG A 55 1.288 -18.076 8.123 1.00 0.00 N ATOM 866 CZ ARG A 55 -0.013 -17.973 8.371 1.00 0.00 C ATOM 867 NH1 ARG A 55 -0.840 -17.551 7.425 1.00 0.00 N ATOM 868 NH2 ARG A 55 -0.488 -18.293 9.568 1.00 0.00 N ATOM 0 H ARG A 55 3.388 -15.062 3.092 1.00 0.00 H new ATOM 0 HA ARG A 55 1.118 -14.486 4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.276 -16.667 4.539 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.673 -15.972 5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.577 -15.792 7.404 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.981 -15.809 6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.311 -18.198 6.033 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.894 -18.177 6.784 1.00 0.00 H new ATOM 0 HE ARG A 55 1.897 -18.403 8.873 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.478 -17.304 6.504 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.838 -17.473 7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.146 -18.618 10.298 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.487 -18.214 9.758 1.00 0.00 H new ATOM 882 N VAL A 56 3.884 -13.055 5.672 1.00 0.00 N ATOM 883 CA VAL A 56 4.410 -12.036 6.573 1.00 0.00 C ATOM 884 C VAL A 56 3.804 -10.670 6.271 1.00 0.00 C ATOM 885 O VAL A 56 3.499 -9.899 7.182 1.00 0.00 O ATOM 886 CB VAL A 56 5.944 -11.938 6.474 1.00 0.00 C ATOM 887 CG1 VAL A 56 6.470 -10.852 7.401 1.00 0.00 C ATOM 888 CG2 VAL A 56 6.585 -13.280 6.794 1.00 0.00 C ATOM 0 H VAL A 56 4.564 -13.419 5.004 1.00 0.00 H new ATOM 0 HA VAL A 56 4.137 -12.336 7.585 1.00 0.00 H new ATOM 0 HB VAL A 56 6.209 -11.669 5.451 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.555 -10.797 7.318 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.036 -9.892 7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.196 -11.088 8.429 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.669 -13.193 6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.314 -13.580 7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.232 -14.030 6.086 1.00 0.00 H new ATOM 898 N LEU A 57 3.630 -10.376 4.987 1.00 0.00 N ATOM 899 CA LEU A 57 3.059 -9.102 4.564 1.00 0.00 C ATOM 900 C LEU A 57 1.613 -8.972 5.030 1.00 0.00 C ATOM 901 O LEU A 57 1.216 -7.943 5.579 1.00 0.00 O ATOM 902 CB LEU A 57 3.131 -8.969 3.042 1.00 0.00 C ATOM 903 CG LEU A 57 4.442 -8.422 2.476 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.714 -9.007 1.099 1.00 0.00 C ATOM 905 CD2 LEU A 57 4.403 -6.902 2.414 1.00 0.00 C ATOM 0 H LEU A 57 3.876 -11.003 4.221 1.00 0.00 H new ATOM 0 HA LEU A 57 3.641 -8.301 5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.951 -9.950 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.319 -8.319 2.716 1.00 0.00 H new ATOM 0 HG LEU A 57 5.254 -8.718 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.651 -8.606 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.786 -10.092 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.900 -8.742 0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.344 -6.530 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.581 -6.585 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.256 -6.501 3.417 1.00 0.00 H new ATOM 917 N LEU A 58 0.829 -10.022 4.810 1.00 0.00 N ATOM 918 CA LEU A 58 -0.574 -10.027 5.210 1.00 0.00 C ATOM 919 C LEU A 58 -0.708 -10.134 6.726 1.00 0.00 C ATOM 920 O LEU A 58 -1.629 -9.573 7.318 1.00 0.00 O ATOM 921 CB LEU A 58 -1.312 -11.186 4.538 1.00 0.00 C ATOM 922 CG LEU A 58 -0.721 -12.579 4.764 1.00 0.00 C ATOM 923 CD1 LEU A 58 -1.257 -13.183 6.052 1.00 0.00 C ATOM 924 CD2 LEU A 58 -1.025 -13.485 3.580 1.00 0.00 C ATOM 0 H LEU A 58 1.141 -10.881 4.357 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.021 -9.086 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.343 -11.189 4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.344 -10.997 3.465 1.00 0.00 H new ATOM 0 HG LEU A 58 0.361 -12.484 4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.826 -14.174 6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.988 -12.544 6.893 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.342 -13.265 5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.597 -14.472 3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.104 -13.574 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.591 -13.059 2.675 1.00 0.00 H new ATOM 936 N ALA A 59 0.219 -10.855 7.347 1.00 0.00 N ATOM 937 CA ALA A 59 0.207 -11.032 8.794 1.00 0.00 C ATOM 938 C ALA A 59 0.299 -9.689 9.512 1.00 0.00 C ATOM 939 O ALA A 59 -0.411 -9.448 10.488 1.00 0.00 O ATOM 940 CB ALA A 59 1.348 -11.942 9.225 1.00 0.00 C ATOM 0 H ALA A 59 0.988 -11.326 6.871 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.739 -11.499 9.070 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.326 -12.065 10.308 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.237 -12.915 8.747 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.299 -11.498 8.929 1.00 0.00 H new ATOM 946 N GLN A 60 1.177 -8.821 9.021 1.00 0.00 N ATOM 947 CA GLN A 60 1.361 -7.503 9.618 1.00 0.00 C ATOM 948 C GLN A 60 0.064 -6.701 9.579 1.00 0.00 C ATOM 949 O GLN A 60 -0.313 -6.064 10.562 1.00 0.00 O ATOM 950 CB GLN A 60 2.468 -6.740 8.888 1.00 0.00 C ATOM 951 CG GLN A 60 3.863 -7.276 9.167 1.00 0.00 C ATOM 952 CD GLN A 60 4.934 -6.212 9.037 1.00 0.00 C ATOM 953 OE1 GLN A 60 5.581 -5.843 10.018 1.00 0.00 O ATOM 954 NE2 GLN A 60 5.128 -5.712 7.822 1.00 0.00 N ATOM 0 H GLN A 60 1.771 -9.006 8.213 1.00 0.00 H new ATOM 0 HA GLN A 60 1.650 -7.641 10.660 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.280 -6.782 7.815 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.426 -5.690 9.178 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.893 -7.695 10.173 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.080 -8.091 8.476 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.569 -6.047 7.037 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.836 -4.993 7.673 1.00 0.00 H new ATOM 963 N PHE A 61 -0.614 -6.738 8.437 1.00 0.00 N ATOM 964 CA PHE A 61 -1.869 -6.014 8.270 1.00 0.00 C ATOM 965 C PHE A 61 -2.980 -6.651 9.100 1.00 0.00 C ATOM 966 O PHE A 61 -3.878 -5.964 9.586 1.00 0.00 O ATOM 967 CB PHE A 61 -2.273 -5.985 6.795 1.00 0.00 C ATOM 968 CG PHE A 61 -1.673 -4.839 6.032 1.00 0.00 C ATOM 969 CD1 PHE A 61 -0.410 -4.946 5.472 1.00 0.00 C ATOM 970 CD2 PHE A 61 -2.372 -3.653 5.874 1.00 0.00 C ATOM 971 CE1 PHE A 61 0.144 -3.893 4.769 1.00 0.00 C ATOM 972 CE2 PHE A 61 -1.823 -2.597 5.172 1.00 0.00 C ATOM 973 CZ PHE A 61 -0.563 -2.717 4.620 1.00 0.00 C ATOM 0 H PHE A 61 -0.316 -7.261 7.614 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.719 -4.992 8.619 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.971 -6.921 6.325 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.359 -5.929 6.725 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.148 -5.863 5.586 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.357 -3.553 6.305 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.129 -3.990 4.337 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.379 -1.678 5.055 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.131 -1.892 4.073 1.00 0.00 H new