USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=9 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 -168:sc=-0.00387 (180deg=-0.191) USER MOD Single : A 16 MET CE :methyl 164:sc= -0.163 (180deg=-0.22) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -132:sc= 0 (180deg=-0.976) USER MOD Single : A 35 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.42) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -4.54! C(o=-4.5!,f=-4.7!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HE2:sc= -1.29! C(o=-1.3!,f=-7.1!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS :FLIP no HE2:sc= -0.979 F(o=-2.6,f=-0.98) 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 105:sc= 0.0862 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -1.057 -7.059 -17.492 1.00 0.00 N ATOM 67 CA ARG A 8 -2.334 -7.737 -17.304 1.00 0.00 C ATOM 68 C ARG A 8 -3.159 -7.708 -18.587 1.00 0.00 C ATOM 69 O ARG A 8 -3.145 -6.722 -19.323 1.00 0.00 O ATOM 70 CB ARG A 8 -3.120 -7.083 -16.165 1.00 0.00 C ATOM 71 CG ARG A 8 -3.130 -5.565 -16.225 1.00 0.00 C ATOM 72 CD ARG A 8 -1.990 -4.968 -15.414 1.00 0.00 C ATOM 73 NE ARG A 8 -2.048 -3.509 -15.380 1.00 0.00 N ATOM 74 CZ ARG A 8 -1.699 -2.736 -16.402 1.00 0.00 C ATOM 75 NH1 ARG A 8 -1.271 -3.279 -17.533 1.00 0.00 N ATOM 76 NH2 ARG A 8 -1.780 -1.416 -16.294 1.00 0.00 N ATOM 0 HA ARG A 8 -2.131 -8.776 -17.046 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.148 -7.446 -16.189 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.693 -7.398 -15.213 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.049 -5.240 -17.262 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -4.082 -5.191 -15.847 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.027 -5.356 -14.396 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.038 -5.283 -15.841 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.374 -3.059 -14.525 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.209 -4.293 -17.620 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.004 -2.682 -18.316 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.110 -0.995 -15.426 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.512 -0.823 -17.079 1.00 0.00 H new ATOM 90 N GLU A 9 -3.876 -8.796 -18.849 1.00 0.00 N ATOM 91 CA GLU A 9 -4.706 -8.895 -20.044 1.00 0.00 C ATOM 92 C GLU A 9 -6.183 -8.999 -19.674 1.00 0.00 C ATOM 93 O GLU A 9 -6.530 -9.456 -18.586 1.00 0.00 O ATOM 94 CB GLU A 9 -4.292 -10.108 -20.880 1.00 0.00 C ATOM 95 CG GLU A 9 -2.856 -10.046 -21.373 1.00 0.00 C ATOM 96 CD GLU A 9 -2.761 -9.793 -22.865 1.00 0.00 C ATOM 97 OE1 GLU A 9 -3.545 -10.404 -23.621 1.00 0.00 O ATOM 98 OE2 GLU A 9 -1.903 -8.984 -23.276 1.00 0.00 O ATOM 0 H GLU A 9 -3.899 -9.621 -18.250 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.560 -7.989 -20.633 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.424 -11.011 -20.284 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.959 -10.192 -21.738 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.327 -9.256 -20.840 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.353 -10.983 -21.135 1.00 0.00 H new ATOM 105 N MET A 10 -7.047 -8.571 -20.589 1.00 0.00 N ATOM 106 CA MET A 10 -8.486 -8.616 -20.359 1.00 0.00 C ATOM 107 C MET A 10 -9.206 -9.249 -21.546 1.00 0.00 C ATOM 108 O MET A 10 -8.892 -8.961 -22.700 1.00 0.00 O ATOM 109 CB MET A 10 -9.029 -7.207 -20.111 1.00 0.00 C ATOM 110 CG MET A 10 -8.084 -6.324 -19.313 1.00 0.00 C ATOM 111 SD MET A 10 -8.794 -4.710 -18.935 1.00 0.00 S ATOM 112 CE MET A 10 -8.813 -3.959 -20.560 1.00 0.00 C ATOM 0 H MET A 10 -6.776 -8.190 -21.495 1.00 0.00 H new ATOM 0 HA MET A 10 -8.669 -9.229 -19.476 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.235 -6.732 -21.070 1.00 0.00 H new ATOM 0 HB3 MET A 10 -9.979 -7.280 -19.581 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.821 -6.828 -18.383 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.160 -6.188 -19.874 1.00 0.00 H new ATOM 0 HE1 MET A 10 -9.022 -2.893 -20.466 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.843 -4.098 -21.036 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.586 -4.428 -21.168 1.00 0.00 H new ATOM 122 N GLY A 11 -10.174 -10.113 -21.253 1.00 0.00 N ATOM 123 CA GLY A 11 -10.922 -10.773 -22.307 1.00 0.00 C ATOM 124 C GLY A 11 -12.312 -11.184 -21.861 1.00 0.00 C ATOM 125 O GLY A 11 -12.972 -10.460 -21.115 1.00 0.00 O ATOM 0 H GLY A 11 -10.453 -10.367 -20.305 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.002 -10.105 -23.165 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.375 -11.655 -22.639 1.00 0.00 H new ATOM 129 N VAL A 12 -12.758 -12.349 -22.320 1.00 0.00 N ATOM 130 CA VAL A 12 -14.079 -12.855 -21.964 1.00 0.00 C ATOM 131 C VAL A 12 -14.029 -14.346 -21.651 1.00 0.00 C ATOM 132 O VAL A 12 -13.296 -15.101 -22.290 1.00 0.00 O ATOM 133 CB VAL A 12 -15.096 -12.612 -23.095 1.00 0.00 C ATOM 134 CG1 VAL A 12 -15.554 -11.162 -23.099 1.00 0.00 C ATOM 135 CG2 VAL A 12 -14.498 -12.995 -24.441 1.00 0.00 C ATOM 0 H VAL A 12 -12.225 -12.960 -22.939 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.399 -12.311 -21.075 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.967 -13.242 -22.918 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.272 -11.009 -23.905 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.024 -10.926 -22.144 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.694 -10.509 -23.251 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.230 -12.817 -25.228 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.609 -12.393 -24.629 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.226 -14.050 -24.431 1.00 0.00 H new ATOM 145 N ILE A 13 -14.815 -14.764 -20.665 1.00 0.00 N ATOM 146 CA ILE A 13 -14.863 -16.165 -20.268 1.00 0.00 C ATOM 147 C ILE A 13 -15.496 -17.024 -21.357 1.00 0.00 C ATOM 148 O ILE A 13 -16.462 -16.615 -22.000 1.00 0.00 O ATOM 149 CB ILE A 13 -15.651 -16.353 -18.958 1.00 0.00 C ATOM 150 CG1 ILE A 13 -14.981 -15.583 -17.819 1.00 0.00 C ATOM 151 CG2 ILE A 13 -15.760 -17.831 -18.613 1.00 0.00 C ATOM 152 CD1 ILE A 13 -13.671 -16.190 -17.367 1.00 0.00 C ATOM 0 H ILE A 13 -15.428 -14.152 -20.126 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.832 -16.483 -20.111 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.657 -15.957 -19.097 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.805 -14.556 -18.140 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.664 -15.539 -16.970 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.319 -17.948 -17.685 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.277 -18.355 -19.417 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.762 -18.251 -18.490 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.253 -15.592 -16.557 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -13.844 -17.207 -17.015 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -12.971 -16.209 -18.203 1.00 0.00 H new ATOM 164 N ALA A 14 -14.946 -18.217 -21.556 1.00 0.00 N ATOM 165 CA ALA A 14 -15.460 -19.136 -22.565 1.00 0.00 C ATOM 166 C ALA A 14 -16.178 -20.316 -21.918 1.00 0.00 C ATOM 167 O ALA A 14 -17.163 -20.824 -22.453 1.00 0.00 O ATOM 168 CB ALA A 14 -14.328 -19.628 -23.455 1.00 0.00 C ATOM 0 H ALA A 14 -14.145 -18.570 -21.032 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.182 -18.597 -23.178 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.725 -20.313 -24.204 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.861 -18.778 -23.952 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.586 -20.146 -22.847 1.00 0.00 H new ATOM 174 N ALA A 15 -15.678 -20.747 -20.765 1.00 0.00 N ATOM 175 CA ALA A 15 -16.273 -21.866 -20.045 1.00 0.00 C ATOM 176 C ALA A 15 -16.083 -21.713 -18.539 1.00 0.00 C ATOM 177 O ALA A 15 -15.157 -21.041 -18.086 1.00 0.00 O ATOM 178 CB ALA A 15 -15.674 -23.180 -20.523 1.00 0.00 C ATOM 0 H ALA A 15 -14.862 -20.338 -20.309 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.343 -21.871 -20.252 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.128 -24.007 -19.977 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.866 -23.301 -21.589 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.598 -23.175 -20.346 1.00 0.00 H new ATOM 184 N MET A 16 -16.967 -22.340 -17.770 1.00 0.00 N ATOM 185 CA MET A 16 -16.896 -22.273 -16.315 1.00 0.00 C ATOM 186 C MET A 16 -17.105 -23.652 -15.697 1.00 0.00 C ATOM 187 O MET A 16 -17.819 -23.796 -14.704 1.00 0.00 O ATOM 188 CB MET A 16 -17.942 -21.296 -15.776 1.00 0.00 C ATOM 189 CG MET A 16 -17.589 -19.836 -16.012 1.00 0.00 C ATOM 190 SD MET A 16 -16.589 -19.141 -14.682 1.00 0.00 S ATOM 191 CE MET A 16 -17.851 -18.777 -13.464 1.00 0.00 C ATOM 0 H MET A 16 -17.740 -22.900 -18.130 1.00 0.00 H new ATOM 0 HA MET A 16 -15.903 -21.918 -16.041 1.00 0.00 H new ATOM 0 HB2 MET A 16 -18.902 -21.509 -16.245 1.00 0.00 H new ATOM 0 HB3 MET A 16 -18.066 -21.463 -14.706 1.00 0.00 H new ATOM 0 HG2 MET A 16 -17.048 -19.744 -16.954 1.00 0.00 H new ATOM 0 HG3 MET A 16 -18.506 -19.256 -16.113 1.00 0.00 H new ATOM 0 HE1 MET A 16 -17.383 -18.613 -12.493 1.00 0.00 H new ATOM 0 HE2 MET A 16 -18.395 -17.881 -13.761 1.00 0.00 H new ATOM 0 HE3 MET A 16 -18.543 -19.616 -13.396 1.00 0.00 H new ATOM 201 N ARG A 17 -16.478 -24.663 -16.290 1.00 0.00 N ATOM 202 CA ARG A 17 -16.598 -26.030 -15.798 1.00 0.00 C ATOM 203 C ARG A 17 -16.520 -26.068 -14.274 1.00 0.00 C ATOM 204 O ARG A 17 -15.841 -25.248 -13.657 1.00 0.00 O ATOM 205 CB ARG A 17 -15.498 -26.908 -16.398 1.00 0.00 C ATOM 206 CG ARG A 17 -15.567 -27.021 -17.912 1.00 0.00 C ATOM 207 CD ARG A 17 -16.772 -27.834 -18.356 1.00 0.00 C ATOM 208 NE ARG A 17 -18.004 -27.052 -18.319 1.00 0.00 N ATOM 209 CZ ARG A 17 -18.306 -26.112 -19.208 1.00 0.00 C ATOM 210 NH1 ARG A 17 -17.468 -25.840 -20.199 1.00 0.00 N ATOM 211 NH2 ARG A 17 -19.447 -25.443 -19.107 1.00 0.00 N ATOM 0 H ARG A 17 -15.882 -24.561 -17.111 1.00 0.00 H new ATOM 0 HA ARG A 17 -17.570 -26.417 -16.104 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.527 -26.502 -16.116 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.564 -27.906 -15.964 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.618 -26.024 -18.350 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.655 -27.487 -18.285 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.607 -28.203 -19.368 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.877 -28.707 -17.712 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.670 -27.238 -17.569 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.590 -26.353 -20.280 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.701 -25.118 -20.881 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -20.094 -25.650 -18.346 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.677 -24.722 -19.790 1.00 0.00 H new ATOM 225 N ASP A 18 -17.220 -27.025 -13.676 1.00 0.00 N ATOM 226 CA ASP A 18 -17.230 -27.171 -12.225 1.00 0.00 C ATOM 227 C ASP A 18 -15.826 -27.453 -11.697 1.00 0.00 C ATOM 228 O ASP A 18 -15.405 -28.605 -11.609 1.00 0.00 O ATOM 229 CB ASP A 18 -18.179 -28.297 -11.810 1.00 0.00 C ATOM 230 CG ASP A 18 -19.619 -27.831 -11.708 1.00 0.00 C ATOM 231 OD1 ASP A 18 -20.014 -27.358 -10.622 1.00 0.00 O ATOM 232 OD2 ASP A 18 -20.349 -27.940 -12.715 1.00 0.00 O ATOM 0 H ASP A 18 -17.788 -27.711 -14.173 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.580 -26.233 -11.793 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -18.113 -29.109 -12.534 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -17.861 -28.700 -10.848 1.00 0.00 H new ATOM 237 N GLY A 19 -15.106 -26.391 -11.348 1.00 0.00 N ATOM 238 CA GLY A 19 -13.758 -26.545 -10.835 1.00 0.00 C ATOM 239 C GLY A 19 -12.760 -25.656 -11.550 1.00 0.00 C ATOM 240 O GLY A 19 -11.741 -25.268 -10.978 1.00 0.00 O ATOM 0 H GLY A 19 -15.433 -25.427 -11.412 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.749 -26.313 -9.770 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.451 -27.586 -10.937 1.00 0.00 H new ATOM 244 N PHE A 20 -13.052 -25.332 -12.806 1.00 0.00 N ATOM 245 CA PHE A 20 -12.171 -24.484 -13.601 1.00 0.00 C ATOM 246 C PHE A 20 -12.934 -23.837 -14.754 1.00 0.00 C ATOM 247 O PHE A 20 -14.119 -24.100 -14.953 1.00 0.00 O ATOM 248 CB PHE A 20 -10.998 -25.301 -14.146 1.00 0.00 C ATOM 249 CG PHE A 20 -11.363 -26.168 -15.316 1.00 0.00 C ATOM 250 CD1 PHE A 20 -11.837 -27.456 -15.120 1.00 0.00 C ATOM 251 CD2 PHE A 20 -11.234 -25.696 -16.612 1.00 0.00 C ATOM 252 CE1 PHE A 20 -12.173 -28.256 -16.196 1.00 0.00 C ATOM 253 CE2 PHE A 20 -11.570 -26.492 -17.692 1.00 0.00 C ATOM 254 CZ PHE A 20 -12.040 -27.773 -17.483 1.00 0.00 C ATOM 0 H PHE A 20 -13.891 -25.644 -13.295 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.786 -23.695 -12.955 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -10.199 -24.621 -14.443 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.602 -25.929 -13.348 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.945 -27.838 -14.116 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.867 -24.695 -16.781 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -12.539 -29.258 -16.030 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -11.465 -26.112 -18.697 1.00 0.00 H new ATOM 0 HZ PHE A 20 -12.303 -28.397 -18.325 1.00 0.00 H new ATOM 264 N GLY A 21 -12.244 -22.989 -15.510 1.00 0.00 N ATOM 265 CA GLY A 21 -12.872 -22.317 -16.633 1.00 0.00 C ATOM 266 C GLY A 21 -11.878 -21.946 -17.716 1.00 0.00 C ATOM 267 O GLY A 21 -10.806 -22.545 -17.817 1.00 0.00 O ATOM 0 H GLY A 21 -11.262 -22.755 -15.365 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.641 -22.964 -17.056 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.373 -21.416 -16.279 1.00 0.00 H new ATOM 271 N PHE A 22 -12.233 -20.957 -18.529 1.00 0.00 N ATOM 272 CA PHE A 22 -11.365 -20.509 -19.612 1.00 0.00 C ATOM 273 C PHE A 22 -11.651 -19.053 -19.970 1.00 0.00 C ATOM 274 O PHE A 22 -12.777 -18.577 -19.826 1.00 0.00 O ATOM 275 CB PHE A 22 -11.553 -21.395 -20.845 1.00 0.00 C ATOM 276 CG PHE A 22 -10.719 -22.644 -20.817 1.00 0.00 C ATOM 277 CD1 PHE A 22 -9.344 -22.572 -20.666 1.00 0.00 C ATOM 278 CD2 PHE A 22 -11.311 -23.891 -20.942 1.00 0.00 C ATOM 279 CE1 PHE A 22 -8.574 -23.720 -20.641 1.00 0.00 C ATOM 280 CE2 PHE A 22 -10.547 -25.042 -20.917 1.00 0.00 C ATOM 281 CZ PHE A 22 -9.177 -24.957 -20.765 1.00 0.00 C ATOM 0 H PHE A 22 -13.116 -20.450 -18.459 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.332 -20.586 -19.272 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -12.604 -21.671 -20.928 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.303 -20.821 -21.737 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.868 -21.608 -20.567 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -12.382 -23.964 -21.060 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.503 -23.650 -20.525 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -11.021 -26.007 -21.016 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.578 -25.856 -20.743 1.00 0.00 H new ATOM 291 N ILE A 23 -10.623 -18.352 -20.436 1.00 0.00 N ATOM 292 CA ILE A 23 -10.763 -16.952 -20.816 1.00 0.00 C ATOM 293 C ILE A 23 -10.162 -16.693 -22.193 1.00 0.00 C ATOM 294 O ILE A 23 -8.948 -16.772 -22.379 1.00 0.00 O ATOM 295 CB ILE A 23 -10.088 -16.021 -19.791 1.00 0.00 C ATOM 296 CG1 ILE A 23 -10.604 -16.319 -18.381 1.00 0.00 C ATOM 297 CG2 ILE A 23 -10.336 -14.565 -20.155 1.00 0.00 C ATOM 298 CD1 ILE A 23 -9.546 -16.181 -17.309 1.00 0.00 C ATOM 0 H ILE A 23 -9.684 -18.731 -20.559 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.831 -16.738 -20.842 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.013 -16.202 -19.810 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.429 -15.644 -18.155 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.005 -17.332 -18.356 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.853 -13.919 -19.422 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.925 -14.362 -21.144 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.408 -14.369 -20.161 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.982 -16.407 -16.336 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.731 -16.876 -17.511 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.162 -15.161 -17.306 1.00 0.00 H new ATOM 310 N LYS A 24 -11.021 -16.381 -23.158 1.00 0.00 N ATOM 311 CA LYS A 24 -10.577 -16.106 -24.519 1.00 0.00 C ATOM 312 C LYS A 24 -10.078 -14.671 -24.649 1.00 0.00 C ATOM 313 O LYS A 24 -10.822 -13.720 -24.406 1.00 0.00 O ATOM 314 CB LYS A 24 -11.718 -16.352 -25.509 1.00 0.00 C ATOM 315 CG LYS A 24 -11.402 -15.903 -26.925 1.00 0.00 C ATOM 316 CD LYS A 24 -12.375 -16.498 -27.929 1.00 0.00 C ATOM 317 CE LYS A 24 -13.535 -15.554 -28.208 1.00 0.00 C ATOM 318 NZ LYS A 24 -14.773 -15.969 -27.493 1.00 0.00 N ATOM 0 H LYS A 24 -12.030 -16.312 -23.022 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.753 -16.781 -24.749 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.956 -17.416 -25.519 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.609 -15.829 -25.161 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.441 -14.815 -26.980 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.385 -16.199 -27.183 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.851 -16.717 -28.859 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.758 -17.445 -27.549 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.262 -14.543 -27.904 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.728 -15.523 -29.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.540 -15.300 -27.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.049 -16.923 -27.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.597 -15.974 -26.468 1.00 0.00 H new ATOM 332 N CYS A 25 -8.816 -14.521 -25.036 1.00 0.00 N ATOM 333 CA CYS A 25 -8.218 -13.201 -25.199 1.00 0.00 C ATOM 334 C CYS A 25 -8.652 -12.566 -26.516 1.00 0.00 C ATOM 335 O CYS A 25 -8.937 -13.264 -27.490 1.00 0.00 O ATOM 336 CB CYS A 25 -6.692 -13.299 -25.145 1.00 0.00 C ATOM 337 SG CYS A 25 -6.008 -13.248 -23.473 1.00 0.00 S ATOM 0 H CYS A 25 -8.187 -15.297 -25.243 1.00 0.00 H new ATOM 0 HA CYS A 25 -8.564 -12.569 -24.381 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.381 -14.227 -25.625 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.265 -12.481 -25.726 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.713 -13.340 -23.531 1.00 0.00 H new ATOM 343 N VAL A 26 -8.703 -11.238 -26.539 1.00 0.00 N ATOM 344 CA VAL A 26 -9.104 -10.509 -27.736 1.00 0.00 C ATOM 345 C VAL A 26 -8.018 -10.567 -28.804 1.00 0.00 C ATOM 346 O VAL A 26 -8.307 -10.528 -30.000 1.00 0.00 O ATOM 347 CB VAL A 26 -9.416 -9.035 -27.416 1.00 0.00 C ATOM 348 CG1 VAL A 26 -10.558 -8.935 -26.416 1.00 0.00 C ATOM 349 CG2 VAL A 26 -8.175 -8.329 -26.892 1.00 0.00 C ATOM 0 H VAL A 26 -8.472 -10.645 -25.742 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.006 -10.990 -28.113 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.726 -8.540 -28.336 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.764 -7.886 -26.202 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.450 -9.402 -26.834 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.280 -9.445 -25.494 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.414 -7.289 -26.671 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.832 -8.823 -25.983 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.388 -8.368 -27.646 1.00 0.00 H new ATOM 359 N ASP A 27 -6.768 -10.660 -28.364 1.00 0.00 N ATOM 360 CA ASP A 27 -5.637 -10.725 -29.283 1.00 0.00 C ATOM 361 C ASP A 27 -5.034 -12.126 -29.305 1.00 0.00 C ATOM 362 O ASP A 27 -4.720 -12.661 -30.368 1.00 0.00 O ATOM 363 CB ASP A 27 -4.570 -9.704 -28.886 1.00 0.00 C ATOM 364 CG ASP A 27 -3.511 -9.527 -29.956 1.00 0.00 C ATOM 365 OD1 ASP A 27 -3.865 -9.111 -31.079 1.00 0.00 O ATOM 366 OD2 ASP A 27 -2.327 -9.804 -29.670 1.00 0.00 O ATOM 0 H ASP A 27 -6.512 -10.692 -27.377 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.000 -10.489 -30.283 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.046 -8.744 -28.688 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.095 -10.022 -27.958 1.00 0.00 H new ATOM 371 N ARG A 28 -4.875 -12.715 -28.124 1.00 0.00 N ATOM 372 CA ARG A 28 -4.308 -14.053 -28.007 1.00 0.00 C ATOM 373 C ARG A 28 -5.352 -15.116 -28.336 1.00 0.00 C ATOM 374 O ARG A 28 -6.451 -15.113 -27.782 1.00 0.00 O ATOM 375 CB ARG A 28 -3.763 -14.277 -26.595 1.00 0.00 C ATOM 376 CG ARG A 28 -2.246 -14.333 -26.530 1.00 0.00 C ATOM 377 CD ARG A 28 -1.760 -14.661 -25.127 1.00 0.00 C ATOM 378 NE ARG A 28 -0.363 -14.285 -24.929 1.00 0.00 N ATOM 379 CZ ARG A 28 0.057 -13.026 -24.861 1.00 0.00 C ATOM 380 NH1 ARG A 28 -0.809 -12.028 -24.974 1.00 0.00 N ATOM 381 NH2 ARG A 28 1.345 -12.764 -24.680 1.00 0.00 N ATOM 0 H ARG A 28 -5.131 -12.286 -27.235 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.490 -14.138 -28.722 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.117 -13.475 -25.947 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.170 -15.208 -26.201 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.878 -15.085 -27.229 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.832 -13.375 -26.845 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.382 -14.142 -24.398 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.877 -15.729 -24.943 1.00 0.00 H new ATOM 0 HE ARG A 28 0.328 -15.029 -24.838 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.800 -12.226 -25.113 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.484 -11.063 -24.921 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.014 -13.529 -24.593 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.666 -11.797 -24.628 1.00 0.00 H new ATOM 395 N ASP A 29 -5.000 -16.023 -29.240 1.00 0.00 N ATOM 396 CA ASP A 29 -5.905 -17.093 -29.643 1.00 0.00 C ATOM 397 C ASP A 29 -5.759 -18.303 -28.725 1.00 0.00 C ATOM 398 O ASP A 29 -5.901 -19.446 -29.160 1.00 0.00 O ATOM 399 CB ASP A 29 -5.634 -17.501 -31.092 1.00 0.00 C ATOM 400 CG ASP A 29 -6.652 -16.925 -32.056 1.00 0.00 C ATOM 401 OD1 ASP A 29 -6.434 -15.797 -32.544 1.00 0.00 O ATOM 402 OD2 ASP A 29 -7.668 -17.602 -32.322 1.00 0.00 O ATOM 0 H ASP A 29 -4.094 -16.039 -29.708 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.926 -16.720 -29.564 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.637 -17.168 -31.380 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.641 -18.588 -31.168 1.00 0.00 H new ATOM 407 N VAL A 30 -5.475 -18.043 -27.453 1.00 0.00 N ATOM 408 CA VAL A 30 -5.310 -19.110 -26.473 1.00 0.00 C ATOM 409 C VAL A 30 -6.043 -18.784 -25.177 1.00 0.00 C ATOM 410 O VAL A 30 -6.028 -17.644 -24.713 1.00 0.00 O ATOM 411 CB VAL A 30 -3.823 -19.359 -26.160 1.00 0.00 C ATOM 412 CG1 VAL A 30 -3.114 -19.951 -27.368 1.00 0.00 C ATOM 413 CG2 VAL A 30 -3.149 -18.070 -25.714 1.00 0.00 C ATOM 0 H VAL A 30 -5.354 -17.103 -27.077 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.737 -20.012 -26.912 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.758 -20.078 -25.343 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.064 -20.120 -27.127 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.582 -20.898 -27.636 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.187 -19.260 -28.208 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.099 -18.265 -25.497 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.224 -17.327 -26.508 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.641 -17.694 -24.817 1.00 0.00 H new ATOM 423 N ARG A 31 -6.684 -19.793 -24.596 1.00 0.00 N ATOM 424 CA ARG A 31 -7.425 -19.614 -23.353 1.00 0.00 C ATOM 425 C ARG A 31 -6.489 -19.671 -22.150 1.00 0.00 C ATOM 426 O ARG A 31 -5.405 -20.249 -22.221 1.00 0.00 O ATOM 427 CB ARG A 31 -8.509 -20.685 -23.221 1.00 0.00 C ATOM 428 CG ARG A 31 -9.291 -20.921 -24.503 1.00 0.00 C ATOM 429 CD ARG A 31 -9.732 -22.371 -24.628 1.00 0.00 C ATOM 430 NE ARG A 31 -9.414 -22.928 -25.940 1.00 0.00 N ATOM 431 CZ ARG A 31 -8.213 -23.390 -26.271 1.00 0.00 C ATOM 432 NH1 ARG A 31 -7.222 -23.361 -25.391 1.00 0.00 N ATOM 433 NH2 ARG A 31 -8.001 -23.882 -27.485 1.00 0.00 N ATOM 0 H ARG A 31 -6.705 -20.743 -24.966 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.897 -18.632 -23.379 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.046 -21.622 -22.910 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.202 -20.394 -22.431 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.166 -20.271 -24.522 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.675 -20.652 -25.361 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.246 -22.966 -23.854 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.806 -22.439 -24.456 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.154 -22.964 -26.641 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.380 -22.983 -24.457 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.301 -23.716 -25.648 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.761 -23.906 -28.165 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.079 -24.236 -27.738 1.00 0.00 H new ATOM 447 N MET A 32 -6.915 -19.068 -21.045 1.00 0.00 N ATOM 448 CA MET A 32 -6.115 -19.051 -19.826 1.00 0.00 C ATOM 449 C MET A 32 -6.806 -19.831 -18.712 1.00 0.00 C ATOM 450 O MET A 32 -7.593 -19.273 -17.946 1.00 0.00 O ATOM 451 CB MET A 32 -5.862 -17.611 -19.376 1.00 0.00 C ATOM 452 CG MET A 32 -5.181 -17.509 -18.021 1.00 0.00 C ATOM 453 SD MET A 32 -3.477 -18.099 -18.054 1.00 0.00 S ATOM 454 CE MET A 32 -2.650 -16.702 -18.811 1.00 0.00 C ATOM 0 H MET A 32 -7.810 -18.585 -20.969 1.00 0.00 H new ATOM 0 HA MET A 32 -5.159 -19.529 -20.041 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.246 -17.109 -20.122 1.00 0.00 H new ATOM 0 HB3 MET A 32 -6.812 -17.079 -19.337 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.196 -16.471 -17.689 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.747 -18.086 -17.290 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.000 -17.054 -19.612 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.393 -16.018 -19.221 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.053 -16.183 -18.061 1.00 0.00 H new ATOM 464 N PHE A 33 -6.508 -21.123 -18.626 1.00 0.00 N ATOM 465 CA PHE A 33 -7.102 -21.979 -17.606 1.00 0.00 C ATOM 466 C PHE A 33 -6.912 -21.380 -16.216 1.00 0.00 C ATOM 467 O PHE A 33 -5.838 -21.484 -15.624 1.00 0.00 O ATOM 468 CB PHE A 33 -6.483 -23.377 -17.660 1.00 0.00 C ATOM 469 CG PHE A 33 -6.521 -24.101 -16.344 1.00 0.00 C ATOM 470 CD1 PHE A 33 -7.638 -24.832 -15.974 1.00 0.00 C ATOM 471 CD2 PHE A 33 -5.441 -24.050 -15.479 1.00 0.00 C ATOM 472 CE1 PHE A 33 -7.677 -25.498 -14.763 1.00 0.00 C ATOM 473 CE2 PHE A 33 -5.473 -24.715 -14.267 1.00 0.00 C ATOM 474 CZ PHE A 33 -6.592 -25.441 -13.909 1.00 0.00 C ATOM 0 H PHE A 33 -5.858 -21.600 -19.251 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.171 -22.054 -17.807 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -7.010 -23.970 -18.407 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.448 -23.295 -17.991 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.488 -24.882 -16.639 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.563 -23.484 -15.754 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.555 -26.062 -14.485 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.624 -24.667 -13.601 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.619 -25.963 -12.964 1.00 0.00 H new ATOM 484 N PHE A 34 -7.964 -20.751 -15.701 1.00 0.00 N ATOM 485 CA PHE A 34 -7.914 -20.133 -14.381 1.00 0.00 C ATOM 486 C PHE A 34 -8.559 -21.036 -13.333 1.00 0.00 C ATOM 487 O PHE A 34 -9.291 -21.969 -13.667 1.00 0.00 O ATOM 488 CB PHE A 34 -8.617 -18.775 -14.403 1.00 0.00 C ATOM 489 CG PHE A 34 -10.102 -18.872 -14.609 1.00 0.00 C ATOM 490 CD1 PHE A 34 -10.636 -18.929 -15.886 1.00 0.00 C ATOM 491 CD2 PHE A 34 -10.964 -18.908 -13.524 1.00 0.00 C ATOM 492 CE1 PHE A 34 -12.002 -19.017 -16.078 1.00 0.00 C ATOM 493 CE2 PHE A 34 -12.331 -18.997 -13.710 1.00 0.00 C ATOM 494 CZ PHE A 34 -12.850 -19.053 -14.988 1.00 0.00 C ATOM 0 H PHE A 34 -8.861 -20.656 -16.178 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.867 -19.987 -14.115 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.422 -18.258 -13.463 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.187 -18.165 -15.197 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.977 -18.904 -16.742 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.563 -18.866 -12.522 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -12.406 -19.058 -17.079 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.992 -19.023 -12.856 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.917 -19.125 -15.135 1.00 0.00 H new ATOM 504 N HIS A 35 -8.283 -20.751 -12.064 1.00 0.00 N ATOM 505 CA HIS A 35 -8.836 -21.537 -10.967 1.00 0.00 C ATOM 506 C HIS A 35 -9.854 -20.721 -10.175 1.00 0.00 C ATOM 507 O HIS A 35 -9.806 -19.491 -10.164 1.00 0.00 O ATOM 508 CB HIS A 35 -7.718 -22.016 -10.041 1.00 0.00 C ATOM 509 CG HIS A 35 -7.375 -23.464 -10.215 1.00 0.00 C ATOM 510 ND1 HIS A 35 -6.107 -23.967 -10.013 1.00 0.00 N ATOM 511 CD2 HIS A 35 -8.144 -24.519 -10.574 1.00 0.00 C ATOM 512 CE1 HIS A 35 -6.111 -25.268 -10.241 1.00 0.00 C ATOM 513 NE2 HIS A 35 -7.335 -25.628 -10.583 1.00 0.00 N ATOM 0 H HIS A 35 -7.680 -19.982 -11.770 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.342 -22.404 -11.392 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.826 -21.416 -10.221 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.015 -21.843 -9.007 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.198 -24.493 -10.809 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.258 -25.926 -10.161 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -7.631 -26.576 -10.816 1.00 0.00 H new ATOM 521 N PHE A 36 -10.775 -21.415 -9.514 1.00 0.00 N ATOM 522 CA PHE A 36 -11.806 -20.756 -8.721 1.00 0.00 C ATOM 523 C PHE A 36 -11.269 -20.367 -7.346 1.00 0.00 C ATOM 524 O PHE A 36 -11.955 -20.515 -6.335 1.00 0.00 O ATOM 525 CB PHE A 36 -13.023 -21.670 -8.566 1.00 0.00 C ATOM 526 CG PHE A 36 -14.007 -21.554 -9.695 1.00 0.00 C ATOM 527 CD1 PHE A 36 -15.017 -20.607 -9.656 1.00 0.00 C ATOM 528 CD2 PHE A 36 -13.921 -22.393 -10.794 1.00 0.00 C ATOM 529 CE1 PHE A 36 -15.924 -20.498 -10.694 1.00 0.00 C ATOM 530 CE2 PHE A 36 -14.825 -22.288 -11.835 1.00 0.00 C ATOM 531 CZ PHE A 36 -15.828 -21.341 -11.784 1.00 0.00 C ATOM 0 H PHE A 36 -10.828 -22.434 -9.512 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.107 -19.848 -9.244 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.684 -22.704 -8.494 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.528 -21.434 -7.629 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -15.097 -19.946 -8.805 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -13.139 -23.137 -10.838 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -16.706 -19.755 -10.653 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -14.746 -22.946 -12.687 1.00 0.00 H new ATOM 0 HZ PHE A 36 -16.537 -21.259 -12.595 1.00 0.00 H new ATOM 541 N SER A 37 -10.036 -19.870 -7.317 1.00 0.00 N ATOM 542 CA SER A 37 -9.405 -19.465 -6.067 1.00 0.00 C ATOM 543 C SER A 37 -8.920 -18.020 -6.147 1.00 0.00 C ATOM 544 O SER A 37 -8.799 -17.339 -5.130 1.00 0.00 O ATOM 545 CB SER A 37 -8.232 -20.391 -5.740 1.00 0.00 C ATOM 546 OG SER A 37 -8.493 -21.154 -4.575 1.00 0.00 O ATOM 0 H SER A 37 -9.455 -19.738 -8.145 1.00 0.00 H new ATOM 0 HA SER A 37 -10.148 -19.538 -5.273 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.046 -21.059 -6.581 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.327 -19.800 -5.596 1.00 0.00 H new ATOM 0 HG SER A 37 -7.729 -21.739 -4.389 1.00 0.00 H new ATOM 552 N GLU A 38 -8.645 -17.561 -7.364 1.00 0.00 N ATOM 553 CA GLU A 38 -8.173 -16.198 -7.577 1.00 0.00 C ATOM 554 C GLU A 38 -9.345 -15.229 -7.699 1.00 0.00 C ATOM 555 O GLU A 38 -9.162 -14.012 -7.678 1.00 0.00 O ATOM 556 CB GLU A 38 -7.304 -16.126 -8.835 1.00 0.00 C ATOM 557 CG GLU A 38 -6.022 -16.935 -8.736 1.00 0.00 C ATOM 558 CD GLU A 38 -5.206 -16.588 -7.505 1.00 0.00 C ATOM 559 OE1 GLU A 38 -5.315 -15.440 -7.025 1.00 0.00 O ATOM 560 OE2 GLU A 38 -4.459 -17.464 -7.022 1.00 0.00 O ATOM 0 H GLU A 38 -8.741 -18.113 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.574 -15.909 -6.713 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.883 -16.481 -9.687 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.052 -15.084 -9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.268 -17.997 -8.717 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.419 -16.763 -9.627 1.00 0.00 H new ATOM 567 N ILE A 39 -10.548 -15.779 -7.827 1.00 0.00 N ATOM 568 CA ILE A 39 -11.750 -14.964 -7.953 1.00 0.00 C ATOM 569 C ILE A 39 -12.108 -14.304 -6.625 1.00 0.00 C ATOM 570 O ILE A 39 -13.098 -13.578 -6.527 1.00 0.00 O ATOM 571 CB ILE A 39 -12.949 -15.800 -8.437 1.00 0.00 C ATOM 572 CG1 ILE A 39 -12.590 -16.551 -9.720 1.00 0.00 C ATOM 573 CG2 ILE A 39 -14.161 -14.908 -8.660 1.00 0.00 C ATOM 574 CD1 ILE A 39 -13.545 -17.677 -10.049 1.00 0.00 C ATOM 0 H ILE A 39 -10.716 -16.785 -7.846 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.533 -14.193 -8.693 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.197 -16.531 -7.668 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.572 -15.846 -10.551 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.583 -16.956 -9.624 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.000 -15.513 -9.002 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.427 -14.415 -7.725 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.926 -14.156 -9.413 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.229 -18.165 -10.971 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -13.545 -18.403 -9.236 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.550 -17.276 -10.177 1.00 0.00 H new ATOM 586 N LEU A 40 -11.295 -14.559 -5.606 1.00 0.00 N ATOM 587 CA LEU A 40 -11.524 -13.989 -4.283 1.00 0.00 C ATOM 588 C LEU A 40 -11.677 -12.473 -4.363 1.00 0.00 C ATOM 589 O LEU A 40 -12.288 -11.854 -3.492 1.00 0.00 O ATOM 590 CB LEU A 40 -10.370 -14.347 -3.345 1.00 0.00 C ATOM 591 CG LEU A 40 -8.962 -14.106 -3.889 1.00 0.00 C ATOM 592 CD1 LEU A 40 -8.677 -12.616 -3.992 1.00 0.00 C ATOM 593 CD2 LEU A 40 -7.925 -14.790 -3.010 1.00 0.00 C ATOM 0 H LEU A 40 -10.471 -15.157 -5.670 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.449 -14.409 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.485 -13.774 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.459 -15.400 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.902 -14.536 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.670 -12.464 -4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.399 -12.153 -4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.757 -12.161 -3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.929 -14.607 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.986 -14.391 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.117 -15.863 -2.989 1.00 0.00 H new ATOM 605 N ASP A 41 -11.119 -11.882 -5.414 1.00 0.00 N ATOM 606 CA ASP A 41 -11.196 -10.439 -5.610 1.00 0.00 C ATOM 607 C ASP A 41 -12.585 -9.916 -5.255 1.00 0.00 C ATOM 608 O ASP A 41 -12.728 -8.814 -4.727 1.00 0.00 O ATOM 609 CB ASP A 41 -10.857 -10.080 -7.057 1.00 0.00 C ATOM 610 CG ASP A 41 -10.468 -8.624 -7.217 1.00 0.00 C ATOM 611 OD1 ASP A 41 -11.322 -7.750 -6.961 1.00 0.00 O ATOM 612 OD2 ASP A 41 -9.309 -8.357 -7.599 1.00 0.00 O ATOM 0 H ASP A 41 -10.608 -12.380 -6.143 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.469 -9.968 -4.948 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.039 -10.712 -7.403 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.716 -10.295 -7.692 1.00 0.00 H new ATOM 617 N GLY A 42 -13.606 -10.715 -5.550 1.00 0.00 N ATOM 618 CA GLY A 42 -14.969 -10.314 -5.256 1.00 0.00 C ATOM 619 C GLY A 42 -15.763 -9.996 -6.508 1.00 0.00 C ATOM 620 O GLY A 42 -15.837 -8.841 -6.927 1.00 0.00 O ATOM 0 H GLY A 42 -13.513 -11.632 -5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.468 -11.111 -4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.955 -9.439 -4.606 1.00 0.00 H new ATOM 624 N ASN A 43 -16.356 -11.023 -7.108 1.00 0.00 N ATOM 625 CA ASN A 43 -17.145 -10.847 -8.322 1.00 0.00 C ATOM 626 C ASN A 43 -17.516 -12.196 -8.930 1.00 0.00 C ATOM 627 O ASN A 43 -16.644 -12.963 -9.339 1.00 0.00 O ATOM 628 CB ASN A 43 -16.371 -10.010 -9.342 1.00 0.00 C ATOM 629 CG ASN A 43 -16.817 -8.560 -9.358 1.00 0.00 C ATOM 630 OD1 ASN A 43 -17.995 -8.263 -9.555 1.00 0.00 O ATOM 631 ND2 ASN A 43 -15.873 -7.649 -9.150 1.00 0.00 N ATOM 0 H ASN A 43 -16.305 -11.985 -6.774 1.00 0.00 H new ATOM 0 HA ASN A 43 -18.063 -10.324 -8.056 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -15.306 -10.057 -9.114 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -16.503 -10.439 -10.335 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -16.112 -6.657 -9.149 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.909 -7.941 -8.991 1.00 0.00 H new ATOM 638 N GLN A 44 -18.813 -12.477 -8.987 1.00 0.00 N ATOM 639 CA GLN A 44 -19.299 -13.733 -9.546 1.00 0.00 C ATOM 640 C GLN A 44 -19.196 -13.728 -11.068 1.00 0.00 C ATOM 641 O GLN A 44 -20.060 -13.185 -11.757 1.00 0.00 O ATOM 642 CB GLN A 44 -20.748 -13.979 -9.122 1.00 0.00 C ATOM 643 CG GLN A 44 -21.098 -15.451 -8.976 1.00 0.00 C ATOM 644 CD GLN A 44 -22.579 -15.678 -8.743 1.00 0.00 C ATOM 645 OE1 GLN A 44 -23.286 -16.179 -9.618 1.00 0.00 O ATOM 646 NE2 GLN A 44 -23.055 -15.311 -7.560 1.00 0.00 N ATOM 0 H GLN A 44 -19.547 -11.852 -8.653 1.00 0.00 H new ATOM 0 HA GLN A 44 -18.674 -14.538 -9.160 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.931 -13.475 -8.173 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.414 -13.527 -9.857 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -20.789 -15.985 -9.875 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.534 -15.874 -8.145 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.432 -14.900 -6.865 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.044 -15.440 -7.346 1.00 0.00 H new ATOM 655 N LEU A 45 -18.134 -14.336 -11.586 1.00 0.00 N ATOM 656 CA LEU A 45 -17.918 -14.401 -13.027 1.00 0.00 C ATOM 657 C LEU A 45 -19.112 -15.041 -13.729 1.00 0.00 C ATOM 658 O LEU A 45 -19.941 -15.694 -13.094 1.00 0.00 O ATOM 659 CB LEU A 45 -16.646 -15.192 -13.336 1.00 0.00 C ATOM 660 CG LEU A 45 -15.394 -14.780 -12.561 1.00 0.00 C ATOM 661 CD1 LEU A 45 -14.180 -15.547 -13.061 1.00 0.00 C ATOM 662 CD2 LEU A 45 -15.164 -13.280 -12.678 1.00 0.00 C ATOM 0 H LEU A 45 -17.410 -14.791 -11.030 1.00 0.00 H new ATOM 0 HA LEU A 45 -17.805 -13.383 -13.399 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.841 -16.246 -13.138 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.436 -15.101 -14.402 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.545 -15.024 -11.509 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -13.299 -15.240 -12.498 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -14.344 -16.616 -12.925 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -14.026 -15.335 -14.119 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -14.269 -13.005 -12.120 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -15.035 -13.012 -13.727 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -16.023 -12.747 -12.271 1.00 0.00 H new ATOM 674 N HIS A 46 -19.192 -14.852 -15.042 1.00 0.00 N ATOM 675 CA HIS A 46 -20.283 -15.413 -15.830 1.00 0.00 C ATOM 676 C HIS A 46 -19.903 -15.489 -17.306 1.00 0.00 C ATOM 677 O HIS A 46 -19.041 -14.745 -17.774 1.00 0.00 O ATOM 678 CB HIS A 46 -21.548 -14.572 -15.660 1.00 0.00 C ATOM 679 CG HIS A 46 -21.497 -13.260 -16.380 1.00 0.00 C ATOM 680 ND1 HIS A 46 -21.393 -13.157 -17.751 1.00 0.00 N ATOM 681 CD2 HIS A 46 -21.538 -11.991 -15.911 1.00 0.00 C ATOM 682 CE1 HIS A 46 -21.370 -11.882 -18.094 1.00 0.00 C ATOM 683 NE2 HIS A 46 -21.458 -11.153 -16.996 1.00 0.00 N ATOM 0 H HIS A 46 -18.514 -14.315 -15.583 1.00 0.00 H new ATOM 0 HA HIS A 46 -20.477 -16.423 -15.470 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -22.404 -15.142 -16.021 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.712 -14.388 -14.598 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -21.342 -13.943 -18.399 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -21.619 -11.693 -14.876 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -21.292 -11.500 -19.101 1.00 0.00 H new ATOM 691 N ILE A 47 -20.552 -16.393 -18.033 1.00 0.00 N ATOM 692 CA ILE A 47 -20.282 -16.565 -19.455 1.00 0.00 C ATOM 693 C ILE A 47 -20.190 -15.218 -20.164 1.00 0.00 C ATOM 694 O ILE A 47 -21.135 -14.430 -20.147 1.00 0.00 O ATOM 695 CB ILE A 47 -21.370 -17.417 -20.135 1.00 0.00 C ATOM 696 CG1 ILE A 47 -21.475 -18.785 -19.457 1.00 0.00 C ATOM 697 CG2 ILE A 47 -21.068 -17.577 -21.618 1.00 0.00 C ATOM 698 CD1 ILE A 47 -20.219 -19.619 -19.582 1.00 0.00 C ATOM 0 H ILE A 47 -21.268 -17.017 -17.661 1.00 0.00 H new ATOM 0 HA ILE A 47 -19.325 -17.081 -19.535 1.00 0.00 H new ATOM 0 HB ILE A 47 -22.328 -16.907 -20.032 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -21.703 -18.642 -18.401 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -22.311 -19.334 -19.891 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -21.846 -18.181 -22.085 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -21.038 -16.596 -22.091 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -20.103 -18.069 -21.742 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -20.365 -20.575 -19.079 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -20.001 -19.793 -20.636 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -19.384 -19.091 -19.122 1.00 0.00 H new ATOM 710 N ALA A 48 -19.046 -14.961 -20.789 1.00 0.00 N ATOM 711 CA ALA A 48 -18.831 -13.712 -21.508 1.00 0.00 C ATOM 712 C ALA A 48 -18.734 -12.534 -20.544 1.00 0.00 C ATOM 713 O ALA A 48 -19.417 -11.523 -20.713 1.00 0.00 O ATOM 714 CB ALA A 48 -19.950 -13.482 -22.513 1.00 0.00 C ATOM 0 H ALA A 48 -18.253 -15.602 -20.812 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.885 -13.789 -22.045 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.776 -12.545 -23.043 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -19.972 -14.305 -23.228 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -20.905 -13.431 -21.989 1.00 0.00 H new ATOM 720 N ASP A 49 -17.882 -12.671 -19.535 1.00 0.00 N ATOM 721 CA ASP A 49 -17.695 -11.617 -18.544 1.00 0.00 C ATOM 722 C ASP A 49 -16.319 -10.975 -18.687 1.00 0.00 C ATOM 723 O ASP A 49 -15.320 -11.664 -18.892 1.00 0.00 O ATOM 724 CB ASP A 49 -17.865 -12.180 -17.132 1.00 0.00 C ATOM 725 CG ASP A 49 -17.112 -11.372 -16.092 1.00 0.00 C ATOM 726 OD1 ASP A 49 -17.156 -10.126 -16.162 1.00 0.00 O ATOM 727 OD2 ASP A 49 -16.479 -11.987 -15.208 1.00 0.00 O ATOM 0 H ASP A 49 -17.310 -13.501 -19.381 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.452 -10.852 -18.715 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -18.924 -12.198 -16.876 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.514 -13.212 -17.111 1.00 0.00 H new ATOM 732 N GLU A 50 -16.275 -9.651 -18.577 1.00 0.00 N ATOM 733 CA GLU A 50 -15.021 -8.916 -18.696 1.00 0.00 C ATOM 734 C GLU A 50 -14.219 -8.995 -17.401 1.00 0.00 C ATOM 735 O GLU A 50 -14.702 -8.617 -16.333 1.00 0.00 O ATOM 736 CB GLU A 50 -15.293 -7.453 -19.052 1.00 0.00 C ATOM 737 CG GLU A 50 -16.062 -7.275 -20.350 1.00 0.00 C ATOM 738 CD GLU A 50 -16.451 -5.831 -20.604 1.00 0.00 C ATOM 739 OE1 GLU A 50 -15.857 -4.936 -19.966 1.00 0.00 O ATOM 740 OE2 GLU A 50 -17.349 -5.596 -21.440 1.00 0.00 O ATOM 0 H GLU A 50 -17.093 -9.066 -18.406 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.436 -9.374 -19.494 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.854 -6.989 -18.241 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.343 -6.923 -19.127 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.455 -7.635 -21.180 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.961 -7.890 -20.323 1.00 0.00 H new ATOM 747 N VAL A 51 -12.989 -9.490 -17.502 1.00 0.00 N ATOM 748 CA VAL A 51 -12.119 -9.620 -16.340 1.00 0.00 C ATOM 749 C VAL A 51 -10.692 -9.198 -16.672 1.00 0.00 C ATOM 750 O VAL A 51 -10.310 -9.134 -17.840 1.00 0.00 O ATOM 751 CB VAL A 51 -12.105 -11.065 -15.807 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.522 -11.550 -15.543 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.389 -11.986 -16.784 1.00 0.00 C ATOM 0 H VAL A 51 -12.573 -9.808 -18.378 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.520 -8.961 -15.570 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.560 -11.081 -14.863 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.492 -12.573 -15.167 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.995 -10.905 -14.803 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -14.095 -11.521 -16.470 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.388 -13.003 -16.392 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.904 -11.968 -17.745 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.361 -11.648 -16.917 1.00 0.00 H new ATOM 763 N GLU A 52 -9.908 -8.913 -15.637 1.00 0.00 N ATOM 764 CA GLU A 52 -8.522 -8.498 -15.820 1.00 0.00 C ATOM 765 C GLU A 52 -7.595 -9.267 -14.883 1.00 0.00 C ATOM 766 O GLU A 52 -7.768 -9.244 -13.664 1.00 0.00 O ATOM 767 CB GLU A 52 -8.381 -6.994 -15.575 1.00 0.00 C ATOM 768 CG GLU A 52 -6.949 -6.495 -15.667 1.00 0.00 C ATOM 769 CD GLU A 52 -6.707 -5.258 -14.824 1.00 0.00 C ATOM 770 OE1 GLU A 52 -7.253 -4.189 -15.170 1.00 0.00 O ATOM 771 OE2 GLU A 52 -5.973 -5.357 -13.819 1.00 0.00 O ATOM 0 H GLU A 52 -10.209 -8.962 -14.664 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.235 -8.720 -16.848 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.991 -6.457 -16.301 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.777 -6.756 -14.588 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.271 -7.286 -15.347 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.712 -6.273 -16.707 1.00 0.00 H new ATOM 778 N PHE A 53 -6.611 -9.947 -15.461 1.00 0.00 N ATOM 779 CA PHE A 53 -5.657 -10.725 -14.679 1.00 0.00 C ATOM 780 C PHE A 53 -4.226 -10.437 -15.124 1.00 0.00 C ATOM 781 O PHE A 53 -3.990 -9.993 -16.248 1.00 0.00 O ATOM 782 CB PHE A 53 -5.954 -12.220 -14.813 1.00 0.00 C ATOM 783 CG PHE A 53 -6.327 -12.634 -16.207 1.00 0.00 C ATOM 784 CD1 PHE A 53 -5.348 -12.941 -17.139 1.00 0.00 C ATOM 785 CD2 PHE A 53 -7.657 -12.716 -16.587 1.00 0.00 C ATOM 786 CE1 PHE A 53 -5.689 -13.323 -18.423 1.00 0.00 C ATOM 787 CE2 PHE A 53 -8.004 -13.098 -17.869 1.00 0.00 C ATOM 788 CZ PHE A 53 -7.018 -13.401 -18.789 1.00 0.00 C ATOM 0 H PHE A 53 -6.453 -9.975 -16.468 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.759 -10.434 -13.634 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.078 -12.786 -14.497 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.766 -12.483 -14.135 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.307 -12.881 -16.859 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.432 -12.479 -15.873 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.916 -13.560 -19.139 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.045 -13.160 -18.152 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.287 -13.698 -19.792 1.00 0.00 H new ATOM 798 N THR A 54 -3.273 -10.693 -14.234 1.00 0.00 N ATOM 799 CA THR A 54 -1.865 -10.460 -14.533 1.00 0.00 C ATOM 800 C THR A 54 -1.232 -11.684 -15.184 1.00 0.00 C ATOM 801 O THR A 54 -1.395 -12.808 -14.707 1.00 0.00 O ATOM 802 CB THR A 54 -1.073 -10.101 -13.261 1.00 0.00 C ATOM 803 OG1 THR A 54 -1.740 -9.055 -12.547 1.00 0.00 O ATOM 804 CG2 THR A 54 0.341 -9.662 -13.611 1.00 0.00 C ATOM 0 H THR A 54 -3.450 -11.062 -13.300 1.00 0.00 H new ATOM 0 HA THR A 54 -1.823 -9.621 -15.227 1.00 0.00 H new ATOM 0 HB THR A 54 -1.016 -10.989 -12.632 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.231 -8.834 -11.739 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.881 -9.414 -12.698 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.856 -10.472 -14.128 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.300 -8.786 -14.258 1.00 0.00 H new ATOM 968 N ASN A 65 1.992 -19.514 -18.102 1.00 0.00 N ATOM 969 CA ASN A 65 1.609 -18.435 -17.198 1.00 0.00 C ATOM 970 C ASN A 65 0.381 -18.822 -16.379 1.00 0.00 C ATOM 971 O ASN A 65 -0.133 -19.934 -16.499 1.00 0.00 O ATOM 972 CB ASN A 65 1.327 -17.156 -17.989 1.00 0.00 C ATOM 973 CG ASN A 65 2.354 -16.911 -19.077 1.00 0.00 C ATOM 974 OD1 ASN A 65 3.404 -16.316 -18.833 1.00 0.00 O ATOM 975 ND2 ASN A 65 2.055 -17.369 -20.287 1.00 0.00 N ATOM 0 HA ASN A 65 2.438 -18.255 -16.513 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.335 -17.220 -18.437 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.314 -16.306 -17.307 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.707 -17.233 -21.059 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.173 -17.857 -20.444 1.00 0.00 H new ATOM 982 N HIS A 66 -0.084 -17.895 -15.548 1.00 0.00 N ATOM 983 CA HIS A 66 -1.253 -18.138 -14.709 1.00 0.00 C ATOM 984 C HIS A 66 -1.941 -16.826 -14.343 1.00 0.00 C ATOM 985 O HIS A 66 -1.289 -15.793 -14.196 1.00 0.00 O ATOM 986 CB HIS A 66 -0.849 -18.887 -13.439 1.00 0.00 C ATOM 987 CG HIS A 66 -0.140 -18.029 -12.437 1.00 0.00 C ATOM 988 ND1 HIS A 66 0.604 -16.910 -12.599 1.00 0.00 N flip ATOM 989 CD2 HIS A 66 -0.149 -18.289 -11.083 1.00 0.00 C flip ATOM 990 CE1 HIS A 66 1.025 -16.517 -11.352 1.00 0.00 C flip ATOM 991 NE2 HIS A 66 0.557 -17.366 -10.455 1.00 0.00 N flip ATOM 0 H HIS A 66 0.330 -16.969 -15.437 1.00 0.00 H new ATOM 0 HA HIS A 66 -1.955 -18.751 -15.275 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.741 -19.309 -12.977 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -0.204 -19.723 -13.710 1.00 0.00 H new ATOM 0 HD1 HIS A 66 0.813 -16.445 -13.483 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.654 -19.118 -10.610 1.00 0.00 H new ATOM 0 HE1 HIS A 66 1.639 -15.654 -11.140 1.00 0.00 H new ATOM 999 N ALA A 67 -3.261 -16.876 -14.198 1.00 0.00 N ATOM 1000 CA ALA A 67 -4.036 -15.693 -13.848 1.00 0.00 C ATOM 1001 C ALA A 67 -4.216 -15.581 -12.338 1.00 0.00 C ATOM 1002 O ALA A 67 -4.770 -16.478 -11.702 1.00 0.00 O ATOM 1003 CB ALA A 67 -5.390 -15.725 -14.542 1.00 0.00 C ATOM 0 H ALA A 67 -3.816 -17.724 -14.318 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.486 -14.815 -14.188 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.959 -14.835 -14.272 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.245 -15.749 -15.622 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.938 -16.614 -14.230 1.00 0.00 H new ATOM 1009 N ILE A 68 -3.745 -14.476 -11.771 1.00 0.00 N ATOM 1010 CA ILE A 68 -3.854 -14.248 -10.336 1.00 0.00 C ATOM 1011 C ILE A 68 -4.814 -13.102 -10.033 1.00 0.00 C ATOM 1012 O ILE A 68 -5.053 -12.239 -10.878 1.00 0.00 O ATOM 1013 CB ILE A 68 -2.483 -13.934 -9.709 1.00 0.00 C ATOM 1014 CG1 ILE A 68 -1.841 -12.734 -10.408 1.00 0.00 C ATOM 1015 CG2 ILE A 68 -1.573 -15.150 -9.790 1.00 0.00 C ATOM 1016 CD1 ILE A 68 -1.001 -11.876 -9.488 1.00 0.00 C ATOM 0 H ILE A 68 -3.284 -13.724 -12.284 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.241 -15.169 -9.899 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.629 -13.683 -8.658 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.217 -13.092 -11.227 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.625 -12.119 -10.850 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.608 -14.913 -9.343 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.028 -15.981 -9.251 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.430 -15.429 -10.834 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.578 -11.045 -10.052 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.624 -11.488 -8.682 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.195 -12.476 -9.066 1.00 0.00 H new ATOM 1028 N ARG A 69 -5.359 -13.098 -8.821 1.00 0.00 N ATOM 1029 CA ARG A 69 -6.291 -12.058 -8.405 1.00 0.00 C ATOM 1030 C ARG A 69 -7.219 -11.669 -9.553 1.00 0.00 C ATOM 1031 O ARG A 69 -7.020 -10.644 -10.205 1.00 0.00 O ATOM 1032 CB ARG A 69 -5.529 -10.826 -7.913 1.00 0.00 C ATOM 1033 CG ARG A 69 -4.625 -11.105 -6.723 1.00 0.00 C ATOM 1034 CD ARG A 69 -5.196 -10.520 -5.441 1.00 0.00 C ATOM 1035 NE ARG A 69 -4.146 -10.109 -4.512 1.00 0.00 N ATOM 1036 CZ ARG A 69 -4.378 -9.746 -3.256 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -5.615 -9.744 -2.780 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -3.370 -9.385 -2.472 1.00 0.00 N ATOM 0 H ARG A 69 -5.171 -13.804 -8.110 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.895 -12.453 -7.588 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.927 -10.431 -8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.245 -10.051 -7.641 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.496 -12.181 -6.607 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.637 -10.683 -6.908 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.823 -9.662 -5.682 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.837 -11.258 -4.960 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.182 -10.100 -4.846 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.392 -10.022 -3.379 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.790 -9.465 -1.815 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.416 -9.386 -2.834 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.549 -9.106 -1.507 1.00 0.00 H new ATOM 1052 N ILE A 70 -8.231 -12.496 -9.794 1.00 0.00 N ATOM 1053 CA ILE A 70 -9.189 -12.239 -10.863 1.00 0.00 C ATOM 1054 C ILE A 70 -10.203 -11.178 -10.448 1.00 0.00 C ATOM 1055 O ILE A 70 -10.882 -11.316 -9.430 1.00 0.00 O ATOM 1056 CB ILE A 70 -9.940 -13.521 -11.266 1.00 0.00 C ATOM 1057 CG1 ILE A 70 -8.972 -14.531 -11.886 1.00 0.00 C ATOM 1058 CG2 ILE A 70 -11.065 -13.193 -12.236 1.00 0.00 C ATOM 1059 CD1 ILE A 70 -9.554 -15.921 -12.021 1.00 0.00 C ATOM 0 H ILE A 70 -8.409 -13.349 -9.264 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.618 -11.878 -11.719 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.376 -13.966 -10.372 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.670 -14.175 -12.871 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.071 -14.581 -11.275 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.587 -14.110 -12.512 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.765 -12.506 -11.762 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.650 -12.729 -13.131 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.813 -16.584 -12.468 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.830 -16.297 -11.036 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.439 -15.885 -12.657 1.00 0.00 H new ATOM 1071 N LYS A 71 -10.302 -10.119 -11.244 1.00 0.00 N ATOM 1072 CA LYS A 71 -11.236 -9.035 -10.963 1.00 0.00 C ATOM 1073 C LYS A 71 -12.175 -8.806 -12.143 1.00 0.00 C ATOM 1074 O LYS A 71 -11.816 -9.058 -13.294 1.00 0.00 O ATOM 1075 CB LYS A 71 -10.473 -7.746 -10.647 1.00 0.00 C ATOM 1076 CG LYS A 71 -11.245 -6.784 -9.761 1.00 0.00 C ATOM 1077 CD LYS A 71 -11.344 -5.404 -10.389 1.00 0.00 C ATOM 1078 CE LYS A 71 -9.994 -4.704 -10.411 1.00 0.00 C ATOM 1079 NZ LYS A 71 -10.044 -3.426 -11.173 1.00 0.00 N ATOM 0 H LYS A 71 -9.747 -9.988 -12.089 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.833 -9.319 -10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.532 -8.001 -10.159 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.222 -7.244 -11.581 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.246 -7.176 -9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.755 -6.709 -8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.726 -5.492 -11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.059 -4.800 -9.831 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.672 -4.505 -9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.250 -5.364 -10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.105 -2.980 -11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.327 -3.618 -12.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.735 -2.786 -10.732 1.00 0.00 H new ATOM 1093 N LYS A 72 -13.379 -8.325 -11.851 1.00 0.00 N ATOM 1094 CA LYS A 72 -14.369 -8.058 -12.888 1.00 0.00 C ATOM 1095 C LYS A 72 -14.294 -6.607 -13.351 1.00 0.00 C ATOM 1096 O LYS A 72 -14.346 -5.682 -12.540 1.00 0.00 O ATOM 1097 CB LYS A 72 -15.775 -8.368 -12.370 1.00 0.00 C ATOM 1098 CG LYS A 72 -16.642 -9.111 -13.372 1.00 0.00 C ATOM 1099 CD LYS A 72 -17.913 -9.637 -12.727 1.00 0.00 C ATOM 1100 CE LYS A 72 -19.089 -9.588 -13.691 1.00 0.00 C ATOM 1101 NZ LYS A 72 -19.933 -8.381 -13.474 1.00 0.00 N ATOM 0 H LYS A 72 -13.693 -8.112 -10.904 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.151 -8.703 -13.739 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.695 -8.963 -11.460 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.267 -7.434 -12.098 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.900 -8.445 -14.196 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.078 -9.941 -13.797 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.756 -10.663 -12.395 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -18.143 -9.047 -11.840 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.719 -9.593 -14.716 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.698 -10.484 -13.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.723 -8.384 -14.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -20.307 -8.389 -12.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.359 -7.526 -13.617 1.00 0.00 H new ATOM 1115 N LEU A 73 -14.174 -6.414 -14.660 1.00 0.00 N ATOM 1116 CA LEU A 73 -14.094 -5.074 -15.232 1.00 0.00 C ATOM 1117 C LEU A 73 -15.487 -4.491 -15.449 1.00 0.00 C ATOM 1118 O LEU A 73 -16.434 -5.196 -15.801 1.00 0.00 O ATOM 1119 CB LEU A 73 -13.331 -5.109 -16.557 1.00 0.00 C ATOM 1120 CG LEU A 73 -11.894 -5.628 -16.491 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -11.490 -6.253 -17.817 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -10.938 -4.506 -16.114 1.00 0.00 C ATOM 0 H LEU A 73 -14.130 -7.168 -15.345 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.559 -4.436 -14.529 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.889 -5.730 -17.258 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.313 -4.100 -16.970 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.841 -6.397 -15.720 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.465 -6.616 -17.750 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.156 -7.085 -18.045 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.560 -5.506 -18.608 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.920 -4.894 -16.072 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.994 -3.714 -16.861 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.214 -4.105 -15.139 1.00 0.00 H new ATOM 1134 N PRO A 74 -15.616 -3.173 -15.239 1.00 0.00 N ATOM 1135 CA PRO A 74 -16.889 -2.465 -15.408 1.00 0.00 C ATOM 1136 C PRO A 74 -17.309 -2.372 -16.871 1.00 0.00 C ATOM 1137 O PRO A 74 -16.477 -2.454 -17.774 1.00 0.00 O ATOM 1138 CB PRO A 74 -16.597 -1.072 -14.846 1.00 0.00 C ATOM 1139 CG PRO A 74 -15.125 -0.902 -14.997 1.00 0.00 C ATOM 1140 CD PRO A 74 -14.530 -2.272 -14.819 1.00 0.00 C ATOM 0 HA PRO A 74 -17.711 -2.977 -14.908 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -17.142 -0.303 -15.393 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -16.899 -0.995 -13.801 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.878 -0.493 -15.977 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.734 -0.207 -14.254 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.638 -2.405 -15.431 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.237 -2.451 -13.785 1.00 0.00 H new ATOM 1148 N LYS A 75 -18.607 -2.199 -17.099 1.00 0.00 N ATOM 1149 CA LYS A 75 -19.139 -2.093 -18.452 1.00 0.00 C ATOM 1150 C LYS A 75 -18.489 -0.935 -19.203 1.00 0.00 C ATOM 1151 O LYS A 75 -18.270 0.137 -18.641 1.00 0.00 O ATOM 1152 CB LYS A 75 -20.657 -1.900 -18.411 1.00 0.00 C ATOM 1153 CG LYS A 75 -21.437 -3.100 -18.920 1.00 0.00 C ATOM 1154 CD LYS A 75 -21.700 -4.105 -17.811 1.00 0.00 C ATOM 1155 CE LYS A 75 -23.026 -4.822 -18.012 1.00 0.00 C ATOM 1156 NZ LYS A 75 -23.213 -5.928 -17.033 1.00 0.00 N ATOM 0 H LYS A 75 -19.310 -2.129 -16.363 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.910 -3.019 -18.979 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -20.960 -1.689 -17.386 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -20.920 -1.027 -19.008 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -22.385 -2.766 -19.342 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.881 -3.582 -19.725 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -20.891 -4.835 -17.781 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -21.704 -3.594 -16.848 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -23.843 -4.108 -17.913 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -23.073 -5.222 -19.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -24.128 -6.391 -17.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -22.447 -6.623 -17.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -23.194 -5.543 -16.067 1.00 0.00 H new ATOM 1170 N GLY A 76 -18.184 -1.159 -20.477 1.00 0.00 N ATOM 1171 CA GLY A 76 -17.563 -0.125 -21.284 1.00 0.00 C ATOM 1172 C GLY A 76 -16.052 -0.126 -21.166 1.00 0.00 C ATOM 1173 O GLY A 76 -15.454 0.862 -20.737 1.00 0.00 O ATOM 0 H GLY A 76 -18.356 -2.038 -20.965 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.843 -0.266 -22.328 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.947 0.849 -20.980 1.00 0.00 H new ATOM 1177 N THR A 77 -15.431 -1.238 -21.544 1.00 0.00 N ATOM 1178 CA THR A 77 -13.980 -1.365 -21.475 1.00 0.00 C ATOM 1179 C THR A 77 -13.459 -2.305 -22.556 1.00 0.00 C ATOM 1180 O THR A 77 -12.631 -1.920 -23.381 1.00 0.00 O ATOM 1181 CB THR A 77 -13.526 -1.882 -20.097 1.00 0.00 C ATOM 1182 OG1 THR A 77 -13.942 -0.973 -19.072 1.00 0.00 O ATOM 1183 CG2 THR A 77 -12.015 -2.049 -20.053 1.00 0.00 C ATOM 0 H THR A 77 -15.910 -2.065 -21.901 1.00 0.00 H new ATOM 0 HA THR A 77 -13.567 -0.369 -21.634 1.00 0.00 H new ATOM 0 HB THR A 77 -13.987 -2.855 -19.928 1.00 0.00 H new ATOM 0 HG1 THR A 77 -14.705 -1.353 -18.588 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.718 -2.415 -19.070 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.706 -2.764 -20.815 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.537 -1.088 -20.242 1.00 0.00 H new ATOM 1191 N VAL A 78 -13.948 -3.541 -22.545 1.00 0.00 N ATOM 1192 CA VAL A 78 -13.533 -4.537 -23.525 1.00 0.00 C ATOM 1193 C VAL A 78 -14.589 -4.714 -24.610 1.00 0.00 C ATOM 1194 O VAL A 78 -15.776 -4.485 -24.379 1.00 0.00 O ATOM 1195 CB VAL A 78 -13.261 -5.900 -22.861 1.00 0.00 C ATOM 1196 CG1 VAL A 78 -12.128 -6.624 -23.572 1.00 0.00 C ATOM 1197 CG2 VAL A 78 -12.946 -5.718 -21.384 1.00 0.00 C ATOM 0 H VAL A 78 -14.633 -3.876 -21.867 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.611 -4.171 -23.976 1.00 0.00 H new ATOM 0 HB VAL A 78 -14.159 -6.512 -22.945 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.950 -7.585 -23.089 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.398 -6.787 -24.615 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.222 -6.020 -23.522 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.756 -6.691 -20.930 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.063 -5.088 -21.275 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.793 -5.244 -20.887 1.00 0.00 H new