USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=8 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 Set 1.1: A 32 MET CE :methyl 171:sc= 0 (180deg=0) USER MOD Set 1.2: A 65 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.0095) USER MOD Single : A 10 MET CE :methyl 157:sc= -0.0101 (180deg=-0.176) USER MOD Single : A 16 MET CE :methyl -174:sc= -3.03! (180deg=-3.13) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 21:sc= 0.554 USER MOD Single : A 35 HIS : no HD1:sc= -0.509 K(o=-0.51,f=-1.1) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.87! C(o=-2.9!,f=-2.4!) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 46 HIS : no HE2:sc= 0.589 K(o=0.59,f=-2.1!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -5.88! C(o=-5.9!,f=-4.9!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -1.133 -6.260 -17.582 1.00 0.00 N ATOM 67 CA ARG A 8 -2.470 -6.766 -17.296 1.00 0.00 C ATOM 68 C ARG A 8 -3.294 -6.877 -18.575 1.00 0.00 C ATOM 69 O ARG A 8 -3.385 -5.925 -19.349 1.00 0.00 O ATOM 70 CB ARG A 8 -3.181 -5.854 -16.295 1.00 0.00 C ATOM 71 CG ARG A 8 -2.553 -5.861 -14.911 1.00 0.00 C ATOM 72 CD ARG A 8 -3.392 -5.077 -13.915 1.00 0.00 C ATOM 73 NE ARG A 8 -2.566 -4.348 -12.956 1.00 0.00 N ATOM 74 CZ ARG A 8 -1.932 -3.216 -13.243 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.031 -2.686 -14.454 1.00 0.00 N ATOM 76 NH2 ARG A 8 -1.198 -2.612 -12.317 1.00 0.00 N ATOM 0 HA ARG A 8 -2.370 -7.761 -16.862 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.179 -4.834 -16.680 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.223 -6.162 -16.213 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.442 -6.889 -14.566 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.552 -5.432 -14.962 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.029 -4.374 -14.452 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.051 -5.760 -13.380 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.471 -4.729 -12.015 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.595 -3.147 -15.168 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.543 -1.817 -14.672 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.120 -3.017 -11.384 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.712 -1.743 -12.538 1.00 0.00 H new ATOM 90 N GLU A 9 -3.891 -8.045 -18.789 1.00 0.00 N ATOM 91 CA GLU A 9 -4.707 -8.279 -19.975 1.00 0.00 C ATOM 92 C GLU A 9 -6.160 -8.545 -19.593 1.00 0.00 C ATOM 93 O GLU A 9 -6.469 -8.808 -18.431 1.00 0.00 O ATOM 94 CB GLU A 9 -4.154 -9.461 -20.776 1.00 0.00 C ATOM 95 CG GLU A 9 -2.747 -9.235 -21.301 1.00 0.00 C ATOM 96 CD GLU A 9 -1.680 -9.636 -20.301 1.00 0.00 C ATOM 97 OE1 GLU A 9 -1.938 -10.553 -19.494 1.00 0.00 O ATOM 98 OE2 GLU A 9 -0.587 -9.032 -20.325 1.00 0.00 O ATOM 0 H GLU A 9 -3.825 -8.843 -18.157 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.671 -7.381 -20.592 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.159 -10.350 -20.146 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.818 -9.662 -21.616 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.610 -9.804 -22.220 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.623 -8.183 -21.556 1.00 0.00 H new ATOM 105 N MET A 10 -7.048 -8.473 -20.579 1.00 0.00 N ATOM 106 CA MET A 10 -8.468 -8.706 -20.347 1.00 0.00 C ATOM 107 C MET A 10 -9.017 -9.740 -21.325 1.00 0.00 C ATOM 108 O MET A 10 -8.496 -9.903 -22.427 1.00 0.00 O ATOM 109 CB MET A 10 -9.250 -7.398 -20.478 1.00 0.00 C ATOM 110 CG MET A 10 -8.628 -6.239 -19.715 1.00 0.00 C ATOM 111 SD MET A 10 -7.562 -5.219 -20.751 1.00 0.00 S ATOM 112 CE MET A 10 -8.187 -3.583 -20.372 1.00 0.00 C ATOM 0 H MET A 10 -6.809 -8.255 -21.546 1.00 0.00 H new ATOM 0 HA MET A 10 -8.586 -9.091 -19.334 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.322 -7.131 -21.532 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.267 -7.555 -20.119 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.420 -5.619 -19.294 1.00 0.00 H new ATOM 0 HG3 MET A 10 -8.049 -6.629 -18.878 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.418 -2.841 -20.586 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.067 -3.379 -20.982 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.457 -3.532 -19.317 1.00 0.00 H new ATOM 122 N GLY A 11 -10.072 -10.437 -20.913 1.00 0.00 N ATOM 123 CA GLY A 11 -10.673 -11.446 -21.765 1.00 0.00 C ATOM 124 C GLY A 11 -12.077 -11.812 -21.329 1.00 0.00 C ATOM 125 O GLY A 11 -12.543 -11.373 -20.277 1.00 0.00 O ATOM 0 H GLY A 11 -10.521 -10.321 -20.004 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.698 -11.082 -22.792 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.050 -12.340 -21.759 1.00 0.00 H new ATOM 129 N VAL A 12 -12.756 -12.619 -22.139 1.00 0.00 N ATOM 130 CA VAL A 12 -14.116 -13.044 -21.831 1.00 0.00 C ATOM 131 C VAL A 12 -14.167 -14.532 -21.506 1.00 0.00 C ATOM 132 O VAL A 12 -13.517 -15.344 -22.165 1.00 0.00 O ATOM 133 CB VAL A 12 -15.074 -12.752 -23.001 1.00 0.00 C ATOM 134 CG1 VAL A 12 -15.172 -11.255 -23.251 1.00 0.00 C ATOM 135 CG2 VAL A 12 -14.618 -13.481 -24.256 1.00 0.00 C ATOM 0 H VAL A 12 -12.386 -12.991 -23.014 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.435 -12.474 -20.959 1.00 0.00 H new ATOM 0 HB VAL A 12 -16.066 -13.117 -22.735 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.853 -11.069 -24.081 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.548 -10.760 -22.355 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.185 -10.862 -23.496 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.306 -13.264 -25.073 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.616 -13.148 -24.527 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.605 -14.555 -24.069 1.00 0.00 H new ATOM 145 N ILE A 13 -14.943 -14.884 -20.486 1.00 0.00 N ATOM 146 CA ILE A 13 -15.080 -16.275 -20.075 1.00 0.00 C ATOM 147 C ILE A 13 -15.816 -17.091 -21.133 1.00 0.00 C ATOM 148 O ILE A 13 -16.755 -16.607 -21.763 1.00 0.00 O ATOM 149 CB ILE A 13 -15.832 -16.395 -18.736 1.00 0.00 C ATOM 150 CG1 ILE A 13 -15.241 -15.429 -17.707 1.00 0.00 C ATOM 151 CG2 ILE A 13 -15.773 -17.826 -18.222 1.00 0.00 C ATOM 152 CD1 ILE A 13 -13.811 -15.747 -17.331 1.00 0.00 C ATOM 0 H ILE A 13 -15.486 -14.224 -19.929 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.071 -16.669 -19.952 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.877 -16.130 -18.897 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -15.287 -14.415 -18.104 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.857 -15.447 -16.808 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.309 -17.895 -17.275 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.235 -18.493 -18.950 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.733 -18.116 -18.072 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.458 -15.022 -16.598 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -13.761 -16.748 -16.904 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.182 -15.700 -18.220 1.00 0.00 H new ATOM 164 N ALA A 14 -15.382 -18.333 -21.321 1.00 0.00 N ATOM 165 CA ALA A 14 -16.002 -19.219 -22.299 1.00 0.00 C ATOM 166 C ALA A 14 -16.469 -20.516 -21.647 1.00 0.00 C ATOM 167 O ALA A 14 -17.390 -21.170 -22.136 1.00 0.00 O ATOM 168 CB ALA A 14 -15.031 -19.515 -23.432 1.00 0.00 C ATOM 0 H ALA A 14 -14.604 -18.748 -20.809 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.877 -18.714 -22.708 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.507 -20.178 -24.155 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.750 -18.583 -23.923 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.139 -19.996 -23.031 1.00 0.00 H new ATOM 174 N ALA A 15 -15.828 -20.882 -20.543 1.00 0.00 N ATOM 175 CA ALA A 15 -16.180 -22.100 -19.824 1.00 0.00 C ATOM 176 C ALA A 15 -16.350 -21.828 -18.333 1.00 0.00 C ATOM 177 O ALA A 15 -15.536 -21.137 -17.722 1.00 0.00 O ATOM 178 CB ALA A 15 -15.121 -23.170 -20.049 1.00 0.00 C ATOM 0 H ALA A 15 -15.062 -20.353 -20.127 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.133 -22.459 -20.212 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.396 -24.074 -19.506 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.050 -23.393 -21.114 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.157 -22.810 -19.688 1.00 0.00 H new ATOM 184 N MET A 16 -17.414 -22.376 -17.754 1.00 0.00 N ATOM 185 CA MET A 16 -17.690 -22.192 -16.334 1.00 0.00 C ATOM 186 C MET A 16 -18.268 -23.464 -15.723 1.00 0.00 C ATOM 187 O MET A 16 -19.312 -23.433 -15.071 1.00 0.00 O ATOM 188 CB MET A 16 -18.661 -21.027 -16.128 1.00 0.00 C ATOM 189 CG MET A 16 -18.057 -19.669 -16.447 1.00 0.00 C ATOM 190 SD MET A 16 -17.190 -18.947 -15.041 1.00 0.00 S ATOM 191 CE MET A 16 -18.568 -18.513 -13.981 1.00 0.00 C ATOM 0 H MET A 16 -18.098 -22.950 -18.246 1.00 0.00 H new ATOM 0 HA MET A 16 -16.749 -21.965 -15.833 1.00 0.00 H new ATOM 0 HB2 MET A 16 -19.539 -21.181 -16.755 1.00 0.00 H new ATOM 0 HB3 MET A 16 -19.004 -21.029 -15.093 1.00 0.00 H new ATOM 0 HG2 MET A 16 -17.364 -19.771 -17.283 1.00 0.00 H new ATOM 0 HG3 MET A 16 -18.847 -18.991 -16.769 1.00 0.00 H new ATOM 0 HE1 MET A 16 -18.202 -17.959 -13.117 1.00 0.00 H new ATOM 0 HE2 MET A 16 -19.273 -17.895 -14.536 1.00 0.00 H new ATOM 0 HE3 MET A 16 -19.068 -19.421 -13.644 1.00 0.00 H new ATOM 201 N ARG A 17 -17.583 -24.583 -15.939 1.00 0.00 N ATOM 202 CA ARG A 17 -18.029 -25.866 -15.411 1.00 0.00 C ATOM 203 C ARG A 17 -18.433 -25.740 -13.944 1.00 0.00 C ATOM 204 O ARG A 17 -19.607 -25.549 -13.628 1.00 0.00 O ATOM 205 CB ARG A 17 -16.925 -26.914 -15.558 1.00 0.00 C ATOM 206 CG ARG A 17 -16.636 -27.295 -17.001 1.00 0.00 C ATOM 207 CD ARG A 17 -17.859 -27.897 -17.674 1.00 0.00 C ATOM 208 NE ARG A 17 -18.798 -26.872 -18.123 1.00 0.00 N ATOM 209 CZ ARG A 17 -18.523 -25.993 -19.080 1.00 0.00 C ATOM 210 NH1 ARG A 17 -17.345 -26.015 -19.687 1.00 0.00 N ATOM 211 NH2 ARG A 17 -19.429 -25.090 -19.433 1.00 0.00 N ATOM 0 H ARG A 17 -16.717 -24.626 -16.476 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.900 -26.183 -15.984 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.011 -26.534 -15.101 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.209 -27.809 -15.005 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.313 -26.413 -17.554 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.814 -28.010 -17.032 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -17.544 -28.498 -18.527 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.361 -28.569 -16.978 1.00 0.00 H new ATOM 0 HE ARG A 17 -19.715 -26.829 -17.677 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.646 -26.708 -19.420 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.137 -25.339 -20.422 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -20.337 -25.071 -18.969 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.217 -24.415 -20.168 1.00 0.00 H new ATOM 225 N ASP A 18 -17.452 -25.848 -13.055 1.00 0.00 N ATOM 226 CA ASP A 18 -17.705 -25.745 -11.622 1.00 0.00 C ATOM 227 C ASP A 18 -16.422 -25.412 -10.867 1.00 0.00 C ATOM 228 O ASP A 18 -16.062 -26.090 -9.906 1.00 0.00 O ATOM 229 CB ASP A 18 -18.299 -27.051 -11.093 1.00 0.00 C ATOM 230 CG ASP A 18 -17.658 -28.274 -11.719 1.00 0.00 C ATOM 231 OD1 ASP A 18 -16.448 -28.221 -12.021 1.00 0.00 O ATOM 232 OD2 ASP A 18 -18.367 -29.285 -11.907 1.00 0.00 O ATOM 0 H ASP A 18 -16.475 -26.007 -13.301 1.00 0.00 H new ATOM 0 HA ASP A 18 -18.420 -24.938 -11.460 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -18.173 -27.092 -10.011 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -19.371 -27.065 -11.290 1.00 0.00 H new ATOM 237 N GLY A 19 -15.735 -24.364 -11.311 1.00 0.00 N ATOM 238 CA GLY A 19 -14.499 -23.960 -10.666 1.00 0.00 C ATOM 239 C GLY A 19 -13.433 -23.547 -11.662 1.00 0.00 C ATOM 240 O GLY A 19 -12.728 -22.559 -11.453 1.00 0.00 O ATOM 0 H GLY A 19 -16.012 -23.788 -12.106 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.701 -23.130 -9.989 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.124 -24.783 -10.058 1.00 0.00 H new ATOM 244 N PHE A 20 -13.315 -24.304 -12.748 1.00 0.00 N ATOM 245 CA PHE A 20 -12.326 -24.012 -13.779 1.00 0.00 C ATOM 246 C PHE A 20 -12.994 -23.833 -15.139 1.00 0.00 C ATOM 247 O PHE A 20 -14.147 -24.218 -15.331 1.00 0.00 O ATOM 248 CB PHE A 20 -11.288 -25.134 -13.852 1.00 0.00 C ATOM 249 CG PHE A 20 -11.634 -26.207 -14.845 1.00 0.00 C ATOM 250 CD1 PHE A 20 -12.503 -27.231 -14.504 1.00 0.00 C ATOM 251 CD2 PHE A 20 -11.090 -26.191 -16.119 1.00 0.00 C ATOM 252 CE1 PHE A 20 -12.823 -28.219 -15.416 1.00 0.00 C ATOM 253 CE2 PHE A 20 -11.407 -27.176 -17.035 1.00 0.00 C ATOM 254 CZ PHE A 20 -12.274 -28.192 -16.682 1.00 0.00 C ATOM 0 H PHE A 20 -13.892 -25.124 -12.937 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.826 -23.080 -13.514 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -10.320 -24.706 -14.114 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -11.181 -25.584 -12.865 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -12.935 -27.257 -13.515 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.410 -25.400 -16.399 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.502 -29.012 -15.138 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -10.977 -27.152 -18.026 1.00 0.00 H new ATOM 0 HZ PHE A 20 -12.522 -28.964 -17.396 1.00 0.00 H new ATOM 264 N GLY A 21 -12.261 -23.245 -16.079 1.00 0.00 N ATOM 265 CA GLY A 21 -12.799 -23.023 -17.409 1.00 0.00 C ATOM 266 C GLY A 21 -11.773 -22.441 -18.360 1.00 0.00 C ATOM 267 O GLY A 21 -10.688 -22.997 -18.532 1.00 0.00 O ATOM 0 H GLY A 21 -11.304 -22.918 -15.944 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.168 -23.967 -17.811 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.653 -22.349 -17.344 1.00 0.00 H new ATOM 271 N PHE A 22 -12.115 -21.317 -18.981 1.00 0.00 N ATOM 272 CA PHE A 22 -11.216 -20.659 -19.922 1.00 0.00 C ATOM 273 C PHE A 22 -11.567 -19.182 -20.069 1.00 0.00 C ATOM 274 O PHE A 22 -12.612 -18.732 -19.597 1.00 0.00 O ATOM 275 CB PHE A 22 -11.280 -21.348 -21.287 1.00 0.00 C ATOM 276 CG PHE A 22 -10.555 -22.663 -21.329 1.00 0.00 C ATOM 277 CD1 PHE A 22 -9.205 -22.735 -21.028 1.00 0.00 C ATOM 278 CD2 PHE A 22 -11.225 -23.827 -21.670 1.00 0.00 C ATOM 279 CE1 PHE A 22 -8.535 -23.944 -21.067 1.00 0.00 C ATOM 280 CE2 PHE A 22 -10.561 -25.039 -21.711 1.00 0.00 C ATOM 281 CZ PHE A 22 -9.215 -25.097 -21.408 1.00 0.00 C ATOM 0 H PHE A 22 -13.008 -20.843 -18.850 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.202 -20.735 -19.530 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -12.324 -21.509 -21.555 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -10.856 -20.684 -22.040 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.669 -21.836 -20.760 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -12.278 -23.787 -21.906 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.482 -23.987 -20.831 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -11.094 -25.939 -21.980 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.695 -26.043 -21.438 1.00 0.00 H new ATOM 291 N ILE A 23 -10.687 -18.433 -20.724 1.00 0.00 N ATOM 292 CA ILE A 23 -10.905 -17.006 -20.933 1.00 0.00 C ATOM 293 C ILE A 23 -10.297 -16.546 -22.254 1.00 0.00 C ATOM 294 O ILE A 23 -9.104 -16.255 -22.333 1.00 0.00 O ATOM 295 CB ILE A 23 -10.305 -16.172 -19.786 1.00 0.00 C ATOM 296 CG1 ILE A 23 -10.430 -16.923 -18.459 1.00 0.00 C ATOM 297 CG2 ILE A 23 -10.993 -14.817 -19.701 1.00 0.00 C ATOM 298 CD1 ILE A 23 -9.676 -16.271 -17.322 1.00 0.00 C ATOM 0 H ILE A 23 -9.817 -18.789 -21.119 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.984 -16.851 -20.958 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.247 -16.009 -19.990 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.484 -16.996 -18.190 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.063 -17.941 -18.591 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.558 -14.239 -18.886 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.856 -14.280 -20.640 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.058 -14.960 -19.517 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.810 -16.858 -16.413 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.616 -16.222 -17.570 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.058 -15.263 -17.163 1.00 0.00 H new ATOM 310 N LYS A 24 -11.127 -16.480 -23.289 1.00 0.00 N ATOM 311 CA LYS A 24 -10.675 -16.051 -24.607 1.00 0.00 C ATOM 312 C LYS A 24 -10.222 -14.595 -24.580 1.00 0.00 C ATOM 313 O LYS A 24 -11.040 -13.683 -24.452 1.00 0.00 O ATOM 314 CB LYS A 24 -11.793 -16.229 -25.636 1.00 0.00 C ATOM 315 CG LYS A 24 -11.480 -15.613 -26.989 1.00 0.00 C ATOM 316 CD LYS A 24 -12.594 -14.690 -27.452 1.00 0.00 C ATOM 317 CE LYS A 24 -13.578 -15.415 -28.357 1.00 0.00 C ATOM 318 NZ LYS A 24 -14.829 -15.780 -27.637 1.00 0.00 N ATOM 0 H LYS A 24 -12.118 -16.718 -23.240 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.826 -16.672 -24.891 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.988 -17.293 -25.767 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.708 -15.783 -25.246 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.546 -15.055 -26.928 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.332 -16.404 -27.724 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.121 -14.291 -26.585 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.166 -13.840 -27.984 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.822 -14.781 -29.210 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.111 -16.317 -28.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.473 -16.272 -28.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.600 -16.405 -26.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.289 -14.918 -27.281 1.00 0.00 H new ATOM 332 N CYS A 25 -8.916 -14.383 -24.703 1.00 0.00 N ATOM 333 CA CYS A 25 -8.355 -13.037 -24.693 1.00 0.00 C ATOM 334 C CYS A 25 -8.723 -12.286 -25.968 1.00 0.00 C ATOM 335 O CYS A 25 -8.956 -12.893 -27.014 1.00 0.00 O ATOM 336 CB CYS A 25 -6.835 -13.097 -24.542 1.00 0.00 C ATOM 337 SG CYS A 25 -6.093 -11.565 -23.931 1.00 0.00 S ATOM 0 H CYS A 25 -8.226 -15.126 -24.811 1.00 0.00 H new ATOM 0 HA CYS A 25 -8.776 -12.500 -23.843 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.580 -13.909 -23.861 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.394 -13.342 -25.508 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.998 -10.857 -23.324 1.00 0.00 H new ATOM 343 N VAL A 26 -8.774 -10.961 -25.875 1.00 0.00 N ATOM 344 CA VAL A 26 -9.114 -10.126 -27.021 1.00 0.00 C ATOM 345 C VAL A 26 -7.881 -9.822 -27.864 1.00 0.00 C ATOM 346 O VAL A 26 -7.975 -9.640 -29.078 1.00 0.00 O ATOM 347 CB VAL A 26 -9.758 -8.799 -26.577 1.00 0.00 C ATOM 348 CG1 VAL A 26 -10.897 -9.058 -25.603 1.00 0.00 C ATOM 349 CG2 VAL A 26 -8.715 -7.881 -25.958 1.00 0.00 C ATOM 0 H VAL A 26 -8.584 -10.443 -25.017 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.831 -10.687 -27.620 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.169 -8.303 -27.456 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.340 -8.109 -25.300 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.655 -9.675 -26.086 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.513 -9.576 -24.724 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.188 -6.948 -25.650 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.272 -8.367 -25.089 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.937 -7.668 -26.691 1.00 0.00 H new ATOM 359 N ASP A 27 -6.724 -9.769 -27.213 1.00 0.00 N ATOM 360 CA ASP A 27 -5.470 -9.489 -27.903 1.00 0.00 C ATOM 361 C ASP A 27 -4.892 -10.760 -28.517 1.00 0.00 C ATOM 362 O ASP A 27 -4.415 -10.752 -29.652 1.00 0.00 O ATOM 363 CB ASP A 27 -4.459 -8.868 -26.938 1.00 0.00 C ATOM 364 CG ASP A 27 -3.507 -7.913 -27.631 1.00 0.00 C ATOM 365 OD1 ASP A 27 -3.898 -7.332 -28.665 1.00 0.00 O ATOM 366 OD2 ASP A 27 -2.372 -7.746 -27.139 1.00 0.00 O ATOM 0 H ASP A 27 -6.628 -9.916 -26.208 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.676 -8.781 -28.705 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.993 -8.336 -26.150 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.887 -9.661 -26.456 1.00 0.00 H new ATOM 371 N ARG A 28 -4.936 -11.850 -27.758 1.00 0.00 N ATOM 372 CA ARG A 28 -4.415 -13.129 -28.226 1.00 0.00 C ATOM 373 C ARG A 28 -5.537 -14.008 -28.769 1.00 0.00 C ATOM 374 O ARG A 28 -6.716 -13.749 -28.525 1.00 0.00 O ATOM 375 CB ARG A 28 -3.688 -13.853 -27.092 1.00 0.00 C ATOM 376 CG ARG A 28 -2.178 -13.679 -27.126 1.00 0.00 C ATOM 377 CD ARG A 28 -1.498 -14.847 -27.823 1.00 0.00 C ATOM 378 NE ARG A 28 -0.524 -15.507 -26.958 1.00 0.00 N ATOM 379 CZ ARG A 28 0.653 -14.980 -26.640 1.00 0.00 C ATOM 380 NH1 ARG A 28 1.000 -13.791 -27.112 1.00 0.00 N ATOM 381 NH2 ARG A 28 1.486 -15.643 -25.847 1.00 0.00 N ATOM 0 H ARG A 28 -5.327 -11.873 -26.816 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.709 -12.932 -29.033 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.066 -13.487 -26.138 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.924 -14.916 -27.141 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.929 -12.751 -27.642 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.798 -13.590 -26.108 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.251 -15.569 -28.139 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.000 -14.491 -28.725 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.761 -16.423 -26.577 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.362 -13.278 -27.721 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.905 -13.389 -26.866 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.222 -16.558 -25.481 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.390 -15.237 -25.603 1.00 0.00 H new ATOM 395 N ASP A 29 -5.163 -15.048 -29.506 1.00 0.00 N ATOM 396 CA ASP A 29 -6.138 -15.966 -30.083 1.00 0.00 C ATOM 397 C ASP A 29 -6.130 -17.302 -29.345 1.00 0.00 C ATOM 398 O ASP A 29 -6.262 -18.362 -29.957 1.00 0.00 O ATOM 399 CB ASP A 29 -5.845 -16.188 -31.568 1.00 0.00 C ATOM 400 CG ASP A 29 -5.983 -14.916 -32.381 1.00 0.00 C ATOM 401 OD1 ASP A 29 -5.298 -13.925 -32.052 1.00 0.00 O ATOM 402 OD2 ASP A 29 -6.777 -14.911 -33.345 1.00 0.00 O ATOM 0 H ASP A 29 -4.192 -15.276 -29.718 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.127 -15.519 -29.978 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.834 -16.581 -31.681 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.526 -16.943 -31.961 1.00 0.00 H new ATOM 407 N VAL A 30 -5.971 -17.243 -28.027 1.00 0.00 N ATOM 408 CA VAL A 30 -5.946 -18.447 -27.205 1.00 0.00 C ATOM 409 C VAL A 30 -6.733 -18.250 -25.915 1.00 0.00 C ATOM 410 O VAL A 30 -7.241 -17.161 -25.646 1.00 0.00 O ATOM 411 CB VAL A 30 -4.503 -18.857 -26.855 1.00 0.00 C ATOM 412 CG1 VAL A 30 -3.645 -18.916 -28.110 1.00 0.00 C ATOM 413 CG2 VAL A 30 -3.908 -17.895 -25.838 1.00 0.00 C ATOM 0 H VAL A 30 -5.858 -16.374 -27.505 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.410 -19.240 -27.792 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.524 -19.852 -26.411 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.629 -19.207 -27.843 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.062 -19.648 -28.802 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.628 -17.935 -28.586 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.888 -18.200 -25.602 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.899 -16.887 -26.253 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.510 -17.908 -24.929 1.00 0.00 H new ATOM 423 N ARG A 31 -6.832 -19.310 -25.120 1.00 0.00 N ATOM 424 CA ARG A 31 -7.558 -19.253 -23.858 1.00 0.00 C ATOM 425 C ARG A 31 -6.596 -19.123 -22.681 1.00 0.00 C ATOM 426 O ARG A 31 -5.467 -19.610 -22.734 1.00 0.00 O ATOM 427 CB ARG A 31 -8.423 -20.504 -23.686 1.00 0.00 C ATOM 428 CG ARG A 31 -9.366 -20.757 -24.851 1.00 0.00 C ATOM 429 CD ARG A 31 -10.258 -21.961 -24.595 1.00 0.00 C ATOM 430 NE ARG A 31 -10.676 -22.607 -25.836 1.00 0.00 N ATOM 431 CZ ARG A 31 -11.603 -22.111 -26.647 1.00 0.00 C ATOM 432 NH1 ARG A 31 -12.205 -20.968 -26.350 1.00 0.00 N ATOM 433 NH2 ARG A 31 -11.929 -22.757 -27.759 1.00 0.00 N ATOM 0 H ARG A 31 -6.418 -20.219 -25.328 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.201 -18.373 -23.878 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.773 -21.370 -23.561 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.007 -20.409 -22.771 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.984 -19.875 -25.019 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.787 -20.919 -25.760 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.726 -22.681 -23.973 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.139 -21.647 -24.035 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.231 -23.488 -26.094 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.956 -20.467 -25.497 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.917 -20.589 -26.975 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.467 -23.636 -27.992 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.641 -22.375 -28.381 1.00 0.00 H new ATOM 447 N MET A 32 -7.050 -18.462 -21.622 1.00 0.00 N ATOM 448 CA MET A 32 -6.229 -18.268 -20.432 1.00 0.00 C ATOM 449 C MET A 32 -6.837 -18.983 -19.230 1.00 0.00 C ATOM 450 O MET A 32 -7.395 -18.348 -18.335 1.00 0.00 O ATOM 451 CB MET A 32 -6.076 -16.776 -20.130 1.00 0.00 C ATOM 452 CG MET A 32 -5.471 -16.491 -18.765 1.00 0.00 C ATOM 453 SD MET A 32 -4.115 -15.306 -18.839 1.00 0.00 S ATOM 454 CE MET A 32 -2.733 -16.342 -18.363 1.00 0.00 C ATOM 0 H MET A 32 -7.982 -18.051 -21.563 1.00 0.00 H new ATOM 0 HA MET A 32 -5.245 -18.695 -20.626 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.451 -16.321 -20.898 1.00 0.00 H new ATOM 0 HB3 MET A 32 -7.054 -16.299 -20.191 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.246 -16.109 -18.101 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.110 -17.423 -18.330 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.801 -15.798 -18.515 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.827 -16.614 -17.312 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.729 -17.246 -18.972 1.00 0.00 H new ATOM 464 N PHE A 33 -6.725 -20.307 -19.215 1.00 0.00 N ATOM 465 CA PHE A 33 -7.264 -21.108 -18.123 1.00 0.00 C ATOM 466 C PHE A 33 -7.090 -20.393 -16.786 1.00 0.00 C ATOM 467 O PHE A 33 -6.135 -19.640 -16.592 1.00 0.00 O ATOM 468 CB PHE A 33 -6.577 -22.474 -18.077 1.00 0.00 C ATOM 469 CG PHE A 33 -6.584 -23.103 -16.713 1.00 0.00 C ATOM 470 CD1 PHE A 33 -5.589 -22.807 -15.795 1.00 0.00 C ATOM 471 CD2 PHE A 33 -7.585 -23.989 -16.348 1.00 0.00 C ATOM 472 CE1 PHE A 33 -5.592 -23.385 -14.539 1.00 0.00 C ATOM 473 CE2 PHE A 33 -7.593 -24.569 -15.093 1.00 0.00 C ATOM 474 CZ PHE A 33 -6.596 -24.266 -14.188 1.00 0.00 C ATOM 0 H PHE A 33 -6.265 -20.848 -19.947 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.330 -21.251 -18.302 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -7.072 -23.144 -18.780 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.546 -22.365 -18.413 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.803 -22.117 -16.064 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.368 -24.229 -17.052 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.810 -23.148 -13.833 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.379 -25.258 -14.821 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.601 -24.717 -13.207 1.00 0.00 H new ATOM 484 N PHE A 34 -8.019 -20.634 -15.867 1.00 0.00 N ATOM 485 CA PHE A 34 -7.969 -20.013 -14.549 1.00 0.00 C ATOM 486 C PHE A 34 -8.679 -20.879 -13.513 1.00 0.00 C ATOM 487 O PHE A 34 -9.501 -21.730 -13.856 1.00 0.00 O ATOM 488 CB PHE A 34 -8.608 -18.623 -14.593 1.00 0.00 C ATOM 489 CG PHE A 34 -10.093 -18.652 -14.820 1.00 0.00 C ATOM 490 CD1 PHE A 34 -10.614 -19.109 -16.020 1.00 0.00 C ATOM 491 CD2 PHE A 34 -10.967 -18.224 -13.835 1.00 0.00 C ATOM 492 CE1 PHE A 34 -11.979 -19.137 -16.232 1.00 0.00 C ATOM 493 CE2 PHE A 34 -12.333 -18.249 -14.041 1.00 0.00 C ATOM 494 CZ PHE A 34 -12.840 -18.707 -15.241 1.00 0.00 C ATOM 0 H PHE A 34 -8.815 -21.255 -16.011 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.923 -19.916 -14.260 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.402 -18.107 -13.655 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.139 -18.041 -15.386 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.946 -19.447 -16.798 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.576 -17.866 -12.894 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -12.373 -19.495 -17.172 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.003 -17.911 -13.265 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.907 -18.729 -15.404 1.00 0.00 H new ATOM 504 N HIS A 35 -8.356 -20.656 -12.243 1.00 0.00 N ATOM 505 CA HIS A 35 -8.963 -21.416 -11.155 1.00 0.00 C ATOM 506 C HIS A 35 -9.966 -20.560 -10.388 1.00 0.00 C ATOM 507 O HIS A 35 -9.873 -19.332 -10.381 1.00 0.00 O ATOM 508 CB HIS A 35 -7.884 -21.934 -10.204 1.00 0.00 C ATOM 509 CG HIS A 35 -7.492 -23.357 -10.461 1.00 0.00 C ATOM 510 ND1 HIS A 35 -8.378 -24.410 -10.371 1.00 0.00 N ATOM 511 CD2 HIS A 35 -6.301 -23.898 -10.809 1.00 0.00 C ATOM 512 CE1 HIS A 35 -7.748 -25.537 -10.651 1.00 0.00 C ATOM 513 NE2 HIS A 35 -6.486 -25.254 -10.920 1.00 0.00 N ATOM 0 H HIS A 35 -7.678 -19.956 -11.942 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.493 -22.264 -11.588 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.001 -21.301 -10.291 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.242 -21.844 -9.178 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.377 -23.363 -10.970 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.190 -26.522 -10.659 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.766 -25.932 -11.170 1.00 0.00 H new ATOM 521 N PHE A 36 -10.924 -21.216 -9.742 1.00 0.00 N ATOM 522 CA PHE A 36 -11.946 -20.515 -8.973 1.00 0.00 C ATOM 523 C PHE A 36 -11.432 -20.163 -7.580 1.00 0.00 C ATOM 524 O PHE A 36 -12.175 -20.220 -6.600 1.00 0.00 O ATOM 525 CB PHE A 36 -13.209 -21.372 -8.862 1.00 0.00 C ATOM 526 CG PHE A 36 -14.393 -20.789 -9.578 1.00 0.00 C ATOM 527 CD1 PHE A 36 -14.255 -20.243 -10.844 1.00 0.00 C ATOM 528 CD2 PHE A 36 -15.646 -20.787 -8.985 1.00 0.00 C ATOM 529 CE1 PHE A 36 -15.343 -19.706 -11.505 1.00 0.00 C ATOM 530 CE2 PHE A 36 -16.738 -20.252 -9.641 1.00 0.00 C ATOM 531 CZ PHE A 36 -16.586 -19.710 -10.903 1.00 0.00 C ATOM 0 H PHE A 36 -11.014 -22.232 -9.736 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.188 -19.590 -9.496 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -13.002 -22.363 -9.265 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.459 -21.502 -7.809 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -13.285 -20.237 -11.320 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -15.770 -21.209 -7.998 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -15.222 -19.284 -12.491 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -17.709 -20.257 -9.168 1.00 0.00 H new ATOM 0 HZ PHE A 36 -17.438 -19.290 -11.418 1.00 0.00 H new ATOM 541 N SER A 37 -10.156 -19.800 -7.501 1.00 0.00 N ATOM 542 CA SER A 37 -9.540 -19.443 -6.228 1.00 0.00 C ATOM 543 C SER A 37 -8.987 -18.022 -6.271 1.00 0.00 C ATOM 544 O SER A 37 -8.727 -17.415 -5.233 1.00 0.00 O ATOM 545 CB SER A 37 -8.421 -20.428 -5.884 1.00 0.00 C ATOM 546 OG SER A 37 -8.891 -21.456 -5.029 1.00 0.00 O ATOM 0 H SER A 37 -9.528 -19.745 -8.303 1.00 0.00 H new ATOM 0 HA SER A 37 -10.307 -19.492 -5.455 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.023 -20.866 -6.800 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.600 -19.897 -5.402 1.00 0.00 H new ATOM 0 HG SER A 37 -8.157 -22.073 -4.826 1.00 0.00 H new ATOM 552 N GLU A 38 -8.810 -17.500 -7.481 1.00 0.00 N ATOM 553 CA GLU A 38 -8.286 -16.151 -7.660 1.00 0.00 C ATOM 554 C GLU A 38 -9.422 -15.136 -7.766 1.00 0.00 C ATOM 555 O GLU A 38 -9.197 -13.928 -7.689 1.00 0.00 O ATOM 556 CB GLU A 38 -7.408 -16.082 -8.911 1.00 0.00 C ATOM 557 CG GLU A 38 -6.191 -16.990 -8.850 1.00 0.00 C ATOM 558 CD GLU A 38 -6.548 -18.456 -8.990 1.00 0.00 C ATOM 559 OE1 GLU A 38 -7.440 -18.774 -9.804 1.00 0.00 O ATOM 560 OE2 GLU A 38 -5.938 -19.286 -8.285 1.00 0.00 O ATOM 0 H GLU A 38 -9.021 -17.990 -8.350 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.681 -15.905 -6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.008 -16.350 -9.781 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.077 -15.054 -9.056 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.495 -16.712 -9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.674 -16.835 -7.903 1.00 0.00 H new ATOM 567 N ILE A 39 -10.639 -15.637 -7.944 1.00 0.00 N ATOM 568 CA ILE A 39 -11.809 -14.775 -8.061 1.00 0.00 C ATOM 569 C ILE A 39 -12.149 -14.125 -6.724 1.00 0.00 C ATOM 570 O ILE A 39 -13.112 -13.365 -6.617 1.00 0.00 O ATOM 571 CB ILE A 39 -13.037 -15.557 -8.565 1.00 0.00 C ATOM 572 CG1 ILE A 39 -12.698 -16.303 -9.858 1.00 0.00 C ATOM 573 CG2 ILE A 39 -14.212 -14.616 -8.782 1.00 0.00 C ATOM 574 CD1 ILE A 39 -13.807 -17.213 -10.338 1.00 0.00 C ATOM 0 H ILE A 39 -10.841 -16.635 -8.010 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.559 -14.001 -8.786 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.319 -16.289 -7.808 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.471 -15.577 -10.638 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.796 -16.894 -9.701 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.072 -15.184 -9.138 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.465 -14.126 -7.841 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.943 -13.863 -9.522 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.498 -17.709 -11.258 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.019 -17.962 -9.575 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.705 -16.624 -10.527 1.00 0.00 H new ATOM 586 N LEU A 40 -11.350 -14.427 -5.706 1.00 0.00 N ATOM 587 CA LEU A 40 -11.564 -13.871 -4.375 1.00 0.00 C ATOM 588 C LEU A 40 -11.663 -12.350 -4.430 1.00 0.00 C ATOM 589 O LEU A 40 -12.208 -11.720 -3.522 1.00 0.00 O ATOM 590 CB LEU A 40 -10.428 -14.286 -3.438 1.00 0.00 C ATOM 591 CG LEU A 40 -9.010 -14.099 -3.979 1.00 0.00 C ATOM 592 CD1 LEU A 40 -8.679 -12.621 -4.108 1.00 0.00 C ATOM 593 CD2 LEU A 40 -8.000 -14.798 -3.081 1.00 0.00 C ATOM 0 H LEU A 40 -10.548 -15.054 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.505 -14.265 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.521 -13.717 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.562 -15.337 -3.181 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.957 -14.550 -4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.666 -12.507 -4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.384 -12.149 -4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.750 -12.146 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.996 -14.654 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.054 -14.377 -2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.225 -15.864 -3.041 1.00 0.00 H new ATOM 605 N ASP A 41 -11.136 -11.766 -5.500 1.00 0.00 N ATOM 606 CA ASP A 41 -11.167 -10.319 -5.675 1.00 0.00 C ATOM 607 C ASP A 41 -12.546 -9.761 -5.337 1.00 0.00 C ATOM 608 O ASP A 41 -12.677 -8.607 -4.931 1.00 0.00 O ATOM 609 CB ASP A 41 -10.792 -9.950 -7.111 1.00 0.00 C ATOM 610 CG ASP A 41 -10.363 -8.501 -7.243 1.00 0.00 C ATOM 611 OD1 ASP A 41 -11.249 -7.623 -7.295 1.00 0.00 O ATOM 612 OD2 ASP A 41 -9.141 -8.246 -7.295 1.00 0.00 O ATOM 0 H ASP A 41 -10.682 -12.273 -6.260 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.439 -9.879 -4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.984 -10.598 -7.450 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.644 -10.135 -7.765 1.00 0.00 H new ATOM 617 N GLY A 42 -13.573 -10.588 -5.509 1.00 0.00 N ATOM 618 CA GLY A 42 -14.928 -10.158 -5.219 1.00 0.00 C ATOM 619 C GLY A 42 -15.719 -9.846 -6.474 1.00 0.00 C ATOM 620 O GLY A 42 -15.822 -8.689 -6.879 1.00 0.00 O ATOM 0 H GLY A 42 -13.490 -11.548 -5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.440 -10.937 -4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.897 -9.273 -4.584 1.00 0.00 H new ATOM 624 N ASN A 43 -16.277 -10.882 -7.093 1.00 0.00 N ATOM 625 CA ASN A 43 -17.061 -10.713 -8.311 1.00 0.00 C ATOM 626 C ASN A 43 -17.409 -12.065 -8.926 1.00 0.00 C ATOM 627 O ASN A 43 -16.524 -12.864 -9.233 1.00 0.00 O ATOM 628 CB ASN A 43 -16.291 -9.862 -9.324 1.00 0.00 C ATOM 629 CG ASN A 43 -16.738 -8.413 -9.320 1.00 0.00 C ATOM 630 OD1 ASN A 43 -17.923 -8.118 -9.478 1.00 0.00 O ATOM 631 ND2 ASN A 43 -15.790 -7.502 -9.140 1.00 0.00 N ATOM 0 H ASN A 43 -16.201 -11.847 -6.771 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.988 -10.204 -8.049 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -15.225 -9.911 -9.100 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -16.427 -10.279 -10.322 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -16.031 -6.511 -9.129 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.821 -7.793 -9.013 1.00 0.00 H new ATOM 638 N GLN A 44 -18.702 -12.312 -9.104 1.00 0.00 N ATOM 639 CA GLN A 44 -19.167 -13.568 -9.683 1.00 0.00 C ATOM 640 C GLN A 44 -18.949 -13.585 -11.192 1.00 0.00 C ATOM 641 O GLN A 44 -19.359 -12.663 -11.900 1.00 0.00 O ATOM 642 CB GLN A 44 -20.648 -13.782 -9.366 1.00 0.00 C ATOM 643 CG GLN A 44 -20.899 -14.876 -8.341 1.00 0.00 C ATOM 644 CD GLN A 44 -22.363 -15.003 -7.970 1.00 0.00 C ATOM 645 OE1 GLN A 44 -23.128 -14.044 -8.074 1.00 0.00 O ATOM 646 NE2 GLN A 44 -22.763 -16.192 -7.534 1.00 0.00 N ATOM 0 H GLN A 44 -19.446 -11.660 -8.856 1.00 0.00 H new ATOM 0 HA GLN A 44 -18.588 -14.379 -9.242 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -21.071 -12.847 -8.998 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.176 -14.030 -10.287 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -20.545 -15.828 -8.737 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.317 -14.668 -7.443 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.096 -16.960 -7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.738 -16.337 -7.270 1.00 0.00 H new ATOM 655 N LEU A 45 -18.302 -14.637 -11.679 1.00 0.00 N ATOM 656 CA LEU A 45 -18.029 -14.775 -13.106 1.00 0.00 C ATOM 657 C LEU A 45 -19.246 -15.325 -13.843 1.00 0.00 C ATOM 658 O LEU A 45 -20.179 -15.841 -13.224 1.00 0.00 O ATOM 659 CB LEU A 45 -16.826 -15.692 -13.329 1.00 0.00 C ATOM 660 CG LEU A 45 -15.455 -15.088 -13.022 1.00 0.00 C ATOM 661 CD1 LEU A 45 -15.005 -14.181 -14.156 1.00 0.00 C ATOM 662 CD2 LEU A 45 -15.493 -14.323 -11.707 1.00 0.00 C ATOM 0 H LEU A 45 -17.956 -15.408 -11.107 1.00 0.00 H new ATOM 0 HA LEU A 45 -17.803 -13.786 -13.504 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.954 -16.582 -12.714 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.832 -16.019 -14.369 1.00 0.00 H new ATOM 0 HG LEU A 45 -14.734 -15.900 -12.927 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -14.028 -13.760 -13.920 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -14.938 -14.758 -15.079 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.726 -13.374 -14.284 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -14.509 -13.900 -11.504 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.227 -13.520 -11.774 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -15.770 -15.001 -10.900 1.00 0.00 H new ATOM 674 N HIS A 46 -19.230 -15.214 -15.167 1.00 0.00 N ATOM 675 CA HIS A 46 -20.332 -15.703 -15.989 1.00 0.00 C ATOM 676 C HIS A 46 -19.937 -15.738 -17.462 1.00 0.00 C ATOM 677 O HIS A 46 -19.154 -14.907 -17.924 1.00 0.00 O ATOM 678 CB HIS A 46 -21.567 -14.822 -15.801 1.00 0.00 C ATOM 679 CG HIS A 46 -22.774 -15.574 -15.332 1.00 0.00 C ATOM 680 ND1 HIS A 46 -22.759 -16.417 -14.240 1.00 0.00 N ATOM 681 CD2 HIS A 46 -24.039 -15.606 -15.812 1.00 0.00 C ATOM 682 CE1 HIS A 46 -23.962 -16.936 -14.071 1.00 0.00 C ATOM 683 NE2 HIS A 46 -24.758 -16.460 -15.011 1.00 0.00 N ATOM 0 H HIS A 46 -18.467 -14.790 -15.694 1.00 0.00 H new ATOM 0 HA HIS A 46 -20.568 -16.718 -15.670 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.336 -14.036 -15.081 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.800 -14.331 -16.746 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -21.946 -16.609 -13.655 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -24.414 -15.061 -16.666 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -24.246 -17.632 -13.295 1.00 0.00 H new ATOM 691 N ILE A 47 -20.482 -16.705 -18.193 1.00 0.00 N ATOM 692 CA ILE A 47 -20.187 -16.847 -19.613 1.00 0.00 C ATOM 693 C ILE A 47 -20.150 -15.489 -20.306 1.00 0.00 C ATOM 694 O ILE A 47 -21.158 -14.785 -20.369 1.00 0.00 O ATOM 695 CB ILE A 47 -21.224 -17.742 -20.317 1.00 0.00 C ATOM 696 CG1 ILE A 47 -21.221 -19.143 -19.703 1.00 0.00 C ATOM 697 CG2 ILE A 47 -20.937 -17.811 -21.810 1.00 0.00 C ATOM 698 CD1 ILE A 47 -19.914 -19.882 -19.889 1.00 0.00 C ATOM 0 H ILE A 47 -21.130 -17.401 -17.825 1.00 0.00 H new ATOM 0 HA ILE A 47 -19.206 -17.316 -19.686 1.00 0.00 H new ATOM 0 HB ILE A 47 -22.213 -17.307 -20.177 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -21.436 -19.064 -18.637 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -22.026 -19.728 -20.148 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -21.678 -18.447 -22.294 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -20.985 -16.809 -22.236 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -19.942 -18.226 -21.970 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -19.985 -20.868 -19.429 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -19.707 -19.993 -20.953 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -19.108 -19.319 -19.419 1.00 0.00 H new ATOM 710 N ALA A 48 -18.981 -15.127 -20.825 1.00 0.00 N ATOM 711 CA ALA A 48 -18.814 -13.855 -21.517 1.00 0.00 C ATOM 712 C ALA A 48 -18.655 -12.708 -20.525 1.00 0.00 C ATOM 713 O ALA A 48 -19.353 -11.698 -20.613 1.00 0.00 O ATOM 714 CB ALA A 48 -19.995 -13.597 -22.441 1.00 0.00 C ATOM 0 H ALA A 48 -18.136 -15.697 -20.779 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.905 -13.912 -22.116 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.856 -12.644 -22.951 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.061 -14.397 -23.179 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -20.914 -13.565 -21.856 1.00 0.00 H new ATOM 720 N ASP A 49 -17.733 -12.870 -19.582 1.00 0.00 N ATOM 721 CA ASP A 49 -17.482 -11.847 -18.574 1.00 0.00 C ATOM 722 C ASP A 49 -16.061 -11.306 -18.691 1.00 0.00 C ATOM 723 O ASP A 49 -15.099 -12.070 -18.756 1.00 0.00 O ATOM 724 CB ASP A 49 -17.711 -12.415 -17.172 1.00 0.00 C ATOM 725 CG ASP A 49 -19.079 -12.064 -16.621 1.00 0.00 C ATOM 726 OD1 ASP A 49 -19.551 -10.936 -16.878 1.00 0.00 O ATOM 727 OD2 ASP A 49 -19.678 -12.917 -15.934 1.00 0.00 O ATOM 0 H ASP A 49 -17.147 -13.700 -19.495 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.179 -11.026 -18.743 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.601 -13.499 -17.200 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.943 -12.034 -16.499 1.00 0.00 H new ATOM 732 N GLU A 50 -15.938 -9.982 -18.717 1.00 0.00 N ATOM 733 CA GLU A 50 -14.633 -9.339 -18.828 1.00 0.00 C ATOM 734 C GLU A 50 -13.929 -9.300 -17.475 1.00 0.00 C ATOM 735 O GLU A 50 -14.536 -8.974 -16.456 1.00 0.00 O ATOM 736 CB GLU A 50 -14.785 -7.919 -19.378 1.00 0.00 C ATOM 737 CG GLU A 50 -15.778 -7.813 -20.523 1.00 0.00 C ATOM 738 CD GLU A 50 -16.844 -6.763 -20.275 1.00 0.00 C ATOM 739 OE1 GLU A 50 -16.516 -5.559 -20.337 1.00 0.00 O ATOM 740 OE2 GLU A 50 -18.005 -7.145 -20.019 1.00 0.00 O ATOM 0 H GLU A 50 -16.725 -9.335 -18.663 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.025 -9.925 -19.517 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.102 -7.258 -18.571 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.812 -7.564 -19.718 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.243 -7.573 -21.442 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.255 -8.781 -20.676 1.00 0.00 H new ATOM 747 N VAL A 51 -12.643 -9.637 -17.474 1.00 0.00 N ATOM 748 CA VAL A 51 -11.854 -9.640 -16.248 1.00 0.00 C ATOM 749 C VAL A 51 -10.455 -9.088 -16.493 1.00 0.00 C ATOM 750 O VAL A 51 -10.046 -8.892 -17.637 1.00 0.00 O ATOM 751 CB VAL A 51 -11.739 -11.058 -15.659 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.114 -11.601 -15.300 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.030 -11.984 -16.635 1.00 0.00 C ATOM 0 H VAL A 51 -12.125 -9.912 -18.309 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.374 -8.999 -15.535 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.146 -11.006 -14.746 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.012 -12.604 -14.885 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.581 -10.949 -14.562 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.735 -11.640 -16.195 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.957 -12.982 -16.202 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.594 -12.032 -17.566 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.029 -11.602 -16.837 1.00 0.00 H new ATOM 763 N GLU A 52 -9.724 -8.840 -15.410 1.00 0.00 N ATOM 764 CA GLU A 52 -8.369 -8.310 -15.509 1.00 0.00 C ATOM 765 C GLU A 52 -7.412 -9.094 -14.615 1.00 0.00 C ATOM 766 O GLU A 52 -7.658 -9.263 -13.421 1.00 0.00 O ATOM 767 CB GLU A 52 -8.348 -6.830 -15.122 1.00 0.00 C ATOM 768 CG GLU A 52 -7.084 -6.106 -15.555 1.00 0.00 C ATOM 769 CD GLU A 52 -7.370 -4.755 -16.180 1.00 0.00 C ATOM 770 OE1 GLU A 52 -7.788 -3.837 -15.443 1.00 0.00 O ATOM 771 OE2 GLU A 52 -7.177 -4.614 -17.406 1.00 0.00 O ATOM 0 H GLU A 52 -10.047 -8.997 -14.455 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.040 -8.413 -16.543 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.211 -6.334 -15.567 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.453 -6.744 -14.041 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.433 -5.972 -14.691 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.542 -6.725 -16.270 1.00 0.00 H new ATOM 778 N PHE A 53 -6.320 -9.571 -15.204 1.00 0.00 N ATOM 779 CA PHE A 53 -5.326 -10.339 -14.463 1.00 0.00 C ATOM 780 C PHE A 53 -3.912 -9.932 -14.867 1.00 0.00 C ATOM 781 O PHE A 53 -3.673 -9.518 -16.002 1.00 0.00 O ATOM 782 CB PHE A 53 -5.526 -11.837 -14.702 1.00 0.00 C ATOM 783 CG PHE A 53 -5.959 -12.168 -16.101 1.00 0.00 C ATOM 784 CD1 PHE A 53 -5.049 -12.147 -17.146 1.00 0.00 C ATOM 785 CD2 PHE A 53 -7.276 -12.502 -16.372 1.00 0.00 C ATOM 786 CE1 PHE A 53 -5.445 -12.450 -18.434 1.00 0.00 C ATOM 787 CE2 PHE A 53 -7.678 -12.807 -17.659 1.00 0.00 C ATOM 788 CZ PHE A 53 -6.761 -12.782 -18.691 1.00 0.00 C ATOM 0 H PHE A 53 -6.101 -9.439 -16.192 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.457 -10.127 -13.402 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.594 -12.359 -14.486 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.272 -12.212 -14.001 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.018 -11.891 -16.951 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.997 -12.524 -15.568 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.726 -12.427 -19.240 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.708 -13.065 -17.857 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.072 -13.022 -19.697 1.00 0.00 H new ATOM 798 N THR A 54 -2.977 -10.052 -13.930 1.00 0.00 N ATOM 799 CA THR A 54 -1.588 -9.695 -14.186 1.00 0.00 C ATOM 800 C THR A 54 -0.886 -10.773 -15.005 1.00 0.00 C ATOM 801 O THR A 54 -0.415 -10.516 -16.113 1.00 0.00 O ATOM 802 CB THR A 54 -0.812 -9.478 -12.874 1.00 0.00 C ATOM 803 OG1 THR A 54 -1.403 -8.408 -12.127 1.00 0.00 O ATOM 804 CG2 THR A 54 0.649 -9.160 -13.155 1.00 0.00 C ATOM 0 H THR A 54 -3.157 -10.394 -12.986 1.00 0.00 H new ATOM 0 HA THR A 54 -1.601 -8.763 -14.750 1.00 0.00 H new ATOM 0 HB THR A 54 -0.861 -10.398 -12.292 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.905 -8.277 -11.293 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.177 -9.011 -12.213 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.104 -9.988 -13.698 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.715 -8.253 -13.755 1.00 0.00 H new ATOM 968 N ASN A 65 1.944 -19.657 -17.377 1.00 0.00 N ATOM 969 CA ASN A 65 1.237 -18.386 -17.267 1.00 0.00 C ATOM 970 C ASN A 65 -0.139 -18.582 -16.638 1.00 0.00 C ATOM 971 O ASN A 65 -1.079 -19.023 -17.300 1.00 0.00 O ATOM 972 CB ASN A 65 1.092 -17.738 -18.646 1.00 0.00 C ATOM 973 CG ASN A 65 0.876 -18.760 -19.745 1.00 0.00 C ATOM 974 OD1 ASN A 65 1.830 -19.262 -20.338 1.00 0.00 O ATOM 975 ND2 ASN A 65 -0.385 -19.072 -20.022 1.00 0.00 N ATOM 0 HA ASN A 65 1.821 -17.728 -16.623 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.253 -17.042 -18.631 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.986 -17.155 -18.866 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.593 -19.753 -20.752 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.145 -18.631 -19.504 1.00 0.00 H new ATOM 982 N HIS A 66 -0.250 -18.250 -15.356 1.00 0.00 N ATOM 983 CA HIS A 66 -1.511 -18.389 -14.637 1.00 0.00 C ATOM 984 C HIS A 66 -2.071 -17.022 -14.254 1.00 0.00 C ATOM 985 O HIS A 66 -1.319 -16.085 -13.989 1.00 0.00 O ATOM 986 CB HIS A 66 -1.317 -19.242 -13.383 1.00 0.00 C ATOM 987 CG HIS A 66 -0.791 -18.473 -12.211 1.00 0.00 C ATOM 988 ND1 HIS A 66 -1.205 -18.698 -10.915 1.00 0.00 N ATOM 989 CD2 HIS A 66 0.124 -17.478 -12.143 1.00 0.00 C ATOM 990 CE1 HIS A 66 -0.570 -17.874 -10.102 1.00 0.00 C ATOM 991 NE2 HIS A 66 0.243 -17.122 -10.822 1.00 0.00 N ATOM 0 H HIS A 66 0.518 -17.883 -14.794 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.224 -18.883 -15.297 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.270 -19.696 -13.111 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -0.630 -20.057 -13.611 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.661 -17.044 -12.974 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.694 -17.823 -9.030 1.00 0.00 H new ATOM 0 HE2 HIS A 66 0.859 -16.396 -10.456 1.00 0.00 H new ATOM 999 N ALA A 67 -3.396 -16.916 -14.229 1.00 0.00 N ATOM 1000 CA ALA A 67 -4.056 -15.665 -13.879 1.00 0.00 C ATOM 1001 C ALA A 67 -4.264 -15.558 -12.372 1.00 0.00 C ATOM 1002 O ALA A 67 -4.867 -16.436 -11.755 1.00 0.00 O ATOM 1003 CB ALA A 67 -5.387 -15.548 -14.607 1.00 0.00 C ATOM 0 H ALA A 67 -4.033 -17.682 -14.447 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.411 -14.843 -14.190 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.869 -14.609 -14.336 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.216 -15.571 -15.683 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.031 -16.381 -14.324 1.00 0.00 H new ATOM 1009 N ILE A 68 -3.762 -14.476 -11.785 1.00 0.00 N ATOM 1010 CA ILE A 68 -3.893 -14.255 -10.351 1.00 0.00 C ATOM 1011 C ILE A 68 -4.847 -13.102 -10.058 1.00 0.00 C ATOM 1012 O ILE A 68 -5.128 -12.279 -10.929 1.00 0.00 O ATOM 1013 CB ILE A 68 -2.530 -13.958 -9.699 1.00 0.00 C ATOM 1014 CG1 ILE A 68 -1.771 -12.905 -10.511 1.00 0.00 C ATOM 1015 CG2 ILE A 68 -1.710 -15.234 -9.580 1.00 0.00 C ATOM 1016 CD1 ILE A 68 -1.044 -11.891 -9.655 1.00 0.00 C ATOM 0 H ILE A 68 -3.261 -13.739 -12.281 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.296 -15.174 -9.926 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.701 -13.565 -8.697 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.051 -13.406 -11.157 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.473 -12.383 -11.161 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.749 -15.007 -9.117 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.248 -15.956 -8.965 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.545 -15.654 -10.572 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.529 -11.176 -10.296 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.762 -11.363 -9.027 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.317 -12.402 -9.024 1.00 0.00 H new ATOM 1028 N ARG A 69 -5.339 -13.047 -8.824 1.00 0.00 N ATOM 1029 CA ARG A 69 -6.260 -11.993 -8.416 1.00 0.00 C ATOM 1030 C ARG A 69 -7.173 -11.591 -9.570 1.00 0.00 C ATOM 1031 O ARG A 69 -6.967 -10.557 -10.206 1.00 0.00 O ATOM 1032 CB ARG A 69 -5.484 -10.773 -7.916 1.00 0.00 C ATOM 1033 CG ARG A 69 -4.579 -11.069 -6.732 1.00 0.00 C ATOM 1034 CD ARG A 69 -5.379 -11.250 -5.451 1.00 0.00 C ATOM 1035 NE ARG A 69 -4.521 -11.538 -4.305 1.00 0.00 N ATOM 1036 CZ ARG A 69 -3.842 -10.608 -3.643 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -3.921 -9.337 -4.011 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -3.082 -10.949 -2.610 1.00 0.00 N ATOM 0 H ARG A 69 -5.115 -13.719 -8.090 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.878 -12.379 -7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.881 -10.377 -8.733 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.192 -9.993 -7.635 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.000 -11.971 -6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.866 -10.254 -6.605 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.956 -10.347 -5.254 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.094 -12.063 -5.582 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.439 -12.507 -3.996 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.504 -9.071 -4.804 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.398 -8.625 -3.501 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.019 -11.926 -2.324 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.561 -10.234 -2.102 1.00 0.00 H new ATOM 1052 N ILE A 70 -8.180 -12.416 -9.835 1.00 0.00 N ATOM 1053 CA ILE A 70 -9.125 -12.146 -10.913 1.00 0.00 C ATOM 1054 C ILE A 70 -10.140 -11.086 -10.500 1.00 0.00 C ATOM 1055 O ILE A 70 -10.805 -11.214 -9.472 1.00 0.00 O ATOM 1056 CB ILE A 70 -9.875 -13.423 -11.337 1.00 0.00 C ATOM 1057 CG1 ILE A 70 -8.904 -14.427 -11.962 1.00 0.00 C ATOM 1058 CG2 ILE A 70 -10.992 -13.081 -12.311 1.00 0.00 C ATOM 1059 CD1 ILE A 70 -9.561 -15.726 -12.373 1.00 0.00 C ATOM 0 H ILE A 70 -8.363 -13.277 -9.319 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.544 -11.779 -11.759 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.318 -13.878 -10.451 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.437 -13.973 -12.836 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.107 -14.641 -11.250 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.513 -13.993 -12.602 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.695 -12.398 -11.834 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.570 -12.606 -13.197 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.814 -16.390 -12.808 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.004 -16.202 -11.498 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.339 -15.523 -13.109 1.00 0.00 H new ATOM 1071 N LYS A 71 -10.257 -10.040 -11.311 1.00 0.00 N ATOM 1072 CA LYS A 71 -11.195 -8.958 -11.034 1.00 0.00 C ATOM 1073 C LYS A 71 -12.030 -8.632 -12.268 1.00 0.00 C ATOM 1074 O LYS A 71 -11.492 -8.313 -13.328 1.00 0.00 O ATOM 1075 CB LYS A 71 -10.441 -7.709 -10.571 1.00 0.00 C ATOM 1076 CG LYS A 71 -11.351 -6.547 -10.214 1.00 0.00 C ATOM 1077 CD LYS A 71 -10.575 -5.245 -10.099 1.00 0.00 C ATOM 1078 CE LYS A 71 -11.335 -4.086 -10.725 1.00 0.00 C ATOM 1079 NZ LYS A 71 -10.640 -2.787 -10.510 1.00 0.00 N ATOM 0 H LYS A 71 -9.714 -9.918 -12.166 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.866 -9.286 -10.240 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.833 -7.963 -9.703 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.757 -7.395 -11.359 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.126 -6.444 -10.974 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.855 -6.755 -9.271 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.379 -5.028 -9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.607 -5.353 -10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.451 -4.263 -11.794 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.337 -4.037 -10.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.189 -2.022 -10.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.551 -2.605 -9.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.693 -2.825 -10.938 1.00 0.00 H new ATOM 1093 N LYS A 72 -13.348 -8.714 -12.123 1.00 0.00 N ATOM 1094 CA LYS A 72 -14.259 -8.425 -13.225 1.00 0.00 C ATOM 1095 C LYS A 72 -14.262 -6.935 -13.552 1.00 0.00 C ATOM 1096 O LYS A 72 -14.352 -6.093 -12.658 1.00 0.00 O ATOM 1097 CB LYS A 72 -15.676 -8.884 -12.875 1.00 0.00 C ATOM 1098 CG LYS A 72 -16.314 -9.755 -13.944 1.00 0.00 C ATOM 1099 CD LYS A 72 -17.348 -10.698 -13.351 1.00 0.00 C ATOM 1100 CE LYS A 72 -18.763 -10.264 -13.700 1.00 0.00 C ATOM 1101 NZ LYS A 72 -19.272 -9.224 -12.764 1.00 0.00 N ATOM 0 H LYS A 72 -13.810 -8.978 -11.253 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.913 -8.971 -14.103 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.648 -9.437 -11.936 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.303 -8.008 -12.710 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.786 -9.123 -14.696 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.542 -10.333 -14.452 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.175 -11.709 -13.721 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.233 -10.731 -12.268 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.783 -9.877 -14.719 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.425 -11.130 -13.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.239 -8.955 -13.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.277 -9.602 -11.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.656 -8.387 -12.806 1.00 0.00 H new ATOM 1115 N LEU A 73 -14.164 -6.616 -14.838 1.00 0.00 N ATOM 1116 CA LEU A 73 -14.158 -5.227 -15.283 1.00 0.00 C ATOM 1117 C LEU A 73 -15.561 -4.773 -15.670 1.00 0.00 C ATOM 1118 O LEU A 73 -16.390 -5.558 -16.132 1.00 0.00 O ATOM 1119 CB LEU A 73 -13.209 -5.057 -16.471 1.00 0.00 C ATOM 1120 CG LEU A 73 -11.759 -5.483 -16.238 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -11.090 -5.842 -17.556 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -10.986 -4.380 -15.530 1.00 0.00 C ATOM 0 H LEU A 73 -14.088 -7.300 -15.591 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.811 -4.607 -14.456 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.604 -5.629 -17.311 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.215 -4.008 -16.768 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.759 -6.367 -15.600 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.059 -6.143 -17.371 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.629 -6.665 -18.025 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.102 -4.976 -18.218 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.956 -4.701 -15.373 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.996 -3.478 -16.142 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.452 -4.170 -14.567 1.00 0.00 H new ATOM 1134 N PRO A 74 -15.837 -3.474 -15.479 1.00 0.00 N ATOM 1135 CA PRO A 74 -17.139 -2.884 -15.803 1.00 0.00 C ATOM 1136 C PRO A 74 -17.386 -2.816 -17.306 1.00 0.00 C ATOM 1137 O PRO A 74 -16.445 -2.764 -18.099 1.00 0.00 O ATOM 1138 CB PRO A 74 -17.048 -1.475 -15.212 1.00 0.00 C ATOM 1139 CG PRO A 74 -15.590 -1.170 -15.184 1.00 0.00 C ATOM 1140 CD PRO A 74 -14.897 -2.481 -14.931 1.00 0.00 C ATOM 0 HA PRO A 74 -17.964 -3.475 -15.405 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -17.592 -0.754 -15.822 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -17.480 -1.436 -14.212 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.265 -0.732 -16.128 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.357 -0.448 -14.401 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.929 -2.526 -15.429 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.717 -2.642 -13.868 1.00 0.00 H new ATOM 1148 N LYS A 75 -18.657 -2.817 -17.693 1.00 0.00 N ATOM 1149 CA LYS A 75 -19.029 -2.753 -19.101 1.00 0.00 C ATOM 1150 C LYS A 75 -18.579 -1.436 -19.724 1.00 0.00 C ATOM 1151 O LYS A 75 -19.100 -0.371 -19.392 1.00 0.00 O ATOM 1152 CB LYS A 75 -20.543 -2.913 -19.258 1.00 0.00 C ATOM 1153 CG LYS A 75 -20.941 -3.922 -20.321 1.00 0.00 C ATOM 1154 CD LYS A 75 -22.290 -4.552 -20.014 1.00 0.00 C ATOM 1155 CE LYS A 75 -23.368 -4.050 -20.962 1.00 0.00 C ATOM 1156 NZ LYS A 75 -24.631 -3.726 -20.243 1.00 0.00 N ATOM 0 H LYS A 75 -19.448 -2.861 -17.050 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.528 -3.570 -19.620 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -20.969 -3.218 -18.302 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -20.978 -1.945 -19.507 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.980 -3.431 -21.293 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.181 -4.701 -20.388 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -22.212 -5.636 -20.091 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -22.573 -4.325 -18.986 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -23.009 -3.163 -21.483 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -23.566 -4.807 -21.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -25.341 -3.387 -20.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -24.988 -4.579 -19.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -24.448 -2.985 -19.536 1.00 0.00 H new ATOM 1170 N GLY A 76 -17.609 -1.515 -20.630 1.00 0.00 N ATOM 1171 CA GLY A 76 -17.107 -0.321 -21.286 1.00 0.00 C ATOM 1172 C GLY A 76 -15.607 -0.366 -21.501 1.00 0.00 C ATOM 1173 O GLY A 76 -15.115 -0.014 -22.574 1.00 0.00 O ATOM 0 H GLY A 76 -17.162 -2.384 -20.921 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.606 -0.202 -22.248 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.359 0.553 -20.686 1.00 0.00 H new ATOM 1177 N THR A 77 -14.876 -0.798 -20.478 1.00 0.00 N ATOM 1178 CA THR A 77 -13.424 -0.884 -20.559 1.00 0.00 C ATOM 1179 C THR A 77 -12.990 -1.803 -21.695 1.00 0.00 C ATOM 1180 O THR A 77 -12.180 -1.422 -22.541 1.00 0.00 O ATOM 1181 CB THR A 77 -12.817 -1.397 -19.239 1.00 0.00 C ATOM 1182 OG1 THR A 77 -13.284 -0.601 -18.144 1.00 0.00 O ATOM 1183 CG2 THR A 77 -11.297 -1.356 -19.291 1.00 0.00 C ATOM 0 H THR A 77 -15.267 -1.094 -19.583 1.00 0.00 H new ATOM 0 HA THR A 77 -13.058 0.125 -20.751 1.00 0.00 H new ATOM 0 HB THR A 77 -13.132 -2.431 -19.096 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.895 -0.934 -17.308 1.00 0.00 H new ATOM 0 HG21 THR A 77 -10.891 -1.723 -18.348 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.944 -1.985 -20.108 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.966 -0.330 -19.454 1.00 0.00 H new ATOM 1191 N VAL A 78 -13.534 -3.015 -21.711 1.00 0.00 N ATOM 1192 CA VAL A 78 -13.205 -3.989 -22.745 1.00 0.00 C ATOM 1193 C VAL A 78 -14.291 -4.044 -23.814 1.00 0.00 C ATOM 1194 O VAL A 78 -15.457 -3.759 -23.543 1.00 0.00 O ATOM 1195 CB VAL A 78 -13.013 -5.396 -22.150 1.00 0.00 C ATOM 1196 CG1 VAL A 78 -12.222 -6.277 -23.106 1.00 0.00 C ATOM 1197 CG2 VAL A 78 -12.324 -5.313 -20.796 1.00 0.00 C ATOM 0 H VAL A 78 -14.206 -3.347 -21.019 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.269 -3.664 -23.199 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.995 -5.847 -22.006 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.096 -7.267 -22.668 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.759 -6.363 -24.050 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.243 -5.832 -23.285 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.197 -6.317 -20.390 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.348 -4.842 -20.913 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.933 -4.721 -20.113 1.00 0.00 H new