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 -169:sc= -0.507 (180deg=-0.776) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -1:sc= 1 USER MOD Single : A 32 MET CE :methyl 151:sc=-0.00295 (180deg=-0.119) USER MOD Single : A 35 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.07) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.55 K(o=-1.6,f=-2.3) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.13) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.58 K(o=-0.58,f=-1.3!) USER MOD Single : A 66 HIS : no HD1:sc= -3.91! C(o=-3.9!,f=-3.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -158:sc= -0.0247 (180deg=-0.246) 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 -1.239 -6.625 -17.581 1.00 0.00 N ATOM 67 CA ARG A 8 -2.534 -7.227 -17.290 1.00 0.00 C ATOM 68 C ARG A 8 -3.366 -7.369 -18.562 1.00 0.00 C ATOM 69 O ARG A 8 -3.609 -6.390 -19.268 1.00 0.00 O ATOM 70 CB ARG A 8 -3.293 -6.385 -16.263 1.00 0.00 C ATOM 71 CG ARG A 8 -3.557 -4.960 -16.719 1.00 0.00 C ATOM 72 CD ARG A 8 -2.973 -3.947 -15.747 1.00 0.00 C ATOM 73 NE ARG A 8 -3.564 -2.622 -15.917 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.498 -1.665 -14.998 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.871 -1.884 -13.851 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.061 -0.485 -15.226 1.00 0.00 N ATOM 0 HA ARG A 8 -2.360 -8.221 -16.877 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.244 -6.869 -16.041 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.724 -6.360 -15.334 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.125 -4.807 -17.708 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -4.631 -4.800 -16.812 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.137 -4.289 -14.725 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.895 -3.884 -15.893 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.054 -2.421 -16.789 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.437 -2.790 -13.672 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.822 -1.147 -13.148 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.545 -0.312 -16.107 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.010 0.249 -14.520 1.00 0.00 H new ATOM 90 N GLU A 9 -3.799 -8.593 -18.847 1.00 0.00 N ATOM 91 CA GLU A 9 -4.601 -8.861 -20.034 1.00 0.00 C ATOM 92 C GLU A 9 -6.081 -8.969 -19.678 1.00 0.00 C ATOM 93 O GLU A 9 -6.436 -9.389 -18.577 1.00 0.00 O ATOM 94 CB GLU A 9 -4.134 -10.151 -20.712 1.00 0.00 C ATOM 95 CG GLU A 9 -2.691 -10.102 -21.186 1.00 0.00 C ATOM 96 CD GLU A 9 -2.293 -11.335 -21.973 1.00 0.00 C ATOM 97 OE1 GLU A 9 -3.195 -12.019 -22.500 1.00 0.00 O ATOM 98 OE2 GLU A 9 -1.080 -11.617 -22.061 1.00 0.00 O ATOM 0 H GLU A 9 -3.608 -9.414 -18.272 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.470 -8.028 -20.724 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.250 -10.981 -20.015 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.781 -10.358 -21.565 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.546 -9.217 -21.806 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.033 -9.998 -20.324 1.00 0.00 H new ATOM 105 N MET A 10 -6.940 -8.585 -20.617 1.00 0.00 N ATOM 106 CA MET A 10 -8.381 -8.638 -20.402 1.00 0.00 C ATOM 107 C MET A 10 -9.064 -9.453 -21.496 1.00 0.00 C ATOM 108 O MET A 10 -8.726 -9.335 -22.674 1.00 0.00 O ATOM 109 CB MET A 10 -8.965 -7.225 -20.364 1.00 0.00 C ATOM 110 CG MET A 10 -8.158 -6.257 -19.514 1.00 0.00 C ATOM 111 SD MET A 10 -6.969 -5.308 -20.482 1.00 0.00 S ATOM 112 CE MET A 10 -7.769 -3.706 -20.525 1.00 0.00 C ATOM 0 H MET A 10 -6.663 -8.234 -21.534 1.00 0.00 H new ATOM 0 HA MET A 10 -8.562 -9.124 -19.444 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.026 -6.838 -21.381 1.00 0.00 H new ATOM 0 HB3 MET A 10 -9.984 -7.272 -19.979 1.00 0.00 H new ATOM 0 HG2 MET A 10 -8.837 -5.572 -19.007 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.629 -6.813 -18.740 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.153 -3.007 -21.091 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.744 -3.799 -21.003 1.00 0.00 H new ATOM 0 HE3 MET A 10 -7.897 -3.336 -19.508 1.00 0.00 H new ATOM 122 N GLY A 11 -10.026 -10.280 -21.099 1.00 0.00 N ATOM 123 CA GLY A 11 -10.740 -11.102 -22.058 1.00 0.00 C ATOM 124 C GLY A 11 -12.063 -11.608 -21.517 1.00 0.00 C ATOM 125 O GLY A 11 -12.415 -11.340 -20.368 1.00 0.00 O ATOM 0 H GLY A 11 -10.324 -10.395 -20.130 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.919 -10.524 -22.965 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.117 -11.951 -22.339 1.00 0.00 H new ATOM 129 N VAL A 12 -12.799 -12.340 -22.347 1.00 0.00 N ATOM 130 CA VAL A 12 -14.091 -12.884 -21.946 1.00 0.00 C ATOM 131 C VAL A 12 -13.963 -14.340 -21.510 1.00 0.00 C ATOM 132 O VAL A 12 -13.070 -15.057 -21.961 1.00 0.00 O ATOM 133 CB VAL A 12 -15.119 -12.791 -23.089 1.00 0.00 C ATOM 134 CG1 VAL A 12 -15.661 -11.374 -23.205 1.00 0.00 C ATOM 135 CG2 VAL A 12 -14.497 -13.242 -24.402 1.00 0.00 C ATOM 0 H VAL A 12 -12.523 -12.570 -23.301 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.439 -12.285 -21.105 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.952 -13.456 -22.861 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.386 -11.327 -24.018 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.145 -11.092 -22.270 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.841 -10.686 -23.410 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.237 -13.170 -25.199 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.645 -12.604 -24.639 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.162 -14.275 -24.310 1.00 0.00 H new ATOM 145 N ILE A 13 -14.862 -14.769 -20.631 1.00 0.00 N ATOM 146 CA ILE A 13 -14.850 -16.140 -20.135 1.00 0.00 C ATOM 147 C ILE A 13 -15.506 -17.090 -21.131 1.00 0.00 C ATOM 148 O ILE A 13 -16.673 -16.926 -21.485 1.00 0.00 O ATOM 149 CB ILE A 13 -15.574 -16.255 -18.780 1.00 0.00 C ATOM 150 CG1 ILE A 13 -14.971 -15.276 -17.771 1.00 0.00 C ATOM 151 CG2 ILE A 13 -15.494 -17.681 -18.257 1.00 0.00 C ATOM 152 CD1 ILE A 13 -13.472 -15.414 -17.617 1.00 0.00 C ATOM 0 H ILE A 13 -15.607 -14.188 -20.248 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.805 -16.419 -20.004 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.624 -16.000 -18.922 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -15.204 -14.257 -18.081 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.444 -15.430 -16.801 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.010 -17.747 -17.299 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -15.966 -18.357 -18.970 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.449 -17.963 -18.126 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.113 -14.689 -16.886 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -13.232 -16.421 -17.277 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -12.989 -15.231 -18.577 1.00 0.00 H new ATOM 164 N ALA A 14 -14.747 -18.085 -21.579 1.00 0.00 N ATOM 165 CA ALA A 14 -15.256 -19.064 -22.532 1.00 0.00 C ATOM 166 C ALA A 14 -15.971 -20.205 -21.816 1.00 0.00 C ATOM 167 O ALA A 14 -16.777 -20.918 -22.415 1.00 0.00 O ATOM 168 CB ALA A 14 -14.121 -19.605 -23.389 1.00 0.00 C ATOM 0 H ALA A 14 -13.778 -18.234 -21.297 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.978 -18.565 -23.178 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.515 -20.335 -24.096 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.655 -18.785 -23.936 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.379 -20.083 -22.750 1.00 0.00 H new ATOM 174 N ALA A 15 -15.671 -20.374 -20.533 1.00 0.00 N ATOM 175 CA ALA A 15 -16.287 -21.428 -19.736 1.00 0.00 C ATOM 176 C ALA A 15 -16.033 -21.211 -18.248 1.00 0.00 C ATOM 177 O ALA A 15 -15.029 -20.615 -17.861 1.00 0.00 O ATOM 178 CB ALA A 15 -15.765 -22.790 -20.169 1.00 0.00 C ATOM 0 H ALA A 15 -15.005 -19.794 -20.023 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.364 -21.393 -19.903 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.233 -23.568 -19.566 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.003 -22.954 -21.220 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.684 -22.826 -20.032 1.00 0.00 H new ATOM 184 N MET A 16 -16.950 -21.698 -17.419 1.00 0.00 N ATOM 185 CA MET A 16 -16.824 -21.557 -15.973 1.00 0.00 C ATOM 186 C MET A 16 -17.149 -22.871 -15.268 1.00 0.00 C ATOM 187 O MET A 16 -17.813 -22.882 -14.232 1.00 0.00 O ATOM 188 CB MET A 16 -17.750 -20.450 -15.464 1.00 0.00 C ATOM 189 CG MET A 16 -17.103 -19.074 -15.455 1.00 0.00 C ATOM 190 SD MET A 16 -16.567 -18.570 -13.809 1.00 0.00 S ATOM 191 CE MET A 16 -18.097 -17.925 -13.137 1.00 0.00 C ATOM 0 H MET A 16 -17.788 -22.193 -17.723 1.00 0.00 H new ATOM 0 HA MET A 16 -15.792 -21.290 -15.748 1.00 0.00 H new ATOM 0 HB2 MET A 16 -18.643 -20.419 -16.088 1.00 0.00 H new ATOM 0 HB3 MET A 16 -18.076 -20.696 -14.453 1.00 0.00 H new ATOM 0 HG2 MET A 16 -16.245 -19.076 -16.128 1.00 0.00 H new ATOM 0 HG3 MET A 16 -17.811 -18.341 -15.843 1.00 0.00 H new ATOM 0 HE1 MET A 16 -17.892 -17.399 -12.205 1.00 0.00 H new ATOM 0 HE2 MET A 16 -18.546 -17.235 -13.852 1.00 0.00 H new ATOM 0 HE3 MET A 16 -18.786 -18.748 -12.945 1.00 0.00 H new ATOM 201 N ARG A 17 -16.677 -23.975 -15.838 1.00 0.00 N ATOM 202 CA ARG A 17 -16.918 -25.293 -15.265 1.00 0.00 C ATOM 203 C ARG A 17 -16.671 -25.285 -13.759 1.00 0.00 C ATOM 204 O ARG A 17 -15.822 -24.544 -13.263 1.00 0.00 O ATOM 205 CB ARG A 17 -16.021 -26.336 -15.934 1.00 0.00 C ATOM 206 CG ARG A 17 -16.180 -26.397 -17.444 1.00 0.00 C ATOM 207 CD ARG A 17 -17.497 -27.046 -17.840 1.00 0.00 C ATOM 208 NE ARG A 17 -18.623 -26.127 -17.703 1.00 0.00 N ATOM 209 CZ ARG A 17 -18.818 -25.080 -18.496 1.00 0.00 C ATOM 210 NH1 ARG A 17 -17.965 -24.820 -19.478 1.00 0.00 N ATOM 211 NH2 ARG A 17 -19.867 -24.289 -18.309 1.00 0.00 N ATOM 0 H ARG A 17 -16.126 -23.982 -16.696 1.00 0.00 H new ATOM 0 HA ARG A 17 -17.961 -25.553 -15.443 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.981 -26.115 -15.695 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.243 -27.317 -15.514 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.131 -25.389 -17.857 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.352 -26.959 -17.876 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -17.435 -27.392 -18.872 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.669 -27.925 -17.219 1.00 0.00 H new ATOM 0 HE ARG A 17 -19.297 -26.299 -16.957 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.157 -25.425 -19.625 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.117 -24.015 -20.086 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -20.525 -24.485 -17.555 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -20.015 -23.485 -18.919 1.00 0.00 H new ATOM 225 N ASP A 18 -17.418 -26.113 -13.038 1.00 0.00 N ATOM 226 CA ASP A 18 -17.280 -26.202 -11.589 1.00 0.00 C ATOM 227 C ASP A 18 -15.865 -26.622 -11.202 1.00 0.00 C ATOM 228 O ASP A 18 -15.533 -27.806 -11.216 1.00 0.00 O ATOM 229 CB ASP A 18 -18.294 -27.196 -11.018 1.00 0.00 C ATOM 230 CG ASP A 18 -19.424 -26.508 -10.278 1.00 0.00 C ATOM 231 OD1 ASP A 18 -19.215 -25.375 -9.795 1.00 0.00 O ATOM 232 OD2 ASP A 18 -20.518 -27.103 -10.182 1.00 0.00 O ATOM 0 H ASP A 18 -18.126 -26.732 -13.433 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.474 -25.215 -11.170 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -18.707 -27.796 -11.829 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -17.785 -27.882 -10.341 1.00 0.00 H new ATOM 237 N GLY A 19 -15.035 -25.642 -10.859 1.00 0.00 N ATOM 238 CA GLY A 19 -13.666 -25.929 -10.475 1.00 0.00 C ATOM 239 C GLY A 19 -12.656 -25.226 -11.360 1.00 0.00 C ATOM 240 O GLY A 19 -11.580 -24.840 -10.901 1.00 0.00 O ATOM 0 H GLY A 19 -15.287 -24.654 -10.840 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.511 -25.625 -9.440 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.497 -27.005 -10.520 1.00 0.00 H new ATOM 244 N PHE A 20 -13.000 -25.060 -12.632 1.00 0.00 N ATOM 245 CA PHE A 20 -12.114 -24.401 -13.585 1.00 0.00 C ATOM 246 C PHE A 20 -12.910 -23.781 -14.729 1.00 0.00 C ATOM 247 O PHE A 20 -14.101 -24.047 -14.887 1.00 0.00 O ATOM 248 CB PHE A 20 -11.094 -25.398 -14.139 1.00 0.00 C ATOM 249 CG PHE A 20 -11.681 -26.372 -15.121 1.00 0.00 C ATOM 250 CD1 PHE A 20 -11.871 -26.012 -16.445 1.00 0.00 C ATOM 251 CD2 PHE A 20 -12.040 -27.649 -14.719 1.00 0.00 C ATOM 252 CE1 PHE A 20 -12.411 -26.906 -17.350 1.00 0.00 C ATOM 253 CE2 PHE A 20 -12.581 -28.547 -15.620 1.00 0.00 C ATOM 254 CZ PHE A 20 -12.765 -28.176 -16.937 1.00 0.00 C ATOM 0 H PHE A 20 -13.887 -25.373 -13.028 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.585 -23.605 -13.061 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -10.286 -24.849 -14.623 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.652 -25.951 -13.311 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.594 -25.021 -16.774 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -11.895 -27.946 -13.691 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -12.556 -26.612 -18.379 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -12.860 -29.538 -15.294 1.00 0.00 H new ATOM 0 HZ PHE A 20 -13.185 -28.877 -17.643 1.00 0.00 H new ATOM 264 N GLY A 21 -12.242 -22.953 -15.526 1.00 0.00 N ATOM 265 CA GLY A 21 -12.903 -22.307 -16.646 1.00 0.00 C ATOM 266 C GLY A 21 -11.935 -21.929 -17.750 1.00 0.00 C ATOM 267 O GLY A 21 -10.936 -22.614 -17.972 1.00 0.00 O ATOM 0 H GLY A 21 -11.256 -22.718 -15.417 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.666 -22.974 -17.048 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.416 -21.412 -16.294 1.00 0.00 H new ATOM 271 N PHE A 22 -12.232 -20.836 -18.446 1.00 0.00 N ATOM 272 CA PHE A 22 -11.382 -20.369 -19.535 1.00 0.00 C ATOM 273 C PHE A 22 -11.581 -18.876 -19.778 1.00 0.00 C ATOM 274 O PHE A 22 -12.527 -18.274 -19.269 1.00 0.00 O ATOM 275 CB PHE A 22 -11.682 -21.151 -20.815 1.00 0.00 C ATOM 276 CG PHE A 22 -11.004 -22.490 -20.874 1.00 0.00 C ATOM 277 CD1 PHE A 22 -9.635 -22.596 -20.684 1.00 0.00 C ATOM 278 CD2 PHE A 22 -11.734 -23.641 -21.117 1.00 0.00 C ATOM 279 CE1 PHE A 22 -9.008 -23.827 -20.738 1.00 0.00 C ATOM 280 CE2 PHE A 22 -11.113 -24.875 -21.172 1.00 0.00 C ATOM 281 CZ PHE A 22 -9.748 -24.968 -20.981 1.00 0.00 C ATOM 0 H PHE A 22 -13.055 -20.258 -18.275 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.343 -20.537 -19.250 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -12.759 -21.294 -20.899 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.371 -20.557 -21.675 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -9.052 -21.707 -20.492 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -12.802 -23.574 -21.265 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.940 -23.897 -20.590 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -11.694 -25.765 -21.364 1.00 0.00 H new ATOM 0 HZ PHE A 22 -9.260 -25.931 -21.022 1.00 0.00 H new ATOM 291 N ILE A 23 -10.684 -18.285 -20.560 1.00 0.00 N ATOM 292 CA ILE A 23 -10.761 -16.864 -20.872 1.00 0.00 C ATOM 293 C ILE A 23 -10.235 -16.579 -22.275 1.00 0.00 C ATOM 294 O ILE A 23 -9.027 -16.593 -22.512 1.00 0.00 O ATOM 295 CB ILE A 23 -9.966 -16.021 -19.857 1.00 0.00 C ATOM 296 CG1 ILE A 23 -10.062 -16.640 -18.461 1.00 0.00 C ATOM 297 CG2 ILE A 23 -10.477 -14.588 -19.843 1.00 0.00 C ATOM 298 CD1 ILE A 23 -9.120 -16.014 -17.457 1.00 0.00 C ATOM 0 H ILE A 23 -9.895 -18.769 -20.989 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.814 -16.586 -20.818 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.918 -16.010 -20.158 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.085 -16.541 -18.098 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.850 -17.707 -18.530 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.905 -14.005 -19.121 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.362 -14.151 -20.835 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.530 -14.580 -19.563 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.242 -16.502 -16.490 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.092 -16.136 -17.798 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.346 -14.952 -17.359 1.00 0.00 H new ATOM 310 N LYS A 24 -11.151 -16.319 -23.202 1.00 0.00 N ATOM 311 CA LYS A 24 -10.781 -16.027 -24.582 1.00 0.00 C ATOM 312 C LYS A 24 -10.524 -14.536 -24.773 1.00 0.00 C ATOM 313 O LYS A 24 -11.452 -13.727 -24.741 1.00 0.00 O ATOM 314 CB LYS A 24 -11.884 -16.491 -25.536 1.00 0.00 C ATOM 315 CG LYS A 24 -11.686 -16.024 -26.968 1.00 0.00 C ATOM 316 CD LYS A 24 -12.855 -16.426 -27.852 1.00 0.00 C ATOM 317 CE LYS A 24 -13.809 -15.263 -28.077 1.00 0.00 C ATOM 318 NZ LYS A 24 -15.003 -15.671 -28.869 1.00 0.00 N ATOM 0 H LYS A 24 -12.155 -16.305 -23.023 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.862 -16.568 -24.807 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.931 -17.580 -25.521 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.844 -16.125 -25.173 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.571 -14.940 -26.986 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.765 -16.449 -27.366 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.481 -16.782 -28.812 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.392 -17.255 -27.392 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.130 -14.865 -27.114 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.286 -14.459 -28.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.629 -14.851 -29.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.699 -16.027 -29.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.516 -16.420 -28.362 1.00 0.00 H new ATOM 332 N CYS A 25 -9.260 -14.179 -24.972 1.00 0.00 N ATOM 333 CA CYS A 25 -8.881 -12.784 -25.169 1.00 0.00 C ATOM 334 C CYS A 25 -9.417 -12.258 -26.496 1.00 0.00 C ATOM 335 O CYS A 25 -9.959 -13.013 -27.303 1.00 0.00 O ATOM 336 CB CYS A 25 -7.359 -12.637 -25.125 1.00 0.00 C ATOM 337 SG CYS A 25 -6.781 -11.258 -24.109 1.00 0.00 S ATOM 0 H CYS A 25 -8.480 -14.836 -25.001 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.319 -12.196 -24.362 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.926 -13.562 -24.744 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.988 -12.506 -26.141 1.00 0.00 H new ATOM 0 HG CYS A 25 -7.803 -10.627 -23.612 1.00 0.00 H new ATOM 343 N VAL A 26 -9.264 -10.955 -26.715 1.00 0.00 N ATOM 344 CA VAL A 26 -9.733 -10.327 -27.944 1.00 0.00 C ATOM 345 C VAL A 26 -8.630 -10.284 -28.996 1.00 0.00 C ATOM 346 O VAL A 26 -8.882 -10.485 -30.184 1.00 0.00 O ATOM 347 CB VAL A 26 -10.236 -8.894 -27.685 1.00 0.00 C ATOM 348 CG1 VAL A 26 -11.440 -8.910 -26.756 1.00 0.00 C ATOM 349 CG2 VAL A 26 -9.120 -8.034 -27.111 1.00 0.00 C ATOM 0 H VAL A 26 -8.819 -10.315 -26.057 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.560 -10.934 -28.314 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.547 -8.459 -28.635 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.781 -7.889 -26.585 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.243 -9.489 -27.211 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.160 -9.363 -25.805 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.493 -7.025 -26.934 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.776 -8.464 -26.170 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.290 -7.996 -27.817 1.00 0.00 H new ATOM 359 N ASP A 27 -7.406 -10.021 -28.550 1.00 0.00 N ATOM 360 CA ASP A 27 -6.263 -9.953 -29.453 1.00 0.00 C ATOM 361 C ASP A 27 -5.532 -11.292 -29.505 1.00 0.00 C ATOM 362 O ASP A 27 -5.019 -11.689 -30.551 1.00 0.00 O ATOM 363 CB ASP A 27 -5.301 -8.850 -29.009 1.00 0.00 C ATOM 364 CG ASP A 27 -5.133 -7.771 -30.061 1.00 0.00 C ATOM 365 OD1 ASP A 27 -4.466 -8.037 -31.082 1.00 0.00 O ATOM 366 OD2 ASP A 27 -5.668 -6.660 -29.862 1.00 0.00 O ATOM 0 H ASP A 27 -7.180 -9.852 -27.570 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.633 -9.722 -30.452 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.669 -8.400 -28.087 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.329 -9.289 -28.784 1.00 0.00 H new ATOM 371 N ARG A 28 -5.488 -11.981 -28.370 1.00 0.00 N ATOM 372 CA ARG A 28 -4.819 -13.273 -28.286 1.00 0.00 C ATOM 373 C ARG A 28 -5.694 -14.378 -28.871 1.00 0.00 C ATOM 374 O ARG A 28 -5.209 -15.256 -29.585 1.00 0.00 O ATOM 375 CB ARG A 28 -4.472 -13.599 -26.833 1.00 0.00 C ATOM 376 CG ARG A 28 -2.979 -13.736 -26.579 1.00 0.00 C ATOM 377 CD ARG A 28 -2.428 -15.019 -27.180 1.00 0.00 C ATOM 378 NE ARG A 28 -1.020 -15.218 -26.849 1.00 0.00 N ATOM 379 CZ ARG A 28 -0.596 -15.634 -25.660 1.00 0.00 C ATOM 380 NH1 ARG A 28 -1.468 -15.893 -24.696 1.00 0.00 N ATOM 381 NH2 ARG A 28 0.702 -15.791 -25.435 1.00 0.00 N ATOM 0 H ARG A 28 -5.908 -11.666 -27.495 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.899 -13.215 -28.868 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.871 -12.816 -26.189 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.967 -14.528 -26.550 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.456 -12.880 -27.005 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.789 -13.724 -25.506 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.009 -15.867 -26.818 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.545 -14.991 -28.263 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.324 -15.027 -27.570 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.467 -15.773 -24.866 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.140 -16.212 -23.784 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.376 -15.592 -26.175 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.026 -16.110 -24.522 1.00 0.00 H new ATOM 395 N ASP A 29 -6.985 -14.329 -28.562 1.00 0.00 N ATOM 396 CA ASP A 29 -7.929 -15.325 -29.057 1.00 0.00 C ATOM 397 C ASP A 29 -7.573 -16.715 -28.538 1.00 0.00 C ATOM 398 O ASP A 29 -7.618 -17.696 -29.281 1.00 0.00 O ATOM 399 CB ASP A 29 -7.946 -15.326 -30.586 1.00 0.00 C ATOM 400 CG ASP A 29 -8.394 -13.996 -31.161 1.00 0.00 C ATOM 401 OD1 ASP A 29 -9.566 -13.622 -30.947 1.00 0.00 O ATOM 402 OD2 ASP A 29 -7.572 -13.330 -31.825 1.00 0.00 O ATOM 0 H ASP A 29 -7.402 -13.610 -27.971 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.922 -15.064 -28.691 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.949 -15.562 -30.957 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.612 -16.114 -30.939 1.00 0.00 H new ATOM 407 N VAL A 30 -7.218 -16.791 -27.260 1.00 0.00 N ATOM 408 CA VAL A 30 -6.855 -18.061 -26.642 1.00 0.00 C ATOM 409 C VAL A 30 -7.434 -18.173 -25.236 1.00 0.00 C ATOM 410 O VAL A 30 -7.594 -17.172 -24.538 1.00 0.00 O ATOM 411 CB VAL A 30 -5.326 -18.233 -26.571 1.00 0.00 C ATOM 412 CG1 VAL A 30 -4.671 -17.723 -27.846 1.00 0.00 C ATOM 413 CG2 VAL A 30 -4.765 -17.517 -25.351 1.00 0.00 C ATOM 0 H VAL A 30 -7.174 -15.988 -26.632 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.273 -18.849 -27.268 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.102 -19.295 -26.476 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.591 -17.853 -27.777 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.050 -18.285 -28.700 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.902 -16.666 -27.976 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.684 -17.649 -25.317 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.999 -16.454 -25.413 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.210 -17.934 -24.448 1.00 0.00 H new ATOM 423 N ARG A 31 -7.745 -19.399 -24.827 1.00 0.00 N ATOM 424 CA ARG A 31 -8.307 -19.643 -23.503 1.00 0.00 C ATOM 425 C ARG A 31 -7.206 -19.707 -22.449 1.00 0.00 C ATOM 426 O ARG A 31 -6.261 -20.486 -22.571 1.00 0.00 O ATOM 427 CB ARG A 31 -9.109 -20.945 -23.499 1.00 0.00 C ATOM 428 CG ARG A 31 -8.259 -22.185 -23.717 1.00 0.00 C ATOM 429 CD ARG A 31 -9.003 -23.237 -24.525 1.00 0.00 C ATOM 430 NE ARG A 31 -8.460 -24.576 -24.313 1.00 0.00 N ATOM 431 CZ ARG A 31 -9.143 -25.691 -24.545 1.00 0.00 C ATOM 432 NH1 ARG A 31 -10.389 -25.628 -24.993 1.00 0.00 N ATOM 433 NH2 ARG A 31 -8.580 -26.873 -24.328 1.00 0.00 N ATOM 0 H ARG A 31 -7.618 -20.238 -25.393 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.972 -18.814 -23.259 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.632 -21.036 -22.547 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.870 -20.895 -24.278 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.340 -21.911 -24.234 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.970 -22.603 -22.753 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.058 -23.226 -24.250 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.947 -22.987 -25.584 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.504 -24.659 -23.968 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.826 -24.721 -25.160 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.911 -26.486 -25.170 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.622 -26.926 -23.983 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.106 -27.729 -24.507 1.00 0.00 H new ATOM 447 N MET A 32 -7.335 -18.883 -21.414 1.00 0.00 N ATOM 448 CA MET A 32 -6.352 -18.847 -20.338 1.00 0.00 C ATOM 449 C MET A 32 -6.838 -19.644 -19.132 1.00 0.00 C ATOM 450 O MET A 32 -7.569 -19.126 -18.287 1.00 0.00 O ATOM 451 CB MET A 32 -6.065 -17.402 -19.928 1.00 0.00 C ATOM 452 CG MET A 32 -5.304 -17.281 -18.618 1.00 0.00 C ATOM 453 SD MET A 32 -3.906 -16.147 -18.728 1.00 0.00 S ATOM 454 CE MET A 32 -2.533 -17.295 -18.665 1.00 0.00 C ATOM 0 H MET A 32 -8.111 -18.231 -21.298 1.00 0.00 H new ATOM 0 HA MET A 32 -5.432 -19.301 -20.705 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.492 -16.916 -20.718 1.00 0.00 H new ATOM 0 HB3 MET A 32 -7.009 -16.863 -19.841 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.984 -16.939 -17.838 1.00 0.00 H new ATOM 0 HG3 MET A 32 -4.945 -18.266 -18.319 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.686 -16.879 -19.211 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.248 -17.465 -17.627 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.828 -18.241 -19.119 1.00 0.00 H new ATOM 464 N PHE A 33 -6.427 -20.905 -19.057 1.00 0.00 N ATOM 465 CA PHE A 33 -6.821 -21.774 -17.953 1.00 0.00 C ATOM 466 C PHE A 33 -6.584 -21.089 -16.611 1.00 0.00 C ATOM 467 O PHE A 33 -5.534 -20.485 -16.386 1.00 0.00 O ATOM 468 CB PHE A 33 -6.046 -23.091 -18.011 1.00 0.00 C ATOM 469 CG PHE A 33 -6.355 -24.019 -16.871 1.00 0.00 C ATOM 470 CD1 PHE A 33 -7.499 -24.801 -16.887 1.00 0.00 C ATOM 471 CD2 PHE A 33 -5.502 -24.109 -15.783 1.00 0.00 C ATOM 472 CE1 PHE A 33 -7.786 -25.656 -15.839 1.00 0.00 C ATOM 473 CE2 PHE A 33 -5.783 -24.963 -14.733 1.00 0.00 C ATOM 474 CZ PHE A 33 -6.927 -25.736 -14.761 1.00 0.00 C ATOM 0 H PHE A 33 -5.821 -21.349 -19.747 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.886 -21.984 -18.051 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.272 -23.595 -18.951 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.978 -22.875 -18.014 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.174 -24.742 -17.728 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.607 -23.505 -15.755 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.681 -26.260 -15.864 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.109 -25.026 -13.892 1.00 0.00 H new ATOM 0 HZ PHE A 33 -7.149 -26.402 -13.941 1.00 0.00 H new ATOM 484 N PHE A 34 -7.566 -21.188 -15.721 1.00 0.00 N ATOM 485 CA PHE A 34 -7.465 -20.577 -14.400 1.00 0.00 C ATOM 486 C PHE A 34 -8.336 -21.319 -13.390 1.00 0.00 C ATOM 487 O PHE A 34 -9.316 -21.967 -13.757 1.00 0.00 O ATOM 488 CB PHE A 34 -7.878 -19.105 -14.463 1.00 0.00 C ATOM 489 CG PHE A 34 -9.360 -18.904 -14.602 1.00 0.00 C ATOM 490 CD1 PHE A 34 -10.168 -18.809 -13.481 1.00 0.00 C ATOM 491 CD2 PHE A 34 -9.945 -18.809 -15.855 1.00 0.00 C ATOM 492 CE1 PHE A 34 -11.532 -18.624 -13.607 1.00 0.00 C ATOM 493 CE2 PHE A 34 -11.308 -18.624 -15.987 1.00 0.00 C ATOM 494 CZ PHE A 34 -12.102 -18.530 -14.861 1.00 0.00 C ATOM 0 H PHE A 34 -8.440 -21.685 -15.890 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.427 -20.642 -14.075 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.534 -18.600 -13.560 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.374 -18.630 -15.305 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.727 -18.880 -12.498 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.328 -18.880 -16.739 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -12.151 -18.553 -12.725 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.752 -18.553 -16.969 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.167 -18.383 -14.961 1.00 0.00 H new ATOM 504 N HIS A 35 -7.970 -21.219 -12.116 1.00 0.00 N ATOM 505 CA HIS A 35 -8.717 -21.880 -11.052 1.00 0.00 C ATOM 506 C HIS A 35 -9.725 -20.924 -10.422 1.00 0.00 C ATOM 507 O HIS A 35 -9.552 -19.706 -10.465 1.00 0.00 O ATOM 508 CB HIS A 35 -7.761 -22.410 -9.983 1.00 0.00 C ATOM 509 CG HIS A 35 -7.307 -23.816 -10.229 1.00 0.00 C ATOM 510 ND1 HIS A 35 -6.058 -24.277 -9.869 1.00 0.00 N ATOM 511 CD2 HIS A 35 -7.943 -24.864 -10.803 1.00 0.00 C ATOM 512 CE1 HIS A 35 -5.945 -25.548 -10.212 1.00 0.00 C ATOM 513 NE2 HIS A 35 -7.075 -25.928 -10.780 1.00 0.00 N ATOM 0 H HIS A 35 -7.161 -20.687 -11.796 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.261 -22.717 -11.489 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.888 -21.759 -9.933 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.252 -22.360 -9.011 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.946 -24.864 -11.204 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.076 -26.170 -10.055 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -7.271 -26.861 -11.143 1.00 0.00 H new ATOM 521 N PHE A 36 -10.779 -21.484 -9.837 1.00 0.00 N ATOM 522 CA PHE A 36 -11.816 -20.682 -9.199 1.00 0.00 C ATOM 523 C PHE A 36 -11.390 -20.259 -7.795 1.00 0.00 C ATOM 524 O PHE A 36 -12.187 -20.291 -6.858 1.00 0.00 O ATOM 525 CB PHE A 36 -13.128 -21.466 -9.131 1.00 0.00 C ATOM 526 CG PHE A 36 -13.881 -21.486 -10.431 1.00 0.00 C ATOM 527 CD1 PHE A 36 -13.204 -21.523 -11.639 1.00 0.00 C ATOM 528 CD2 PHE A 36 -15.267 -21.467 -10.444 1.00 0.00 C ATOM 529 CE1 PHE A 36 -13.895 -21.542 -12.836 1.00 0.00 C ATOM 530 CE2 PHE A 36 -15.962 -21.486 -11.638 1.00 0.00 C ATOM 531 CZ PHE A 36 -15.276 -21.522 -12.836 1.00 0.00 C ATOM 0 H PHE A 36 -10.937 -22.491 -9.792 1.00 0.00 H new ATOM 0 HA PHE A 36 -11.967 -19.785 -9.800 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.914 -22.491 -8.828 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.763 -21.031 -8.359 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.124 -21.537 -11.646 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -15.810 -21.437 -9.511 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -13.355 -21.572 -13.771 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -17.042 -21.473 -11.634 1.00 0.00 H new ATOM 0 HZ PHE A 36 -15.818 -21.534 -13.770 1.00 0.00 H new ATOM 541 N SER A 37 -10.128 -19.864 -7.660 1.00 0.00 N ATOM 542 CA SER A 37 -9.595 -19.440 -6.371 1.00 0.00 C ATOM 543 C SER A 37 -9.104 -17.996 -6.435 1.00 0.00 C ATOM 544 O SER A 37 -8.922 -17.346 -5.407 1.00 0.00 O ATOM 545 CB SER A 37 -8.451 -20.360 -5.940 1.00 0.00 C ATOM 546 OG SER A 37 -8.492 -20.606 -4.545 1.00 0.00 O ATOM 0 H SER A 37 -9.456 -19.829 -8.427 1.00 0.00 H new ATOM 0 HA SER A 37 -10.398 -19.501 -5.636 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.516 -21.304 -6.481 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.496 -19.906 -6.204 1.00 0.00 H new ATOM 0 HG SER A 37 -7.752 -21.198 -4.295 1.00 0.00 H new ATOM 552 N GLU A 38 -8.892 -17.504 -7.652 1.00 0.00 N ATOM 553 CA GLU A 38 -8.421 -16.138 -7.851 1.00 0.00 C ATOM 554 C GLU A 38 -9.591 -15.158 -7.880 1.00 0.00 C ATOM 555 O GLU A 38 -9.396 -13.943 -7.865 1.00 0.00 O ATOM 556 CB GLU A 38 -7.623 -16.034 -9.152 1.00 0.00 C ATOM 557 CG GLU A 38 -6.599 -17.144 -9.327 1.00 0.00 C ATOM 558 CD GLU A 38 -6.290 -17.864 -8.029 1.00 0.00 C ATOM 559 OE1 GLU A 38 -5.912 -17.185 -7.051 1.00 0.00 O ATOM 560 OE2 GLU A 38 -6.426 -19.104 -7.991 1.00 0.00 O ATOM 0 H GLU A 38 -9.039 -18.030 -8.514 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.773 -15.879 -7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.314 -16.052 -9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.112 -15.072 -9.179 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.970 -17.863 -10.057 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.679 -16.723 -9.733 1.00 0.00 H new ATOM 567 N ILE A 39 -10.805 -15.697 -7.922 1.00 0.00 N ATOM 568 CA ILE A 39 -12.006 -14.871 -7.952 1.00 0.00 C ATOM 569 C ILE A 39 -12.284 -14.254 -6.586 1.00 0.00 C ATOM 570 O ILE A 39 -13.261 -13.526 -6.408 1.00 0.00 O ATOM 571 CB ILE A 39 -13.237 -15.684 -8.396 1.00 0.00 C ATOM 572 CG1 ILE A 39 -12.936 -16.438 -9.693 1.00 0.00 C ATOM 573 CG2 ILE A 39 -14.439 -14.769 -8.576 1.00 0.00 C ATOM 574 CD1 ILE A 39 -14.056 -17.356 -10.131 1.00 0.00 C ATOM 0 H ILE A 39 -10.983 -16.701 -7.936 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.824 -14.077 -8.676 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.472 -16.413 -7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.737 -15.717 -10.486 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.027 -17.025 -9.560 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.301 -15.358 -8.890 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.663 -14.273 -7.632 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -14.216 -14.020 -9.336 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.774 -17.858 -11.057 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.240 -18.100 -9.356 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.962 -16.772 -10.296 1.00 0.00 H new ATOM 586 N LEU A 40 -11.417 -14.548 -5.623 1.00 0.00 N ATOM 587 CA LEU A 40 -11.567 -14.020 -4.271 1.00 0.00 C ATOM 588 C LEU A 40 -11.712 -12.502 -4.292 1.00 0.00 C ATOM 589 O LEU A 40 -12.137 -11.896 -3.309 1.00 0.00 O ATOM 590 CB LEU A 40 -10.366 -14.418 -3.411 1.00 0.00 C ATOM 591 CG LEU A 40 -8.989 -14.190 -4.035 1.00 0.00 C ATOM 592 CD1 LEU A 40 -8.670 -12.705 -4.097 1.00 0.00 C ATOM 593 CD2 LEU A 40 -7.919 -14.936 -3.252 1.00 0.00 C ATOM 0 H LEU A 40 -10.603 -15.149 -5.753 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.472 -14.446 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.415 -13.862 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.459 -15.475 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.003 -14.579 -5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.686 -12.563 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.421 -12.197 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.674 -12.290 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.945 -14.762 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.905 -14.577 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.139 -16.003 -3.261 1.00 0.00 H new ATOM 605 N ASP A 41 -11.359 -11.895 -5.419 1.00 0.00 N ATOM 606 CA ASP A 41 -11.453 -10.447 -5.570 1.00 0.00 C ATOM 607 C ASP A 41 -12.873 -9.964 -5.296 1.00 0.00 C ATOM 608 O ASP A 41 -13.108 -8.771 -5.109 1.00 0.00 O ATOM 609 CB ASP A 41 -11.021 -10.031 -6.977 1.00 0.00 C ATOM 610 CG ASP A 41 -10.203 -8.754 -6.977 1.00 0.00 C ATOM 611 OD1 ASP A 41 -10.808 -7.662 -7.021 1.00 0.00 O ATOM 612 OD2 ASP A 41 -8.959 -8.846 -6.932 1.00 0.00 O ATOM 0 H ASP A 41 -11.005 -12.383 -6.242 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.785 -9.986 -4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.437 -10.834 -7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.905 -9.893 -7.600 1.00 0.00 H new ATOM 617 N GLY A 42 -13.818 -10.899 -5.277 1.00 0.00 N ATOM 618 CA GLY A 42 -15.204 -10.548 -5.027 1.00 0.00 C ATOM 619 C GLY A 42 -15.821 -9.770 -6.172 1.00 0.00 C ATOM 620 O GLY A 42 -15.977 -8.552 -6.091 1.00 0.00 O ATOM 0 H GLY A 42 -13.649 -11.893 -5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.781 -11.457 -4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -15.267 -9.956 -4.114 1.00 0.00 H new ATOM 624 N ASN A 43 -16.171 -10.474 -7.243 1.00 0.00 N ATOM 625 CA ASN A 43 -16.772 -9.841 -8.411 1.00 0.00 C ATOM 626 C ASN A 43 -17.810 -10.757 -9.053 1.00 0.00 C ATOM 627 O ASN A 43 -18.300 -10.484 -10.148 1.00 0.00 O ATOM 628 CB ASN A 43 -15.693 -9.480 -9.434 1.00 0.00 C ATOM 629 CG ASN A 43 -15.703 -8.006 -9.789 1.00 0.00 C ATOM 630 OD1 ASN A 43 -16.708 -7.478 -10.267 1.00 0.00 O ATOM 631 ND2 ASN A 43 -14.582 -7.334 -9.557 1.00 0.00 N ATOM 0 H ASN A 43 -16.049 -11.483 -7.326 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.271 -8.930 -8.082 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.714 -9.748 -9.036 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -15.842 -10.070 -10.338 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.529 -6.339 -9.776 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.774 -7.812 -9.160 1.00 0.00 H new ATOM 638 N GLN A 44 -18.139 -11.844 -8.363 1.00 0.00 N ATOM 639 CA GLN A 44 -19.118 -12.801 -8.865 1.00 0.00 C ATOM 640 C GLN A 44 -19.039 -12.913 -10.384 1.00 0.00 C ATOM 641 O GLN A 44 -19.815 -12.284 -11.105 1.00 0.00 O ATOM 642 CB GLN A 44 -20.530 -12.386 -8.446 1.00 0.00 C ATOM 643 CG GLN A 44 -21.015 -13.075 -7.181 1.00 0.00 C ATOM 644 CD GLN A 44 -22.485 -13.441 -7.243 1.00 0.00 C ATOM 645 OE1 GLN A 44 -23.353 -12.568 -7.288 1.00 0.00 O ATOM 646 NE2 GLN A 44 -22.773 -14.737 -7.246 1.00 0.00 N ATOM 0 H GLN A 44 -17.742 -12.084 -7.455 1.00 0.00 H new ATOM 0 HA GLN A 44 -18.890 -13.776 -8.434 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.553 -11.307 -8.294 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.221 -12.608 -9.259 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -20.427 -13.977 -7.015 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.843 -12.420 -6.327 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.022 -15.426 -7.208 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.745 -15.043 -7.287 1.00 0.00 H new ATOM 655 N LEU A 45 -18.097 -13.717 -10.865 1.00 0.00 N ATOM 656 CA LEU A 45 -17.916 -13.912 -12.299 1.00 0.00 C ATOM 657 C LEU A 45 -19.165 -14.520 -12.928 1.00 0.00 C ATOM 658 O LEU A 45 -20.110 -14.887 -12.228 1.00 0.00 O ATOM 659 CB LEU A 45 -16.708 -14.813 -12.563 1.00 0.00 C ATOM 660 CG LEU A 45 -15.426 -14.105 -13.002 1.00 0.00 C ATOM 661 CD1 LEU A 45 -15.151 -12.900 -12.115 1.00 0.00 C ATOM 662 CD2 LEU A 45 -14.249 -15.069 -12.975 1.00 0.00 C ATOM 0 H LEU A 45 -17.447 -14.244 -10.283 1.00 0.00 H new ATOM 0 HA LEU A 45 -17.741 -12.937 -12.754 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.495 -15.377 -11.655 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.981 -15.537 -13.331 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.559 -13.754 -14.025 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -14.235 -12.409 -12.442 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -15.983 -12.199 -12.185 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.038 -13.227 -11.081 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.345 -14.548 -13.290 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -14.114 -15.450 -11.963 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -14.444 -15.900 -13.653 1.00 0.00 H new ATOM 674 N HIS A 46 -19.163 -14.626 -14.253 1.00 0.00 N ATOM 675 CA HIS A 46 -20.295 -15.193 -14.977 1.00 0.00 C ATOM 676 C HIS A 46 -19.958 -15.380 -16.453 1.00 0.00 C ATOM 677 O HIS A 46 -19.065 -14.719 -16.984 1.00 0.00 O ATOM 678 CB HIS A 46 -21.523 -14.293 -14.832 1.00 0.00 C ATOM 679 CG HIS A 46 -22.721 -14.999 -14.275 1.00 0.00 C ATOM 680 ND1 HIS A 46 -23.729 -14.349 -13.595 1.00 0.00 N ATOM 681 CD2 HIS A 46 -23.070 -16.307 -14.302 1.00 0.00 C ATOM 682 CE1 HIS A 46 -24.645 -15.226 -13.226 1.00 0.00 C ATOM 683 NE2 HIS A 46 -24.269 -16.422 -13.644 1.00 0.00 N ATOM 0 H HIS A 46 -18.390 -14.327 -14.847 1.00 0.00 H new ATOM 0 HA HIS A 46 -20.517 -16.170 -14.547 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.273 -13.453 -14.184 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.777 -13.879 -15.808 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -22.509 -17.110 -14.757 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -25.548 -15.004 -12.676 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -24.786 -17.290 -13.501 1.00 0.00 H new ATOM 691 N ILE A 47 -20.678 -16.284 -17.110 1.00 0.00 N ATOM 692 CA ILE A 47 -20.455 -16.556 -18.524 1.00 0.00 C ATOM 693 C ILE A 47 -20.274 -15.263 -19.311 1.00 0.00 C ATOM 694 O ILE A 47 -21.016 -14.300 -19.121 1.00 0.00 O ATOM 695 CB ILE A 47 -21.621 -17.356 -19.134 1.00 0.00 C ATOM 696 CG1 ILE A 47 -21.736 -18.725 -18.461 1.00 0.00 C ATOM 697 CG2 ILE A 47 -21.429 -17.512 -20.635 1.00 0.00 C ATOM 698 CD1 ILE A 47 -20.452 -19.525 -18.495 1.00 0.00 C ATOM 0 H ILE A 47 -21.420 -16.840 -16.685 1.00 0.00 H new ATOM 0 HA ILE A 47 -19.543 -17.150 -18.591 1.00 0.00 H new ATOM 0 HB ILE A 47 -22.547 -16.808 -18.961 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -22.041 -18.586 -17.424 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -22.524 -19.297 -18.951 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -22.261 -18.080 -21.051 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -21.392 -16.527 -21.101 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -20.496 -18.041 -20.829 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -20.607 -20.484 -18.000 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -20.156 -19.695 -19.530 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -19.666 -18.974 -17.979 1.00 0.00 H new ATOM 710 N ALA A 48 -19.283 -15.249 -20.196 1.00 0.00 N ATOM 711 CA ALA A 48 -19.006 -14.076 -21.016 1.00 0.00 C ATOM 712 C ALA A 48 -18.863 -12.826 -20.154 1.00 0.00 C ATOM 713 O ALA A 48 -19.609 -11.860 -20.316 1.00 0.00 O ATOM 714 CB ALA A 48 -20.106 -13.883 -22.050 1.00 0.00 C ATOM 0 H ALA A 48 -18.658 -16.037 -20.364 1.00 0.00 H new ATOM 0 HA ALA A 48 -18.061 -14.240 -21.533 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.886 -13.004 -22.655 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.159 -14.762 -22.693 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -21.061 -13.745 -21.544 1.00 0.00 H new ATOM 720 N ASP A 49 -17.902 -12.852 -19.238 1.00 0.00 N ATOM 721 CA ASP A 49 -17.661 -11.720 -18.350 1.00 0.00 C ATOM 722 C ASP A 49 -16.208 -11.262 -18.435 1.00 0.00 C ATOM 723 O ASP A 49 -15.289 -12.031 -18.159 1.00 0.00 O ATOM 724 CB ASP A 49 -18.007 -12.093 -16.908 1.00 0.00 C ATOM 725 CG ASP A 49 -19.503 -12.156 -16.669 1.00 0.00 C ATOM 726 OD1 ASP A 49 -20.266 -12.022 -17.649 1.00 0.00 O ATOM 727 OD2 ASP A 49 -19.912 -12.338 -15.503 1.00 0.00 O ATOM 0 H ASP A 49 -17.277 -13.644 -19.090 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.302 -10.898 -18.668 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.563 -13.059 -16.669 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.564 -11.363 -16.231 1.00 0.00 H new ATOM 732 N GLU A 50 -16.011 -10.005 -18.820 1.00 0.00 N ATOM 733 CA GLU A 50 -14.669 -9.447 -18.943 1.00 0.00 C ATOM 734 C GLU A 50 -13.977 -9.390 -17.585 1.00 0.00 C ATOM 735 O GLU A 50 -14.499 -8.810 -16.633 1.00 0.00 O ATOM 736 CB GLU A 50 -14.730 -8.046 -19.556 1.00 0.00 C ATOM 737 CG GLU A 50 -15.154 -8.037 -21.015 1.00 0.00 C ATOM 738 CD GLU A 50 -16.396 -7.202 -21.258 1.00 0.00 C ATOM 739 OE1 GLU A 50 -17.146 -6.958 -20.290 1.00 0.00 O ATOM 740 OE2 GLU A 50 -16.617 -6.792 -22.416 1.00 0.00 O ATOM 0 H GLU A 50 -16.762 -9.355 -19.052 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.091 -10.098 -19.599 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.427 -7.437 -18.980 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.750 -7.577 -19.469 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.337 -7.651 -21.624 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.339 -9.060 -21.342 1.00 0.00 H new ATOM 747 N VAL A 51 -12.797 -9.997 -17.503 1.00 0.00 N ATOM 748 CA VAL A 51 -12.031 -10.016 -16.262 1.00 0.00 C ATOM 749 C VAL A 51 -10.580 -9.617 -16.506 1.00 0.00 C ATOM 750 O VAL A 51 -10.005 -9.935 -17.546 1.00 0.00 O ATOM 751 CB VAL A 51 -12.066 -11.407 -15.602 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.494 -11.798 -15.256 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.426 -12.444 -16.513 1.00 0.00 C ATOM 0 H VAL A 51 -12.351 -10.482 -18.281 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.496 -9.293 -15.592 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.492 -11.366 -14.676 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.499 -12.784 -14.791 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.914 -11.068 -14.564 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -14.095 -11.823 -16.165 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.459 -13.421 -16.031 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.971 -12.486 -17.456 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.389 -12.169 -16.705 1.00 0.00 H new ATOM 763 N GLU A 52 -9.994 -8.918 -15.539 1.00 0.00 N ATOM 764 CA GLU A 52 -8.609 -8.475 -15.649 1.00 0.00 C ATOM 765 C GLU A 52 -7.694 -9.329 -14.777 1.00 0.00 C ATOM 766 O GLU A 52 -7.940 -9.504 -13.583 1.00 0.00 O ATOM 767 CB GLU A 52 -8.487 -7.004 -15.247 1.00 0.00 C ATOM 768 CG GLU A 52 -7.062 -6.571 -14.946 1.00 0.00 C ATOM 769 CD GLU A 52 -6.865 -5.074 -15.085 1.00 0.00 C ATOM 770 OE1 GLU A 52 -7.594 -4.451 -15.885 1.00 0.00 O ATOM 771 OE2 GLU A 52 -5.982 -4.525 -14.393 1.00 0.00 O ATOM 0 H GLU A 52 -10.456 -8.646 -14.671 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.300 -8.587 -16.688 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.885 -6.383 -16.049 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.106 -6.824 -14.368 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.800 -6.875 -13.933 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.379 -7.088 -15.621 1.00 0.00 H new ATOM 778 N PHE A 53 -6.637 -9.861 -15.382 1.00 0.00 N ATOM 779 CA PHE A 53 -5.684 -10.699 -14.663 1.00 0.00 C ATOM 780 C PHE A 53 -4.255 -10.401 -15.105 1.00 0.00 C ATOM 781 O PHE A 53 -4.025 -9.885 -16.200 1.00 0.00 O ATOM 782 CB PHE A 53 -6.002 -12.178 -14.889 1.00 0.00 C ATOM 783 CG PHE A 53 -6.301 -12.515 -16.322 1.00 0.00 C ATOM 784 CD1 PHE A 53 -7.585 -12.385 -16.825 1.00 0.00 C ATOM 785 CD2 PHE A 53 -5.297 -12.961 -17.166 1.00 0.00 C ATOM 786 CE1 PHE A 53 -7.862 -12.695 -18.143 1.00 0.00 C ATOM 787 CE2 PHE A 53 -5.568 -13.272 -18.485 1.00 0.00 C ATOM 788 CZ PHE A 53 -6.852 -13.138 -18.974 1.00 0.00 C ATOM 0 H PHE A 53 -6.419 -9.727 -16.369 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.770 -10.474 -13.600 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.157 -12.779 -14.552 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.857 -12.456 -14.273 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.379 -12.038 -16.180 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.291 -13.067 -16.789 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.868 -12.591 -18.523 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.776 -13.619 -19.132 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.066 -13.379 -20.005 1.00 0.00 H new ATOM 798 N THR A 54 -3.295 -10.728 -14.245 1.00 0.00 N ATOM 799 CA THR A 54 -1.888 -10.494 -14.545 1.00 0.00 C ATOM 800 C THR A 54 -1.186 -11.791 -14.932 1.00 0.00 C ATOM 801 O THR A 54 -1.003 -12.681 -14.101 1.00 0.00 O ATOM 802 CB THR A 54 -1.155 -9.865 -13.345 1.00 0.00 C ATOM 803 OG1 THR A 54 -1.725 -8.588 -13.038 1.00 0.00 O ATOM 804 CG2 THR A 54 0.329 -9.706 -13.640 1.00 0.00 C ATOM 0 H THR A 54 -3.467 -11.156 -13.335 1.00 0.00 H new ATOM 0 HA THR A 54 -1.855 -9.801 -15.386 1.00 0.00 H new ATOM 0 HB THR A 54 -1.270 -10.529 -12.488 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.255 -8.195 -12.273 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.826 -9.260 -12.778 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.766 -10.683 -13.845 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.460 -9.061 -14.509 1.00 0.00 H new ATOM 968 N ASN A 65 1.720 -19.836 -17.447 1.00 0.00 N ATOM 969 CA ASN A 65 1.239 -18.704 -16.664 1.00 0.00 C ATOM 970 C ASN A 65 -0.183 -18.950 -16.169 1.00 0.00 C ATOM 971 O ASN A 65 -0.797 -19.967 -16.492 1.00 0.00 O ATOM 972 CB ASN A 65 1.286 -17.423 -17.499 1.00 0.00 C ATOM 973 CG ASN A 65 1.048 -17.685 -18.974 1.00 0.00 C ATOM 974 OD1 ASN A 65 0.368 -18.643 -19.344 1.00 0.00 O ATOM 975 ND2 ASN A 65 1.608 -16.832 -19.824 1.00 0.00 N ATOM 0 HA ASN A 65 1.891 -18.590 -15.798 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.534 -16.725 -17.131 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.256 -16.944 -17.370 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.483 -16.957 -20.829 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.163 -16.052 -19.472 1.00 0.00 H new ATOM 982 N HIS A 66 -0.701 -18.011 -15.383 1.00 0.00 N ATOM 983 CA HIS A 66 -2.051 -18.125 -14.844 1.00 0.00 C ATOM 984 C HIS A 66 -2.611 -16.751 -14.486 1.00 0.00 C ATOM 985 O HIS A 66 -1.870 -15.773 -14.396 1.00 0.00 O ATOM 986 CB HIS A 66 -2.056 -19.027 -13.610 1.00 0.00 C ATOM 987 CG HIS A 66 -1.456 -18.387 -12.397 1.00 0.00 C ATOM 988 ND1 HIS A 66 -1.932 -18.598 -11.120 1.00 0.00 N ATOM 989 CD2 HIS A 66 -0.410 -17.536 -12.270 1.00 0.00 C ATOM 990 CE1 HIS A 66 -1.207 -17.904 -10.261 1.00 0.00 C ATOM 991 NE2 HIS A 66 -0.276 -17.251 -10.934 1.00 0.00 N ATOM 0 H HIS A 66 -0.206 -17.163 -15.106 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.685 -18.568 -15.611 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.083 -19.318 -13.387 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.508 -19.942 -13.837 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.205 -17.153 -13.071 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.351 -17.875 -9.191 1.00 0.00 H new ATOM 0 HE2 HIS A 66 0.428 -16.635 -10.527 1.00 0.00 H new ATOM 999 N ALA A 67 -3.923 -16.686 -14.284 1.00 0.00 N ATOM 1000 CA ALA A 67 -4.581 -15.434 -13.936 1.00 0.00 C ATOM 1001 C ALA A 67 -4.772 -15.315 -12.427 1.00 0.00 C ATOM 1002 O ALA A 67 -5.488 -16.112 -11.819 1.00 0.00 O ATOM 1003 CB ALA A 67 -5.920 -15.324 -14.650 1.00 0.00 C ATOM 0 H ALA A 67 -4.551 -17.487 -14.356 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.941 -14.614 -14.261 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.400 -14.383 -14.380 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.761 -15.354 -15.728 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.560 -16.156 -14.354 1.00 0.00 H new ATOM 1009 N ILE A 68 -4.129 -14.318 -11.830 1.00 0.00 N ATOM 1010 CA ILE A 68 -4.229 -14.096 -10.393 1.00 0.00 C ATOM 1011 C ILE A 68 -5.145 -12.918 -10.081 1.00 0.00 C ATOM 1012 O ILE A 68 -5.422 -12.088 -10.947 1.00 0.00 O ATOM 1013 CB ILE A 68 -2.846 -13.838 -9.766 1.00 0.00 C ATOM 1014 CG1 ILE A 68 -2.115 -12.732 -10.529 1.00 0.00 C ATOM 1015 CG2 ILE A 68 -2.022 -15.116 -9.755 1.00 0.00 C ATOM 1016 CD1 ILE A 68 -1.055 -12.030 -9.708 1.00 0.00 C ATOM 0 H ILE A 68 -3.533 -13.651 -12.319 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.650 -15.004 -9.962 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.986 -13.511 -8.736 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.651 -13.160 -11.417 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.843 -11.997 -10.873 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.048 -14.917 -9.309 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.539 -15.878 -9.172 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.887 -15.471 -10.777 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.578 -11.259 -10.313 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.516 -11.572 -8.833 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.306 -12.753 -9.386 1.00 0.00 H new ATOM 1028 N ARG A 69 -5.611 -12.851 -8.839 1.00 0.00 N ATOM 1029 CA ARG A 69 -6.496 -11.773 -8.412 1.00 0.00 C ATOM 1030 C ARG A 69 -7.423 -11.349 -9.547 1.00 0.00 C ATOM 1031 O ARG A 69 -7.266 -10.269 -10.118 1.00 0.00 O ATOM 1032 CB ARG A 69 -5.678 -10.573 -7.931 1.00 0.00 C ATOM 1033 CG ARG A 69 -4.782 -10.884 -6.742 1.00 0.00 C ATOM 1034 CD ARG A 69 -5.437 -10.479 -5.431 1.00 0.00 C ATOM 1035 NE ARG A 69 -4.526 -9.725 -4.574 1.00 0.00 N ATOM 1036 CZ ARG A 69 -4.926 -8.990 -3.542 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -6.214 -8.912 -3.240 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -4.036 -8.332 -2.810 1.00 0.00 N ATOM 0 H ARG A 69 -5.391 -13.530 -8.110 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.106 -12.142 -7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.062 -10.210 -8.754 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.358 -9.765 -7.661 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.557 -11.950 -6.724 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.833 -10.360 -6.853 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.321 -9.877 -5.639 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.775 -11.371 -4.904 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.528 -9.765 -4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.901 -9.417 -3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.519 -8.347 -2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.044 -8.390 -3.039 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.344 -7.768 -2.018 1.00 0.00 H new ATOM 1052 N ILE A 70 -8.386 -12.205 -9.869 1.00 0.00 N ATOM 1053 CA ILE A 70 -9.337 -11.918 -10.935 1.00 0.00 C ATOM 1054 C ILE A 70 -10.313 -10.822 -10.521 1.00 0.00 C ATOM 1055 O ILE A 70 -11.056 -10.971 -9.550 1.00 0.00 O ATOM 1056 CB ILE A 70 -10.133 -13.175 -11.333 1.00 0.00 C ATOM 1057 CG1 ILE A 70 -9.227 -14.170 -12.061 1.00 0.00 C ATOM 1058 CG2 ILE A 70 -11.321 -12.796 -12.206 1.00 0.00 C ATOM 1059 CD1 ILE A 70 -9.876 -15.515 -12.300 1.00 0.00 C ATOM 0 H ILE A 70 -8.528 -13.103 -9.407 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.756 -11.579 -11.793 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.509 -13.650 -10.427 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.929 -13.744 -13.019 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.317 -14.313 -11.479 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.873 -13.695 -12.479 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.976 -12.121 -11.656 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.965 -12.300 -13.109 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.176 -16.169 -12.820 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.149 -15.962 -11.344 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.771 -15.384 -12.908 1.00 0.00 H new ATOM 1071 N LYS A 71 -10.309 -9.721 -11.265 1.00 0.00 N ATOM 1072 CA LYS A 71 -11.195 -8.600 -10.978 1.00 0.00 C ATOM 1073 C LYS A 71 -11.995 -8.208 -12.217 1.00 0.00 C ATOM 1074 O LYS A 71 -11.442 -7.690 -13.187 1.00 0.00 O ATOM 1075 CB LYS A 71 -10.388 -7.400 -10.478 1.00 0.00 C ATOM 1076 CG LYS A 71 -11.221 -6.143 -10.288 1.00 0.00 C ATOM 1077 CD LYS A 71 -10.381 -4.888 -10.454 1.00 0.00 C ATOM 1078 CE LYS A 71 -10.961 -3.966 -11.516 1.00 0.00 C ATOM 1079 NZ LYS A 71 -10.595 -2.543 -11.275 1.00 0.00 N ATOM 0 H LYS A 71 -9.701 -9.581 -12.072 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.892 -8.910 -10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.916 -7.660 -9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.587 -7.191 -11.187 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.037 -6.134 -11.010 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.673 -6.151 -9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.324 -4.359 -9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.362 -5.164 -10.727 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.601 -4.272 -12.498 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.046 -4.065 -11.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.009 -1.947 -12.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.960 -2.243 -10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.560 -2.444 -11.288 1.00 0.00 H new ATOM 1093 N LYS A 72 -13.299 -8.457 -12.177 1.00 0.00 N ATOM 1094 CA LYS A 72 -14.176 -8.127 -13.294 1.00 0.00 C ATOM 1095 C LYS A 72 -14.043 -6.657 -13.675 1.00 0.00 C ATOM 1096 O LYS A 72 -13.641 -5.827 -12.859 1.00 0.00 O ATOM 1097 CB LYS A 72 -15.631 -8.443 -12.937 1.00 0.00 C ATOM 1098 CG LYS A 72 -16.407 -9.096 -14.068 1.00 0.00 C ATOM 1099 CD LYS A 72 -17.527 -9.976 -13.541 1.00 0.00 C ATOM 1100 CE LYS A 72 -18.860 -9.629 -14.187 1.00 0.00 C ATOM 1101 NZ LYS A 72 -19.299 -8.248 -13.847 1.00 0.00 N ATOM 0 H LYS A 72 -13.772 -8.887 -11.382 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.878 -8.734 -14.149 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.648 -9.101 -12.068 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.134 -7.520 -12.648 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.823 -8.326 -14.717 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.729 -9.694 -14.677 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.290 -11.022 -13.733 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.604 -9.860 -12.460 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.775 -9.727 -15.269 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.618 -10.341 -13.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.329 -8.170 -13.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.053 -8.039 -12.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.822 -7.568 -14.473 1.00 0.00 H new ATOM 1115 N LEU A 73 -14.383 -6.340 -14.920 1.00 0.00 N ATOM 1116 CA LEU A 73 -14.303 -4.968 -15.409 1.00 0.00 C ATOM 1117 C LEU A 73 -15.673 -4.467 -15.854 1.00 0.00 C ATOM 1118 O LEU A 73 -16.509 -5.226 -16.344 1.00 0.00 O ATOM 1119 CB LEU A 73 -13.313 -4.878 -16.572 1.00 0.00 C ATOM 1120 CG LEU A 73 -11.915 -5.440 -16.309 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -11.315 -6.001 -17.589 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -11.011 -4.367 -15.720 1.00 0.00 C ATOM 0 H LEU A 73 -14.717 -7.014 -15.609 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.954 -4.337 -14.592 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.739 -5.403 -17.427 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.214 -3.831 -16.858 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.001 -6.252 -15.586 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.320 -6.396 -17.382 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.951 -6.800 -17.969 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.243 -5.209 -18.335 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.021 -4.785 -15.539 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.932 -3.534 -16.419 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.432 -4.012 -14.779 1.00 0.00 H new ATOM 1134 N PRO A 74 -15.910 -3.158 -15.681 1.00 0.00 N ATOM 1135 CA PRO A 74 -17.177 -2.526 -16.060 1.00 0.00 C ATOM 1136 C PRO A 74 -17.362 -2.459 -17.572 1.00 0.00 C ATOM 1137 O PRO A 74 -16.391 -2.483 -18.328 1.00 0.00 O ATOM 1138 CB PRO A 74 -17.060 -1.117 -15.473 1.00 0.00 C ATOM 1139 CG PRO A 74 -15.594 -0.863 -15.388 1.00 0.00 C ATOM 1140 CD PRO A 74 -14.958 -2.195 -15.102 1.00 0.00 C ATOM 0 HA PRO A 74 -18.037 -3.086 -15.693 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -17.553 -0.381 -16.108 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -17.530 -1.057 -14.491 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.216 -0.442 -16.320 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.368 -0.145 -14.600 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.973 -2.277 -15.562 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.825 -2.355 -14.032 1.00 0.00 H new ATOM 1148 N LYS A 75 -18.614 -2.376 -18.007 1.00 0.00 N ATOM 1149 CA LYS A 75 -18.928 -2.304 -19.429 1.00 0.00 C ATOM 1150 C LYS A 75 -18.328 -1.050 -20.056 1.00 0.00 C ATOM 1151 O LYS A 75 -18.611 0.067 -19.624 1.00 0.00 O ATOM 1152 CB LYS A 75 -20.443 -2.318 -19.640 1.00 0.00 C ATOM 1153 CG LYS A 75 -20.901 -3.303 -20.702 1.00 0.00 C ATOM 1154 CD LYS A 75 -22.417 -3.380 -20.775 1.00 0.00 C ATOM 1155 CE LYS A 75 -22.882 -4.735 -21.285 1.00 0.00 C ATOM 1156 NZ LYS A 75 -24.233 -5.088 -20.768 1.00 0.00 N ATOM 0 H LYS A 75 -19.429 -2.357 -17.394 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.492 -3.176 -19.916 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -20.930 -2.562 -18.696 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -20.772 -1.317 -19.919 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.504 -3.004 -21.672 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.496 -4.291 -20.482 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -22.840 -3.197 -19.787 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -22.791 -2.595 -21.432 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -22.901 -4.726 -22.375 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -22.167 -5.501 -20.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -24.514 -6.018 -21.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -24.209 -5.122 -19.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -24.921 -4.371 -21.075 1.00 0.00 H new ATOM 1170 N GLY A 76 -17.499 -1.242 -21.077 1.00 0.00 N ATOM 1171 CA GLY A 76 -16.874 -0.116 -21.747 1.00 0.00 C ATOM 1172 C GLY A 76 -15.374 -0.283 -21.884 1.00 0.00 C ATOM 1173 O GLY A 76 -14.831 -0.207 -22.987 1.00 0.00 O ATOM 0 H GLY A 76 -17.249 -2.157 -21.452 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.315 0.004 -22.737 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.086 0.797 -21.190 1.00 0.00 H new ATOM 1177 N THR A 77 -14.700 -0.510 -20.761 1.00 0.00 N ATOM 1178 CA THR A 77 -13.253 -0.685 -20.760 1.00 0.00 C ATOM 1179 C THR A 77 -12.814 -1.637 -21.867 1.00 0.00 C ATOM 1180 O THR A 77 -12.077 -1.251 -22.775 1.00 0.00 O ATOM 1181 CB THR A 77 -12.754 -1.225 -19.406 1.00 0.00 C ATOM 1182 OG1 THR A 77 -13.035 -0.279 -18.368 1.00 0.00 O ATOM 1183 CG2 THR A 77 -11.259 -1.504 -19.453 1.00 0.00 C ATOM 0 H THR A 77 -15.133 -0.577 -19.840 1.00 0.00 H new ATOM 0 HA THR A 77 -12.815 0.298 -20.935 1.00 0.00 H new ATOM 0 HB THR A 77 -13.276 -2.159 -19.197 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.716 -0.630 -17.510 1.00 0.00 H new ATOM 0 HG21 THR A 77 -10.929 -1.884 -18.486 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.051 -2.245 -20.225 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.724 -0.582 -19.682 1.00 0.00 H new ATOM 1191 N VAL A 78 -13.271 -2.883 -21.786 1.00 0.00 N ATOM 1192 CA VAL A 78 -12.926 -3.890 -22.782 1.00 0.00 C ATOM 1193 C VAL A 78 -13.944 -3.911 -23.917 1.00 0.00 C ATOM 1194 O VAL A 78 -15.082 -3.472 -23.752 1.00 0.00 O ATOM 1195 CB VAL A 78 -12.842 -5.294 -22.155 1.00 0.00 C ATOM 1196 CG1 VAL A 78 -12.335 -6.304 -23.173 1.00 0.00 C ATOM 1197 CG2 VAL A 78 -11.950 -5.274 -20.922 1.00 0.00 C ATOM 0 H VAL A 78 -13.881 -3.219 -21.041 1.00 0.00 H new ATOM 0 HA VAL A 78 -11.948 -3.620 -23.180 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.843 -5.596 -21.847 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.282 -7.290 -22.712 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.016 -6.337 -24.023 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.343 -6.010 -23.514 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.902 -6.274 -20.492 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.948 -4.951 -21.203 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.361 -4.582 -20.187 1.00 0.00 H new