USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=8 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 37:sc= 0.202 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.195 K(o=-0.2,f=-2.1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.097) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -112:sc= -3.76! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 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 6.187 -3.744 -9.746 1.00 0.00 N ATOM 42 CA LEU A 4 7.386 -4.570 -9.648 1.00 0.00 C ATOM 43 C LEU A 4 8.514 -3.996 -10.498 1.00 0.00 C ATOM 44 O LEU A 4 8.269 -3.326 -11.501 1.00 0.00 O ATOM 45 CB LEU A 4 7.079 -6.003 -10.087 1.00 0.00 C ATOM 46 CG LEU A 4 5.911 -6.688 -9.376 1.00 0.00 C ATOM 47 CD1 LEU A 4 5.304 -7.764 -10.262 1.00 0.00 C ATOM 48 CD2 LEU A 4 6.367 -7.280 -8.051 1.00 0.00 C ATOM 0 HA LEU A 4 7.709 -4.577 -8.607 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.874 -5.997 -11.157 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.974 -6.607 -9.937 1.00 0.00 H new ATOM 0 HG LEU A 4 5.145 -5.940 -9.172 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.475 -8.240 -9.739 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.940 -7.313 -11.185 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.062 -8.511 -10.498 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.523 -7.763 -7.559 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.151 -8.015 -8.232 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.754 -6.486 -7.412 1.00 0.00 H new ATOM 60 N ARG A 5 9.751 -4.265 -10.091 1.00 0.00 N ATOM 61 CA ARG A 5 10.917 -3.776 -10.817 1.00 0.00 C ATOM 62 C ARG A 5 12.202 -4.360 -10.237 1.00 0.00 C ATOM 63 O ARG A 5 12.185 -5.005 -9.188 1.00 0.00 O ATOM 64 CB ARG A 5 10.971 -2.248 -10.767 1.00 0.00 C ATOM 65 CG ARG A 5 10.947 -1.683 -9.356 1.00 0.00 C ATOM 66 CD ARG A 5 11.495 -0.265 -9.314 1.00 0.00 C ATOM 67 NE ARG A 5 10.859 0.597 -10.307 1.00 0.00 N ATOM 68 CZ ARG A 5 11.214 1.859 -10.519 1.00 0.00 C ATOM 69 NH1 ARG A 5 12.194 2.404 -9.811 1.00 0.00 N ATOM 70 NH2 ARG A 5 10.588 2.580 -11.441 1.00 0.00 N ATOM 0 H ARG A 5 9.971 -4.819 -9.263 1.00 0.00 H new ATOM 0 HA ARG A 5 10.828 -4.096 -11.855 1.00 0.00 H new ATOM 0 HB2 ARG A 5 11.876 -1.908 -11.270 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.126 -1.845 -11.325 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.925 -1.691 -8.977 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.536 -2.321 -8.697 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.342 0.154 -8.319 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.571 -0.287 -9.489 1.00 0.00 H new ATOM 0 HE ARG A 5 10.101 0.208 -10.868 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.677 1.854 -9.101 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.464 3.374 -9.976 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.833 2.165 -11.988 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.861 3.549 -11.603 1.00 0.00 H new ATOM 84 N VAL A 6 13.315 -4.130 -10.927 1.00 0.00 N ATOM 85 CA VAL A 6 14.609 -4.632 -10.481 1.00 0.00 C ATOM 86 C VAL A 6 15.270 -3.661 -9.509 1.00 0.00 C ATOM 87 O VAL A 6 15.474 -2.490 -9.827 1.00 0.00 O ATOM 88 CB VAL A 6 15.556 -4.876 -11.670 1.00 0.00 C ATOM 89 CG1 VAL A 6 15.713 -3.609 -12.497 1.00 0.00 C ATOM 90 CG2 VAL A 6 16.908 -5.374 -11.180 1.00 0.00 C ATOM 0 H VAL A 6 13.346 -3.599 -11.797 1.00 0.00 H new ATOM 0 HA VAL A 6 14.424 -5.579 -9.974 1.00 0.00 H new ATOM 0 HB VAL A 6 15.120 -5.645 -12.308 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.386 -3.801 -13.333 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.740 -3.300 -12.878 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.126 -2.816 -11.873 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.565 -5.541 -12.033 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.353 -4.629 -10.520 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.776 -6.309 -10.635 1.00 0.00 H new ATOM 100 N GLY A 7 15.604 -4.156 -8.321 1.00 0.00 N ATOM 101 CA GLY A 7 16.239 -3.319 -7.320 1.00 0.00 C ATOM 102 C GLY A 7 15.629 -3.497 -5.944 1.00 0.00 C ATOM 103 O GLY A 7 16.225 -3.109 -4.938 1.00 0.00 O ATOM 0 H GLY A 7 15.446 -5.122 -8.034 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.302 -3.554 -7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.156 -2.274 -7.619 1.00 0.00 H new ATOM 107 N LEU A 8 14.438 -4.083 -5.897 1.00 0.00 N ATOM 108 CA LEU A 8 13.746 -4.310 -4.633 1.00 0.00 C ATOM 109 C LEU A 8 14.507 -5.309 -3.768 1.00 0.00 C ATOM 110 O LEU A 8 14.622 -5.133 -2.554 1.00 0.00 O ATOM 111 CB LEU A 8 12.326 -4.818 -4.891 1.00 0.00 C ATOM 112 CG LEU A 8 11.572 -4.148 -6.040 1.00 0.00 C ATOM 113 CD1 LEU A 8 10.151 -4.682 -6.129 1.00 0.00 C ATOM 114 CD2 LEU A 8 11.566 -2.636 -5.865 1.00 0.00 C ATOM 0 H LEU A 8 13.931 -4.410 -6.720 1.00 0.00 H new ATOM 0 HA LEU A 8 13.694 -3.361 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.375 -5.888 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.744 -4.690 -3.978 1.00 0.00 H new ATOM 0 HG LEU A 8 12.086 -4.383 -6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.630 -4.194 -6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.177 -5.758 -6.303 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.626 -4.478 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.025 -2.176 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.077 -2.380 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.592 -2.267 -5.853 1.00 0.00 H new ATOM 126 N CYS A 9 15.025 -6.357 -4.400 1.00 0.00 N ATOM 127 CA CYS A 9 15.777 -7.384 -3.687 1.00 0.00 C ATOM 128 C CYS A 9 16.707 -8.133 -4.636 1.00 0.00 C ATOM 129 O CYS A 9 16.533 -8.120 -5.855 1.00 0.00 O ATOM 130 CB CYS A 9 14.821 -8.367 -3.010 1.00 0.00 C ATOM 131 SG CYS A 9 14.481 -7.988 -1.274 1.00 0.00 S ATOM 0 H CYS A 9 14.938 -6.518 -5.404 1.00 0.00 H new ATOM 0 HA CYS A 9 16.383 -6.894 -2.925 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.880 -8.379 -3.559 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.241 -9.370 -3.076 1.00 0.00 H new ATOM 0 HG CYS A 9 14.409 -6.700 -1.117 1.00 0.00 H new ATOM 137 N PRO A 10 17.721 -8.801 -4.066 1.00 0.00 N ATOM 138 CA PRO A 10 18.700 -9.567 -4.842 1.00 0.00 C ATOM 139 C PRO A 10 18.094 -10.821 -5.463 1.00 0.00 C ATOM 140 O PRO A 10 18.583 -11.323 -6.474 1.00 0.00 O ATOM 141 CB PRO A 10 19.760 -9.943 -3.804 1.00 0.00 C ATOM 142 CG PRO A 10 19.036 -9.934 -2.502 1.00 0.00 C ATOM 143 CD PRO A 10 17.989 -8.860 -2.619 1.00 0.00 C ATOM 0 HA PRO A 10 19.092 -8.994 -5.683 1.00 0.00 H new ATOM 0 HB2 PRO A 10 20.188 -10.924 -4.012 1.00 0.00 H new ATOM 0 HB3 PRO A 10 20.584 -9.230 -3.804 1.00 0.00 H new ATOM 0 HG2 PRO A 10 18.580 -10.904 -2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 10 19.718 -9.726 -1.677 1.00 0.00 H new ATOM 0 HD2 PRO A 10 17.091 -9.111 -2.054 1.00 0.00 H new ATOM 0 HD3 PRO A 10 18.349 -7.904 -2.238 1.00 0.00 H new ATOM 151 N GLY A 11 17.025 -11.322 -4.851 1.00 0.00 N ATOM 152 CA GLY A 11 16.370 -12.513 -5.359 1.00 0.00 C ATOM 153 C GLY A 11 15.842 -12.328 -6.768 1.00 0.00 C ATOM 154 O GLY A 11 16.268 -13.019 -7.695 1.00 0.00 O ATOM 0 H GLY A 11 16.601 -10.924 -4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 11 17.074 -13.345 -5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.546 -12.781 -4.698 1.00 0.00 H new ATOM 158 N LEU A 12 14.910 -11.395 -6.931 1.00 0.00 N ATOM 159 CA LEU A 12 14.321 -11.122 -8.238 1.00 0.00 C ATOM 160 C LEU A 12 15.360 -10.544 -9.193 1.00 0.00 C ATOM 161 O LEU A 12 16.217 -9.756 -8.794 1.00 0.00 O ATOM 162 CB LEU A 12 13.146 -10.153 -8.097 1.00 0.00 C ATOM 163 CG LEU A 12 11.780 -10.788 -7.835 1.00 0.00 C ATOM 164 CD1 LEU A 12 11.285 -11.518 -9.074 1.00 0.00 C ATOM 165 CD2 LEU A 12 11.851 -11.736 -6.648 1.00 0.00 C ATOM 0 H LEU A 12 14.546 -10.815 -6.175 1.00 0.00 H new ATOM 0 HA LEU A 12 13.960 -12.064 -8.651 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.366 -9.463 -7.282 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.079 -9.559 -9.009 1.00 0.00 H new ATOM 0 HG LEU A 12 11.071 -9.995 -7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.312 -11.964 -8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.195 -10.813 -9.900 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.994 -12.302 -9.342 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.870 -12.178 -6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.574 -12.525 -6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.161 -11.185 -5.760 1.00 0.00 H new ATOM 177 N THR A 13 15.277 -10.940 -10.460 1.00 0.00 N ATOM 178 CA THR A 13 16.209 -10.461 -11.473 1.00 0.00 C ATOM 179 C THR A 13 15.493 -9.623 -12.526 1.00 0.00 C ATOM 180 O THR A 13 14.283 -9.748 -12.714 1.00 0.00 O ATOM 181 CB THR A 13 16.932 -11.630 -12.169 1.00 0.00 C ATOM 182 OG1 THR A 13 15.977 -12.486 -12.806 1.00 0.00 O ATOM 183 CG2 THR A 13 17.751 -12.432 -11.169 1.00 0.00 C ATOM 0 H THR A 13 14.574 -11.591 -10.808 1.00 0.00 H new ATOM 0 HA THR A 13 16.945 -9.843 -10.959 1.00 0.00 H new ATOM 0 HB THR A 13 17.607 -11.217 -12.919 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.444 -13.226 -13.248 1.00 0.00 H new ATOM 0 HG21 THR A 13 18.252 -13.252 -11.684 1.00 0.00 H new ATOM 0 HG22 THR A 13 18.496 -11.785 -10.706 1.00 0.00 H new ATOM 0 HG23 THR A 13 17.093 -12.835 -10.400 1.00 0.00 H new ATOM 191 N GLU A 14 16.248 -8.769 -13.209 1.00 0.00 N ATOM 192 CA GLU A 14 15.684 -7.909 -14.243 1.00 0.00 C ATOM 193 C GLU A 14 15.021 -8.740 -15.339 1.00 0.00 C ATOM 194 O GLU A 14 14.071 -8.293 -15.980 1.00 0.00 O ATOM 195 CB GLU A 14 16.773 -7.021 -14.850 1.00 0.00 C ATOM 196 CG GLU A 14 16.266 -6.100 -15.946 1.00 0.00 C ATOM 197 CD GLU A 14 17.375 -5.285 -16.583 1.00 0.00 C ATOM 198 OE1 GLU A 14 18.510 -5.321 -16.063 1.00 0.00 O ATOM 199 OE2 GLU A 14 17.109 -4.613 -17.601 1.00 0.00 O ATOM 0 H GLU A 14 17.251 -8.654 -13.065 1.00 0.00 H new ATOM 0 HA GLU A 14 14.926 -7.277 -13.780 1.00 0.00 H new ATOM 0 HB2 GLU A 14 17.221 -6.419 -14.060 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.562 -7.654 -15.255 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.770 -6.694 -16.714 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.517 -5.426 -15.531 1.00 0.00 H new ATOM 206 N GLU A 15 15.531 -9.950 -15.546 1.00 0.00 N ATOM 207 CA GLU A 15 14.989 -10.842 -16.564 1.00 0.00 C ATOM 208 C GLU A 15 13.525 -11.166 -16.281 1.00 0.00 C ATOM 209 O GLU A 15 12.714 -11.276 -17.200 1.00 0.00 O ATOM 210 CB GLU A 15 15.805 -12.134 -16.629 1.00 0.00 C ATOM 211 CG GLU A 15 15.784 -12.801 -17.994 1.00 0.00 C ATOM 212 CD GLU A 15 16.858 -13.861 -18.143 1.00 0.00 C ATOM 213 OE1 GLU A 15 17.955 -13.678 -17.576 1.00 0.00 O ATOM 214 OE2 GLU A 15 16.600 -14.873 -18.827 1.00 0.00 O ATOM 0 H GLU A 15 16.318 -10.335 -15.023 1.00 0.00 H new ATOM 0 HA GLU A 15 15.051 -10.333 -17.526 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.838 -11.915 -16.357 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.421 -12.834 -15.886 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.806 -13.254 -18.157 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.917 -12.043 -18.766 1.00 0.00 H new ATOM 221 N MET A 16 13.195 -11.318 -15.002 1.00 0.00 N ATOM 222 CA MET A 16 11.829 -11.628 -14.597 1.00 0.00 C ATOM 223 C MET A 16 10.873 -10.513 -15.008 1.00 0.00 C ATOM 224 O MET A 16 9.799 -10.772 -15.551 1.00 0.00 O ATOM 225 CB MET A 16 11.760 -11.844 -13.084 1.00 0.00 C ATOM 226 CG MET A 16 11.892 -13.301 -12.672 1.00 0.00 C ATOM 227 SD MET A 16 10.359 -14.226 -12.888 1.00 0.00 S ATOM 228 CE MET A 16 9.708 -14.198 -11.220 1.00 0.00 C ATOM 0 H MET A 16 13.855 -11.231 -14.229 1.00 0.00 H new ATOM 0 HA MET A 16 11.526 -12.545 -15.102 1.00 0.00 H new ATOM 0 HB2 MET A 16 12.552 -11.267 -12.606 1.00 0.00 H new ATOM 0 HB3 MET A 16 10.812 -11.454 -12.712 1.00 0.00 H new ATOM 0 HG2 MET A 16 12.681 -13.771 -13.260 1.00 0.00 H new ATOM 0 HG3 MET A 16 12.199 -13.353 -11.627 1.00 0.00 H new ATOM 0 HE1 MET A 16 8.758 -14.732 -11.191 1.00 0.00 H new ATOM 0 HE2 MET A 16 10.416 -14.679 -10.545 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.553 -13.165 -10.907 1.00 0.00 H new ATOM 238 N ILE A 17 11.271 -9.272 -14.746 1.00 0.00 N ATOM 239 CA ILE A 17 10.450 -8.119 -15.090 1.00 0.00 C ATOM 240 C ILE A 17 10.264 -8.006 -16.599 1.00 0.00 C ATOM 241 O ILE A 17 9.187 -7.648 -17.076 1.00 0.00 O ATOM 242 CB ILE A 17 11.067 -6.810 -14.561 1.00 0.00 C ATOM 243 CG1 ILE A 17 11.218 -6.871 -13.040 1.00 0.00 C ATOM 244 CG2 ILE A 17 10.212 -5.619 -14.967 1.00 0.00 C ATOM 245 CD1 ILE A 17 12.641 -7.105 -12.582 1.00 0.00 C ATOM 0 H ILE A 17 12.157 -9.040 -14.297 1.00 0.00 H new ATOM 0 HA ILE A 17 9.480 -8.271 -14.617 1.00 0.00 H new ATOM 0 HB ILE A 17 12.057 -6.688 -15.001 1.00 0.00 H new ATOM 0 HG12 ILE A 17 10.855 -5.938 -12.609 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.584 -7.668 -12.652 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.661 -4.702 -14.586 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.151 -5.569 -16.054 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.210 -5.732 -14.552 1.00 0.00 H new ATOM 0 HD11 ILE A 17 12.672 -7.137 -11.493 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.001 -8.052 -12.983 1.00 0.00 H new ATOM 0 HD13 ILE A 17 13.276 -6.295 -12.940 1.00 0.00 H new ATOM 257 N GLN A 18 11.320 -8.316 -17.345 1.00 0.00 N ATOM 258 CA GLN A 18 11.272 -8.251 -18.800 1.00 0.00 C ATOM 259 C GLN A 18 10.169 -9.150 -19.350 1.00 0.00 C ATOM 260 O GLN A 18 9.409 -8.749 -20.233 1.00 0.00 O ATOM 261 CB GLN A 18 12.621 -8.657 -19.395 1.00 0.00 C ATOM 262 CG GLN A 18 13.715 -7.623 -19.184 1.00 0.00 C ATOM 263 CD GLN A 18 15.090 -8.144 -19.555 1.00 0.00 C ATOM 264 OE1 GLN A 18 15.284 -9.347 -19.730 1.00 0.00 O ATOM 265 NE2 GLN A 18 16.053 -7.238 -19.677 1.00 0.00 N ATOM 0 H GLN A 18 12.218 -8.614 -16.965 1.00 0.00 H new ATOM 0 HA GLN A 18 11.052 -7.222 -19.085 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.935 -9.602 -18.951 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.499 -8.832 -20.464 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.493 -6.738 -19.780 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.718 -7.311 -18.140 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.847 -6.251 -19.523 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.999 -7.529 -19.925 1.00 0.00 H new ATOM 274 N LEU A 19 10.087 -10.366 -18.822 1.00 0.00 N ATOM 275 CA LEU A 19 9.077 -11.323 -19.260 1.00 0.00 C ATOM 276 C LEU A 19 7.684 -10.887 -18.815 1.00 0.00 C ATOM 277 O LEU A 19 6.701 -11.090 -19.529 1.00 0.00 O ATOM 278 CB LEU A 19 9.389 -12.714 -18.706 1.00 0.00 C ATOM 279 CG LEU A 19 10.543 -13.460 -19.377 1.00 0.00 C ATOM 280 CD1 LEU A 19 10.926 -14.690 -18.568 1.00 0.00 C ATOM 281 CD2 LEU A 19 10.171 -13.850 -20.800 1.00 0.00 C ATOM 0 H LEU A 19 10.707 -10.713 -18.090 1.00 0.00 H new ATOM 0 HA LEU A 19 9.096 -11.360 -20.349 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.614 -12.618 -17.644 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.491 -13.326 -18.788 1.00 0.00 H new ATOM 0 HG LEU A 19 11.405 -12.794 -19.418 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.749 -15.208 -19.061 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.236 -14.386 -17.568 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.068 -15.359 -18.494 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.004 -14.380 -21.262 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.294 -14.497 -20.782 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.948 -12.952 -21.377 1.00 0.00 H new ATOM 293 N LEU A 20 7.608 -10.285 -17.634 1.00 0.00 N ATOM 294 CA LEU A 20 6.336 -9.817 -17.094 1.00 0.00 C ATOM 295 C LEU A 20 5.783 -8.664 -17.925 1.00 0.00 C ATOM 296 O LEU A 20 4.592 -8.624 -18.233 1.00 0.00 O ATOM 297 CB LEU A 20 6.508 -9.376 -15.639 1.00 0.00 C ATOM 298 CG LEU A 20 6.926 -10.466 -14.652 1.00 0.00 C ATOM 299 CD1 LEU A 20 7.709 -9.866 -13.494 1.00 0.00 C ATOM 300 CD2 LEU A 20 5.706 -11.217 -14.140 1.00 0.00 C ATOM 0 H LEU A 20 8.412 -10.109 -17.031 1.00 0.00 H new ATOM 0 HA LEU A 20 5.626 -10.643 -17.135 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.252 -8.580 -15.607 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.567 -8.946 -15.297 1.00 0.00 H new ATOM 0 HG LEU A 20 7.572 -11.173 -15.173 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.998 -10.657 -12.802 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.603 -9.373 -13.876 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.088 -9.137 -12.973 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.022 -11.989 -13.439 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.036 -10.521 -13.636 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.185 -11.680 -14.978 1.00 0.00 H new ATOM 312 N ARG A 21 6.656 -7.730 -18.287 1.00 0.00 N ATOM 313 CA ARG A 21 6.255 -6.577 -19.084 1.00 0.00 C ATOM 314 C ARG A 21 5.918 -6.994 -20.513 1.00 0.00 C ATOM 315 O ARG A 21 5.106 -6.356 -21.181 1.00 0.00 O ATOM 316 CB ARG A 21 7.368 -5.527 -19.097 1.00 0.00 C ATOM 317 CG ARG A 21 8.633 -5.990 -19.800 1.00 0.00 C ATOM 318 CD ARG A 21 9.587 -4.832 -20.049 1.00 0.00 C ATOM 319 NE ARG A 21 9.026 -3.850 -20.974 1.00 0.00 N ATOM 320 CZ ARG A 21 9.546 -2.643 -21.169 1.00 0.00 C ATOM 321 NH1 ARG A 21 10.633 -2.272 -20.508 1.00 0.00 N ATOM 322 NH2 ARG A 21 8.978 -1.806 -22.028 1.00 0.00 N ATOM 0 H ARG A 21 7.646 -7.749 -18.041 1.00 0.00 H new ATOM 0 HA ARG A 21 5.363 -6.146 -18.630 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.000 -4.625 -19.586 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.612 -5.255 -18.070 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.130 -6.749 -19.195 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.373 -6.459 -20.749 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.822 -4.346 -19.102 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.525 -5.215 -20.452 1.00 0.00 H new ATOM 0 HE ARG A 21 8.189 -4.105 -21.499 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.072 -2.914 -19.848 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.030 -1.345 -20.659 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.142 -2.089 -22.539 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.378 -0.879 -22.177 1.00 0.00 H new ATOM 336 N SER A 22 6.549 -8.070 -20.974 1.00 0.00 N ATOM 337 CA SER A 22 6.320 -8.570 -22.324 1.00 0.00 C ATOM 338 C SER A 22 4.904 -9.121 -22.467 1.00 0.00 C ATOM 339 O SER A 22 4.346 -9.155 -23.564 1.00 0.00 O ATOM 340 CB SER A 22 7.339 -9.657 -22.668 1.00 0.00 C ATOM 341 OG SER A 22 7.234 -10.044 -24.027 1.00 0.00 O ATOM 0 H SER A 22 7.222 -8.612 -20.432 1.00 0.00 H new ATOM 0 HA SER A 22 6.439 -7.738 -23.018 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.346 -9.292 -22.468 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.181 -10.524 -22.027 1.00 0.00 H new ATOM 0 HG SER A 22 7.897 -10.739 -24.221 1.00 0.00 H new ATOM 347 N HIS A 23 4.328 -9.551 -21.349 1.00 0.00 N ATOM 348 CA HIS A 23 2.977 -10.100 -21.347 1.00 0.00 C ATOM 349 C HIS A 23 1.992 -9.117 -20.722 1.00 0.00 C ATOM 350 O HIS A 23 0.876 -9.489 -20.357 1.00 0.00 O ATOM 351 CB HIS A 23 2.943 -11.427 -20.588 1.00 0.00 C ATOM 352 CG HIS A 23 1.943 -12.401 -21.128 1.00 0.00 C ATOM 353 ND1 HIS A 23 1.346 -13.374 -20.354 1.00 0.00 N ATOM 354 CD2 HIS A 23 1.434 -12.548 -22.374 1.00 0.00 C ATOM 355 CE1 HIS A 23 0.514 -14.078 -21.101 1.00 0.00 C ATOM 356 NE2 HIS A 23 0.548 -13.597 -22.330 1.00 0.00 N ATOM 0 H HIS A 23 4.776 -9.530 -20.433 1.00 0.00 H new ATOM 0 HA HIS A 23 2.681 -10.275 -22.381 1.00 0.00 H new ATOM 0 HB2 HIS A 23 3.934 -11.880 -20.621 1.00 0.00 H new ATOM 0 HB3 HIS A 23 2.717 -11.231 -19.540 1.00 0.00 H new ATOM 0 HD2 HIS A 23 1.679 -11.952 -23.241 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -0.091 -14.906 -20.763 1.00 0.00 H new ATOM 0 HE2 HIS A 23 0.005 -13.947 -23.119 1.00 0.00 H new ATOM 364 N ARG A 24 2.412 -7.862 -20.602 1.00 0.00 N ATOM 365 CA ARG A 24 1.567 -6.826 -20.019 1.00 0.00 C ATOM 366 C ARG A 24 1.091 -7.233 -18.627 1.00 0.00 C ATOM 367 O ARG A 24 -0.054 -6.978 -18.253 1.00 0.00 O ATOM 368 CB ARG A 24 0.363 -6.553 -20.921 1.00 0.00 C ATOM 369 CG ARG A 24 0.704 -5.749 -22.166 1.00 0.00 C ATOM 370 CD ARG A 24 -0.308 -5.984 -23.276 1.00 0.00 C ATOM 371 NE ARG A 24 0.043 -7.137 -24.101 1.00 0.00 N ATOM 372 CZ ARG A 24 -0.823 -7.771 -24.884 1.00 0.00 C ATOM 373 NH1 ARG A 24 -2.084 -7.366 -24.948 1.00 0.00 N ATOM 374 NH2 ARG A 24 -0.429 -8.812 -25.605 1.00 0.00 N ATOM 0 H ARG A 24 3.332 -7.538 -20.900 1.00 0.00 H new ATOM 0 HA ARG A 24 2.160 -5.916 -19.930 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.078 -7.503 -21.222 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.395 -6.017 -20.349 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.734 -4.688 -21.918 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.699 -6.023 -22.516 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.295 -6.137 -22.840 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.371 -5.095 -23.903 1.00 0.00 H new ATOM 0 HE ARG A 24 1.005 -7.474 -24.075 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.391 -6.566 -24.395 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.747 -7.855 -25.550 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.540 -9.127 -25.559 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.095 -9.298 -26.206 1.00 0.00 H new ATOM 388 N ILE A 25 1.977 -7.865 -17.865 1.00 0.00 N ATOM 389 CA ILE A 25 1.648 -8.306 -16.516 1.00 0.00 C ATOM 390 C ILE A 25 1.499 -7.118 -15.571 1.00 0.00 C ATOM 391 O ILE A 25 2.173 -6.100 -15.725 1.00 0.00 O ATOM 392 CB ILE A 25 2.720 -9.261 -15.958 1.00 0.00 C ATOM 393 CG1 ILE A 25 2.835 -10.505 -16.841 1.00 0.00 C ATOM 394 CG2 ILE A 25 2.387 -9.651 -14.525 1.00 0.00 C ATOM 395 CD1 ILE A 25 1.624 -11.409 -16.772 1.00 0.00 C ATOM 0 H ILE A 25 2.929 -8.083 -18.159 1.00 0.00 H new ATOM 0 HA ILE A 25 0.699 -8.838 -16.580 1.00 0.00 H new ATOM 0 HB ILE A 25 3.681 -8.747 -15.960 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.988 -10.194 -17.874 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.718 -11.071 -16.544 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.153 -10.326 -14.144 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.350 -8.756 -13.904 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.418 -10.150 -14.500 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.775 -12.270 -17.423 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.482 -11.750 -15.746 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.741 -10.859 -17.097 1.00 0.00 H new ATOM 407 N LYS A 26 0.613 -7.257 -14.590 1.00 0.00 N ATOM 408 CA LYS A 26 0.377 -6.197 -13.616 1.00 0.00 C ATOM 409 C LYS A 26 1.333 -6.322 -12.434 1.00 0.00 C ATOM 410 O LYS A 26 2.251 -7.143 -12.448 1.00 0.00 O ATOM 411 CB LYS A 26 -1.070 -6.244 -13.123 1.00 0.00 C ATOM 412 CG LYS A 26 -1.843 -4.962 -13.381 1.00 0.00 C ATOM 413 CD LYS A 26 -2.498 -4.972 -14.752 1.00 0.00 C ATOM 414 CE LYS A 26 -3.780 -5.790 -14.751 1.00 0.00 C ATOM 415 NZ LYS A 26 -4.395 -5.860 -16.105 1.00 0.00 N ATOM 0 H LYS A 26 0.047 -8.093 -14.448 1.00 0.00 H new ATOM 0 HA LYS A 26 0.557 -5.240 -14.106 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.584 -7.073 -13.610 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.074 -6.451 -12.053 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.606 -4.835 -12.613 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.169 -4.108 -13.305 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.718 -3.949 -15.059 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.804 -5.383 -15.485 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.567 -6.798 -14.397 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.491 -5.350 -14.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.266 -6.426 -16.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.622 -4.900 -16.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.727 -6.303 -16.767 1.00 0.00 H new ATOM 429 N THR A 27 1.111 -5.504 -11.410 1.00 0.00 N ATOM 430 CA THR A 27 1.952 -5.523 -10.220 1.00 0.00 C ATOM 431 C THR A 27 1.703 -6.778 -9.391 1.00 0.00 C ATOM 432 O THR A 27 0.923 -7.647 -9.781 1.00 0.00 O ATOM 433 CB THR A 27 1.708 -4.283 -9.340 1.00 0.00 C ATOM 434 OG1 THR A 27 0.515 -4.458 -8.567 1.00 0.00 O ATOM 435 CG2 THR A 27 1.586 -3.029 -10.193 1.00 0.00 C ATOM 0 H THR A 27 0.355 -4.820 -11.381 1.00 0.00 H new ATOM 0 HA THR A 27 2.986 -5.517 -10.564 1.00 0.00 H new ATOM 0 HB THR A 27 2.561 -4.166 -8.671 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.170 -3.829 -8.876 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.414 -2.166 -9.549 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.507 -2.882 -10.758 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.750 -3.139 -10.884 1.00 0.00 H new ATOM 443 N VAL A 28 2.369 -6.866 -8.244 1.00 0.00 N ATOM 444 CA VAL A 28 2.218 -8.014 -7.358 1.00 0.00 C ATOM 445 C VAL A 28 0.748 -8.359 -7.152 1.00 0.00 C ATOM 446 O VAL A 28 0.397 -9.517 -6.920 1.00 0.00 O ATOM 447 CB VAL A 28 2.871 -7.755 -5.987 1.00 0.00 C ATOM 448 CG1 VAL A 28 2.105 -6.684 -5.225 1.00 0.00 C ATOM 449 CG2 VAL A 28 2.946 -9.043 -5.182 1.00 0.00 C ATOM 0 H VAL A 28 3.019 -6.156 -7.907 1.00 0.00 H new ATOM 0 HA VAL A 28 2.721 -8.853 -7.838 1.00 0.00 H new ATOM 0 HB VAL A 28 3.887 -7.395 -6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.581 -6.514 -4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.108 -5.757 -5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.077 -7.012 -5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.410 -8.842 -4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.941 -9.434 -5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.541 -9.777 -5.725 1.00 0.00 H new ATOM 459 N VAL A 29 -0.110 -7.348 -7.239 1.00 0.00 N ATOM 460 CA VAL A 29 -1.544 -7.544 -7.063 1.00 0.00 C ATOM 461 C VAL A 29 -2.076 -8.601 -8.025 1.00 0.00 C ATOM 462 O VAL A 29 -2.873 -9.458 -7.643 1.00 0.00 O ATOM 463 CB VAL A 29 -2.321 -6.232 -7.280 1.00 0.00 C ATOM 464 CG1 VAL A 29 -1.936 -5.203 -6.227 1.00 0.00 C ATOM 465 CG2 VAL A 29 -2.074 -5.692 -8.680 1.00 0.00 C ATOM 0 H VAL A 29 0.163 -6.384 -7.430 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.694 -7.881 -6.037 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.386 -6.440 -7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.495 -4.283 -6.396 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.169 -5.592 -5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.868 -4.996 -6.294 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.631 -4.765 -8.816 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.010 -5.499 -8.813 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.404 -6.425 -9.416 1.00 0.00 H new ATOM 475 N ASP A 30 -1.628 -8.535 -9.274 1.00 0.00 N ATOM 476 CA ASP A 30 -2.057 -9.488 -10.291 1.00 0.00 C ATOM 477 C ASP A 30 -1.435 -10.860 -10.048 1.00 0.00 C ATOM 478 O ASP A 30 -2.091 -11.889 -10.215 1.00 0.00 O ATOM 479 CB ASP A 30 -1.680 -8.983 -11.685 1.00 0.00 C ATOM 480 CG ASP A 30 -1.803 -10.061 -12.744 1.00 0.00 C ATOM 481 OD1 ASP A 30 -2.946 -10.388 -13.128 1.00 0.00 O ATOM 482 OD2 ASP A 30 -0.757 -10.577 -13.189 1.00 0.00 O ATOM 0 H ASP A 30 -0.968 -7.832 -9.606 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.141 -9.585 -10.229 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.322 -8.143 -11.950 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.656 -8.609 -11.668 1.00 0.00 H new ATOM 487 N LEU A 31 -0.167 -10.867 -9.654 1.00 0.00 N ATOM 488 CA LEU A 31 0.545 -12.112 -9.389 1.00 0.00 C ATOM 489 C LEU A 31 -0.222 -12.976 -8.393 1.00 0.00 C ATOM 490 O LEU A 31 -0.345 -14.188 -8.572 1.00 0.00 O ATOM 491 CB LEU A 31 1.947 -11.817 -8.852 1.00 0.00 C ATOM 492 CG LEU A 31 2.960 -12.957 -8.958 1.00 0.00 C ATOM 493 CD1 LEU A 31 4.378 -12.426 -8.815 1.00 0.00 C ATOM 494 CD2 LEU A 31 2.678 -14.020 -7.906 1.00 0.00 C ATOM 0 H LEU A 31 0.390 -10.024 -9.511 1.00 0.00 H new ATOM 0 HA LEU A 31 0.630 -12.660 -10.327 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.344 -10.954 -9.386 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.860 -11.531 -7.804 1.00 0.00 H new ATOM 0 HG LEU A 31 2.863 -13.414 -9.943 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.085 -13.252 -8.893 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.577 -11.702 -9.605 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.490 -11.943 -7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.409 -14.824 -7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.747 -13.576 -6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.676 -14.422 -8.055 1.00 0.00 H new ATOM 506 N VAL A 32 -0.739 -12.344 -7.344 1.00 0.00 N ATOM 507 CA VAL A 32 -1.497 -13.054 -6.321 1.00 0.00 C ATOM 508 C VAL A 32 -2.647 -13.843 -6.937 1.00 0.00 C ATOM 509 O VAL A 32 -2.928 -14.970 -6.530 1.00 0.00 O ATOM 510 CB VAL A 32 -2.062 -12.084 -5.266 1.00 0.00 C ATOM 511 CG1 VAL A 32 -2.901 -12.835 -4.244 1.00 0.00 C ATOM 512 CG2 VAL A 32 -0.935 -11.321 -4.586 1.00 0.00 C ATOM 0 H VAL A 32 -0.647 -11.341 -7.181 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.805 -13.743 -5.837 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.706 -11.363 -5.769 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.291 -12.133 -3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.731 -13.331 -4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.283 -13.580 -3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.352 -10.640 -3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.263 -12.025 -4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.381 -10.750 -5.331 1.00 0.00 H new ATOM 522 N SER A 33 -3.308 -13.243 -7.922 1.00 0.00 N ATOM 523 CA SER A 33 -4.430 -13.888 -8.593 1.00 0.00 C ATOM 524 C SER A 33 -3.956 -14.669 -9.815 1.00 0.00 C ATOM 525 O SER A 33 -4.741 -15.354 -10.470 1.00 0.00 O ATOM 526 CB SER A 33 -5.469 -12.845 -9.012 1.00 0.00 C ATOM 527 OG SER A 33 -6.565 -12.829 -8.115 1.00 0.00 O ATOM 0 H SER A 33 -3.086 -12.311 -8.273 1.00 0.00 H new ATOM 0 HA SER A 33 -4.888 -14.586 -7.892 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.006 -11.859 -9.044 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.823 -13.064 -10.020 1.00 0.00 H new ATOM 0 HG SER A 33 -7.214 -12.154 -8.403 1.00 0.00 H new ATOM 533 N ALA A 34 -2.666 -14.561 -10.114 1.00 0.00 N ATOM 534 CA ALA A 34 -2.085 -15.259 -11.255 1.00 0.00 C ATOM 535 C ALA A 34 -1.771 -16.710 -10.909 1.00 0.00 C ATOM 536 O ALA A 34 -1.993 -17.152 -9.781 1.00 0.00 O ATOM 537 CB ALA A 34 -0.828 -14.543 -11.727 1.00 0.00 C ATOM 0 H ALA A 34 -2.003 -13.997 -9.582 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.817 -15.256 -12.063 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.405 -15.075 -12.579 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.079 -13.524 -12.023 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.099 -14.516 -10.917 1.00 0.00 H new ATOM 543 N ASP A 35 -1.255 -17.448 -11.886 1.00 0.00 N ATOM 544 CA ASP A 35 -0.910 -18.850 -11.685 1.00 0.00 C ATOM 545 C ASP A 35 0.556 -18.998 -11.291 1.00 0.00 C ATOM 546 O ASP A 35 1.327 -19.679 -11.969 1.00 0.00 O ATOM 547 CB ASP A 35 -1.193 -19.655 -12.955 1.00 0.00 C ATOM 548 CG ASP A 35 -2.671 -19.702 -13.293 1.00 0.00 C ATOM 549 OD1 ASP A 35 -3.177 -18.721 -13.876 1.00 0.00 O ATOM 550 OD2 ASP A 35 -3.320 -20.720 -12.973 1.00 0.00 O ATOM 0 H ASP A 35 -1.067 -17.098 -12.825 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.527 -19.237 -10.874 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.646 -19.216 -13.789 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.820 -20.671 -12.828 1.00 0.00 H new ATOM 555 N LEU A 36 0.935 -18.356 -10.191 1.00 0.00 N ATOM 556 CA LEU A 36 2.310 -18.415 -9.707 1.00 0.00 C ATOM 557 C LEU A 36 2.748 -19.859 -9.487 1.00 0.00 C ATOM 558 O LEU A 36 3.902 -20.210 -9.730 1.00 0.00 O ATOM 559 CB LEU A 36 2.446 -17.624 -8.404 1.00 0.00 C ATOM 560 CG LEU A 36 3.857 -17.153 -8.050 1.00 0.00 C ATOM 561 CD1 LEU A 36 4.744 -18.338 -7.702 1.00 0.00 C ATOM 562 CD2 LEU A 36 4.457 -16.354 -9.198 1.00 0.00 C ATOM 0 H LEU A 36 0.310 -17.789 -9.618 1.00 0.00 H new ATOM 0 HA LEU A 36 2.956 -17.971 -10.464 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.797 -16.750 -8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.075 -18.242 -7.586 1.00 0.00 H new ATOM 0 HG LEU A 36 3.794 -16.504 -7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.744 -17.983 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.324 -18.868 -6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.801 -19.013 -8.556 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.461 -16.027 -8.928 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.506 -16.979 -10.090 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.834 -15.483 -9.400 1.00 0.00 H new ATOM 574 N GLU A 37 1.819 -20.691 -9.027 1.00 0.00 N ATOM 575 CA GLU A 37 2.110 -22.098 -8.777 1.00 0.00 C ATOM 576 C GLU A 37 2.542 -22.801 -10.060 1.00 0.00 C ATOM 577 O GLU A 37 3.501 -23.571 -10.066 1.00 0.00 O ATOM 578 CB GLU A 37 0.885 -22.798 -8.185 1.00 0.00 C ATOM 579 CG GLU A 37 -0.366 -22.656 -9.035 1.00 0.00 C ATOM 580 CD GLU A 37 -1.639 -22.864 -8.238 1.00 0.00 C ATOM 581 OE1 GLU A 37 -1.550 -23.376 -7.102 1.00 0.00 O ATOM 582 OE2 GLU A 37 -2.724 -22.517 -8.750 1.00 0.00 O ATOM 0 H GLU A 37 0.859 -20.415 -8.820 1.00 0.00 H new ATOM 0 HA GLU A 37 2.930 -22.151 -8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.109 -23.857 -8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.688 -22.391 -7.193 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.383 -21.664 -9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.330 -23.378 -9.851 1.00 0.00 H new ATOM 589 N GLU A 38 1.824 -22.530 -11.146 1.00 0.00 N ATOM 590 CA GLU A 38 2.131 -23.139 -12.435 1.00 0.00 C ATOM 591 C GLU A 38 3.366 -22.495 -13.060 1.00 0.00 C ATOM 592 O GLU A 38 4.279 -23.187 -13.512 1.00 0.00 O ATOM 593 CB GLU A 38 0.938 -23.006 -13.384 1.00 0.00 C ATOM 594 CG GLU A 38 0.870 -24.103 -14.433 1.00 0.00 C ATOM 595 CD GLU A 38 -0.392 -24.031 -15.271 1.00 0.00 C ATOM 596 OE1 GLU A 38 -1.313 -23.278 -14.892 1.00 0.00 O ATOM 597 OE2 GLU A 38 -0.458 -24.728 -16.306 1.00 0.00 O ATOM 0 H GLU A 38 1.027 -21.894 -11.159 1.00 0.00 H new ATOM 0 HA GLU A 38 2.338 -24.196 -12.269 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.017 -23.015 -12.800 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.988 -22.039 -13.884 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.740 -24.031 -15.086 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.920 -25.074 -13.941 1.00 0.00 H new ATOM 604 N VAL A 39 3.387 -21.166 -13.082 1.00 0.00 N ATOM 605 CA VAL A 39 4.508 -20.428 -13.650 1.00 0.00 C ATOM 606 C VAL A 39 5.813 -20.785 -12.947 1.00 0.00 C ATOM 607 O VAL A 39 6.855 -20.929 -13.586 1.00 0.00 O ATOM 608 CB VAL A 39 4.286 -18.907 -13.555 1.00 0.00 C ATOM 609 CG1 VAL A 39 5.426 -18.157 -14.226 1.00 0.00 C ATOM 610 CG2 VAL A 39 2.949 -18.525 -14.172 1.00 0.00 C ATOM 0 H VAL A 39 2.640 -20.578 -12.713 1.00 0.00 H new ATOM 0 HA VAL A 39 4.574 -20.712 -14.700 1.00 0.00 H new ATOM 0 HB VAL A 39 4.269 -18.625 -12.502 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.251 -17.084 -14.148 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.366 -18.408 -13.734 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.479 -18.441 -15.277 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.808 -17.447 -14.096 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.935 -18.820 -15.221 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.145 -19.034 -13.641 1.00 0.00 H new ATOM 620 N ALA A 40 5.749 -20.926 -11.627 1.00 0.00 N ATOM 621 CA ALA A 40 6.924 -21.268 -10.837 1.00 0.00 C ATOM 622 C ALA A 40 7.435 -22.661 -11.188 1.00 0.00 C ATOM 623 O ALA A 40 8.641 -22.907 -11.192 1.00 0.00 O ATOM 624 CB ALA A 40 6.606 -21.179 -9.352 1.00 0.00 C ATOM 0 H ALA A 40 4.895 -20.808 -11.082 1.00 0.00 H new ATOM 0 HA ALA A 40 7.711 -20.551 -11.072 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.493 -21.437 -8.774 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.296 -20.163 -9.107 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.801 -21.873 -9.110 1.00 0.00 H new ATOM 630 N GLN A 41 6.510 -23.569 -11.481 1.00 0.00 N ATOM 631 CA GLN A 41 6.868 -24.939 -11.832 1.00 0.00 C ATOM 632 C GLN A 41 7.570 -24.988 -13.185 1.00 0.00 C ATOM 633 O GLN A 41 8.616 -25.620 -13.332 1.00 0.00 O ATOM 634 CB GLN A 41 5.621 -25.824 -11.858 1.00 0.00 C ATOM 635 CG GLN A 41 5.151 -26.254 -10.478 1.00 0.00 C ATOM 636 CD GLN A 41 5.945 -27.423 -9.929 1.00 0.00 C ATOM 637 OE1 GLN A 41 6.684 -27.284 -8.954 1.00 0.00 O ATOM 638 NE2 GLN A 41 5.797 -28.585 -10.554 1.00 0.00 N ATOM 0 H GLN A 41 5.507 -23.381 -11.482 1.00 0.00 H new ATOM 0 HA GLN A 41 7.555 -25.314 -11.073 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.814 -25.286 -12.356 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.828 -26.712 -12.455 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.232 -25.411 -9.792 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.097 -26.526 -10.526 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.174 -28.656 -11.358 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.306 -29.407 -10.230 1.00 0.00 H new ATOM 647 N LYS A 42 6.986 -24.318 -14.173 1.00 0.00 N ATOM 648 CA LYS A 42 7.555 -24.284 -15.515 1.00 0.00 C ATOM 649 C LYS A 42 8.849 -23.477 -15.538 1.00 0.00 C ATOM 650 O LYS A 42 9.851 -23.909 -16.108 1.00 0.00 O ATOM 651 CB LYS A 42 6.550 -23.684 -16.502 1.00 0.00 C ATOM 652 CG LYS A 42 5.250 -24.464 -16.595 1.00 0.00 C ATOM 653 CD LYS A 42 5.341 -25.579 -17.624 1.00 0.00 C ATOM 654 CE LYS A 42 5.138 -25.053 -19.036 1.00 0.00 C ATOM 655 NZ LYS A 42 3.694 -24.885 -19.363 1.00 0.00 N ATOM 0 H LYS A 42 6.119 -23.791 -14.069 1.00 0.00 H new ATOM 0 HA LYS A 42 7.781 -25.308 -15.812 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.329 -22.659 -16.204 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.007 -23.637 -17.490 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.008 -24.886 -15.620 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.437 -23.788 -16.861 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.315 -26.063 -17.552 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.590 -26.339 -17.406 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.649 -24.096 -19.144 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.594 -25.740 -19.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.598 -24.525 -20.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.211 -25.803 -19.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.264 -24.210 -18.699 1.00 0.00 H new ATOM 669 N CYS A 43 8.821 -22.305 -14.914 1.00 0.00 N ATOM 670 CA CYS A 43 9.993 -21.438 -14.861 1.00 0.00 C ATOM 671 C CYS A 43 11.087 -22.054 -13.996 1.00 0.00 C ATOM 672 O CYS A 43 12.274 -21.814 -14.213 1.00 0.00 O ATOM 673 CB CYS A 43 9.610 -20.060 -14.317 1.00 0.00 C ATOM 674 SG CYS A 43 10.928 -18.828 -14.435 1.00 0.00 S ATOM 0 H CYS A 43 8.000 -21.933 -14.437 1.00 0.00 H new ATOM 0 HA CYS A 43 10.377 -21.326 -15.875 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.738 -19.696 -14.860 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.315 -20.162 -13.273 1.00 0.00 H new ATOM 0 HG CYS A 43 10.509 -17.696 -13.952 1.00 0.00 H new ATOM 680 N GLY A 44 10.678 -22.849 -13.012 1.00 0.00 N ATOM 681 CA GLY A 44 11.636 -23.486 -12.127 1.00 0.00 C ATOM 682 C GLY A 44 11.996 -22.616 -10.939 1.00 0.00 C ATOM 683 O GLY A 44 13.112 -22.688 -10.423 1.00 0.00 O ATOM 0 H GLY A 44 9.701 -23.063 -12.812 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.224 -24.430 -11.770 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.541 -23.724 -12.687 1.00 0.00 H new ATOM 687 N LEU A 45 11.051 -21.789 -10.506 1.00 0.00 N ATOM 688 CA LEU A 45 11.275 -20.898 -9.372 1.00 0.00 C ATOM 689 C LEU A 45 10.865 -21.568 -8.064 1.00 0.00 C ATOM 690 O LEU A 45 9.992 -22.436 -8.047 1.00 0.00 O ATOM 691 CB LEU A 45 10.494 -19.596 -9.559 1.00 0.00 C ATOM 692 CG LEU A 45 10.477 -18.646 -8.361 1.00 0.00 C ATOM 693 CD1 LEU A 45 11.874 -18.113 -8.082 1.00 0.00 C ATOM 694 CD2 LEU A 45 9.505 -17.501 -8.603 1.00 0.00 C ATOM 0 H LEU A 45 10.123 -21.717 -10.922 1.00 0.00 H new ATOM 0 HA LEU A 45 12.340 -20.671 -9.324 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.913 -19.064 -10.413 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.464 -19.847 -9.813 1.00 0.00 H new ATOM 0 HG LEU A 45 10.142 -19.202 -7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.842 -17.439 -7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.544 -18.945 -7.864 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.239 -17.573 -8.956 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.506 -16.835 -7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.810 -16.946 -9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.502 -17.901 -8.752 1.00 0.00 H new ATOM 706 N SER A 46 11.499 -21.156 -6.971 1.00 0.00 N ATOM 707 CA SER A 46 11.201 -21.717 -5.658 1.00 0.00 C ATOM 708 C SER A 46 9.962 -21.062 -5.056 1.00 0.00 C ATOM 709 O SER A 46 10.002 -19.908 -4.627 1.00 0.00 O ATOM 710 CB SER A 46 12.395 -21.536 -4.719 1.00 0.00 C ATOM 711 OG SER A 46 12.193 -22.225 -3.498 1.00 0.00 O ATOM 0 H SER A 46 12.222 -20.436 -6.968 1.00 0.00 H new ATOM 0 HA SER A 46 11.004 -22.782 -5.782 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.300 -21.904 -5.202 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.548 -20.475 -4.520 1.00 0.00 H new ATOM 0 HG SER A 46 12.971 -22.095 -2.916 1.00 0.00 H new ATOM 717 N TYR A 47 8.861 -21.806 -5.027 1.00 0.00 N ATOM 718 CA TYR A 47 7.609 -21.297 -4.480 1.00 0.00 C ATOM 719 C TYR A 47 7.799 -20.808 -3.047 1.00 0.00 C ATOM 720 O TYR A 47 7.064 -19.944 -2.571 1.00 0.00 O ATOM 721 CB TYR A 47 6.532 -22.383 -4.522 1.00 0.00 C ATOM 722 CG TYR A 47 5.139 -21.864 -4.245 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.360 -21.332 -5.265 1.00 0.00 C ATOM 724 CD2 TYR A 47 4.602 -21.906 -2.964 1.00 0.00 C ATOM 725 CE1 TYR A 47 3.087 -20.856 -5.017 1.00 0.00 C ATOM 726 CE2 TYR A 47 3.330 -21.434 -2.707 1.00 0.00 C ATOM 727 CZ TYR A 47 2.576 -20.910 -3.737 1.00 0.00 C ATOM 728 OH TYR A 47 1.308 -20.438 -3.485 1.00 0.00 O ATOM 0 H TYR A 47 8.811 -22.763 -5.376 1.00 0.00 H new ATOM 0 HA TYR A 47 7.290 -20.454 -5.093 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.545 -22.859 -5.503 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.776 -23.154 -3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.756 -21.290 -6.269 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.190 -22.315 -2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.495 -20.444 -5.821 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.928 -21.475 -1.706 1.00 0.00 H new ATOM 0 HH TYR A 47 1.100 -20.550 -2.534 1.00 0.00 H new ATOM 738 N LYS A 48 8.793 -21.368 -2.365 1.00 0.00 N ATOM 739 CA LYS A 48 9.084 -20.990 -0.987 1.00 0.00 C ATOM 740 C LYS A 48 9.345 -19.491 -0.878 1.00 0.00 C ATOM 741 O LYS A 48 8.955 -18.853 0.099 1.00 0.00 O ATOM 742 CB LYS A 48 10.294 -21.769 -0.468 1.00 0.00 C ATOM 743 CG LYS A 48 10.075 -23.271 -0.418 1.00 0.00 C ATOM 744 CD LYS A 48 9.140 -23.660 0.715 1.00 0.00 C ATOM 745 CE LYS A 48 9.171 -25.159 0.973 1.00 0.00 C ATOM 746 NZ LYS A 48 8.112 -25.579 1.932 1.00 0.00 N ATOM 0 H LYS A 48 9.411 -22.085 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 48 8.214 -21.234 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.153 -21.557 -1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.543 -21.413 0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.660 -23.611 -1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.033 -23.775 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.425 -23.128 1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.123 -23.353 0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.040 -25.692 0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.148 -25.440 1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.167 -26.607 2.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.251 -25.090 2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.178 -25.334 1.546 1.00 0.00 H new ATOM 760 N ALA A 49 10.007 -18.935 -1.888 1.00 0.00 N ATOM 761 CA ALA A 49 10.317 -17.511 -1.907 1.00 0.00 C ATOM 762 C ALA A 49 9.051 -16.676 -2.067 1.00 0.00 C ATOM 763 O ALA A 49 8.998 -15.522 -1.638 1.00 0.00 O ATOM 764 CB ALA A 49 11.301 -17.200 -3.025 1.00 0.00 C ATOM 0 H ALA A 49 10.339 -19.450 -2.704 1.00 0.00 H new ATOM 0 HA ALA A 49 10.774 -17.251 -0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.524 -16.133 -3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.221 -17.762 -2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.864 -17.482 -3.983 1.00 0.00 H new ATOM 770 N LEU A 50 8.033 -17.265 -2.685 1.00 0.00 N ATOM 771 CA LEU A 50 6.767 -16.574 -2.902 1.00 0.00 C ATOM 772 C LEU A 50 5.978 -16.462 -1.601 1.00 0.00 C ATOM 773 O LEU A 50 5.560 -15.373 -1.208 1.00 0.00 O ATOM 774 CB LEU A 50 5.935 -17.311 -3.954 1.00 0.00 C ATOM 775 CG LEU A 50 4.648 -16.616 -4.399 1.00 0.00 C ATOM 776 CD1 LEU A 50 3.546 -16.823 -3.372 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.895 -15.131 -4.627 1.00 0.00 C ATOM 0 H LEU A 50 8.060 -18.219 -3.044 1.00 0.00 H new ATOM 0 HA LEU A 50 6.987 -15.568 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.559 -17.474 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.676 -18.294 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 50 4.326 -17.060 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.638 -16.321 -3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.350 -17.889 -3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.859 -16.407 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.968 -14.652 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.242 -14.673 -3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.652 -15.003 -5.401 1.00 0.00 H new ATOM 789 N VAL A 51 5.780 -17.595 -0.936 1.00 0.00 N ATOM 790 CA VAL A 51 5.045 -17.624 0.323 1.00 0.00 C ATOM 791 C VAL A 51 5.718 -16.748 1.373 1.00 0.00 C ATOM 792 O VAL A 51 5.049 -16.086 2.166 1.00 0.00 O ATOM 793 CB VAL A 51 4.923 -19.059 0.869 1.00 0.00 C ATOM 794 CG1 VAL A 51 6.297 -19.697 1.006 1.00 0.00 C ATOM 795 CG2 VAL A 51 4.190 -19.061 2.202 1.00 0.00 C ATOM 0 H VAL A 51 6.118 -18.505 -1.248 1.00 0.00 H new ATOM 0 HA VAL A 51 4.048 -17.236 0.116 1.00 0.00 H new ATOM 0 HB VAL A 51 4.343 -19.651 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.191 -20.710 1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.782 -19.730 0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.905 -19.108 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.113 -20.083 2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.741 -18.454 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.191 -18.647 2.068 1.00 0.00 H new ATOM 805 N ALA A 52 7.047 -16.748 1.372 1.00 0.00 N ATOM 806 CA ALA A 52 7.812 -15.951 2.323 1.00 0.00 C ATOM 807 C ALA A 52 7.456 -14.473 2.211 1.00 0.00 C ATOM 808 O ALA A 52 7.283 -13.787 3.220 1.00 0.00 O ATOM 809 CB ALA A 52 9.304 -16.155 2.103 1.00 0.00 C ATOM 0 H ALA A 52 7.616 -17.291 0.723 1.00 0.00 H new ATOM 0 HA ALA A 52 7.556 -16.285 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.863 -15.554 2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.552 -17.208 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.568 -15.850 1.090 1.00 0.00 H new ATOM 815 N LEU A 53 7.349 -13.986 0.980 1.00 0.00 N ATOM 816 CA LEU A 53 7.014 -12.588 0.736 1.00 0.00 C ATOM 817 C LEU A 53 5.565 -12.300 1.116 1.00 0.00 C ATOM 818 O LEU A 53 5.271 -11.300 1.771 1.00 0.00 O ATOM 819 CB LEU A 53 7.247 -12.236 -0.734 1.00 0.00 C ATOM 820 CG LEU A 53 8.707 -12.169 -1.185 1.00 0.00 C ATOM 821 CD1 LEU A 53 8.815 -12.421 -2.681 1.00 0.00 C ATOM 822 CD2 LEU A 53 9.316 -10.822 -0.824 1.00 0.00 C ATOM 0 H LEU A 53 7.490 -14.539 0.135 1.00 0.00 H new ATOM 0 HA LEU A 53 7.663 -11.971 1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.731 -12.973 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.781 -11.271 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 53 9.264 -12.948 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.861 -12.369 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.418 -13.409 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.244 -11.665 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.355 -10.793 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.757 -10.026 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.273 -10.681 0.256 1.00 0.00 H new ATOM 834 N ARG A 54 4.663 -13.185 0.701 1.00 0.00 N ATOM 835 CA ARG A 54 3.245 -13.027 0.999 1.00 0.00 C ATOM 836 C ARG A 54 3.009 -12.967 2.505 1.00 0.00 C ATOM 837 O ARG A 54 2.269 -12.113 2.994 1.00 0.00 O ATOM 838 CB ARG A 54 2.443 -14.180 0.392 1.00 0.00 C ATOM 839 CG ARG A 54 1.878 -13.870 -0.985 1.00 0.00 C ATOM 840 CD ARG A 54 0.638 -12.994 -0.894 1.00 0.00 C ATOM 841 NE ARG A 54 -0.524 -13.738 -0.418 1.00 0.00 N ATOM 842 CZ ARG A 54 -1.151 -14.661 -1.139 1.00 0.00 C ATOM 843 NH1 ARG A 54 -0.729 -14.952 -2.362 1.00 0.00 N ATOM 844 NH2 ARG A 54 -2.203 -15.296 -0.637 1.00 0.00 N ATOM 0 H ARG A 54 4.890 -14.018 0.158 1.00 0.00 H new ATOM 0 HA ARG A 54 2.909 -12.088 0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.083 -15.060 0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.623 -14.434 1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.636 -13.368 -1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.631 -14.801 -1.496 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.833 -12.158 -0.222 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.421 -12.571 -1.875 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.874 -13.538 0.519 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.079 -14.467 -2.752 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.213 -15.661 -2.913 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.531 -15.075 0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.684 -16.004 -1.192 1.00 0.00 H new ATOM 858 N ARG A 55 3.642 -13.880 3.235 1.00 0.00 N ATOM 859 CA ARG A 55 3.499 -13.932 4.685 1.00 0.00 C ATOM 860 C ARG A 55 3.922 -12.611 5.321 1.00 0.00 C ATOM 861 O ARG A 55 3.302 -12.142 6.275 1.00 0.00 O ATOM 862 CB ARG A 55 4.334 -15.078 5.260 1.00 0.00 C ATOM 863 CG ARG A 55 4.020 -15.390 6.714 1.00 0.00 C ATOM 864 CD ARG A 55 4.973 -16.432 7.278 1.00 0.00 C ATOM 865 NE ARG A 55 6.277 -15.862 7.606 1.00 0.00 N ATOM 866 CZ ARG A 55 7.240 -16.536 8.223 1.00 0.00 C ATOM 867 NH1 ARG A 55 7.047 -17.799 8.578 1.00 0.00 N ATOM 868 NH2 ARG A 55 8.400 -15.948 8.487 1.00 0.00 N ATOM 0 H ARG A 55 4.259 -14.593 2.846 1.00 0.00 H new ATOM 0 HA ARG A 55 2.448 -14.106 4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.168 -15.973 4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.391 -14.826 5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.086 -14.477 7.306 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.995 -15.750 6.797 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.536 -16.876 8.173 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.101 -17.236 6.553 1.00 0.00 H new ATOM 0 HE ARG A 55 6.458 -14.892 7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.157 -18.255 8.377 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.789 -18.315 9.052 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.553 -14.977 8.216 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.139 -16.467 8.961 1.00 0.00 H new ATOM 882 N VAL A 56 4.984 -12.016 4.785 1.00 0.00 N ATOM 883 CA VAL A 56 5.490 -10.749 5.300 1.00 0.00 C ATOM 884 C VAL A 56 4.520 -9.610 5.007 1.00 0.00 C ATOM 885 O VAL A 56 4.316 -8.725 5.839 1.00 0.00 O ATOM 886 CB VAL A 56 6.864 -10.406 4.694 1.00 0.00 C ATOM 887 CG1 VAL A 56 7.362 -9.070 5.221 1.00 0.00 C ATOM 888 CG2 VAL A 56 7.866 -11.512 4.988 1.00 0.00 C ATOM 0 H VAL A 56 5.510 -12.391 3.995 1.00 0.00 H new ATOM 0 HA VAL A 56 5.595 -10.865 6.379 1.00 0.00 H new ATOM 0 HB VAL A 56 6.755 -10.324 3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.334 -8.845 4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.653 -8.286 4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.457 -9.119 6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.831 -11.254 4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.974 -11.628 6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.512 -12.448 4.556 1.00 0.00 H new ATOM 898 N LEU A 57 3.923 -9.638 3.821 1.00 0.00 N ATOM 899 CA LEU A 57 2.972 -8.608 3.418 1.00 0.00 C ATOM 900 C LEU A 57 1.731 -8.636 4.304 1.00 0.00 C ATOM 901 O LEU A 57 1.277 -7.598 4.788 1.00 0.00 O ATOM 902 CB LEU A 57 2.572 -8.800 1.954 1.00 0.00 C ATOM 903 CG LEU A 57 3.395 -8.023 0.925 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.817 -8.559 0.865 1.00 0.00 C ATOM 905 CD2 LEU A 57 2.738 -8.092 -0.445 1.00 0.00 C ATOM 0 H LEU A 57 4.081 -10.363 3.121 1.00 0.00 H new ATOM 0 HA LEU A 57 3.455 -7.638 3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.639 -9.862 1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.526 -8.514 1.844 1.00 0.00 H new ATOM 0 HG LEU A 57 3.435 -6.978 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.388 -7.994 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.286 -8.456 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.798 -9.611 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.337 -7.534 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.666 -9.132 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.739 -7.659 -0.392 1.00 0.00 H new ATOM 917 N LEU A 58 1.187 -9.830 4.514 1.00 0.00 N ATOM 918 CA LEU A 58 -0.001 -9.994 5.344 1.00 0.00 C ATOM 919 C LEU A 58 0.333 -9.789 6.819 1.00 0.00 C ATOM 920 O LEU A 58 -0.486 -9.284 7.586 1.00 0.00 O ATOM 921 CB LEU A 58 -0.606 -11.383 5.135 1.00 0.00 C ATOM 922 CG LEU A 58 0.335 -12.567 5.365 1.00 0.00 C ATOM 923 CD1 LEU A 58 0.347 -12.960 6.834 1.00 0.00 C ATOM 924 CD2 LEU A 58 -0.072 -13.749 4.498 1.00 0.00 C ATOM 0 H LEU A 58 1.550 -10.698 4.121 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.729 -9.239 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.461 -11.489 5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.988 -11.441 4.116 1.00 0.00 H new ATOM 0 HG LEU A 58 1.343 -12.266 5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.022 -13.804 6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.687 -12.116 7.434 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.659 -13.243 7.143 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.609 -14.582 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.089 -14.052 4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.028 -13.462 3.447 1.00 0.00 H new ATOM 936 N ALA A 59 1.541 -10.183 7.207 1.00 0.00 N ATOM 937 CA ALA A 59 1.985 -10.039 8.588 1.00 0.00 C ATOM 938 C ALA A 59 1.924 -8.582 9.034 1.00 0.00 C ATOM 939 O ALA A 59 1.402 -8.274 10.106 1.00 0.00 O ATOM 940 CB ALA A 59 3.396 -10.584 8.748 1.00 0.00 C ATOM 0 H ALA A 59 2.230 -10.605 6.584 1.00 0.00 H new ATOM 0 HA ALA A 59 1.311 -10.615 9.223 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.715 -10.470 9.784 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.411 -11.640 8.478 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.075 -10.033 8.097 1.00 0.00 H new ATOM 946 N GLN A 60 2.461 -7.691 8.207 1.00 0.00 N ATOM 947 CA GLN A 60 2.468 -6.267 8.519 1.00 0.00 C ATOM 948 C GLN A 60 1.049 -5.750 8.734 1.00 0.00 C ATOM 949 O GLN A 60 0.791 -4.984 9.663 1.00 0.00 O ATOM 950 CB GLN A 60 3.145 -5.481 7.395 1.00 0.00 C ATOM 951 CG GLN A 60 4.649 -5.692 7.326 1.00 0.00 C ATOM 952 CD GLN A 60 5.370 -4.538 6.657 1.00 0.00 C ATOM 953 OE1 GLN A 60 6.232 -3.896 7.258 1.00 0.00 O ATOM 954 NE2 GLN A 60 5.020 -4.268 5.405 1.00 0.00 N ATOM 0 H GLN A 60 2.897 -7.930 7.316 1.00 0.00 H new ATOM 0 HA GLN A 60 3.030 -6.125 9.442 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.702 -5.771 6.442 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.941 -4.419 7.532 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.040 -5.824 8.335 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.858 -6.612 6.780 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.301 -4.826 4.945 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.471 -3.503 4.903 1.00 0.00 H new ATOM 963 N PHE A 61 0.133 -6.173 7.869 1.00 0.00 N ATOM 964 CA PHE A 61 -1.260 -5.751 7.964 1.00 0.00 C ATOM 965 C PHE A 61 -1.907 -6.293 9.235 1.00 0.00 C ATOM 966 O PHE A 61 -2.739 -5.628 9.853 1.00 0.00 O ATOM 967 CB PHE A 61 -2.043 -6.225 6.737 1.00 0.00 C ATOM 968 CG PHE A 61 -3.490 -5.824 6.759 1.00 0.00 C ATOM 969 CD1 PHE A 61 -3.856 -4.513 7.014 1.00 0.00 C ATOM 970 CD2 PHE A 61 -4.485 -6.760 6.524 1.00 0.00 C ATOM 971 CE1 PHE A 61 -5.187 -4.141 7.034 1.00 0.00 C ATOM 972 CE2 PHE A 61 -5.817 -6.394 6.542 1.00 0.00 C ATOM 973 CZ PHE A 61 -6.169 -5.083 6.799 1.00 0.00 C ATOM 0 H PHE A 61 0.330 -6.807 7.095 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.282 -4.662 8.002 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.576 -5.821 5.839 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.976 -7.311 6.670 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.092 -3.772 7.199 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.216 -7.787 6.325 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.459 -3.115 7.233 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.583 -7.132 6.355 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.210 -4.796 6.816 1.00 0.00 H new