USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 493 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 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 172:sc= -1.59 (180deg=-1.75) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 154:sc= -2.7 (180deg=-3.46!) USER MOD Single : A 35 HIS : no HD1:sc= -0.955 X(o=-0.95,f=-1.1) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -4.91! C(o=-4.9!,f=-4.6!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 66 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-0.47) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -135:sc= 0.996 (180deg=-1.62) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 104:sc= -0.109 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -1.178 -6.766 -17.419 1.00 0.00 N ATOM 67 CA ARG A 8 -2.543 -7.222 -17.183 1.00 0.00 C ATOM 68 C ARG A 8 -3.388 -7.083 -18.445 1.00 0.00 C ATOM 69 O ARG A 8 -3.543 -5.986 -18.982 1.00 0.00 O ATOM 70 CB ARG A 8 -3.178 -6.427 -16.041 1.00 0.00 C ATOM 71 CG ARG A 8 -2.902 -7.010 -14.665 1.00 0.00 C ATOM 72 CD ARG A 8 -2.704 -5.918 -13.625 1.00 0.00 C ATOM 73 NE ARG A 8 -1.312 -5.815 -13.197 1.00 0.00 N ATOM 74 CZ ARG A 8 -0.814 -4.760 -12.561 1.00 0.00 C ATOM 75 NH1 ARG A 8 -1.592 -3.724 -12.280 1.00 0.00 N ATOM 76 NH2 ARG A 8 0.463 -4.741 -12.203 1.00 0.00 N ATOM 0 HA ARG A 8 -2.505 -8.276 -16.906 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.807 -5.402 -16.073 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.256 -6.381 -16.197 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.732 -7.651 -14.367 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.013 -7.639 -14.707 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.028 -4.962 -14.037 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.335 -6.123 -12.760 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.687 -6.596 -13.397 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.575 -3.736 -12.552 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.208 -2.915 -11.792 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.064 -5.537 -12.416 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.844 -3.930 -11.715 1.00 0.00 H new ATOM 90 N GLU A 9 -3.931 -8.202 -18.914 1.00 0.00 N ATOM 91 CA GLU A 9 -4.759 -8.205 -20.114 1.00 0.00 C ATOM 92 C GLU A 9 -6.209 -8.539 -19.774 1.00 0.00 C ATOM 93 O GLU A 9 -6.499 -9.076 -18.705 1.00 0.00 O ATOM 94 CB GLU A 9 -4.218 -9.210 -21.132 1.00 0.00 C ATOM 95 CG GLU A 9 -2.912 -8.780 -21.778 1.00 0.00 C ATOM 96 CD GLU A 9 -2.679 -9.441 -23.122 1.00 0.00 C ATOM 97 OE1 GLU A 9 -2.158 -10.576 -23.143 1.00 0.00 O ATOM 98 OE2 GLU A 9 -3.020 -8.824 -24.153 1.00 0.00 O ATOM 0 H GLU A 9 -3.812 -9.118 -18.481 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.727 -7.206 -20.549 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.070 -10.170 -20.638 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.965 -9.364 -21.911 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.914 -7.697 -21.905 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.085 -9.021 -21.111 1.00 0.00 H new ATOM 105 N MET A 10 -7.115 -8.216 -20.691 1.00 0.00 N ATOM 106 CA MET A 10 -8.535 -8.482 -20.489 1.00 0.00 C ATOM 107 C MET A 10 -9.021 -9.580 -21.429 1.00 0.00 C ATOM 108 O MET A 10 -8.447 -9.797 -22.496 1.00 0.00 O ATOM 109 CB MET A 10 -9.351 -7.207 -20.709 1.00 0.00 C ATOM 110 CG MET A 10 -8.962 -6.069 -19.779 1.00 0.00 C ATOM 111 SD MET A 10 -7.692 -5.000 -20.483 1.00 0.00 S ATOM 112 CE MET A 10 -8.352 -3.383 -20.088 1.00 0.00 C ATOM 0 H MET A 10 -6.892 -7.770 -21.581 1.00 0.00 H new ATOM 0 HA MET A 10 -8.674 -8.820 -19.462 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.228 -6.880 -21.741 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.408 -7.433 -20.570 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.846 -5.474 -19.550 1.00 0.00 H new ATOM 0 HG3 MET A 10 -8.602 -6.482 -18.837 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.676 -2.613 -20.460 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.329 -3.265 -20.556 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.453 -3.285 -19.007 1.00 0.00 H new ATOM 122 N GLY A 11 -10.084 -10.270 -21.027 1.00 0.00 N ATOM 123 CA GLY A 11 -10.629 -11.338 -21.846 1.00 0.00 C ATOM 124 C GLY A 11 -11.998 -11.787 -21.376 1.00 0.00 C ATOM 125 O GLY A 11 -12.381 -11.544 -20.231 1.00 0.00 O ATOM 0 H GLY A 11 -10.578 -10.109 -20.149 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.696 -11.001 -22.880 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.946 -12.188 -21.831 1.00 0.00 H new ATOM 129 N VAL A 12 -12.739 -12.445 -22.262 1.00 0.00 N ATOM 130 CA VAL A 12 -14.074 -12.929 -21.932 1.00 0.00 C ATOM 131 C VAL A 12 -14.045 -14.404 -21.548 1.00 0.00 C ATOM 132 O VAL A 12 -13.264 -15.183 -22.096 1.00 0.00 O ATOM 133 CB VAL A 12 -15.048 -12.736 -23.110 1.00 0.00 C ATOM 134 CG1 VAL A 12 -15.273 -11.257 -23.381 1.00 0.00 C ATOM 135 CG2 VAL A 12 -14.526 -13.441 -24.353 1.00 0.00 C ATOM 0 H VAL A 12 -12.437 -12.655 -23.213 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.422 -12.342 -21.082 1.00 0.00 H new ATOM 0 HB VAL A 12 -16.006 -13.181 -22.843 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.964 -11.141 -24.216 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.694 -10.784 -22.494 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.323 -10.784 -23.628 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.226 -13.294 -25.175 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.555 -13.027 -24.625 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.422 -14.507 -24.150 1.00 0.00 H new ATOM 145 N ILE A 13 -14.899 -14.781 -20.603 1.00 0.00 N ATOM 146 CA ILE A 13 -14.972 -16.163 -20.146 1.00 0.00 C ATOM 147 C ILE A 13 -15.712 -17.036 -21.153 1.00 0.00 C ATOM 148 O ILE A 13 -16.862 -16.766 -21.497 1.00 0.00 O ATOM 149 CB ILE A 13 -15.673 -16.268 -18.779 1.00 0.00 C ATOM 150 CG1 ILE A 13 -14.995 -15.348 -17.761 1.00 0.00 C ATOM 151 CG2 ILE A 13 -15.663 -17.708 -18.288 1.00 0.00 C ATOM 152 CD1 ILE A 13 -13.746 -15.942 -17.148 1.00 0.00 C ATOM 0 H ILE A 13 -15.551 -14.148 -20.139 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.946 -16.517 -20.046 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.709 -15.951 -18.894 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.739 -14.407 -18.248 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.704 -15.113 -16.967 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.162 -17.766 -17.321 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.186 -18.341 -19.005 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.633 -18.051 -18.186 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.319 -15.236 -16.436 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -13.999 -16.868 -16.632 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.019 -16.151 -17.933 1.00 0.00 H new ATOM 164 N ALA A 14 -15.045 -18.087 -21.620 1.00 0.00 N ATOM 165 CA ALA A 14 -15.641 -19.003 -22.585 1.00 0.00 C ATOM 166 C ALA A 14 -16.259 -20.210 -21.887 1.00 0.00 C ATOM 167 O ALA A 14 -17.282 -20.735 -22.324 1.00 0.00 O ATOM 168 CB ALA A 14 -14.600 -19.453 -23.599 1.00 0.00 C ATOM 0 H ALA A 14 -14.092 -18.325 -21.346 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.436 -18.472 -23.109 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.059 -20.137 -24.313 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.208 -18.584 -24.128 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.785 -19.961 -23.083 1.00 0.00 H new ATOM 174 N ALA A 15 -15.629 -20.645 -20.800 1.00 0.00 N ATOM 175 CA ALA A 15 -16.118 -21.789 -20.041 1.00 0.00 C ATOM 176 C ALA A 15 -16.256 -21.448 -18.561 1.00 0.00 C ATOM 177 O ALA A 15 -15.652 -20.492 -18.076 1.00 0.00 O ATOM 178 CB ALA A 15 -15.189 -22.980 -20.226 1.00 0.00 C ATOM 0 H ALA A 15 -14.779 -20.222 -20.426 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.106 -22.050 -20.420 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.566 -23.828 -19.654 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.144 -23.246 -21.282 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.190 -22.720 -19.875 1.00 0.00 H new ATOM 184 N MET A 16 -17.056 -22.235 -17.849 1.00 0.00 N ATOM 185 CA MET A 16 -17.273 -22.016 -16.424 1.00 0.00 C ATOM 186 C MET A 16 -17.691 -23.309 -15.732 1.00 0.00 C ATOM 187 O MET A 16 -18.585 -23.310 -14.887 1.00 0.00 O ATOM 188 CB MET A 16 -18.339 -20.940 -16.208 1.00 0.00 C ATOM 189 CG MET A 16 -17.855 -19.533 -16.517 1.00 0.00 C ATOM 190 SD MET A 16 -18.641 -18.285 -15.481 1.00 0.00 S ATOM 191 CE MET A 16 -18.042 -18.763 -13.862 1.00 0.00 C ATOM 0 H MET A 16 -17.565 -23.030 -18.236 1.00 0.00 H new ATOM 0 HA MET A 16 -16.333 -21.679 -15.987 1.00 0.00 H new ATOM 0 HB2 MET A 16 -19.202 -21.164 -16.835 1.00 0.00 H new ATOM 0 HB3 MET A 16 -18.678 -20.979 -15.173 1.00 0.00 H new ATOM 0 HG2 MET A 16 -16.775 -19.486 -16.379 1.00 0.00 H new ATOM 0 HG3 MET A 16 -18.053 -19.307 -17.565 1.00 0.00 H new ATOM 0 HE1 MET A 16 -18.324 -18.005 -13.131 1.00 0.00 H new ATOM 0 HE2 MET A 16 -18.481 -19.720 -13.580 1.00 0.00 H new ATOM 0 HE3 MET A 16 -16.956 -18.855 -13.888 1.00 0.00 H new ATOM 201 N ARG A 17 -17.038 -24.408 -16.097 1.00 0.00 N ATOM 202 CA ARG A 17 -17.344 -25.708 -15.512 1.00 0.00 C ATOM 203 C ARG A 17 -17.147 -25.683 -13.999 1.00 0.00 C ATOM 204 O ARG A 17 -16.439 -24.826 -13.469 1.00 0.00 O ATOM 205 CB ARG A 17 -16.461 -26.791 -16.135 1.00 0.00 C ATOM 206 CG ARG A 17 -17.030 -27.378 -17.416 1.00 0.00 C ATOM 207 CD ARG A 17 -17.022 -26.360 -18.546 1.00 0.00 C ATOM 208 NE ARG A 17 -18.164 -25.453 -18.473 1.00 0.00 N ATOM 209 CZ ARG A 17 -18.587 -24.719 -19.497 1.00 0.00 C ATOM 210 NH1 ARG A 17 -17.966 -24.787 -20.666 1.00 0.00 N ATOM 211 NH2 ARG A 17 -19.634 -23.917 -19.352 1.00 0.00 N ATOM 0 H ARG A 17 -16.294 -24.424 -16.795 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.389 -25.936 -15.721 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.477 -26.370 -16.344 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.318 -27.592 -15.410 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.447 -28.252 -17.708 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.050 -27.720 -17.240 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.098 -25.783 -18.508 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.033 -26.881 -19.503 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.665 -25.379 -17.587 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.162 -25.404 -20.781 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.292 -24.223 -21.450 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -20.115 -23.863 -18.454 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.958 -23.354 -20.138 1.00 0.00 H new ATOM 225 N ASP A 18 -17.777 -26.628 -13.311 1.00 0.00 N ATOM 226 CA ASP A 18 -17.671 -26.716 -11.859 1.00 0.00 C ATOM 227 C ASP A 18 -16.238 -27.025 -11.436 1.00 0.00 C ATOM 228 O ASP A 18 -15.820 -28.182 -11.420 1.00 0.00 O ATOM 229 CB ASP A 18 -18.617 -27.790 -11.320 1.00 0.00 C ATOM 230 CG ASP A 18 -19.498 -27.275 -10.199 1.00 0.00 C ATOM 231 OD1 ASP A 18 -19.013 -27.199 -9.050 1.00 0.00 O ATOM 232 OD2 ASP A 18 -20.673 -26.949 -10.470 1.00 0.00 O ATOM 0 H ASP A 18 -18.367 -27.344 -13.735 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.955 -25.750 -11.441 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -19.245 -28.158 -12.132 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -18.033 -28.637 -10.960 1.00 0.00 H new ATOM 237 N GLY A 19 -15.488 -25.981 -11.095 1.00 0.00 N ATOM 238 CA GLY A 19 -14.110 -26.162 -10.679 1.00 0.00 C ATOM 239 C GLY A 19 -13.162 -25.209 -11.381 1.00 0.00 C ATOM 240 O GLY A 19 -12.352 -24.541 -10.738 1.00 0.00 O ATOM 0 H GLY A 19 -15.811 -25.013 -11.100 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.037 -26.014 -9.602 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.804 -27.188 -10.882 1.00 0.00 H new ATOM 244 N PHE A 20 -13.261 -25.147 -12.705 1.00 0.00 N ATOM 245 CA PHE A 20 -12.404 -24.272 -13.496 1.00 0.00 C ATOM 246 C PHE A 20 -13.137 -23.768 -14.736 1.00 0.00 C ATOM 247 O PHE A 20 -14.299 -24.103 -14.962 1.00 0.00 O ATOM 248 CB PHE A 20 -11.128 -25.009 -13.907 1.00 0.00 C ATOM 249 CG PHE A 20 -11.351 -26.044 -14.973 1.00 0.00 C ATOM 250 CD1 PHE A 20 -11.345 -25.690 -16.313 1.00 0.00 C ATOM 251 CD2 PHE A 20 -11.564 -27.370 -14.635 1.00 0.00 C ATOM 252 CE1 PHE A 20 -11.551 -26.641 -17.295 1.00 0.00 C ATOM 253 CE2 PHE A 20 -11.770 -28.325 -15.612 1.00 0.00 C ATOM 254 CZ PHE A 20 -11.762 -27.960 -16.944 1.00 0.00 C ATOM 0 H PHE A 20 -13.926 -25.693 -13.253 1.00 0.00 H new ATOM 0 HA PHE A 20 -12.137 -23.413 -12.880 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -10.397 -24.283 -14.264 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.697 -25.490 -13.029 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.178 -24.660 -16.593 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -11.569 -27.661 -13.595 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -11.547 -26.353 -18.336 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -11.937 -29.355 -15.335 1.00 0.00 H new ATOM 0 HZ PHE A 20 -11.920 -28.705 -17.710 1.00 0.00 H new ATOM 264 N GLY A 21 -12.448 -22.961 -15.536 1.00 0.00 N ATOM 265 CA GLY A 21 -13.048 -22.424 -16.743 1.00 0.00 C ATOM 266 C GLY A 21 -12.015 -22.041 -17.784 1.00 0.00 C ATOM 267 O GLY A 21 -10.944 -22.643 -17.857 1.00 0.00 O ATOM 0 H GLY A 21 -11.485 -22.669 -15.370 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.729 -23.163 -17.166 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.645 -21.548 -16.489 1.00 0.00 H new ATOM 271 N PHE A 22 -12.336 -21.037 -18.593 1.00 0.00 N ATOM 272 CA PHE A 22 -11.429 -20.576 -19.637 1.00 0.00 C ATOM 273 C PHE A 22 -11.719 -19.125 -20.009 1.00 0.00 C ATOM 274 O PHE A 22 -12.877 -18.715 -20.097 1.00 0.00 O ATOM 275 CB PHE A 22 -11.549 -21.465 -20.877 1.00 0.00 C ATOM 276 CG PHE A 22 -10.930 -22.823 -20.703 1.00 0.00 C ATOM 277 CD1 PHE A 22 -9.565 -22.955 -20.500 1.00 0.00 C ATOM 278 CD2 PHE A 22 -11.712 -23.966 -20.741 1.00 0.00 C ATOM 279 CE1 PHE A 22 -8.993 -24.203 -20.341 1.00 0.00 C ATOM 280 CE2 PHE A 22 -11.145 -25.216 -20.582 1.00 0.00 C ATOM 281 CZ PHE A 22 -9.784 -25.335 -20.381 1.00 0.00 C ATOM 0 H PHE A 22 -13.218 -20.527 -18.545 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.411 -20.638 -19.251 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -12.603 -21.584 -21.128 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.075 -20.964 -21.721 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.942 -22.073 -20.466 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -12.777 -23.879 -20.897 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.928 -24.293 -20.186 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -11.766 -26.099 -20.615 1.00 0.00 H new ATOM 0 HZ PHE A 22 -9.339 -26.311 -20.255 1.00 0.00 H new ATOM 291 N ILE A 23 -10.660 -18.352 -20.225 1.00 0.00 N ATOM 292 CA ILE A 23 -10.801 -16.948 -20.588 1.00 0.00 C ATOM 293 C ILE A 23 -10.154 -16.661 -21.939 1.00 0.00 C ATOM 294 O ILE A 23 -8.936 -16.754 -22.089 1.00 0.00 O ATOM 295 CB ILE A 23 -10.173 -16.026 -19.525 1.00 0.00 C ATOM 296 CG1 ILE A 23 -10.587 -16.474 -18.122 1.00 0.00 C ATOM 297 CG2 ILE A 23 -10.582 -14.581 -19.768 1.00 0.00 C ATOM 298 CD1 ILE A 23 -9.453 -16.449 -17.120 1.00 0.00 C ATOM 0 H ILE A 23 -9.695 -18.675 -20.155 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.870 -16.744 -20.649 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.088 -16.093 -19.602 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.390 -15.829 -17.766 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.991 -17.485 -18.177 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.130 -13.942 -19.009 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.242 -14.268 -20.755 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.667 -14.496 -19.715 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.819 -16.779 -16.148 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.658 -17.116 -17.453 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.064 -15.434 -17.036 1.00 0.00 H new ATOM 310 N LYS A 24 -10.978 -16.310 -22.920 1.00 0.00 N ATOM 311 CA LYS A 24 -10.489 -16.006 -24.259 1.00 0.00 C ATOM 312 C LYS A 24 -9.955 -14.579 -24.332 1.00 0.00 C ATOM 313 O LYS A 24 -10.572 -13.648 -23.814 1.00 0.00 O ATOM 314 CB LYS A 24 -11.605 -16.197 -25.289 1.00 0.00 C ATOM 315 CG LYS A 24 -11.214 -15.778 -26.695 1.00 0.00 C ATOM 316 CD LYS A 24 -12.436 -15.538 -27.566 1.00 0.00 C ATOM 317 CE LYS A 24 -12.830 -14.070 -27.581 1.00 0.00 C ATOM 318 NZ LYS A 24 -14.220 -13.874 -28.079 1.00 0.00 N ATOM 0 H LYS A 24 -11.989 -16.229 -22.812 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.674 -16.693 -24.485 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.901 -17.246 -25.301 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.478 -15.623 -24.977 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.613 -14.869 -26.651 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.591 -16.550 -27.146 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.230 -15.871 -28.583 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.270 -16.136 -27.198 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.744 -13.660 -26.575 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.136 -13.514 -28.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.451 -12.860 -28.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.296 -14.242 -29.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.885 -14.383 -27.462 1.00 0.00 H new ATOM 332 N CYS A 25 -8.806 -14.414 -24.979 1.00 0.00 N ATOM 333 CA CYS A 25 -8.189 -13.100 -25.120 1.00 0.00 C ATOM 334 C CYS A 25 -8.627 -12.431 -26.419 1.00 0.00 C ATOM 335 O CYS A 25 -8.730 -13.080 -27.460 1.00 0.00 O ATOM 336 CB CYS A 25 -6.665 -13.222 -25.083 1.00 0.00 C ATOM 337 SG CYS A 25 -5.972 -13.301 -23.415 1.00 0.00 S ATOM 0 H CYS A 25 -8.283 -15.174 -25.414 1.00 0.00 H new ATOM 0 HA CYS A 25 -8.516 -12.480 -24.285 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.369 -14.117 -25.631 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.230 -12.370 -25.606 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.678 -13.405 -23.487 1.00 0.00 H new ATOM 343 N VAL A 26 -8.885 -11.129 -26.350 1.00 0.00 N ATOM 344 CA VAL A 26 -9.312 -10.372 -27.521 1.00 0.00 C ATOM 345 C VAL A 26 -8.214 -10.327 -28.577 1.00 0.00 C ATOM 346 O VAL A 26 -8.491 -10.336 -29.777 1.00 0.00 O ATOM 347 CB VAL A 26 -9.705 -8.931 -27.144 1.00 0.00 C ATOM 348 CG1 VAL A 26 -11.056 -8.911 -26.445 1.00 0.00 C ATOM 349 CG2 VAL A 26 -8.633 -8.298 -26.270 1.00 0.00 C ATOM 0 H VAL A 26 -8.806 -10.577 -25.496 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.183 -10.884 -27.929 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.788 -8.344 -28.059 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.317 -7.885 -26.186 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.816 -9.322 -27.110 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.005 -9.512 -25.537 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.927 -7.280 -26.013 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.515 -8.883 -25.358 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.688 -8.277 -26.812 1.00 0.00 H new ATOM 359 N ASP A 27 -6.966 -10.280 -28.124 1.00 0.00 N ATOM 360 CA ASP A 27 -5.824 -10.236 -29.030 1.00 0.00 C ATOM 361 C ASP A 27 -5.308 -11.642 -29.323 1.00 0.00 C ATOM 362 O ASP A 27 -5.047 -11.991 -30.474 1.00 0.00 O ATOM 363 CB ASP A 27 -4.705 -9.382 -28.434 1.00 0.00 C ATOM 364 CG ASP A 27 -3.576 -9.138 -29.416 1.00 0.00 C ATOM 365 OD1 ASP A 27 -3.784 -8.370 -30.378 1.00 0.00 O ATOM 366 OD2 ASP A 27 -2.486 -9.716 -29.223 1.00 0.00 O ATOM 0 H ASP A 27 -6.719 -10.271 -27.134 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.152 -9.787 -29.967 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.115 -8.425 -28.112 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.310 -9.875 -27.546 1.00 0.00 H new ATOM 371 N ARG A 28 -5.163 -12.444 -28.273 1.00 0.00 N ATOM 372 CA ARG A 28 -4.676 -13.810 -28.417 1.00 0.00 C ATOM 373 C ARG A 28 -5.809 -14.753 -28.812 1.00 0.00 C ATOM 374 O ARG A 28 -6.967 -14.530 -28.458 1.00 0.00 O ATOM 375 CB ARG A 28 -4.034 -14.285 -27.112 1.00 0.00 C ATOM 376 CG ARG A 28 -2.527 -14.459 -27.203 1.00 0.00 C ATOM 377 CD ARG A 28 -1.935 -14.897 -25.872 1.00 0.00 C ATOM 378 NE ARG A 28 -0.768 -14.101 -25.503 1.00 0.00 N ATOM 379 CZ ARG A 28 0.398 -14.169 -26.137 1.00 0.00 C ATOM 380 NH1 ARG A 28 0.550 -14.992 -27.165 1.00 0.00 N ATOM 381 NH2 ARG A 28 1.414 -13.413 -25.742 1.00 0.00 N ATOM 0 H ARG A 28 -5.376 -12.171 -27.314 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.926 -13.820 -29.208 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.262 -13.568 -26.323 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.484 -15.234 -26.820 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.291 -15.198 -27.968 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.069 -13.520 -27.515 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.693 -14.812 -25.093 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.653 -15.948 -25.929 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.852 -13.458 -24.716 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.229 -15.575 -27.471 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.446 -15.042 -27.650 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.301 -12.779 -24.951 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.309 -13.466 -26.229 1.00 0.00 H new ATOM 395 N ASP A 29 -5.467 -15.805 -29.547 1.00 0.00 N ATOM 396 CA ASP A 29 -6.455 -16.782 -29.990 1.00 0.00 C ATOM 397 C ASP A 29 -6.423 -18.025 -29.107 1.00 0.00 C ATOM 398 O ASP A 29 -6.589 -19.146 -29.589 1.00 0.00 O ATOM 399 CB ASP A 29 -6.203 -17.169 -31.448 1.00 0.00 C ATOM 400 CG ASP A 29 -6.068 -15.961 -32.354 1.00 0.00 C ATOM 401 OD1 ASP A 29 -5.141 -15.155 -32.132 1.00 0.00 O ATOM 402 OD2 ASP A 29 -6.891 -15.821 -33.283 1.00 0.00 O ATOM 0 H ASP A 29 -4.513 -16.003 -29.849 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.442 -16.327 -29.909 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.295 -17.769 -31.510 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.023 -17.795 -31.801 1.00 0.00 H new ATOM 407 N VAL A 30 -6.209 -17.819 -27.812 1.00 0.00 N ATOM 408 CA VAL A 30 -6.155 -18.924 -26.861 1.00 0.00 C ATOM 409 C VAL A 30 -6.898 -18.578 -25.575 1.00 0.00 C ATOM 410 O VAL A 30 -7.357 -17.450 -25.395 1.00 0.00 O ATOM 411 CB VAL A 30 -4.701 -19.297 -26.516 1.00 0.00 C ATOM 412 CG1 VAL A 30 -3.947 -19.721 -27.767 1.00 0.00 C ATOM 413 CG2 VAL A 30 -4.001 -18.133 -25.830 1.00 0.00 C ATOM 0 H VAL A 30 -6.070 -16.898 -27.397 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.637 -19.777 -27.338 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.715 -20.141 -25.826 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.922 -19.981 -27.503 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.438 -20.587 -28.212 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.940 -18.900 -28.484 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.975 -18.414 -25.593 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.997 -17.269 -26.494 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.530 -17.881 -24.911 1.00 0.00 H new ATOM 423 N ARG A 31 -7.013 -19.557 -24.684 1.00 0.00 N ATOM 424 CA ARG A 31 -7.701 -19.357 -23.414 1.00 0.00 C ATOM 425 C ARG A 31 -6.708 -19.327 -22.256 1.00 0.00 C ATOM 426 O ARG A 31 -5.546 -19.700 -22.412 1.00 0.00 O ATOM 427 CB ARG A 31 -8.731 -20.466 -23.188 1.00 0.00 C ATOM 428 CG ARG A 31 -8.129 -21.861 -23.169 1.00 0.00 C ATOM 429 CD ARG A 31 -9.123 -22.903 -23.658 1.00 0.00 C ATOM 430 NE ARG A 31 -8.546 -24.245 -23.674 1.00 0.00 N ATOM 431 CZ ARG A 31 -9.256 -25.348 -23.886 1.00 0.00 C ATOM 432 NH1 ARG A 31 -10.563 -25.268 -24.098 1.00 0.00 N ATOM 433 NH2 ARG A 31 -8.659 -26.533 -23.885 1.00 0.00 N ATOM 0 H ARG A 31 -6.639 -20.496 -24.818 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.214 -18.396 -23.455 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.243 -20.287 -22.242 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.485 -20.415 -23.973 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.239 -21.883 -23.797 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.811 -22.107 -22.156 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.003 -22.894 -23.015 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.459 -22.641 -24.661 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.543 -24.341 -23.514 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.025 -24.359 -24.099 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.106 -26.116 -24.261 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.654 -26.598 -23.721 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.205 -27.379 -24.048 1.00 0.00 H new ATOM 447 N MET A 32 -7.175 -18.879 -21.095 1.00 0.00 N ATOM 448 CA MET A 32 -6.327 -18.801 -19.910 1.00 0.00 C ATOM 449 C MET A 32 -6.912 -19.626 -18.768 1.00 0.00 C ATOM 450 O MET A 32 -7.633 -19.104 -17.918 1.00 0.00 O ATOM 451 CB MET A 32 -6.162 -17.345 -19.471 1.00 0.00 C ATOM 452 CG MET A 32 -5.140 -17.157 -18.362 1.00 0.00 C ATOM 453 SD MET A 32 -3.811 -16.030 -18.825 1.00 0.00 S ATOM 454 CE MET A 32 -2.377 -17.069 -18.558 1.00 0.00 C ATOM 0 H MET A 32 -8.134 -18.565 -20.949 1.00 0.00 H new ATOM 0 HA MET A 32 -5.349 -19.209 -20.165 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.866 -16.746 -20.332 1.00 0.00 H new ATOM 0 HB3 MET A 32 -7.126 -16.964 -19.134 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.641 -16.775 -17.472 1.00 0.00 H new ATOM 0 HG3 MET A 32 -4.714 -18.125 -18.098 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.561 -16.734 -19.198 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.070 -17.004 -17.514 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.626 -18.102 -18.800 1.00 0.00 H new ATOM 464 N PHE A 33 -6.597 -20.917 -18.755 1.00 0.00 N ATOM 465 CA PHE A 33 -7.092 -21.814 -17.718 1.00 0.00 C ATOM 466 C PHE A 33 -6.911 -21.198 -16.334 1.00 0.00 C ATOM 467 O PHE A 33 -5.816 -21.219 -15.771 1.00 0.00 O ATOM 468 CB PHE A 33 -6.367 -23.160 -17.789 1.00 0.00 C ATOM 469 CG PHE A 33 -6.304 -23.877 -16.470 1.00 0.00 C ATOM 470 CD1 PHE A 33 -7.361 -24.664 -16.044 1.00 0.00 C ATOM 471 CD2 PHE A 33 -5.187 -23.763 -15.658 1.00 0.00 C ATOM 472 CE1 PHE A 33 -7.306 -25.325 -14.831 1.00 0.00 C ATOM 473 CE2 PHE A 33 -5.126 -24.423 -14.445 1.00 0.00 C ATOM 474 CZ PHE A 33 -6.188 -25.204 -14.030 1.00 0.00 C ATOM 0 H PHE A 33 -6.001 -21.365 -19.451 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.157 -21.974 -17.889 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.871 -23.797 -18.516 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.353 -22.999 -18.155 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.238 -24.762 -16.666 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.355 -23.152 -15.976 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.137 -25.936 -14.510 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.249 -24.328 -13.822 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.143 -25.718 -13.081 1.00 0.00 H new ATOM 484 N PHE A 34 -7.992 -20.649 -15.791 1.00 0.00 N ATOM 485 CA PHE A 34 -7.953 -20.025 -14.473 1.00 0.00 C ATOM 486 C PHE A 34 -8.535 -20.956 -13.413 1.00 0.00 C ATOM 487 O PHE A 34 -9.211 -21.934 -13.733 1.00 0.00 O ATOM 488 CB PHE A 34 -8.727 -18.705 -14.488 1.00 0.00 C ATOM 489 CG PHE A 34 -10.211 -18.881 -14.634 1.00 0.00 C ATOM 490 CD1 PHE A 34 -10.787 -19.009 -15.888 1.00 0.00 C ATOM 491 CD2 PHE A 34 -11.031 -18.918 -13.517 1.00 0.00 C ATOM 492 CE1 PHE A 34 -12.153 -19.171 -16.026 1.00 0.00 C ATOM 493 CE2 PHE A 34 -12.397 -19.080 -13.649 1.00 0.00 C ATOM 494 CZ PHE A 34 -12.959 -19.206 -14.905 1.00 0.00 C ATOM 0 H PHE A 34 -8.906 -20.623 -16.243 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.911 -19.825 -14.224 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.523 -18.163 -13.565 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.360 -18.087 -15.308 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.161 -18.982 -16.768 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.598 -18.819 -12.533 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -12.589 -19.270 -17.009 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.025 -19.108 -12.771 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.027 -19.332 -15.010 1.00 0.00 H new ATOM 504 N HIS A 35 -8.265 -20.645 -12.149 1.00 0.00 N ATOM 505 CA HIS A 35 -8.761 -21.453 -11.041 1.00 0.00 C ATOM 506 C HIS A 35 -9.810 -20.689 -10.238 1.00 0.00 C ATOM 507 O HIS A 35 -9.827 -19.458 -10.233 1.00 0.00 O ATOM 508 CB HIS A 35 -7.607 -21.869 -10.129 1.00 0.00 C ATOM 509 CG HIS A 35 -7.077 -23.239 -10.420 1.00 0.00 C ATOM 510 ND1 HIS A 35 -5.737 -23.504 -10.611 1.00 0.00 N ATOM 511 CD2 HIS A 35 -7.716 -24.426 -10.550 1.00 0.00 C ATOM 512 CE1 HIS A 35 -5.575 -24.793 -10.848 1.00 0.00 C ATOM 513 NE2 HIS A 35 -6.760 -25.375 -10.816 1.00 0.00 N ATOM 0 H HIS A 35 -7.706 -19.840 -11.867 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.227 -22.347 -11.456 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.797 -21.146 -10.229 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.942 -21.831 -9.092 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.779 -24.595 -10.461 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.633 -25.287 -11.036 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.936 -26.369 -10.965 1.00 0.00 H new ATOM 521 N PHE A 36 -10.683 -21.427 -9.561 1.00 0.00 N ATOM 522 CA PHE A 36 -11.736 -20.819 -8.756 1.00 0.00 C ATOM 523 C PHE A 36 -11.206 -20.412 -7.384 1.00 0.00 C ATOM 524 O PHE A 36 -11.886 -20.571 -6.371 1.00 0.00 O ATOM 525 CB PHE A 36 -12.908 -21.790 -8.594 1.00 0.00 C ATOM 526 CG PHE A 36 -14.006 -21.577 -9.597 1.00 0.00 C ATOM 527 CD1 PHE A 36 -13.745 -21.653 -10.955 1.00 0.00 C ATOM 528 CD2 PHE A 36 -15.298 -21.300 -9.181 1.00 0.00 C ATOM 529 CE1 PHE A 36 -14.753 -21.457 -11.880 1.00 0.00 C ATOM 530 CE2 PHE A 36 -16.310 -21.103 -10.101 1.00 0.00 C ATOM 531 CZ PHE A 36 -16.038 -21.183 -11.453 1.00 0.00 C ATOM 0 H PHE A 36 -10.682 -22.447 -9.554 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.082 -19.924 -9.273 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.538 -22.811 -8.683 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.319 -21.687 -7.590 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.743 -21.868 -11.295 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -15.517 -21.237 -8.125 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -14.536 -21.518 -12.936 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -17.313 -20.887 -9.763 1.00 0.00 H new ATOM 0 HZ PHE A 36 -16.828 -21.032 -12.174 1.00 0.00 H new ATOM 541 N SER A 37 -9.985 -19.885 -7.361 1.00 0.00 N ATOM 542 CA SER A 37 -9.360 -19.459 -6.115 1.00 0.00 C ATOM 543 C SER A 37 -8.891 -18.010 -6.210 1.00 0.00 C ATOM 544 O SER A 37 -8.858 -17.291 -5.213 1.00 0.00 O ATOM 545 CB SER A 37 -8.178 -20.368 -5.775 1.00 0.00 C ATOM 546 OG SER A 37 -8.526 -21.304 -4.770 1.00 0.00 O ATOM 0 H SER A 37 -9.410 -19.743 -8.191 1.00 0.00 H new ATOM 0 HA SER A 37 -10.104 -19.531 -5.322 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.852 -20.896 -6.671 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.336 -19.764 -5.437 1.00 0.00 H new ATOM 0 HG SER A 37 -7.754 -21.874 -4.572 1.00 0.00 H new ATOM 552 N GLU A 38 -8.530 -17.590 -7.419 1.00 0.00 N ATOM 553 CA GLU A 38 -8.062 -16.228 -7.645 1.00 0.00 C ATOM 554 C GLU A 38 -9.236 -15.257 -7.737 1.00 0.00 C ATOM 555 O GLU A 38 -9.053 -14.040 -7.704 1.00 0.00 O ATOM 556 CB GLU A 38 -7.226 -16.158 -8.925 1.00 0.00 C ATOM 557 CG GLU A 38 -5.925 -16.938 -8.845 1.00 0.00 C ATOM 558 CD GLU A 38 -5.139 -16.636 -7.584 1.00 0.00 C ATOM 559 OE1 GLU A 38 -5.008 -15.443 -7.239 1.00 0.00 O ATOM 560 OE2 GLU A 38 -4.655 -17.591 -6.943 1.00 0.00 O ATOM 0 H GLU A 38 -8.553 -18.173 -8.256 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.440 -15.940 -6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.818 -16.539 -9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.001 -15.114 -9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.143 -18.005 -8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.312 -16.704 -9.715 1.00 0.00 H new ATOM 567 N ILE A 39 -10.441 -15.805 -7.853 1.00 0.00 N ATOM 568 CA ILE A 39 -11.644 -14.989 -7.950 1.00 0.00 C ATOM 569 C ILE A 39 -11.957 -14.310 -6.621 1.00 0.00 C ATOM 570 O ILE A 39 -12.942 -13.581 -6.500 1.00 0.00 O ATOM 571 CB ILE A 39 -12.861 -15.829 -8.383 1.00 0.00 C ATOM 572 CG1 ILE A 39 -12.589 -16.504 -9.729 1.00 0.00 C ATOM 573 CG2 ILE A 39 -14.105 -14.957 -8.464 1.00 0.00 C ATOM 574 CD1 ILE A 39 -13.574 -17.602 -10.064 1.00 0.00 C ATOM 0 H ILE A 39 -10.610 -16.811 -7.882 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.449 -14.229 -8.707 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.033 -16.604 -7.637 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.616 -15.750 -10.516 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.582 -16.921 -9.720 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -14.956 -15.565 -8.771 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.306 -14.518 -7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.945 -14.162 -9.192 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.320 -18.036 -11.031 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -13.531 -18.375 -9.297 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.581 -17.187 -10.105 1.00 0.00 H new ATOM 586 N LEU A 40 -11.111 -14.554 -5.626 1.00 0.00 N ATOM 587 CA LEU A 40 -11.295 -13.964 -4.304 1.00 0.00 C ATOM 588 C LEU A 40 -11.447 -12.450 -4.400 1.00 0.00 C ATOM 589 O LEU A 40 -11.997 -11.813 -3.501 1.00 0.00 O ATOM 590 CB LEU A 40 -10.111 -14.313 -3.400 1.00 0.00 C ATOM 591 CG LEU A 40 -8.722 -14.045 -3.979 1.00 0.00 C ATOM 592 CD1 LEU A 40 -8.451 -12.550 -4.046 1.00 0.00 C ATOM 593 CD2 LEU A 40 -7.655 -14.745 -3.151 1.00 0.00 C ATOM 0 H LEU A 40 -10.292 -15.156 -5.709 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.208 -14.375 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.210 -13.750 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.177 -15.370 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.688 -14.446 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.458 -12.379 -4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.197 -12.073 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.504 -12.125 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.673 -14.543 -3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.688 -14.375 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.838 -15.819 -3.155 1.00 0.00 H new ATOM 605 N ASP A 41 -10.960 -11.879 -5.496 1.00 0.00 N ATOM 606 CA ASP A 41 -11.045 -10.439 -5.711 1.00 0.00 C ATOM 607 C ASP A 41 -12.470 -9.941 -5.495 1.00 0.00 C ATOM 608 O ASP A 41 -12.686 -8.788 -5.123 1.00 0.00 O ATOM 609 CB ASP A 41 -10.575 -10.084 -7.123 1.00 0.00 C ATOM 610 CG ASP A 41 -9.742 -8.818 -7.155 1.00 0.00 C ATOM 611 OD1 ASP A 41 -10.131 -7.835 -6.490 1.00 0.00 O ATOM 612 OD2 ASP A 41 -8.700 -8.811 -7.843 1.00 0.00 O ATOM 0 H ASP A 41 -10.502 -12.391 -6.250 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.395 -9.949 -4.986 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.990 -10.911 -7.527 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.443 -9.961 -7.771 1.00 0.00 H new ATOM 617 N GLY A 42 -13.441 -10.818 -5.733 1.00 0.00 N ATOM 618 CA GLY A 42 -14.834 -10.448 -5.561 1.00 0.00 C ATOM 619 C GLY A 42 -15.528 -10.172 -6.880 1.00 0.00 C ATOM 620 O GLY A 42 -15.481 -9.054 -7.391 1.00 0.00 O ATOM 0 H GLY A 42 -13.288 -11.778 -6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.358 -11.249 -5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.896 -9.562 -4.929 1.00 0.00 H new ATOM 624 N ASN A 43 -16.171 -11.195 -7.434 1.00 0.00 N ATOM 625 CA ASN A 43 -16.876 -11.058 -8.703 1.00 0.00 C ATOM 626 C ASN A 43 -17.329 -12.418 -9.224 1.00 0.00 C ATOM 627 O ASN A 43 -16.507 -13.256 -9.594 1.00 0.00 O ATOM 628 CB ASN A 43 -15.979 -10.376 -9.737 1.00 0.00 C ATOM 629 CG ASN A 43 -16.373 -8.932 -9.983 1.00 0.00 C ATOM 630 OD1 ASN A 43 -17.495 -8.646 -10.402 1.00 0.00 O ATOM 631 ND2 ASN A 43 -15.449 -8.014 -9.724 1.00 0.00 N ATOM 0 H ASN A 43 -16.218 -12.128 -7.024 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.759 -10.442 -8.535 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.944 -10.414 -9.397 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -16.027 -10.928 -10.676 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -15.656 -7.026 -9.871 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.532 -8.297 -9.378 1.00 0.00 H new ATOM 638 N GLN A 44 -18.641 -12.629 -9.251 1.00 0.00 N ATOM 639 CA GLN A 44 -19.202 -13.888 -9.726 1.00 0.00 C ATOM 640 C GLN A 44 -19.159 -13.963 -11.249 1.00 0.00 C ATOM 641 O GLN A 44 -20.132 -13.625 -11.925 1.00 0.00 O ATOM 642 CB GLN A 44 -20.642 -14.046 -9.236 1.00 0.00 C ATOM 643 CG GLN A 44 -20.844 -15.237 -8.314 1.00 0.00 C ATOM 644 CD GLN A 44 -22.305 -15.492 -8.000 1.00 0.00 C ATOM 645 OE1 GLN A 44 -22.832 -15.004 -7.000 1.00 0.00 O ATOM 646 NE2 GLN A 44 -22.969 -16.260 -8.856 1.00 0.00 N ATOM 0 H GLN A 44 -19.335 -11.945 -8.950 1.00 0.00 H new ATOM 0 HA GLN A 44 -18.598 -14.701 -9.323 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.941 -13.138 -8.713 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.301 -14.149 -10.098 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -20.415 -16.126 -8.776 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.301 -15.068 -7.384 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.493 -16.644 -9.672 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.955 -16.466 -8.697 1.00 0.00 H new ATOM 655 N LEU A 45 -18.026 -14.405 -11.783 1.00 0.00 N ATOM 656 CA LEU A 45 -17.856 -14.524 -13.227 1.00 0.00 C ATOM 657 C LEU A 45 -19.137 -15.023 -13.887 1.00 0.00 C ATOM 658 O LEU A 45 -19.951 -15.698 -13.256 1.00 0.00 O ATOM 659 CB LEU A 45 -16.700 -15.473 -13.548 1.00 0.00 C ATOM 660 CG LEU A 45 -15.342 -15.104 -12.949 1.00 0.00 C ATOM 661 CD1 LEU A 45 -14.339 -16.226 -13.168 1.00 0.00 C ATOM 662 CD2 LEU A 45 -14.830 -13.803 -13.551 1.00 0.00 C ATOM 0 H LEU A 45 -17.211 -14.687 -11.238 1.00 0.00 H new ATOM 0 HA LEU A 45 -17.627 -13.535 -13.624 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.969 -16.471 -13.201 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.593 -15.530 -14.631 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.466 -14.961 -11.876 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -13.379 -15.945 -12.735 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -14.701 -17.136 -12.689 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -14.218 -16.402 -14.237 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.863 -13.555 -13.113 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -14.721 -13.919 -14.629 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -15.539 -13.002 -13.342 1.00 0.00 H new ATOM 674 N HIS A 46 -19.308 -14.689 -15.162 1.00 0.00 N ATOM 675 CA HIS A 46 -20.490 -15.106 -15.909 1.00 0.00 C ATOM 676 C HIS A 46 -20.153 -15.319 -17.382 1.00 0.00 C ATOM 677 O HIS A 46 -19.410 -14.539 -17.978 1.00 0.00 O ATOM 678 CB HIS A 46 -21.600 -14.063 -15.773 1.00 0.00 C ATOM 679 CG HIS A 46 -22.722 -14.496 -14.881 1.00 0.00 C ATOM 680 ND1 HIS A 46 -23.453 -15.646 -15.095 1.00 0.00 N ATOM 681 CD2 HIS A 46 -23.235 -13.928 -13.765 1.00 0.00 C ATOM 682 CE1 HIS A 46 -24.369 -15.764 -14.150 1.00 0.00 C ATOM 683 NE2 HIS A 46 -24.258 -14.735 -13.330 1.00 0.00 N ATOM 0 H HIS A 46 -18.644 -14.131 -15.699 1.00 0.00 H new ATOM 0 HA HIS A 46 -20.838 -16.051 -15.493 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.173 -13.139 -15.384 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.999 -13.838 -16.762 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -22.902 -13.011 -13.302 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -25.087 -16.566 -14.063 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -24.837 -14.567 -12.508 1.00 0.00 H new ATOM 691 N ILE A 47 -20.705 -16.379 -17.963 1.00 0.00 N ATOM 692 CA ILE A 47 -20.464 -16.693 -19.366 1.00 0.00 C ATOM 693 C ILE A 47 -20.354 -15.423 -20.203 1.00 0.00 C ATOM 694 O ILE A 47 -21.342 -14.720 -20.413 1.00 0.00 O ATOM 695 CB ILE A 47 -21.581 -17.581 -19.944 1.00 0.00 C ATOM 696 CG1 ILE A 47 -21.653 -18.907 -19.184 1.00 0.00 C ATOM 697 CG2 ILE A 47 -21.349 -17.826 -21.427 1.00 0.00 C ATOM 698 CD1 ILE A 47 -20.399 -19.744 -19.309 1.00 0.00 C ATOM 0 H ILE A 47 -21.322 -17.035 -17.484 1.00 0.00 H new ATOM 0 HA ILE A 47 -19.520 -17.236 -19.410 1.00 0.00 H new ATOM 0 HB ILE A 47 -22.533 -17.064 -19.826 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -21.840 -18.703 -18.130 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -22.502 -19.482 -19.553 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -22.147 -18.455 -21.821 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -21.343 -16.873 -21.957 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -20.390 -18.325 -21.568 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -20.521 -20.669 -18.745 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -20.222 -19.979 -20.358 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -19.549 -19.188 -18.913 1.00 0.00 H new ATOM 710 N ALA A 48 -19.147 -15.137 -20.679 1.00 0.00 N ATOM 711 CA ALA A 48 -18.909 -13.954 -21.497 1.00 0.00 C ATOM 712 C ALA A 48 -18.880 -12.692 -20.641 1.00 0.00 C ATOM 713 O ALA A 48 -19.799 -11.875 -20.692 1.00 0.00 O ATOM 714 CB ALA A 48 -19.974 -13.837 -22.578 1.00 0.00 C ATOM 0 H ALA A 48 -18.319 -15.708 -20.512 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.934 -14.061 -21.973 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.784 -12.949 -23.181 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -19.945 -14.721 -23.215 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -20.957 -13.756 -22.113 1.00 0.00 H new ATOM 720 N ASP A 49 -17.819 -12.540 -19.856 1.00 0.00 N ATOM 721 CA ASP A 49 -17.670 -11.377 -18.989 1.00 0.00 C ATOM 722 C ASP A 49 -16.224 -10.892 -18.974 1.00 0.00 C ATOM 723 O ASP A 49 -15.295 -11.687 -18.833 1.00 0.00 O ATOM 724 CB ASP A 49 -18.123 -11.713 -17.568 1.00 0.00 C ATOM 725 CG ASP A 49 -19.561 -11.307 -17.307 1.00 0.00 C ATOM 726 OD1 ASP A 49 -19.788 -10.140 -16.926 1.00 0.00 O ATOM 727 OD2 ASP A 49 -20.459 -12.157 -17.484 1.00 0.00 O ATOM 0 H ASP A 49 -17.050 -13.207 -19.802 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.298 -10.578 -19.383 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -18.015 -12.784 -17.399 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.471 -11.210 -16.854 1.00 0.00 H new ATOM 732 N GLU A 50 -16.042 -9.584 -19.122 1.00 0.00 N ATOM 733 CA GLU A 50 -14.708 -8.995 -19.128 1.00 0.00 C ATOM 734 C GLU A 50 -14.051 -9.123 -17.756 1.00 0.00 C ATOM 735 O GLU A 50 -14.665 -8.826 -16.731 1.00 0.00 O ATOM 736 CB GLU A 50 -14.779 -7.522 -19.536 1.00 0.00 C ATOM 737 CG GLU A 50 -15.383 -7.300 -20.912 1.00 0.00 C ATOM 738 CD GLU A 50 -16.324 -6.111 -20.951 1.00 0.00 C ATOM 739 OE1 GLU A 50 -15.838 -4.975 -21.129 1.00 0.00 O ATOM 740 OE2 GLU A 50 -17.546 -6.318 -20.804 1.00 0.00 O ATOM 0 H GLU A 50 -16.801 -8.912 -19.239 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.102 -9.537 -19.854 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.368 -6.977 -18.798 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.774 -7.100 -19.517 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.582 -7.149 -21.636 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.923 -8.196 -21.217 1.00 0.00 H new ATOM 747 N VAL A 51 -12.799 -9.569 -17.746 1.00 0.00 N ATOM 748 CA VAL A 51 -12.057 -9.737 -16.502 1.00 0.00 C ATOM 749 C VAL A 51 -10.599 -9.325 -16.672 1.00 0.00 C ATOM 750 O VAL A 51 -10.060 -9.357 -17.777 1.00 0.00 O ATOM 751 CB VAL A 51 -12.114 -11.194 -16.007 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.546 -11.593 -15.684 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.511 -12.132 -17.042 1.00 0.00 C ATOM 0 H VAL A 51 -12.277 -9.821 -18.585 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.529 -9.091 -15.762 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.526 -11.272 -15.093 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.566 -12.626 -15.336 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.939 -10.940 -14.905 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -14.160 -11.500 -16.579 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.560 -13.157 -16.676 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.070 -12.053 -17.974 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.471 -11.859 -17.218 1.00 0.00 H new ATOM 763 N GLU A 52 -9.966 -8.940 -15.568 1.00 0.00 N ATOM 764 CA GLU A 52 -8.570 -8.522 -15.595 1.00 0.00 C ATOM 765 C GLU A 52 -7.706 -9.452 -14.748 1.00 0.00 C ATOM 766 O GLU A 52 -8.011 -9.711 -13.583 1.00 0.00 O ATOM 767 CB GLU A 52 -8.435 -7.083 -15.091 1.00 0.00 C ATOM 768 CG GLU A 52 -7.090 -6.451 -15.407 1.00 0.00 C ATOM 769 CD GLU A 52 -6.800 -5.236 -14.548 1.00 0.00 C ATOM 770 OE1 GLU A 52 -7.765 -4.574 -14.111 1.00 0.00 O ATOM 771 OE2 GLU A 52 -5.608 -4.947 -14.312 1.00 0.00 O ATOM 0 H GLU A 52 -10.398 -8.909 -14.645 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.223 -8.572 -16.627 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.225 -6.476 -15.534 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.589 -7.069 -14.012 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.302 -7.190 -15.262 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.066 -6.162 -16.458 1.00 0.00 H new ATOM 778 N PHE A 53 -6.628 -9.953 -15.342 1.00 0.00 N ATOM 779 CA PHE A 53 -5.721 -10.856 -14.643 1.00 0.00 C ATOM 780 C PHE A 53 -4.277 -10.618 -15.075 1.00 0.00 C ATOM 781 O PHE A 53 -4.019 -10.107 -16.165 1.00 0.00 O ATOM 782 CB PHE A 53 -6.111 -12.312 -14.909 1.00 0.00 C ATOM 783 CG PHE A 53 -6.539 -12.568 -16.326 1.00 0.00 C ATOM 784 CD1 PHE A 53 -7.818 -12.244 -16.747 1.00 0.00 C ATOM 785 CD2 PHE A 53 -5.661 -13.133 -17.237 1.00 0.00 C ATOM 786 CE1 PHE A 53 -8.214 -12.480 -18.050 1.00 0.00 C ATOM 787 CE2 PHE A 53 -6.051 -13.371 -18.541 1.00 0.00 C ATOM 788 CZ PHE A 53 -7.329 -13.043 -18.948 1.00 0.00 C ATOM 0 H PHE A 53 -6.361 -9.749 -16.305 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.800 -10.655 -13.575 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.264 -12.956 -14.672 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.922 -12.591 -14.237 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.514 -11.802 -16.049 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.660 -13.390 -16.924 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -9.215 -12.224 -18.365 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.357 -13.813 -19.241 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.636 -13.227 -19.967 1.00 0.00 H new ATOM 798 N THR A 54 -3.338 -10.993 -14.212 1.00 0.00 N ATOM 799 CA THR A 54 -1.920 -10.819 -14.502 1.00 0.00 C ATOM 800 C THR A 54 -1.310 -12.103 -15.052 1.00 0.00 C ATOM 801 O THR A 54 -1.360 -13.152 -14.408 1.00 0.00 O ATOM 802 CB THR A 54 -1.138 -10.389 -13.247 1.00 0.00 C ATOM 803 OG1 THR A 54 -1.721 -9.206 -12.688 1.00 0.00 O ATOM 804 CG2 THR A 54 0.323 -10.131 -13.582 1.00 0.00 C ATOM 0 H THR A 54 -3.534 -11.419 -13.306 1.00 0.00 H new ATOM 0 HA THR A 54 -1.846 -10.033 -15.254 1.00 0.00 H new ATOM 0 HB THR A 54 -1.190 -11.198 -12.518 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.219 -8.940 -11.889 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.855 -9.829 -12.680 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.771 -11.041 -13.980 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.391 -9.338 -14.327 1.00 0.00 H new ATOM 968 N ASN A 65 1.214 -20.273 -18.067 1.00 0.00 N ATOM 969 CA ASN A 65 0.802 -19.028 -17.429 1.00 0.00 C ATOM 970 C ASN A 65 -0.473 -19.229 -16.615 1.00 0.00 C ATOM 971 O ASN A 65 -1.199 -20.204 -16.810 1.00 0.00 O ATOM 972 CB ASN A 65 0.583 -17.939 -18.482 1.00 0.00 C ATOM 973 CG ASN A 65 1.853 -17.604 -19.240 1.00 0.00 C ATOM 974 OD1 ASN A 65 2.951 -17.650 -18.685 1.00 0.00 O ATOM 975 ND2 ASN A 65 1.707 -17.263 -20.515 1.00 0.00 N ATOM 0 HA ASN A 65 1.597 -18.715 -16.753 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.181 -18.267 -19.186 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.205 -17.039 -17.997 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.525 -17.026 -21.076 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.777 -17.239 -20.933 1.00 0.00 H new ATOM 982 N HIS A 66 -0.739 -18.299 -15.703 1.00 0.00 N ATOM 983 CA HIS A 66 -1.927 -18.373 -14.860 1.00 0.00 C ATOM 984 C HIS A 66 -2.420 -16.977 -14.493 1.00 0.00 C ATOM 985 O HIS A 66 -1.626 -16.051 -14.327 1.00 0.00 O ATOM 986 CB HIS A 66 -1.629 -19.172 -13.592 1.00 0.00 C ATOM 987 CG HIS A 66 -0.793 -18.427 -12.597 1.00 0.00 C ATOM 988 ND1 HIS A 66 -0.865 -18.649 -11.238 1.00 0.00 N ATOM 989 CD2 HIS A 66 0.138 -17.460 -12.771 1.00 0.00 C ATOM 990 CE1 HIS A 66 -0.015 -17.849 -10.618 1.00 0.00 C ATOM 991 NE2 HIS A 66 0.606 -17.118 -11.526 1.00 0.00 N ATOM 0 H HIS A 66 -0.148 -17.486 -15.529 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.711 -18.879 -15.423 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.570 -19.457 -13.122 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.117 -20.095 -13.866 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.454 -17.036 -13.713 1.00 0.00 H new ATOM 0 HE1 HIS A 66 0.145 -17.801 -9.551 1.00 0.00 H new ATOM 0 HE2 HIS A 66 1.318 -16.413 -11.334 1.00 0.00 H new ATOM 999 N ALA A 67 -3.735 -16.832 -14.368 1.00 0.00 N ATOM 1000 CA ALA A 67 -4.333 -15.550 -14.018 1.00 0.00 C ATOM 1001 C ALA A 67 -4.479 -15.405 -12.507 1.00 0.00 C ATOM 1002 O ALA A 67 -5.084 -16.252 -11.849 1.00 0.00 O ATOM 1003 CB ALA A 67 -5.686 -15.396 -14.698 1.00 0.00 C ATOM 0 H ALA A 67 -4.407 -17.587 -14.504 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.669 -14.760 -14.369 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.122 -14.434 -14.428 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.558 -15.445 -15.779 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.349 -16.198 -14.374 1.00 0.00 H new ATOM 1009 N ILE A 68 -3.920 -14.329 -11.964 1.00 0.00 N ATOM 1010 CA ILE A 68 -3.989 -14.074 -10.530 1.00 0.00 C ATOM 1011 C ILE A 68 -4.969 -12.949 -10.218 1.00 0.00 C ATOM 1012 O ILE A 68 -5.288 -12.132 -11.083 1.00 0.00 O ATOM 1013 CB ILE A 68 -2.607 -13.711 -9.957 1.00 0.00 C ATOM 1014 CG1 ILE A 68 -2.034 -12.491 -10.681 1.00 0.00 C ATOM 1015 CG2 ILE A 68 -1.658 -14.894 -10.070 1.00 0.00 C ATOM 1016 CD1 ILE A 68 -1.445 -11.456 -9.749 1.00 0.00 C ATOM 0 H ILE A 68 -3.414 -13.620 -12.495 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.337 -14.995 -10.062 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.723 -13.463 -8.902 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.263 -12.821 -11.378 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.822 -12.027 -11.274 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.686 -14.621 -9.661 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.062 -15.739 -9.513 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.545 -15.171 -11.118 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.058 -10.620 -10.332 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.217 -11.097 -9.069 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.634 -11.904 -9.174 1.00 0.00 H new ATOM 1028 N ARG A 69 -5.442 -12.910 -8.977 1.00 0.00 N ATOM 1029 CA ARG A 69 -6.385 -11.884 -8.550 1.00 0.00 C ATOM 1030 C ARG A 69 -7.353 -11.533 -9.676 1.00 0.00 C ATOM 1031 O ARG A 69 -7.182 -10.525 -10.363 1.00 0.00 O ATOM 1032 CB ARG A 69 -5.636 -10.629 -8.097 1.00 0.00 C ATOM 1033 CG ARG A 69 -4.799 -10.838 -6.845 1.00 0.00 C ATOM 1034 CD ARG A 69 -5.673 -10.975 -5.608 1.00 0.00 C ATOM 1035 NE ARG A 69 -5.253 -12.088 -4.761 1.00 0.00 N ATOM 1036 CZ ARG A 69 -4.187 -12.048 -3.969 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -3.438 -10.955 -3.915 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -3.869 -13.101 -3.228 1.00 0.00 N ATOM 0 H ARG A 69 -5.187 -13.578 -8.249 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.958 -12.279 -7.711 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.987 -10.292 -8.905 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.357 -9.832 -7.913 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.187 -11.732 -6.960 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.116 -9.998 -6.718 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.636 -10.049 -5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.710 -11.121 -5.911 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.809 -12.943 -4.778 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.680 -10.143 -4.482 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.620 -10.927 -3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.443 -13.943 -3.266 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.050 -13.069 -2.621 1.00 0.00 H new ATOM 1052 N ILE A 70 -8.368 -12.370 -9.858 1.00 0.00 N ATOM 1053 CA ILE A 70 -9.363 -12.147 -10.900 1.00 0.00 C ATOM 1054 C ILE A 70 -10.434 -11.166 -10.437 1.00 0.00 C ATOM 1055 O ILE A 70 -11.095 -11.384 -9.421 1.00 0.00 O ATOM 1056 CB ILE A 70 -10.039 -13.465 -11.324 1.00 0.00 C ATOM 1057 CG1 ILE A 70 -9.025 -14.388 -12.003 1.00 0.00 C ATOM 1058 CG2 ILE A 70 -11.211 -13.184 -12.252 1.00 0.00 C ATOM 1059 CD1 ILE A 70 -9.591 -15.742 -12.368 1.00 0.00 C ATOM 0 H ILE A 70 -8.523 -13.208 -9.298 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.835 -11.727 -11.756 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.418 -13.965 -10.433 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.652 -13.904 -12.906 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.171 -14.527 -11.340 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.678 -14.125 -12.543 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.941 -12.560 -11.737 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.854 -12.666 -13.142 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.817 -16.343 -12.845 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.938 -16.246 -11.466 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.427 -15.614 -13.056 1.00 0.00 H new ATOM 1071 N LYS A 71 -10.602 -10.083 -11.189 1.00 0.00 N ATOM 1072 CA LYS A 71 -11.595 -9.068 -10.859 1.00 0.00 C ATOM 1073 C LYS A 71 -12.347 -8.616 -12.107 1.00 0.00 C ATOM 1074 O LYS A 71 -11.764 -8.029 -13.018 1.00 0.00 O ATOM 1075 CB LYS A 71 -10.923 -7.866 -10.192 1.00 0.00 C ATOM 1076 CG LYS A 71 -11.906 -6.830 -9.673 1.00 0.00 C ATOM 1077 CD LYS A 71 -11.191 -5.598 -9.146 1.00 0.00 C ATOM 1078 CE LYS A 71 -11.093 -4.514 -10.209 1.00 0.00 C ATOM 1079 NZ LYS A 71 -9.920 -3.623 -9.986 1.00 0.00 N ATOM 0 H LYS A 71 -10.062 -9.886 -12.032 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.311 -9.508 -10.165 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.308 -8.218 -9.364 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.252 -7.391 -10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.588 -6.542 -10.473 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.512 -7.267 -8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.723 -5.210 -8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.191 -5.872 -8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.016 -4.976 -11.193 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.006 -3.919 -10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.888 -2.898 -10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.006 -3.162 -9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.046 -4.186 -10.014 1.00 0.00 H new ATOM 1093 N LYS A 72 -13.647 -8.893 -12.142 1.00 0.00 N ATOM 1094 CA LYS A 72 -14.480 -8.513 -13.276 1.00 0.00 C ATOM 1095 C LYS A 72 -14.403 -7.011 -13.529 1.00 0.00 C ATOM 1096 O LYS A 72 -14.438 -6.211 -12.593 1.00 0.00 O ATOM 1097 CB LYS A 72 -15.933 -8.926 -13.029 1.00 0.00 C ATOM 1098 CG LYS A 72 -16.588 -9.593 -14.226 1.00 0.00 C ATOM 1099 CD LYS A 72 -17.276 -10.890 -13.834 1.00 0.00 C ATOM 1100 CE LYS A 72 -18.685 -10.640 -13.319 1.00 0.00 C ATOM 1101 NZ LYS A 72 -19.659 -11.624 -13.868 1.00 0.00 N ATOM 0 H LYS A 72 -14.146 -9.380 -11.397 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.106 -9.032 -14.159 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.969 -9.608 -12.179 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.511 -8.044 -12.754 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.316 -8.913 -14.669 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.835 -9.795 -14.988 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.315 -11.557 -14.695 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.691 -11.396 -13.066 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.689 -10.694 -12.230 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.997 -9.631 -13.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.518 -11.126 -14.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.234 -12.118 -14.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.906 -12.315 -13.132 1.00 0.00 H new ATOM 1115 N LEU A 73 -14.299 -6.634 -14.798 1.00 0.00 N ATOM 1116 CA LEU A 73 -14.219 -5.226 -15.174 1.00 0.00 C ATOM 1117 C LEU A 73 -15.607 -4.653 -15.437 1.00 0.00 C ATOM 1118 O LEU A 73 -16.530 -5.358 -15.846 1.00 0.00 O ATOM 1119 CB LEU A 73 -13.342 -5.059 -16.417 1.00 0.00 C ATOM 1120 CG LEU A 73 -11.868 -5.433 -16.254 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -11.221 -5.655 -17.612 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -11.127 -4.355 -15.477 1.00 0.00 C ATOM 0 H LEU A 73 -14.268 -7.283 -15.584 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.771 -4.679 -14.344 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.764 -5.666 -17.219 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.399 -4.020 -16.740 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.809 -6.364 -15.690 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.172 -5.920 -17.476 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.735 -6.463 -18.132 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.291 -4.741 -18.202 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.080 -4.638 -15.371 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.194 -3.409 -16.013 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.575 -4.245 -14.490 1.00 0.00 H new ATOM 1134 N PRO A 74 -15.761 -3.342 -15.199 1.00 0.00 N ATOM 1135 CA PRO A 74 -17.033 -2.644 -15.406 1.00 0.00 C ATOM 1136 C PRO A 74 -17.393 -2.518 -16.882 1.00 0.00 C ATOM 1137 O PRO A 74 -16.514 -2.455 -17.743 1.00 0.00 O ATOM 1138 CB PRO A 74 -16.783 -1.262 -14.797 1.00 0.00 C ATOM 1139 CG PRO A 74 -15.307 -1.073 -14.881 1.00 0.00 C ATOM 1140 CD PRO A 74 -14.704 -2.440 -14.711 1.00 0.00 C ATOM 0 HA PRO A 74 -17.869 -3.179 -14.955 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -17.314 -0.485 -15.347 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -17.130 -1.215 -13.765 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.023 -0.638 -15.839 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.956 -0.392 -14.105 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.785 -2.549 -15.287 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.453 -2.642 -13.670 1.00 0.00 H new ATOM 1148 N LYS A 75 -18.689 -2.480 -17.170 1.00 0.00 N ATOM 1149 CA LYS A 75 -19.166 -2.360 -18.543 1.00 0.00 C ATOM 1150 C LYS A 75 -18.626 -1.092 -19.197 1.00 0.00 C ATOM 1151 O LYS A 75 -18.563 -0.036 -18.569 1.00 0.00 O ATOM 1152 CB LYS A 75 -20.696 -2.351 -18.574 1.00 0.00 C ATOM 1153 CG LYS A 75 -21.292 -3.413 -19.482 1.00 0.00 C ATOM 1154 CD LYS A 75 -21.950 -4.525 -18.683 1.00 0.00 C ATOM 1155 CE LYS A 75 -23.398 -4.192 -18.354 1.00 0.00 C ATOM 1156 NZ LYS A 75 -23.572 -3.831 -16.920 1.00 0.00 N ATOM 0 H LYS A 75 -19.429 -2.531 -16.470 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.803 -3.221 -19.105 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -21.072 -2.498 -17.562 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -21.039 -1.370 -18.903 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -22.027 -2.956 -20.144 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.510 -3.832 -20.115 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.909 -5.455 -19.250 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -21.394 -4.689 -17.760 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -23.732 -3.364 -18.980 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -24.031 -5.047 -18.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -24.572 -3.611 -16.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -23.278 -4.630 -16.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -22.988 -2.999 -16.698 1.00 0.00 H new ATOM 1170 N GLY A 76 -18.239 -1.204 -20.464 1.00 0.00 N ATOM 1171 CA GLY A 76 -17.711 -0.059 -21.182 1.00 0.00 C ATOM 1172 C GLY A 76 -16.235 0.164 -20.914 1.00 0.00 C ATOM 1173 O GLY A 76 -15.846 1.185 -20.346 1.00 0.00 O ATOM 0 H GLY A 76 -18.282 -2.067 -21.006 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.865 -0.202 -22.251 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -18.268 0.833 -20.896 1.00 0.00 H new ATOM 1177 N THR A 77 -15.410 -0.795 -21.323 1.00 0.00 N ATOM 1178 CA THR A 77 -13.970 -0.700 -21.122 1.00 0.00 C ATOM 1179 C THR A 77 -13.216 -1.556 -22.134 1.00 0.00 C ATOM 1180 O THR A 77 -12.159 -1.163 -22.629 1.00 0.00 O ATOM 1181 CB THR A 77 -13.571 -1.137 -19.700 1.00 0.00 C ATOM 1182 OG1 THR A 77 -14.270 -0.348 -18.731 1.00 0.00 O ATOM 1183 CG2 THR A 77 -12.071 -0.995 -19.490 1.00 0.00 C ATOM 0 H THR A 77 -15.715 -1.646 -21.795 1.00 0.00 H new ATOM 0 HA THR A 77 -13.700 0.347 -21.262 1.00 0.00 H new ATOM 0 HB THR A 77 -13.841 -2.186 -19.577 1.00 0.00 H new ATOM 0 HG1 THR A 77 -14.998 -0.877 -18.342 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.814 -1.310 -18.479 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.542 -1.620 -20.210 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.781 0.046 -19.631 1.00 0.00 H new ATOM 1191 N VAL A 78 -13.766 -2.727 -22.438 1.00 0.00 N ATOM 1192 CA VAL A 78 -13.146 -3.637 -23.394 1.00 0.00 C ATOM 1193 C VAL A 78 -14.025 -3.825 -24.625 1.00 0.00 C ATOM 1194 O VAL A 78 -15.247 -3.694 -24.553 1.00 0.00 O ATOM 1195 CB VAL A 78 -12.869 -5.013 -22.759 1.00 0.00 C ATOM 1196 CG1 VAL A 78 -11.981 -5.851 -23.666 1.00 0.00 C ATOM 1197 CG2 VAL A 78 -12.238 -4.849 -21.385 1.00 0.00 C ATOM 0 H VAL A 78 -14.639 -3.068 -22.036 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.200 -3.185 -23.693 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.818 -5.535 -22.637 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.796 -6.819 -23.201 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.477 -5.998 -24.626 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.033 -5.337 -23.823 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.049 -5.831 -20.952 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.297 -4.307 -21.479 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.915 -4.291 -20.738 1.00 0.00 H new