USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 493 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 164:sc= -0.402 (180deg=-0.838) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -55:sc= 0.0824 USER MOD Single : A 32 MET CE :methyl -153:sc= -0.0094 (180deg=-0.779) USER MOD Single : A 35 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.56) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.48! C(o=-2.5!,f=-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 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -169:sc= -0.0144 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.603 F(o=-1.2,f=-0.6) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= -2.16! (180deg=-2.41!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 98:sc= 0.624 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -1.614 -5.879 -17.572 1.00 0.00 N ATOM 67 CA ARG A 8 -2.898 -6.509 -17.285 1.00 0.00 C ATOM 68 C ARG A 8 -3.754 -6.595 -18.546 1.00 0.00 C ATOM 69 O ARG A 8 -4.161 -5.575 -19.101 1.00 0.00 O ATOM 70 CB ARG A 8 -3.643 -5.727 -16.202 1.00 0.00 C ATOM 71 CG ARG A 8 -2.748 -5.254 -15.068 1.00 0.00 C ATOM 72 CD ARG A 8 -3.564 -4.782 -13.875 1.00 0.00 C ATOM 73 NE ARG A 8 -3.543 -5.749 -12.780 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.355 -5.690 -11.731 1.00 0.00 C ATOM 75 NH1 ARG A 8 -5.248 -4.714 -11.634 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.275 -6.607 -10.776 1.00 0.00 N ATOM 0 HA ARG A 8 -2.707 -7.520 -16.926 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.126 -4.862 -16.657 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.434 -6.355 -15.792 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.088 -6.065 -14.761 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.112 -4.442 -15.420 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.173 -3.827 -13.523 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.594 -4.609 -14.186 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.867 -6.512 -12.824 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.312 -4.007 -12.366 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.871 -4.671 -10.827 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.589 -7.359 -10.847 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.899 -6.561 -9.971 1.00 0.00 H new ATOM 90 N GLU A 9 -4.023 -7.819 -18.990 1.00 0.00 N ATOM 91 CA GLU A 9 -4.829 -8.037 -20.185 1.00 0.00 C ATOM 92 C GLU A 9 -6.237 -8.493 -19.815 1.00 0.00 C ATOM 93 O GLU A 9 -6.437 -9.167 -18.804 1.00 0.00 O ATOM 94 CB GLU A 9 -4.166 -9.076 -21.092 1.00 0.00 C ATOM 95 CG GLU A 9 -2.808 -8.645 -21.619 1.00 0.00 C ATOM 96 CD GLU A 9 -2.849 -8.248 -23.082 1.00 0.00 C ATOM 97 OE1 GLU A 9 -3.456 -8.991 -23.881 1.00 0.00 O ATOM 98 OE2 GLU A 9 -2.274 -7.195 -23.428 1.00 0.00 O ATOM 0 H GLU A 9 -3.695 -8.674 -18.540 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.901 -7.091 -20.721 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.053 -10.009 -20.540 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.825 -9.283 -21.935 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.443 -7.805 -21.028 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.096 -9.460 -21.487 1.00 0.00 H new ATOM 105 N MET A 10 -7.210 -8.121 -20.641 1.00 0.00 N ATOM 106 CA MET A 10 -8.600 -8.493 -20.401 1.00 0.00 C ATOM 107 C MET A 10 -9.032 -9.615 -21.340 1.00 0.00 C ATOM 108 O MET A 10 -8.504 -9.753 -22.442 1.00 0.00 O ATOM 109 CB MET A 10 -9.513 -7.279 -20.584 1.00 0.00 C ATOM 110 CG MET A 10 -9.282 -6.185 -19.555 1.00 0.00 C ATOM 111 SD MET A 10 -7.931 -5.080 -20.007 1.00 0.00 S ATOM 112 CE MET A 10 -8.772 -3.499 -20.009 1.00 0.00 C ATOM 0 H MET A 10 -7.062 -7.563 -21.482 1.00 0.00 H new ATOM 0 HA MET A 10 -8.683 -8.850 -19.375 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.360 -6.867 -21.581 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.552 -7.604 -20.529 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.197 -5.604 -19.436 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.066 -6.640 -18.589 1.00 0.00 H new ATOM 0 HE1 MET A 10 -8.066 -2.711 -20.272 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.582 -3.518 -20.739 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.182 -3.303 -19.018 1.00 0.00 H new ATOM 122 N GLY A 11 -9.996 -10.415 -20.894 1.00 0.00 N ATOM 123 CA GLY A 11 -10.482 -11.515 -21.706 1.00 0.00 C ATOM 124 C GLY A 11 -11.898 -11.920 -21.347 1.00 0.00 C ATOM 125 O GLY A 11 -12.357 -11.676 -20.231 1.00 0.00 O ATOM 0 H GLY A 11 -10.449 -10.321 -19.985 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.444 -11.230 -22.758 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.820 -12.373 -21.584 1.00 0.00 H new ATOM 129 N VAL A 12 -12.593 -12.539 -22.295 1.00 0.00 N ATOM 130 CA VAL A 12 -13.966 -12.978 -22.073 1.00 0.00 C ATOM 131 C VAL A 12 -14.017 -14.456 -21.702 1.00 0.00 C ATOM 132 O VAL A 12 -13.299 -15.276 -22.276 1.00 0.00 O ATOM 133 CB VAL A 12 -14.839 -12.743 -23.320 1.00 0.00 C ATOM 134 CG1 VAL A 12 -15.292 -11.292 -23.389 1.00 0.00 C ATOM 135 CG2 VAL A 12 -14.084 -13.135 -24.581 1.00 0.00 C ATOM 0 H VAL A 12 -12.228 -12.748 -23.224 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.358 -12.385 -21.247 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.726 -13.372 -23.245 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.908 -11.145 -24.276 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.874 -11.050 -22.500 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.420 -10.641 -23.440 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.716 -12.962 -25.452 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.179 -12.534 -24.665 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.815 -14.190 -24.531 1.00 0.00 H new ATOM 145 N ILE A 13 -14.870 -14.790 -20.740 1.00 0.00 N ATOM 146 CA ILE A 13 -15.016 -16.170 -20.293 1.00 0.00 C ATOM 147 C ILE A 13 -15.617 -17.042 -21.390 1.00 0.00 C ATOM 148 O ILE A 13 -16.609 -16.671 -22.018 1.00 0.00 O ATOM 149 CB ILE A 13 -15.899 -16.264 -19.035 1.00 0.00 C ATOM 150 CG1 ILE A 13 -15.375 -15.326 -17.946 1.00 0.00 C ATOM 151 CG2 ILE A 13 -15.948 -17.698 -18.529 1.00 0.00 C ATOM 152 CD1 ILE A 13 -13.887 -15.452 -17.705 1.00 0.00 C ATOM 0 H ILE A 13 -15.471 -14.124 -20.255 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.016 -16.531 -20.052 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.912 -15.957 -19.296 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -15.604 -14.297 -18.223 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.904 -15.531 -17.015 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.576 -17.749 -17.639 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.363 -18.343 -19.303 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.940 -18.031 -18.281 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.585 -14.758 -16.921 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -13.653 -16.471 -17.397 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.349 -15.218 -18.623 1.00 0.00 H new ATOM 164 N ALA A 14 -15.012 -18.203 -21.614 1.00 0.00 N ATOM 165 CA ALA A 14 -15.490 -19.130 -22.632 1.00 0.00 C ATOM 166 C ALA A 14 -16.162 -20.343 -21.998 1.00 0.00 C ATOM 167 O ALA A 14 -16.950 -21.035 -22.642 1.00 0.00 O ATOM 168 CB ALA A 14 -14.341 -19.570 -23.527 1.00 0.00 C ATOM 0 H ALA A 14 -14.189 -18.524 -21.104 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.232 -18.612 -23.240 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.713 -20.262 -24.283 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.906 -18.698 -24.016 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.580 -20.065 -22.925 1.00 0.00 H new ATOM 174 N ALA A 15 -15.846 -20.595 -20.732 1.00 0.00 N ATOM 175 CA ALA A 15 -16.421 -21.723 -20.011 1.00 0.00 C ATOM 176 C ALA A 15 -16.446 -21.460 -18.509 1.00 0.00 C ATOM 177 O ALA A 15 -15.836 -20.506 -18.027 1.00 0.00 O ATOM 178 CB ALA A 15 -15.642 -22.995 -20.312 1.00 0.00 C ATOM 0 H ALA A 15 -15.195 -20.033 -20.185 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.449 -21.851 -20.349 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.083 -23.829 -19.766 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.680 -23.200 -21.382 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.604 -22.868 -20.004 1.00 0.00 H new ATOM 184 N MET A 16 -17.156 -22.311 -17.775 1.00 0.00 N ATOM 185 CA MET A 16 -17.260 -22.169 -16.328 1.00 0.00 C ATOM 186 C MET A 16 -17.680 -23.485 -15.681 1.00 0.00 C ATOM 187 O MET A 16 -18.540 -23.508 -14.800 1.00 0.00 O ATOM 188 CB MET A 16 -18.262 -21.070 -15.972 1.00 0.00 C ATOM 189 CG MET A 16 -17.789 -19.673 -16.342 1.00 0.00 C ATOM 190 SD MET A 16 -18.666 -18.381 -15.441 1.00 0.00 S ATOM 191 CE MET A 16 -18.109 -18.697 -13.768 1.00 0.00 C ATOM 0 H MET A 16 -17.667 -23.106 -18.159 1.00 0.00 H new ATOM 0 HA MET A 16 -16.278 -21.893 -15.944 1.00 0.00 H new ATOM 0 HB2 MET A 16 -19.205 -21.272 -16.479 1.00 0.00 H new ATOM 0 HB3 MET A 16 -18.462 -21.105 -14.901 1.00 0.00 H new ATOM 0 HG2 MET A 16 -16.721 -19.590 -16.140 1.00 0.00 H new ATOM 0 HG3 MET A 16 -17.924 -19.520 -17.413 1.00 0.00 H new ATOM 0 HE1 MET A 16 -18.326 -17.831 -13.143 1.00 0.00 H new ATOM 0 HE2 MET A 16 -18.627 -19.570 -13.371 1.00 0.00 H new ATOM 0 HE3 MET A 16 -17.035 -18.882 -13.771 1.00 0.00 H new ATOM 201 N ARG A 17 -17.069 -24.579 -16.125 1.00 0.00 N ATOM 202 CA ARG A 17 -17.382 -25.899 -15.590 1.00 0.00 C ATOM 203 C ARG A 17 -17.193 -25.931 -14.077 1.00 0.00 C ATOM 204 O ARG A 17 -16.567 -25.041 -13.500 1.00 0.00 O ATOM 205 CB ARG A 17 -16.500 -26.961 -16.248 1.00 0.00 C ATOM 206 CG ARG A 17 -17.071 -27.509 -17.546 1.00 0.00 C ATOM 207 CD ARG A 17 -17.030 -26.470 -18.655 1.00 0.00 C ATOM 208 NE ARG A 17 -18.126 -25.511 -18.547 1.00 0.00 N ATOM 209 CZ ARG A 17 -18.519 -24.728 -19.546 1.00 0.00 C ATOM 210 NH1 ARG A 17 -17.908 -24.791 -20.721 1.00 0.00 N ATOM 211 NH2 ARG A 17 -19.524 -23.880 -19.370 1.00 0.00 N ATOM 0 H ARG A 17 -16.355 -24.577 -16.853 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.427 -26.116 -15.813 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.517 -26.533 -16.445 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.355 -27.784 -15.549 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.506 -28.390 -17.850 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.100 -27.831 -17.385 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.079 -25.939 -18.619 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.080 -26.970 -19.622 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.617 -25.438 -17.656 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.135 -25.441 -20.859 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.211 -24.189 -21.486 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.996 -23.829 -18.467 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.825 -23.279 -20.138 1.00 0.00 H new ATOM 225 N ASP A 18 -17.738 -26.962 -13.440 1.00 0.00 N ATOM 226 CA ASP A 18 -17.629 -27.111 -11.993 1.00 0.00 C ATOM 227 C ASP A 18 -16.203 -27.474 -11.590 1.00 0.00 C ATOM 228 O ASP A 18 -15.853 -28.650 -11.503 1.00 0.00 O ATOM 229 CB ASP A 18 -18.602 -28.180 -11.494 1.00 0.00 C ATOM 230 CG ASP A 18 -19.693 -27.604 -10.613 1.00 0.00 C ATOM 231 OD1 ASP A 18 -19.359 -27.008 -9.568 1.00 0.00 O ATOM 232 OD2 ASP A 18 -20.882 -27.751 -10.969 1.00 0.00 O ATOM 0 H ASP A 18 -18.259 -27.707 -13.903 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.885 -26.156 -11.534 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -19.056 -28.681 -12.349 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -18.051 -28.937 -10.936 1.00 0.00 H new ATOM 237 N GLY A 19 -15.384 -26.456 -11.346 1.00 0.00 N ATOM 238 CA GLY A 19 -14.006 -26.689 -10.957 1.00 0.00 C ATOM 239 C GLY A 19 -13.045 -25.719 -11.615 1.00 0.00 C ATOM 240 O GLY A 19 -12.078 -25.275 -10.996 1.00 0.00 O ATOM 0 H GLY A 19 -15.651 -25.474 -11.411 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.918 -26.604 -9.874 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.725 -27.709 -11.220 1.00 0.00 H new ATOM 244 N PHE A 20 -13.310 -25.390 -12.875 1.00 0.00 N ATOM 245 CA PHE A 20 -12.459 -24.469 -13.620 1.00 0.00 C ATOM 246 C PHE A 20 -13.225 -23.838 -14.779 1.00 0.00 C ATOM 247 O PHE A 20 -14.451 -23.926 -14.849 1.00 0.00 O ATOM 248 CB PHE A 20 -11.222 -25.197 -14.148 1.00 0.00 C ATOM 249 CG PHE A 20 -11.537 -26.246 -15.176 1.00 0.00 C ATOM 250 CD1 PHE A 20 -12.018 -27.488 -14.793 1.00 0.00 C ATOM 251 CD2 PHE A 20 -11.351 -25.991 -16.525 1.00 0.00 C ATOM 252 CE1 PHE A 20 -12.308 -28.455 -15.737 1.00 0.00 C ATOM 253 CE2 PHE A 20 -11.640 -26.954 -17.474 1.00 0.00 C ATOM 254 CZ PHE A 20 -12.120 -28.187 -17.079 1.00 0.00 C ATOM 0 H PHE A 20 -14.107 -25.747 -13.402 1.00 0.00 H new ATOM 0 HA PHE A 20 -12.143 -23.677 -12.942 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -10.539 -24.467 -14.583 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.701 -25.664 -13.312 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -12.168 -27.703 -13.745 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.976 -25.028 -16.839 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -12.681 -29.419 -15.426 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -11.491 -26.742 -18.522 1.00 0.00 H new ATOM 0 HZ PHE A 20 -12.348 -28.941 -17.818 1.00 0.00 H new ATOM 264 N GLY A 21 -12.493 -23.200 -15.687 1.00 0.00 N ATOM 265 CA GLY A 21 -13.120 -22.563 -16.831 1.00 0.00 C ATOM 266 C GLY A 21 -12.112 -22.134 -17.879 1.00 0.00 C ATOM 267 O GLY A 21 -10.972 -22.599 -17.882 1.00 0.00 O ATOM 0 H GLY A 21 -11.477 -23.113 -15.651 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.836 -23.252 -17.280 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.683 -21.692 -16.495 1.00 0.00 H new ATOM 271 N PHE A 22 -12.533 -21.246 -18.774 1.00 0.00 N ATOM 272 CA PHE A 22 -11.660 -20.756 -19.834 1.00 0.00 C ATOM 273 C PHE A 22 -11.863 -19.260 -20.058 1.00 0.00 C ATOM 274 O PHE A 22 -12.924 -18.714 -19.753 1.00 0.00 O ATOM 275 CB PHE A 22 -11.925 -21.518 -21.134 1.00 0.00 C ATOM 276 CG PHE A 22 -11.363 -22.911 -21.137 1.00 0.00 C ATOM 277 CD1 PHE A 22 -10.068 -23.151 -20.710 1.00 0.00 C ATOM 278 CD2 PHE A 22 -12.131 -23.981 -21.569 1.00 0.00 C ATOM 279 CE1 PHE A 22 -9.548 -24.431 -20.711 1.00 0.00 C ATOM 280 CE2 PHE A 22 -11.617 -25.263 -21.572 1.00 0.00 C ATOM 281 CZ PHE A 22 -10.323 -25.489 -21.144 1.00 0.00 C ATOM 0 H PHE A 22 -13.473 -20.851 -18.786 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.628 -20.923 -19.527 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -13.001 -21.568 -21.304 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.497 -20.960 -21.967 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -9.457 -22.327 -20.372 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -13.142 -23.810 -21.907 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.537 -24.604 -20.374 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -12.226 -26.089 -21.909 1.00 0.00 H new ATOM 0 HZ PHE A 22 -9.919 -26.490 -21.148 1.00 0.00 H new ATOM 291 N ILE A 23 -10.839 -18.604 -20.592 1.00 0.00 N ATOM 292 CA ILE A 23 -10.904 -17.172 -20.857 1.00 0.00 C ATOM 293 C ILE A 23 -10.221 -16.825 -22.176 1.00 0.00 C ATOM 294 O ILE A 23 -9.000 -16.924 -22.301 1.00 0.00 O ATOM 295 CB ILE A 23 -10.250 -16.359 -19.724 1.00 0.00 C ATOM 296 CG1 ILE A 23 -10.622 -16.950 -18.362 1.00 0.00 C ATOM 297 CG2 ILE A 23 -10.671 -14.900 -19.807 1.00 0.00 C ATOM 298 CD1 ILE A 23 -9.858 -16.337 -17.209 1.00 0.00 C ATOM 0 H ILE A 23 -9.954 -19.041 -20.850 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.960 -16.910 -20.918 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.167 -16.411 -19.838 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.690 -16.811 -18.194 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.439 -18.024 -18.379 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.200 -14.339 -19.000 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.360 -14.486 -20.766 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.755 -14.828 -19.715 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.172 -16.803 -16.275 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.790 -16.498 -17.354 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.061 -15.267 -17.166 1.00 0.00 H new ATOM 310 N LYS A 24 -11.017 -16.416 -23.158 1.00 0.00 N ATOM 311 CA LYS A 24 -10.491 -16.051 -24.468 1.00 0.00 C ATOM 312 C LYS A 24 -10.116 -14.573 -24.511 1.00 0.00 C ATOM 313 O LYS A 24 -10.980 -13.708 -24.661 1.00 0.00 O ATOM 314 CB LYS A 24 -11.520 -16.359 -25.557 1.00 0.00 C ATOM 315 CG LYS A 24 -11.040 -16.026 -26.959 1.00 0.00 C ATOM 316 CD LYS A 24 -11.578 -17.012 -27.982 1.00 0.00 C ATOM 317 CE LYS A 24 -12.977 -16.630 -28.442 1.00 0.00 C ATOM 318 NZ LYS A 24 -13.869 -17.818 -28.549 1.00 0.00 N ATOM 0 H LYS A 24 -12.030 -16.329 -23.071 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.592 -16.641 -24.649 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.778 -17.417 -25.512 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.432 -15.799 -25.352 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.357 -15.017 -27.223 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.950 -16.034 -26.983 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.908 -17.048 -28.841 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.596 -18.013 -27.550 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.407 -15.915 -27.741 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.918 -16.132 -29.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.813 -17.516 -28.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.472 -18.489 -29.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.946 -18.279 -27.620 1.00 0.00 H new ATOM 332 N CYS A 25 -8.825 -14.291 -24.380 1.00 0.00 N ATOM 333 CA CYS A 25 -8.336 -12.917 -24.405 1.00 0.00 C ATOM 334 C CYS A 25 -8.552 -12.288 -25.777 1.00 0.00 C ATOM 335 O CYS A 25 -8.905 -12.972 -26.737 1.00 0.00 O ATOM 336 CB CYS A 25 -6.852 -12.875 -24.039 1.00 0.00 C ATOM 337 SG CYS A 25 -6.528 -12.423 -22.318 1.00 0.00 S ATOM 0 H CYS A 25 -8.098 -14.995 -24.255 1.00 0.00 H new ATOM 0 HA CYS A 25 -8.900 -12.343 -23.670 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.413 -13.853 -24.235 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.348 -12.162 -24.692 1.00 0.00 H new ATOM 0 HG CYS A 25 -7.106 -11.289 -22.051 1.00 0.00 H new ATOM 343 N VAL A 26 -8.339 -10.978 -25.862 1.00 0.00 N ATOM 344 CA VAL A 26 -8.511 -10.256 -27.117 1.00 0.00 C ATOM 345 C VAL A 26 -7.281 -10.400 -28.007 1.00 0.00 C ATOM 346 O VAL A 26 -7.386 -10.789 -29.170 1.00 0.00 O ATOM 347 CB VAL A 26 -8.781 -8.760 -26.871 1.00 0.00 C ATOM 348 CG1 VAL A 26 -8.950 -8.023 -28.191 1.00 0.00 C ATOM 349 CG2 VAL A 26 -10.006 -8.578 -25.988 1.00 0.00 C ATOM 0 H VAL A 26 -8.047 -10.396 -25.077 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.373 -10.695 -27.620 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.922 -8.334 -26.353 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.140 -6.967 -27.997 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.041 -8.125 -28.784 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.790 -8.448 -28.740 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.182 -7.515 -25.825 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.875 -9.019 -26.476 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.840 -9.070 -25.030 1.00 0.00 H new ATOM 359 N ASP A 27 -6.116 -10.083 -27.452 1.00 0.00 N ATOM 360 CA ASP A 27 -4.865 -10.178 -28.195 1.00 0.00 C ATOM 361 C ASP A 27 -4.491 -11.636 -28.445 1.00 0.00 C ATOM 362 O ASP A 27 -3.922 -11.971 -29.484 1.00 0.00 O ATOM 363 CB ASP A 27 -3.740 -9.474 -27.433 1.00 0.00 C ATOM 364 CG ASP A 27 -3.044 -8.421 -28.273 1.00 0.00 C ATOM 365 OD1 ASP A 27 -3.564 -7.289 -28.356 1.00 0.00 O ATOM 366 OD2 ASP A 27 -1.978 -8.730 -28.846 1.00 0.00 O ATOM 0 H ASP A 27 -6.012 -9.758 -26.491 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.005 -9.687 -29.158 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.148 -9.008 -26.536 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.010 -10.213 -27.104 1.00 0.00 H new ATOM 371 N ARG A 28 -4.815 -12.498 -27.487 1.00 0.00 N ATOM 372 CA ARG A 28 -4.511 -13.919 -27.602 1.00 0.00 C ATOM 373 C ARG A 28 -5.751 -14.708 -28.014 1.00 0.00 C ATOM 374 O ARG A 28 -6.819 -14.559 -27.421 1.00 0.00 O ATOM 375 CB ARG A 28 -3.969 -14.456 -26.277 1.00 0.00 C ATOM 376 CG ARG A 28 -2.619 -13.873 -25.890 1.00 0.00 C ATOM 377 CD ARG A 28 -2.249 -14.228 -24.458 1.00 0.00 C ATOM 378 NE ARG A 28 -1.367 -13.231 -23.858 1.00 0.00 N ATOM 379 CZ ARG A 28 -0.587 -13.475 -22.810 1.00 0.00 C ATOM 380 NH1 ARG A 28 -0.581 -14.677 -22.250 1.00 0.00 N ATOM 381 NH2 ARG A 28 0.188 -12.516 -22.321 1.00 0.00 N ATOM 0 H ARG A 28 -5.288 -12.237 -26.622 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.750 -14.041 -28.373 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.688 -14.241 -25.486 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.882 -15.541 -26.343 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.852 -14.247 -26.568 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.644 -12.789 -26.003 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.156 -14.316 -23.860 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.760 -15.202 -24.441 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.348 -12.296 -24.265 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.176 -15.417 -22.624 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.018 -14.862 -21.446 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.186 -11.590 -22.749 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.786 -12.704 -21.517 1.00 0.00 H new ATOM 395 N ASP A 29 -5.600 -15.546 -29.034 1.00 0.00 N ATOM 396 CA ASP A 29 -6.707 -16.359 -29.525 1.00 0.00 C ATOM 397 C ASP A 29 -6.728 -17.720 -28.836 1.00 0.00 C ATOM 398 O ASP A 29 -7.083 -18.730 -29.445 1.00 0.00 O ATOM 399 CB ASP A 29 -6.601 -16.541 -31.040 1.00 0.00 C ATOM 400 CG ASP A 29 -7.922 -16.307 -31.745 1.00 0.00 C ATOM 401 OD1 ASP A 29 -8.487 -15.203 -31.595 1.00 0.00 O ATOM 402 OD2 ASP A 29 -8.390 -17.226 -32.448 1.00 0.00 O ATOM 0 H ASP A 29 -4.723 -15.680 -29.537 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.638 -15.841 -29.294 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.855 -15.851 -31.434 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.250 -17.550 -31.258 1.00 0.00 H new ATOM 407 N VAL A 30 -6.345 -17.740 -27.564 1.00 0.00 N ATOM 408 CA VAL A 30 -6.320 -18.977 -26.792 1.00 0.00 C ATOM 409 C VAL A 30 -7.005 -18.797 -25.442 1.00 0.00 C ATOM 410 O VAL A 30 -7.221 -17.672 -24.990 1.00 0.00 O ATOM 411 CB VAL A 30 -4.878 -19.467 -26.563 1.00 0.00 C ATOM 412 CG1 VAL A 30 -4.457 -20.425 -27.666 1.00 0.00 C ATOM 413 CG2 VAL A 30 -3.923 -18.286 -26.477 1.00 0.00 C ATOM 0 H VAL A 30 -6.048 -16.913 -27.046 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.861 -19.723 -27.373 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.841 -20.005 -25.616 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.435 -20.760 -27.487 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.125 -21.286 -27.675 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.508 -19.916 -28.629 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.908 -18.650 -26.315 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.961 -17.719 -27.407 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.214 -17.642 -25.647 1.00 0.00 H new ATOM 423 N ARG A 31 -7.344 -19.911 -24.803 1.00 0.00 N ATOM 424 CA ARG A 31 -8.005 -19.876 -23.504 1.00 0.00 C ATOM 425 C ARG A 31 -6.981 -19.881 -22.372 1.00 0.00 C ATOM 426 O ARG A 31 -5.959 -20.562 -22.450 1.00 0.00 O ATOM 427 CB ARG A 31 -8.949 -21.070 -23.356 1.00 0.00 C ATOM 428 CG ARG A 31 -8.246 -22.416 -23.427 1.00 0.00 C ATOM 429 CD ARG A 31 -9.185 -23.511 -23.909 1.00 0.00 C ATOM 430 NE ARG A 31 -8.458 -24.682 -24.392 1.00 0.00 N ATOM 431 CZ ARG A 31 -9.020 -25.655 -25.100 1.00 0.00 C ATOM 432 NH1 ARG A 31 -10.309 -25.598 -25.406 1.00 0.00 N ATOM 433 NH2 ARG A 31 -8.292 -26.688 -25.504 1.00 0.00 N ATOM 0 H ARG A 31 -7.172 -20.850 -25.163 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.583 -18.954 -23.444 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.472 -20.993 -22.403 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.706 -21.023 -24.139 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.391 -22.346 -24.100 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.856 -22.677 -22.443 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.847 -23.806 -23.094 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.816 -23.122 -24.708 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.464 -24.757 -24.174 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.872 -24.805 -25.097 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.738 -26.347 -25.950 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.300 -26.735 -25.271 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.724 -27.435 -26.048 1.00 0.00 H new ATOM 447 N MET A 32 -7.263 -19.117 -21.322 1.00 0.00 N ATOM 448 CA MET A 32 -6.367 -19.034 -20.175 1.00 0.00 C ATOM 449 C MET A 32 -6.932 -19.806 -18.987 1.00 0.00 C ATOM 450 O MET A 32 -7.715 -19.271 -18.201 1.00 0.00 O ATOM 451 CB MET A 32 -6.137 -17.573 -19.785 1.00 0.00 C ATOM 452 CG MET A 32 -5.130 -17.395 -18.660 1.00 0.00 C ATOM 453 SD MET A 32 -3.513 -18.084 -19.059 1.00 0.00 S ATOM 454 CE MET A 32 -2.539 -16.590 -19.221 1.00 0.00 C ATOM 0 H MET A 32 -8.105 -18.547 -21.242 1.00 0.00 H new ATOM 0 HA MET A 32 -5.414 -19.482 -20.457 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.793 -17.022 -20.660 1.00 0.00 H new ATOM 0 HB3 MET A 32 -7.087 -17.132 -19.484 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.023 -16.333 -18.438 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.511 -17.873 -17.757 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.705 -16.771 -19.899 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.163 -15.790 -19.620 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.155 -16.298 -18.243 1.00 0.00 H new ATOM 464 N PHE A 33 -6.532 -21.067 -18.861 1.00 0.00 N ATOM 465 CA PHE A 33 -6.999 -21.913 -17.770 1.00 0.00 C ATOM 466 C PHE A 33 -6.809 -21.219 -16.424 1.00 0.00 C ATOM 467 O PHE A 33 -5.682 -20.989 -15.985 1.00 0.00 O ATOM 468 CB PHE A 33 -6.255 -23.250 -17.777 1.00 0.00 C ATOM 469 CG PHE A 33 -6.167 -23.894 -16.423 1.00 0.00 C ATOM 470 CD1 PHE A 33 -7.168 -24.744 -15.979 1.00 0.00 C ATOM 471 CD2 PHE A 33 -5.083 -23.652 -15.594 1.00 0.00 C ATOM 472 CE1 PHE A 33 -7.090 -25.337 -14.734 1.00 0.00 C ATOM 473 CE2 PHE A 33 -4.999 -24.243 -14.348 1.00 0.00 C ATOM 474 CZ PHE A 33 -6.004 -25.088 -13.917 1.00 0.00 C ATOM 0 H PHE A 33 -5.885 -21.526 -19.502 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.063 -22.097 -17.917 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.757 -23.932 -18.463 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.247 -23.094 -18.163 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.018 -24.945 -16.614 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.294 -22.993 -15.926 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.878 -25.995 -14.399 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.149 -24.045 -13.712 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.941 -25.553 -12.944 1.00 0.00 H new ATOM 484 N PHE A 34 -7.919 -20.888 -15.774 1.00 0.00 N ATOM 485 CA PHE A 34 -7.876 -20.219 -14.479 1.00 0.00 C ATOM 486 C PHE A 34 -8.567 -21.059 -13.409 1.00 0.00 C ATOM 487 O PHE A 34 -9.401 -21.912 -13.716 1.00 0.00 O ATOM 488 CB PHE A 34 -8.540 -18.843 -14.569 1.00 0.00 C ATOM 489 CG PHE A 34 -10.034 -18.906 -14.703 1.00 0.00 C ATOM 490 CD1 PHE A 34 -10.621 -19.298 -15.895 1.00 0.00 C ATOM 491 CD2 PHE A 34 -10.853 -18.572 -13.636 1.00 0.00 C ATOM 492 CE1 PHE A 34 -11.996 -19.357 -16.021 1.00 0.00 C ATOM 493 CE2 PHE A 34 -12.229 -18.630 -13.756 1.00 0.00 C ATOM 494 CZ PHE A 34 -12.801 -19.022 -14.950 1.00 0.00 C ATOM 0 H PHE A 34 -8.860 -21.072 -16.123 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.830 -20.093 -14.199 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.287 -18.268 -13.679 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.129 -18.305 -15.423 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.997 -19.561 -16.736 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.411 -18.263 -12.700 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -12.440 -19.665 -16.956 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.856 -18.369 -12.916 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.876 -19.067 -15.046 1.00 0.00 H new ATOM 504 N HIS A 35 -8.213 -20.813 -12.151 1.00 0.00 N ATOM 505 CA HIS A 35 -8.799 -21.547 -11.035 1.00 0.00 C ATOM 506 C HIS A 35 -9.795 -20.676 -10.275 1.00 0.00 C ATOM 507 O HIS A 35 -9.705 -19.448 -10.297 1.00 0.00 O ATOM 508 CB HIS A 35 -7.702 -22.034 -10.087 1.00 0.00 C ATOM 509 CG HIS A 35 -7.382 -23.490 -10.239 1.00 0.00 C ATOM 510 ND1 HIS A 35 -8.348 -24.474 -10.262 1.00 0.00 N ATOM 511 CD2 HIS A 35 -6.195 -24.125 -10.378 1.00 0.00 C ATOM 512 CE1 HIS A 35 -7.768 -25.652 -10.407 1.00 0.00 C ATOM 513 NE2 HIS A 35 -6.462 -25.468 -10.480 1.00 0.00 N ATOM 0 H HIS A 35 -7.524 -20.112 -11.879 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.331 -22.409 -11.437 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.797 -21.451 -10.261 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.011 -21.844 -9.059 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.220 -23.662 -10.404 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.276 -26.604 -10.457 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.765 -26.204 -10.594 1.00 0.00 H new ATOM 521 N PHE A 36 -10.744 -21.320 -9.604 1.00 0.00 N ATOM 522 CA PHE A 36 -11.758 -20.604 -8.839 1.00 0.00 C ATOM 523 C PHE A 36 -11.220 -20.197 -7.470 1.00 0.00 C ATOM 524 O PHE A 36 -11.921 -20.293 -6.462 1.00 0.00 O ATOM 525 CB PHE A 36 -13.008 -21.471 -8.671 1.00 0.00 C ATOM 526 CG PHE A 36 -13.963 -21.376 -9.826 1.00 0.00 C ATOM 527 CD1 PHE A 36 -13.830 -22.211 -10.923 1.00 0.00 C ATOM 528 CD2 PHE A 36 -14.994 -20.451 -9.814 1.00 0.00 C ATOM 529 CE1 PHE A 36 -14.708 -22.126 -11.988 1.00 0.00 C ATOM 530 CE2 PHE A 36 -15.875 -20.361 -10.875 1.00 0.00 C ATOM 531 CZ PHE A 36 -15.731 -21.199 -11.964 1.00 0.00 C ATOM 0 H PHE A 36 -10.832 -22.336 -9.574 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.022 -19.701 -9.389 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.705 -22.510 -8.545 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.525 -21.176 -7.758 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -13.031 -22.937 -10.947 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -15.111 -19.793 -8.966 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -14.594 -22.784 -12.837 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -16.675 -19.636 -10.853 1.00 0.00 H new ATOM 0 HZ PHE A 36 -16.417 -21.129 -12.795 1.00 0.00 H new ATOM 541 N SER A 37 -9.972 -19.742 -7.443 1.00 0.00 N ATOM 542 CA SER A 37 -9.337 -19.325 -6.198 1.00 0.00 C ATOM 543 C SER A 37 -8.857 -17.880 -6.291 1.00 0.00 C ATOM 544 O SER A 37 -8.667 -17.211 -5.276 1.00 0.00 O ATOM 545 CB SER A 37 -8.161 -20.245 -5.867 1.00 0.00 C ATOM 546 OG SER A 37 -8.597 -21.402 -5.175 1.00 0.00 O ATOM 0 H SER A 37 -9.380 -19.653 -8.269 1.00 0.00 H new ATOM 0 HA SER A 37 -10.077 -19.393 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.654 -20.537 -6.787 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.434 -19.706 -5.259 1.00 0.00 H new ATOM 0 HG SER A 37 -7.827 -21.974 -4.977 1.00 0.00 H new ATOM 552 N GLU A 38 -8.663 -17.405 -7.518 1.00 0.00 N ATOM 553 CA GLU A 38 -8.204 -16.040 -7.744 1.00 0.00 C ATOM 554 C GLU A 38 -9.384 -15.077 -7.835 1.00 0.00 C ATOM 555 O GLU A 38 -9.207 -13.858 -7.823 1.00 0.00 O ATOM 556 CB GLU A 38 -7.371 -15.964 -9.026 1.00 0.00 C ATOM 557 CG GLU A 38 -6.222 -16.957 -9.064 1.00 0.00 C ATOM 558 CD GLU A 38 -5.740 -17.346 -7.680 1.00 0.00 C ATOM 559 OE1 GLU A 38 -6.320 -18.283 -7.092 1.00 0.00 O ATOM 560 OE2 GLU A 38 -4.784 -16.714 -7.184 1.00 0.00 O ATOM 0 H GLU A 38 -8.817 -17.945 -8.369 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.583 -15.748 -6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.021 -16.140 -9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.972 -14.955 -9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.538 -17.852 -9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.393 -16.526 -9.625 1.00 0.00 H new ATOM 567 N ILE A 39 -10.588 -15.632 -7.925 1.00 0.00 N ATOM 568 CA ILE A 39 -11.797 -14.824 -8.017 1.00 0.00 C ATOM 569 C ILE A 39 -12.100 -14.135 -6.691 1.00 0.00 C ATOM 570 O ILE A 39 -13.088 -13.410 -6.566 1.00 0.00 O ATOM 571 CB ILE A 39 -13.013 -15.674 -8.430 1.00 0.00 C ATOM 572 CG1 ILE A 39 -12.662 -16.555 -9.631 1.00 0.00 C ATOM 573 CG2 ILE A 39 -14.200 -14.779 -8.752 1.00 0.00 C ATOM 574 CD1 ILE A 39 -13.827 -17.377 -10.138 1.00 0.00 C ATOM 0 H ILE A 39 -10.752 -16.639 -7.936 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.614 -14.070 -8.783 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.286 -16.321 -7.596 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.294 -15.923 -10.440 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.848 -17.225 -9.354 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.052 -15.394 -9.042 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.461 -14.190 -7.873 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.939 -14.110 -9.572 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.506 -17.977 -10.990 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.181 -18.034 -9.344 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.634 -16.713 -10.446 1.00 0.00 H new ATOM 586 N LEU A 40 -11.243 -14.365 -5.702 1.00 0.00 N ATOM 587 CA LEU A 40 -11.417 -13.765 -4.384 1.00 0.00 C ATOM 588 C LEU A 40 -11.579 -12.252 -4.491 1.00 0.00 C ATOM 589 O LEU A 40 -12.104 -11.608 -3.583 1.00 0.00 O ATOM 590 CB LEU A 40 -10.223 -14.099 -3.488 1.00 0.00 C ATOM 591 CG LEU A 40 -8.841 -13.912 -4.115 1.00 0.00 C ATOM 592 CD1 LEU A 40 -8.527 -12.433 -4.283 1.00 0.00 C ATOM 593 CD2 LEU A 40 -7.775 -14.592 -3.268 1.00 0.00 C ATOM 0 H LEU A 40 -10.421 -14.963 -5.788 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.323 -14.178 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.281 -13.479 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.316 -15.136 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.844 -14.376 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.540 -12.319 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.274 -11.974 -4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.542 -11.945 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.798 -14.449 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.772 -14.157 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.991 -15.658 -3.199 1.00 0.00 H new ATOM 605 N ASP A 41 -11.126 -11.692 -5.607 1.00 0.00 N ATOM 606 CA ASP A 41 -11.224 -10.255 -5.835 1.00 0.00 C ATOM 607 C ASP A 41 -12.575 -9.721 -5.370 1.00 0.00 C ATOM 608 O ASP A 41 -12.664 -8.627 -4.815 1.00 0.00 O ATOM 609 CB ASP A 41 -11.019 -9.937 -7.317 1.00 0.00 C ATOM 610 CG ASP A 41 -12.329 -9.821 -8.071 1.00 0.00 C ATOM 611 OD1 ASP A 41 -12.938 -10.871 -8.368 1.00 0.00 O ATOM 612 OD2 ASP A 41 -12.747 -8.681 -8.363 1.00 0.00 O ATOM 0 H ASP A 41 -10.687 -12.211 -6.368 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.441 -9.766 -5.255 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.465 -9.003 -7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.409 -10.717 -7.772 1.00 0.00 H new ATOM 617 N GLY A 42 -13.626 -10.502 -5.601 1.00 0.00 N ATOM 618 CA GLY A 42 -14.959 -10.091 -5.200 1.00 0.00 C ATOM 619 C GLY A 42 -15.869 -9.840 -6.386 1.00 0.00 C ATOM 620 O GLY A 42 -16.046 -8.699 -6.810 1.00 0.00 O ATOM 0 H GLY A 42 -13.578 -11.412 -6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.398 -10.861 -4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.891 -9.184 -4.600 1.00 0.00 H new ATOM 624 N ASN A 43 -16.447 -10.909 -6.924 1.00 0.00 N ATOM 625 CA ASN A 43 -17.342 -10.799 -8.070 1.00 0.00 C ATOM 626 C ASN A 43 -17.731 -12.180 -8.591 1.00 0.00 C ATOM 627 O ASN A 43 -16.959 -13.133 -8.486 1.00 0.00 O ATOM 628 CB ASN A 43 -16.679 -9.989 -9.185 1.00 0.00 C ATOM 629 CG ASN A 43 -17.120 -8.538 -9.186 1.00 0.00 C ATOM 630 OD1 ASN A 43 -18.298 -8.236 -8.998 1.00 0.00 O ATOM 631 ND2 ASN A 43 -16.173 -7.632 -9.399 1.00 0.00 N ATOM 0 H ASN A 43 -16.312 -11.861 -6.585 1.00 0.00 H new ATOM 0 HA ASN A 43 -18.247 -10.285 -7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -15.596 -10.037 -9.070 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -16.918 -10.439 -10.149 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -16.410 -6.640 -9.411 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -15.209 -7.928 -9.550 1.00 0.00 H new ATOM 638 N GLN A 44 -18.931 -12.278 -9.152 1.00 0.00 N ATOM 639 CA GLN A 44 -19.422 -13.541 -9.689 1.00 0.00 C ATOM 640 C GLN A 44 -19.303 -13.569 -11.209 1.00 0.00 C ATOM 641 O GLN A 44 -20.069 -12.912 -11.915 1.00 0.00 O ATOM 642 CB GLN A 44 -20.878 -13.765 -9.276 1.00 0.00 C ATOM 643 CG GLN A 44 -21.157 -15.169 -8.766 1.00 0.00 C ATOM 644 CD GLN A 44 -22.504 -15.697 -9.218 1.00 0.00 C ATOM 645 OE1 GLN A 44 -22.659 -16.148 -10.353 1.00 0.00 O ATOM 646 NE2 GLN A 44 -23.490 -15.644 -8.329 1.00 0.00 N ATOM 0 H GLN A 44 -19.581 -11.498 -9.247 1.00 0.00 H new ATOM 0 HA GLN A 44 -18.808 -14.343 -9.279 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -21.141 -13.047 -8.500 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.524 -13.563 -10.130 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -20.372 -15.841 -9.114 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.117 -15.170 -7.677 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -23.318 -15.262 -7.399 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.419 -15.985 -8.577 1.00 0.00 H new ATOM 655 N LEU A 45 -18.338 -14.335 -11.708 1.00 0.00 N ATOM 656 CA LEU A 45 -18.118 -14.449 -13.146 1.00 0.00 C ATOM 657 C LEU A 45 -19.346 -15.029 -13.840 1.00 0.00 C ATOM 658 O LEU A 45 -20.278 -15.499 -13.187 1.00 0.00 O ATOM 659 CB LEU A 45 -16.897 -15.326 -13.427 1.00 0.00 C ATOM 660 CG LEU A 45 -15.540 -14.623 -13.380 1.00 0.00 C ATOM 661 CD1 LEU A 45 -15.243 -14.129 -11.973 1.00 0.00 C ATOM 662 CD2 LEU A 45 -14.439 -15.555 -13.864 1.00 0.00 C ATOM 0 H LEU A 45 -17.696 -14.886 -11.138 1.00 0.00 H new ATOM 0 HA LEU A 45 -17.938 -13.449 -13.542 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.886 -16.142 -12.704 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -17.017 -15.776 -14.413 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.576 -13.760 -14.045 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -14.273 -13.631 -11.959 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -16.016 -13.426 -11.664 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.226 -14.975 -11.286 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.480 -15.038 -13.824 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -14.402 -16.437 -13.225 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -14.644 -15.859 -14.891 1.00 0.00 H new ATOM 674 N HIS A 46 -19.340 -14.994 -15.169 1.00 0.00 N ATOM 675 CA HIS A 46 -20.452 -15.519 -15.953 1.00 0.00 C ATOM 676 C HIS A 46 -20.091 -15.582 -17.434 1.00 0.00 C ATOM 677 O HIS A 46 -19.348 -14.740 -17.938 1.00 0.00 O ATOM 678 CB HIS A 46 -21.696 -14.653 -15.756 1.00 0.00 C ATOM 679 CG HIS A 46 -22.883 -15.415 -15.251 1.00 0.00 C ATOM 680 ND1 HIS A 46 -23.427 -15.218 -13.999 1.00 0.00 N ATOM 681 CD2 HIS A 46 -23.632 -16.377 -15.839 1.00 0.00 C ATOM 682 CE1 HIS A 46 -24.458 -16.028 -13.838 1.00 0.00 C ATOM 683 NE2 HIS A 46 -24.604 -16.742 -14.940 1.00 0.00 N ATOM 0 H HIS A 46 -18.577 -14.608 -15.725 1.00 0.00 H new ATOM 0 HA HIS A 46 -20.664 -16.530 -15.605 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.464 -13.852 -15.054 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.954 -14.181 -16.704 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -23.491 -16.782 -16.830 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -25.077 -16.095 -12.955 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -25.322 -17.449 -15.097 1.00 0.00 H new ATOM 691 N ILE A 47 -20.622 -16.585 -18.125 1.00 0.00 N ATOM 692 CA ILE A 47 -20.355 -16.757 -19.548 1.00 0.00 C ATOM 693 C ILE A 47 -20.202 -15.410 -20.245 1.00 0.00 C ATOM 694 O ILE A 47 -21.140 -14.615 -20.295 1.00 0.00 O ATOM 695 CB ILE A 47 -21.477 -17.555 -20.238 1.00 0.00 C ATOM 696 CG1 ILE A 47 -21.644 -18.923 -19.573 1.00 0.00 C ATOM 697 CG2 ILE A 47 -21.178 -17.714 -21.721 1.00 0.00 C ATOM 698 CD1 ILE A 47 -20.331 -19.604 -19.256 1.00 0.00 C ATOM 0 H ILE A 47 -21.239 -17.291 -17.723 1.00 0.00 H new ATOM 0 HA ILE A 47 -19.421 -17.313 -19.629 1.00 0.00 H new ATOM 0 HB ILE A 47 -22.412 -17.005 -20.132 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -22.214 -18.803 -18.652 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -22.230 -19.568 -20.228 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -21.980 -18.280 -22.195 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -21.105 -16.730 -22.185 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -20.235 -18.246 -21.847 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -20.525 -20.568 -18.786 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -19.768 -19.756 -20.177 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -19.752 -18.979 -18.576 1.00 0.00 H new ATOM 710 N ALA A 48 -19.013 -15.160 -20.784 1.00 0.00 N ATOM 711 CA ALA A 48 -18.737 -13.911 -21.482 1.00 0.00 C ATOM 712 C ALA A 48 -18.678 -12.739 -20.508 1.00 0.00 C ATOM 713 O ALA A 48 -19.484 -11.812 -20.587 1.00 0.00 O ATOM 714 CB ALA A 48 -19.792 -13.659 -22.550 1.00 0.00 C ATOM 0 H ALA A 48 -18.225 -15.807 -20.750 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.763 -14.000 -21.962 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.573 -12.723 -23.064 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -19.784 -14.478 -23.269 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -20.775 -13.596 -22.083 1.00 0.00 H new ATOM 720 N ASP A 49 -17.719 -12.787 -19.590 1.00 0.00 N ATOM 721 CA ASP A 49 -17.554 -11.729 -18.600 1.00 0.00 C ATOM 722 C ASP A 49 -16.142 -11.153 -18.651 1.00 0.00 C ATOM 723 O ASP A 49 -15.160 -11.894 -18.656 1.00 0.00 O ATOM 724 CB ASP A 49 -17.851 -12.263 -17.198 1.00 0.00 C ATOM 725 CG ASP A 49 -19.227 -11.860 -16.704 1.00 0.00 C ATOM 726 OD1 ASP A 49 -19.749 -10.831 -17.181 1.00 0.00 O ATOM 727 OD2 ASP A 49 -19.780 -12.573 -15.841 1.00 0.00 O ATOM 0 H ASP A 49 -17.044 -13.547 -19.511 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.260 -10.932 -18.834 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.774 -13.350 -17.203 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.096 -11.893 -16.504 1.00 0.00 H new ATOM 732 N GLU A 50 -16.051 -9.827 -18.689 1.00 0.00 N ATOM 733 CA GLU A 50 -14.759 -9.153 -18.741 1.00 0.00 C ATOM 734 C GLU A 50 -14.001 -9.326 -17.428 1.00 0.00 C ATOM 735 O GLU A 50 -14.552 -9.114 -16.347 1.00 0.00 O ATOM 736 CB GLU A 50 -14.948 -7.664 -19.041 1.00 0.00 C ATOM 737 CG GLU A 50 -15.756 -7.395 -20.299 1.00 0.00 C ATOM 738 CD GLU A 50 -16.350 -6.000 -20.323 1.00 0.00 C ATOM 739 OE1 GLU A 50 -16.784 -5.521 -19.254 1.00 0.00 O ATOM 740 OE2 GLU A 50 -16.381 -5.387 -21.411 1.00 0.00 O ATOM 0 H GLU A 50 -16.855 -9.199 -18.685 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.173 -9.607 -19.541 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.443 -7.191 -18.193 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.969 -7.195 -19.141 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.117 -7.529 -21.172 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.558 -8.129 -20.375 1.00 0.00 H new ATOM 747 N VAL A 51 -12.734 -9.714 -17.529 1.00 0.00 N ATOM 748 CA VAL A 51 -11.899 -9.915 -16.351 1.00 0.00 C ATOM 749 C VAL A 51 -10.476 -9.426 -16.595 1.00 0.00 C ATOM 750 O VAL A 51 -9.928 -9.600 -17.683 1.00 0.00 O ATOM 751 CB VAL A 51 -11.857 -11.400 -15.941 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.261 -11.922 -15.681 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.160 -12.228 -17.010 1.00 0.00 C ATOM 0 H VAL A 51 -12.263 -9.896 -18.415 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.345 -9.334 -15.544 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.286 -11.488 -15.017 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.211 -12.972 -15.393 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.720 -11.346 -14.877 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.860 -11.822 -16.586 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.139 -13.274 -16.704 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.701 -12.136 -17.952 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.140 -11.868 -17.141 1.00 0.00 H new ATOM 763 N GLU A 52 -9.884 -8.813 -15.574 1.00 0.00 N ATOM 764 CA GLU A 52 -8.524 -8.298 -15.679 1.00 0.00 C ATOM 765 C GLU A 52 -7.566 -9.111 -14.813 1.00 0.00 C ATOM 766 O GLU A 52 -7.812 -9.321 -13.625 1.00 0.00 O ATOM 767 CB GLU A 52 -8.479 -6.826 -15.265 1.00 0.00 C ATOM 768 CG GLU A 52 -7.259 -6.084 -15.784 1.00 0.00 C ATOM 769 CD GLU A 52 -6.972 -4.815 -15.005 1.00 0.00 C ATOM 770 OE1 GLU A 52 -7.412 -4.723 -13.840 1.00 0.00 O ATOM 771 OE2 GLU A 52 -6.309 -3.915 -15.561 1.00 0.00 O ATOM 0 H GLU A 52 -10.324 -8.661 -14.667 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.209 -8.385 -16.719 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.378 -6.328 -15.628 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.496 -6.763 -14.177 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.391 -6.741 -15.734 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.410 -5.835 -16.834 1.00 0.00 H new ATOM 778 N PHE A 53 -6.473 -9.566 -15.416 1.00 0.00 N ATOM 779 CA PHE A 53 -5.478 -10.357 -14.701 1.00 0.00 C ATOM 780 C PHE A 53 -4.066 -9.895 -15.046 1.00 0.00 C ATOM 781 O PHE A 53 -3.825 -9.341 -16.119 1.00 0.00 O ATOM 782 CB PHE A 53 -5.638 -11.841 -15.038 1.00 0.00 C ATOM 783 CG PHE A 53 -6.210 -12.088 -16.404 1.00 0.00 C ATOM 784 CD1 PHE A 53 -5.567 -11.612 -17.535 1.00 0.00 C ATOM 785 CD2 PHE A 53 -7.392 -12.796 -16.558 1.00 0.00 C ATOM 786 CE1 PHE A 53 -6.092 -11.837 -18.794 1.00 0.00 C ATOM 787 CE2 PHE A 53 -7.921 -13.024 -17.814 1.00 0.00 C ATOM 788 CZ PHE A 53 -7.270 -12.545 -18.934 1.00 0.00 C ATOM 0 H PHE A 53 -6.254 -9.401 -16.398 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.637 -10.215 -13.632 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.666 -12.328 -14.967 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.283 -12.307 -14.293 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.645 -11.059 -17.432 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.905 -13.174 -15.686 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.581 -11.459 -19.668 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.843 -13.576 -17.920 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.681 -12.723 -19.917 1.00 0.00 H new ATOM 798 N THR A 54 -3.133 -10.126 -14.127 1.00 0.00 N ATOM 799 CA THR A 54 -1.745 -9.733 -14.332 1.00 0.00 C ATOM 800 C THR A 54 -1.031 -10.702 -15.267 1.00 0.00 C ATOM 801 O THR A 54 -0.455 -10.295 -16.277 1.00 0.00 O ATOM 802 CB THR A 54 -0.977 -9.666 -12.998 1.00 0.00 C ATOM 803 OG1 THR A 54 -1.657 -8.798 -12.084 1.00 0.00 O ATOM 804 CG2 THR A 54 0.444 -9.169 -13.215 1.00 0.00 C ATOM 0 H THR A 54 -3.314 -10.583 -13.234 1.00 0.00 H new ATOM 0 HA THR A 54 -1.761 -8.741 -14.784 1.00 0.00 H new ATOM 0 HB THR A 54 -0.933 -10.671 -12.579 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.082 -8.623 -11.310 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.966 -9.130 -12.259 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.968 -9.848 -13.887 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.418 -8.172 -13.654 1.00 0.00 H new ATOM 968 N ASN A 65 1.718 -19.903 -18.349 1.00 0.00 N ATOM 969 CA ASN A 65 1.251 -18.721 -17.633 1.00 0.00 C ATOM 970 C ASN A 65 -0.034 -19.021 -16.868 1.00 0.00 C ATOM 971 O ASN A 65 -0.704 -20.021 -17.126 1.00 0.00 O ATOM 972 CB ASN A 65 1.019 -17.566 -18.610 1.00 0.00 C ATOM 973 CG ASN A 65 2.284 -17.165 -19.343 1.00 0.00 C ATOM 974 OD1 ASN A 65 3.276 -16.777 -18.725 1.00 0.00 O ATOM 975 ND2 ASN A 65 2.255 -17.257 -20.667 1.00 0.00 N ATOM 0 HA ASN A 65 2.020 -18.433 -16.917 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.258 -17.855 -19.335 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.630 -16.706 -18.065 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.077 -17.001 -21.214 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.411 -17.584 -21.137 1.00 0.00 H new ATOM 982 N HIS A 66 -0.373 -18.147 -15.925 1.00 0.00 N ATOM 983 CA HIS A 66 -1.578 -18.318 -15.122 1.00 0.00 C ATOM 984 C HIS A 66 -2.225 -16.969 -14.820 1.00 0.00 C ATOM 985 O HIS A 66 -1.680 -15.919 -15.158 1.00 0.00 O ATOM 986 CB HIS A 66 -1.249 -19.043 -13.817 1.00 0.00 C ATOM 987 CG HIS A 66 -0.501 -18.196 -12.834 1.00 0.00 C ATOM 988 ND1 HIS A 66 0.158 -17.025 -12.995 1.00 0.00 N flip ATOM 989 CD2 HIS A 66 -0.367 -18.529 -11.502 1.00 0.00 C flip ATOM 990 CE1 HIS A 66 0.671 -16.674 -11.771 1.00 0.00 C flip ATOM 991 NE2 HIS A 66 0.340 -17.598 -10.887 1.00 0.00 N flip ATOM 0 H HIS A 66 0.170 -17.314 -15.699 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.284 -18.920 -15.694 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.176 -19.386 -13.358 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -0.658 -19.931 -14.043 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.776 -19.413 -11.035 1.00 0.00 H new ATOM 0 HE1 HIS A 66 1.251 -15.787 -11.564 1.00 0.00 H new ATOM 0 HE2 HIS A 66 0.588 -17.593 -9.898 1.00 0.00 H new ATOM 999 N ALA A 67 -3.390 -17.007 -14.182 1.00 0.00 N ATOM 1000 CA ALA A 67 -4.110 -15.788 -13.833 1.00 0.00 C ATOM 1001 C ALA A 67 -4.153 -15.589 -12.322 1.00 0.00 C ATOM 1002 O ALA A 67 -4.411 -16.530 -11.570 1.00 0.00 O ATOM 1003 CB ALA A 67 -5.520 -15.827 -14.403 1.00 0.00 C ATOM 0 H ALA A 67 -3.856 -17.868 -13.896 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.577 -14.943 -14.269 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.046 -14.911 -14.135 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.471 -15.913 -15.488 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.054 -16.685 -13.995 1.00 0.00 H new ATOM 1009 N ILE A 68 -3.899 -14.361 -11.884 1.00 0.00 N ATOM 1010 CA ILE A 68 -3.909 -14.040 -10.463 1.00 0.00 C ATOM 1011 C ILE A 68 -4.868 -12.892 -10.165 1.00 0.00 C ATOM 1012 O ILE A 68 -5.145 -12.061 -11.030 1.00 0.00 O ATOM 1013 CB ILE A 68 -2.503 -13.662 -9.960 1.00 0.00 C ATOM 1014 CG1 ILE A 68 -1.955 -12.476 -10.757 1.00 0.00 C ATOM 1015 CG2 ILE A 68 -1.565 -14.855 -10.064 1.00 0.00 C ATOM 1016 CD1 ILE A 68 -1.244 -11.451 -9.902 1.00 0.00 C ATOM 0 H ILE A 68 -3.684 -13.572 -12.493 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.244 -14.936 -9.941 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.574 -13.371 -8.912 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.265 -12.846 -11.516 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.777 -11.991 -11.283 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.575 -14.572 -9.705 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.950 -15.675 -9.458 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.496 -15.174 -11.104 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.882 -10.639 -10.533 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.936 -11.053 -9.160 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.401 -11.921 -9.396 1.00 0.00 H new ATOM 1028 N ARG A 69 -5.371 -12.852 -8.936 1.00 0.00 N ATOM 1029 CA ARG A 69 -6.299 -11.806 -8.523 1.00 0.00 C ATOM 1030 C ARG A 69 -7.243 -11.437 -9.664 1.00 0.00 C ATOM 1031 O ARG A 69 -7.162 -10.341 -10.220 1.00 0.00 O ATOM 1032 CB ARG A 69 -5.531 -10.567 -8.061 1.00 0.00 C ATOM 1033 CG ARG A 69 -4.377 -10.880 -7.123 1.00 0.00 C ATOM 1034 CD ARG A 69 -4.636 -10.345 -5.723 1.00 0.00 C ATOM 1035 NE ARG A 69 -3.955 -9.075 -5.487 1.00 0.00 N ATOM 1036 CZ ARG A 69 -4.306 -8.219 -4.535 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -5.325 -8.495 -3.733 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -3.637 -7.083 -4.383 1.00 0.00 N ATOM 0 H ARG A 69 -5.151 -13.532 -8.208 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.892 -12.188 -7.692 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.145 -10.042 -8.935 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.221 -9.888 -7.560 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.225 -11.958 -7.079 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.459 -10.444 -7.516 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.708 -10.214 -5.578 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.302 -11.077 -4.988 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.166 -8.832 -6.087 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.842 -9.367 -3.847 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.592 -7.835 -3.002 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.852 -6.867 -4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.907 -6.426 -3.651 1.00 0.00 H new ATOM 1052 N ILE A 70 -8.137 -12.358 -10.007 1.00 0.00 N ATOM 1053 CA ILE A 70 -9.096 -12.128 -11.080 1.00 0.00 C ATOM 1054 C ILE A 70 -10.112 -11.060 -10.691 1.00 0.00 C ATOM 1055 O ILE A 70 -10.964 -11.282 -9.830 1.00 0.00 O ATOM 1056 CB ILE A 70 -9.845 -13.422 -11.452 1.00 0.00 C ATOM 1057 CG1 ILE A 70 -8.919 -14.372 -12.214 1.00 0.00 C ATOM 1058 CG2 ILE A 70 -11.080 -13.100 -12.281 1.00 0.00 C ATOM 1059 CD1 ILE A 70 -9.582 -15.672 -12.613 1.00 0.00 C ATOM 0 H ILE A 70 -8.217 -13.270 -9.558 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.526 -11.786 -11.944 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.166 -13.915 -10.534 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.554 -13.870 -13.110 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.049 -14.592 -11.595 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.598 -14.024 -12.536 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.746 -12.457 -11.706 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.781 -12.588 -13.195 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.867 -16.296 -13.149 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.922 -16.196 -11.720 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.435 -15.462 -13.258 1.00 0.00 H new ATOM 1071 N LYS A 71 -10.018 -9.900 -11.332 1.00 0.00 N ATOM 1072 CA LYS A 71 -10.931 -8.797 -11.055 1.00 0.00 C ATOM 1073 C LYS A 71 -11.968 -8.658 -12.165 1.00 0.00 C ATOM 1074 O LYS A 71 -11.651 -8.236 -13.277 1.00 0.00 O ATOM 1075 CB LYS A 71 -10.151 -7.489 -10.906 1.00 0.00 C ATOM 1076 CG LYS A 71 -10.563 -6.670 -9.694 1.00 0.00 C ATOM 1077 CD LYS A 71 -9.926 -5.291 -9.710 1.00 0.00 C ATOM 1078 CE LYS A 71 -10.897 -4.234 -10.214 1.00 0.00 C ATOM 1079 NZ LYS A 71 -10.629 -2.901 -9.608 1.00 0.00 N ATOM 0 H LYS A 71 -9.319 -9.699 -12.047 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.450 -9.013 -10.121 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.087 -7.716 -10.836 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.290 -6.888 -11.805 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.648 -6.570 -9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.274 -7.195 -8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.593 -5.031 -8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.040 -5.306 -10.345 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.823 -4.161 -11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.918 -4.539 -9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.312 -2.208 -9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.724 -2.964 -8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.664 -2.598 -9.849 1.00 0.00 H new ATOM 1093 N LYS A 72 -13.210 -9.015 -11.855 1.00 0.00 N ATOM 1094 CA LYS A 72 -14.296 -8.928 -12.824 1.00 0.00 C ATOM 1095 C LYS A 72 -14.594 -7.475 -13.179 1.00 0.00 C ATOM 1096 O LYS A 72 -15.134 -6.724 -12.365 1.00 0.00 O ATOM 1097 CB LYS A 72 -15.556 -9.597 -12.270 1.00 0.00 C ATOM 1098 CG LYS A 72 -16.387 -10.302 -13.328 1.00 0.00 C ATOM 1099 CD LYS A 72 -17.796 -10.583 -12.836 1.00 0.00 C ATOM 1100 CE LYS A 72 -18.706 -11.026 -13.972 1.00 0.00 C ATOM 1101 NZ LYS A 72 -19.174 -9.873 -14.789 1.00 0.00 N ATOM 0 H LYS A 72 -13.489 -9.368 -10.940 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.984 -9.448 -13.730 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.268 -10.319 -11.506 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.172 -8.843 -11.780 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.431 -9.687 -14.227 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.904 -11.239 -13.606 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.767 -11.357 -12.069 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -18.205 -9.687 -12.369 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.173 -11.731 -14.610 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.567 -11.554 -13.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.931 -10.186 -15.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.538 -9.128 -14.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.381 -9.498 -15.347 1.00 0.00 H new ATOM 1115 N LEU A 73 -14.240 -7.085 -14.398 1.00 0.00 N ATOM 1116 CA LEU A 73 -14.470 -5.721 -14.862 1.00 0.00 C ATOM 1117 C LEU A 73 -15.950 -5.484 -15.144 1.00 0.00 C ATOM 1118 O LEU A 73 -16.665 -6.366 -15.620 1.00 0.00 O ATOM 1119 CB LEU A 73 -13.649 -5.444 -16.123 1.00 0.00 C ATOM 1120 CG LEU A 73 -12.130 -5.529 -15.967 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -11.473 -5.842 -17.302 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -11.581 -4.232 -15.391 1.00 0.00 C ATOM 0 H LEU A 73 -13.793 -7.694 -15.083 1.00 0.00 H new ATOM 0 HA LEU A 73 -14.155 -5.038 -14.073 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.955 -6.151 -16.894 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.902 -4.448 -16.485 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.899 -6.338 -15.274 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.392 -5.899 -17.171 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.844 -6.797 -17.675 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.711 -5.055 -18.018 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.499 -4.310 -15.287 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.823 -3.406 -16.060 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.028 -4.050 -14.414 1.00 0.00 H new ATOM 1134 N PRO A 74 -16.422 -4.265 -14.844 1.00 0.00 N ATOM 1135 CA PRO A 74 -17.821 -3.883 -15.060 1.00 0.00 C ATOM 1136 C PRO A 74 -18.168 -3.761 -16.540 1.00 0.00 C ATOM 1137 O PRO A 74 -17.325 -3.392 -17.357 1.00 0.00 O ATOM 1138 CB PRO A 74 -17.926 -2.519 -14.372 1.00 0.00 C ATOM 1139 CG PRO A 74 -16.539 -1.976 -14.394 1.00 0.00 C ATOM 1140 CD PRO A 74 -15.627 -3.165 -14.274 1.00 0.00 C ATOM 0 HA PRO A 74 -18.512 -4.629 -14.667 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -18.617 -1.862 -14.900 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.296 -2.618 -13.352 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -16.348 -1.430 -15.318 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -16.380 -1.278 -13.572 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.697 -3.015 -14.823 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.357 -3.361 -13.236 1.00 0.00 H new ATOM 1148 N LYS A 75 -19.414 -4.074 -16.878 1.00 0.00 N ATOM 1149 CA LYS A 75 -19.874 -3.998 -18.260 1.00 0.00 C ATOM 1150 C LYS A 75 -19.480 -2.667 -18.892 1.00 0.00 C ATOM 1151 O LYS A 75 -19.568 -1.617 -18.258 1.00 0.00 O ATOM 1152 CB LYS A 75 -21.393 -4.175 -18.324 1.00 0.00 C ATOM 1153 CG LYS A 75 -21.839 -5.254 -19.294 1.00 0.00 C ATOM 1154 CD LYS A 75 -23.172 -5.858 -18.883 1.00 0.00 C ATOM 1155 CE LYS A 75 -24.340 -5.077 -19.466 1.00 0.00 C ATOM 1156 NZ LYS A 75 -25.621 -5.828 -19.352 1.00 0.00 N ATOM 0 H LYS A 75 -20.124 -4.383 -16.214 1.00 0.00 H new ATOM 0 HA LYS A 75 -19.397 -4.802 -18.820 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -21.764 -4.417 -17.328 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -21.849 -3.228 -18.612 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -21.923 -4.832 -20.295 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -21.083 -6.037 -19.341 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -23.222 -6.894 -19.218 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -23.247 -5.870 -17.796 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -24.432 -4.122 -18.950 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -24.141 -4.855 -20.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -26.392 -5.263 -19.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -25.542 -6.729 -19.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -25.824 -6.018 -18.350 1.00 0.00 H new ATOM 1170 N GLY A 76 -19.045 -2.720 -20.148 1.00 0.00 N ATOM 1171 CA GLY A 76 -18.646 -1.511 -20.846 1.00 0.00 C ATOM 1172 C GLY A 76 -17.193 -1.155 -20.601 1.00 0.00 C ATOM 1173 O GLY A 76 -16.888 -0.091 -20.062 1.00 0.00 O ATOM 0 H GLY A 76 -18.962 -3.578 -20.694 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -18.810 -1.641 -21.916 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -19.279 -0.684 -20.525 1.00 0.00 H new ATOM 1177 N THR A 77 -16.291 -2.048 -20.998 1.00 0.00 N ATOM 1178 CA THR A 77 -14.862 -1.824 -20.816 1.00 0.00 C ATOM 1179 C THR A 77 -14.057 -2.479 -21.932 1.00 0.00 C ATOM 1180 O THR A 77 -13.209 -1.842 -22.557 1.00 0.00 O ATOM 1181 CB THR A 77 -14.376 -2.368 -19.460 1.00 0.00 C ATOM 1182 OG1 THR A 77 -15.113 -1.758 -18.395 1.00 0.00 O ATOM 1183 CG2 THR A 77 -12.890 -2.103 -19.272 1.00 0.00 C ATOM 0 H THR A 77 -16.525 -2.933 -21.448 1.00 0.00 H new ATOM 0 HA THR A 77 -14.705 -0.746 -20.843 1.00 0.00 H new ATOM 0 HB THR A 77 -14.541 -3.445 -19.445 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.840 -2.354 -18.117 1.00 0.00 H new ATOM 0 HG21 THR A 77 -12.570 -2.496 -18.307 1.00 0.00 H new ATOM 0 HG22 THR A 77 -12.329 -2.593 -20.068 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.705 -1.029 -19.306 1.00 0.00 H new ATOM 1191 N VAL A 78 -14.327 -3.757 -22.179 1.00 0.00 N ATOM 1192 CA VAL A 78 -13.629 -4.499 -23.222 1.00 0.00 C ATOM 1193 C VAL A 78 -14.577 -4.884 -24.352 1.00 0.00 C ATOM 1194 O VAL A 78 -15.767 -5.106 -24.129 1.00 0.00 O ATOM 1195 CB VAL A 78 -12.973 -5.774 -22.660 1.00 0.00 C ATOM 1196 CG1 VAL A 78 -12.116 -6.447 -23.721 1.00 0.00 C ATOM 1197 CG2 VAL A 78 -12.148 -5.449 -21.424 1.00 0.00 C ATOM 0 H VAL A 78 -15.025 -4.300 -21.670 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.852 -3.841 -23.612 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.761 -6.469 -22.370 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.661 -7.346 -23.305 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.738 -6.717 -24.574 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.333 -5.761 -24.046 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.692 -6.362 -21.041 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.367 -4.735 -21.685 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.793 -5.017 -20.659 1.00 0.00 H new