USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 544 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 4 MET CE :methyl -159:sc= -1.46 (180deg=-2.72!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -98:sc= 0.531 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -52:sc= 0.218! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 20:sc= -1.82 USER MOD Single : A 30 THR OG1 : rot -30:sc= 0.143 USER MOD Single : A 33 SER OG : rot 120:sc= -0.911 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0128 USER MOD Single : A 35 SER OG : rot 180:sc= 0.076 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -148:sc=-0.00712 (180deg=-0.774) USER MOD Single : A 48 THR OG1 : rot 119:sc= -0.484 USER MOD Single : A 57 ASN : amide:sc= -0.0805 X(o=-0.08,f=0) USER MOD Single : A 61 SER OG : rot 178:sc= 1.02 USER MOD Single : A 63 CYS SG : rot 10:sc= 1.36 USER MOD Single : A 64 ASN : amide:sc= -0.04 X(o=-0.04,f=-0.04) USER MOD Single : A 66 ASN : amide:sc= 0.0137 X(o=0.014,f=0) USER MOD Single : A 70 MET CE :methyl -119:sc= -3.64! (180deg=-8.46!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -163:sc= -0.101 (180deg=-0.81) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 7.552 -1.009 -3.382 1.00 0.00 N ATOM 24 CA ASP A 3 8.318 -0.936 -4.621 1.00 0.00 C ATOM 25 C ASP A 3 9.044 -2.251 -4.890 1.00 0.00 C ATOM 26 O ASP A 3 8.953 -2.809 -5.983 1.00 0.00 O ATOM 27 CB ASP A 3 9.326 0.213 -4.555 1.00 0.00 C ATOM 28 CG ASP A 3 8.655 1.565 -4.417 1.00 0.00 C ATOM 29 OD1 ASP A 3 7.637 1.796 -5.104 1.00 0.00 O ATOM 30 OD2 ASP A 3 9.146 2.392 -3.620 1.00 0.00 O ATOM 0 HA ASP A 3 7.622 -0.752 -5.439 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.997 0.056 -3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.940 0.206 -5.455 1.00 0.00 H new ATOM 35 N MET A 4 9.764 -2.739 -3.885 1.00 0.00 N ATOM 36 CA MET A 4 10.505 -3.989 -4.014 1.00 0.00 C ATOM 37 C MET A 4 10.023 -5.014 -2.993 1.00 0.00 C ATOM 38 O MET A 4 10.073 -6.219 -3.239 1.00 0.00 O ATOM 39 CB MET A 4 12.003 -3.739 -3.834 1.00 0.00 C ATOM 40 CG MET A 4 12.355 -3.077 -2.512 1.00 0.00 C ATOM 41 SD MET A 4 12.339 -1.277 -2.610 1.00 0.00 S ATOM 42 CE MET A 4 13.665 -0.990 -3.779 1.00 0.00 C ATOM 0 H MET A 4 9.850 -2.289 -2.974 1.00 0.00 H new ATOM 0 HA MET A 4 10.328 -4.386 -5.013 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.533 -4.689 -3.908 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.359 -3.111 -4.651 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.648 -3.402 -1.748 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.343 -3.411 -2.195 1.00 0.00 H new ATOM 0 HE1 MET A 4 14.030 0.031 -3.671 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.479 -1.689 -3.585 1.00 0.00 H new ATOM 0 HE3 MET A 4 13.294 -1.138 -4.793 1.00 0.00 H new ATOM 52 N GLU A 5 9.556 -4.528 -1.847 1.00 0.00 N ATOM 53 CA GLU A 5 9.067 -5.404 -0.789 1.00 0.00 C ATOM 54 C GLU A 5 7.939 -6.296 -1.300 1.00 0.00 C ATOM 55 O GLU A 5 7.774 -7.428 -0.845 1.00 0.00 O ATOM 56 CB GLU A 5 8.578 -4.578 0.403 1.00 0.00 C ATOM 57 CG GLU A 5 9.695 -4.122 1.326 1.00 0.00 C ATOM 58 CD GLU A 5 10.467 -5.282 1.925 1.00 0.00 C ATOM 59 OE1 GLU A 5 9.995 -5.852 2.931 1.00 0.00 O ATOM 60 OE2 GLU A 5 11.542 -5.620 1.388 1.00 0.00 O ATOM 0 H GLU A 5 9.506 -3.533 -1.628 1.00 0.00 H new ATOM 0 HA GLU A 5 9.893 -6.039 -0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.044 -3.703 0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.864 -5.169 0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.381 -3.482 0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.274 -3.517 2.129 1.00 0.00 H new ATOM 67 N ARG A 6 7.165 -5.777 -2.248 1.00 0.00 N ATOM 68 CA ARG A 6 6.052 -6.525 -2.820 1.00 0.00 C ATOM 69 C ARG A 6 6.558 -7.682 -3.678 1.00 0.00 C ATOM 70 O ARG A 6 5.812 -8.614 -3.982 1.00 0.00 O ATOM 71 CB ARG A 6 5.168 -5.602 -3.660 1.00 0.00 C ATOM 72 CG ARG A 6 3.868 -6.248 -4.111 1.00 0.00 C ATOM 73 CD ARG A 6 2.922 -6.470 -2.941 1.00 0.00 C ATOM 74 NE ARG A 6 2.518 -5.213 -2.317 1.00 0.00 N ATOM 75 CZ ARG A 6 1.573 -5.123 -1.388 1.00 0.00 C ATOM 76 NH1 ARG A 6 0.937 -6.212 -0.978 1.00 0.00 N ATOM 77 NH2 ARG A 6 1.262 -3.943 -0.868 1.00 0.00 N ATOM 0 H ARG A 6 7.288 -4.842 -2.636 1.00 0.00 H new ATOM 0 HA ARG A 6 5.462 -6.934 -2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.938 -4.708 -3.081 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.727 -5.278 -4.538 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.385 -5.615 -4.856 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.082 -7.202 -4.593 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.037 -7.004 -3.287 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.407 -7.104 -2.198 1.00 0.00 H new ATOM 0 HE ARG A 6 2.988 -4.357 -2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.173 -7.121 -1.376 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.212 -6.141 -0.264 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.749 -3.103 -1.182 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.536 -3.875 -0.155 1.00 0.00 H new ATOM 91 N ILE A 7 7.827 -7.614 -4.064 1.00 0.00 N ATOM 92 CA ILE A 7 8.432 -8.656 -4.885 1.00 0.00 C ATOM 93 C ILE A 7 9.331 -9.562 -4.051 1.00 0.00 C ATOM 94 O ILE A 7 9.348 -10.779 -4.236 1.00 0.00 O ATOM 95 CB ILE A 7 9.256 -8.055 -6.039 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.725 -6.668 -6.406 1.00 0.00 C ATOM 97 CG2 ILE A 7 9.224 -8.977 -7.249 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.426 -6.047 -7.594 1.00 0.00 C ATOM 0 H ILE A 7 8.456 -6.849 -3.822 1.00 0.00 H new ATOM 0 HA ILE A 7 7.614 -9.244 -5.301 1.00 0.00 H new ATOM 0 HB ILE A 7 10.291 -7.952 -5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.659 -6.741 -6.621 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.832 -6.008 -5.545 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.811 -8.539 -8.056 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.645 -9.946 -6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.194 -9.108 -7.579 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.998 -5.065 -7.797 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.489 -5.941 -7.375 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.297 -6.686 -8.467 1.00 0.00 H new ATOM 110 N PHE A 8 10.077 -8.960 -3.130 1.00 0.00 N ATOM 111 CA PHE A 8 10.979 -9.712 -2.266 1.00 0.00 C ATOM 112 C PHE A 8 10.233 -10.831 -1.544 1.00 0.00 C ATOM 113 O PHE A 8 10.520 -12.012 -1.740 1.00 0.00 O ATOM 114 CB PHE A 8 11.636 -8.781 -1.246 1.00 0.00 C ATOM 115 CG PHE A 8 12.337 -9.508 -0.134 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.339 -10.424 -0.411 1.00 0.00 C ATOM 117 CD2 PHE A 8 11.994 -9.277 1.188 1.00 0.00 C ATOM 118 CE1 PHE A 8 13.986 -11.095 0.609 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.638 -9.944 2.213 1.00 0.00 C ATOM 120 CZ PHE A 8 13.634 -10.856 1.923 1.00 0.00 C ATOM 0 H PHE A 8 10.074 -7.954 -2.963 1.00 0.00 H new ATOM 0 HA PHE A 8 11.753 -10.159 -2.891 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.353 -8.141 -1.760 1.00 0.00 H new ATOM 0 HB3 PHE A 8 10.875 -8.128 -0.819 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.618 -10.616 -1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 8 11.214 -8.567 1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.766 -11.806 0.379 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.363 -9.752 3.240 1.00 0.00 H new ATOM 0 HZ PHE A 8 14.136 -11.381 2.722 1.00 0.00 H new ATOM 130 N LYS A 9 9.274 -10.450 -0.707 1.00 0.00 N ATOM 131 CA LYS A 9 8.485 -11.418 0.045 1.00 0.00 C ATOM 132 C LYS A 9 7.821 -12.423 -0.891 1.00 0.00 C ATOM 133 O LYS A 9 7.538 -13.556 -0.500 1.00 0.00 O ATOM 134 CB LYS A 9 7.421 -10.702 0.880 1.00 0.00 C ATOM 135 CG LYS A 9 7.998 -9.755 1.918 1.00 0.00 C ATOM 136 CD LYS A 9 6.955 -9.353 2.947 1.00 0.00 C ATOM 137 CE LYS A 9 7.568 -8.532 4.071 1.00 0.00 C ATOM 138 NZ LYS A 9 6.765 -8.617 5.322 1.00 0.00 N ATOM 0 H LYS A 9 9.024 -9.477 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 9 9.158 -11.958 0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.765 -10.142 0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.804 -11.447 1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.840 -10.232 2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.385 -8.864 1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.167 -8.777 2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.488 -10.246 3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.582 -8.883 4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.645 -7.490 3.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.216 -8.044 6.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.805 -8.259 5.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.712 -9.608 5.634 1.00 0.00 H new ATOM 152 N ARG A 10 7.577 -12.002 -2.127 1.00 0.00 N ATOM 153 CA ARG A 10 6.946 -12.865 -3.118 1.00 0.00 C ATOM 154 C ARG A 10 7.870 -14.017 -3.502 1.00 0.00 C ATOM 155 O ARG A 10 7.458 -15.177 -3.522 1.00 0.00 O ATOM 156 CB ARG A 10 6.574 -12.060 -4.364 1.00 0.00 C ATOM 157 CG ARG A 10 5.075 -11.957 -4.598 1.00 0.00 C ATOM 158 CD ARG A 10 4.363 -11.366 -3.391 1.00 0.00 C ATOM 159 NE ARG A 10 3.092 -10.745 -3.756 1.00 0.00 N ATOM 160 CZ ARG A 10 2.201 -10.317 -2.868 1.00 0.00 C ATOM 161 NH1 ARG A 10 2.442 -10.442 -1.570 1.00 0.00 N ATOM 162 NH2 ARG A 10 1.068 -9.763 -3.278 1.00 0.00 N ATOM 0 H ARG A 10 7.807 -11.068 -2.466 1.00 0.00 H new ATOM 0 HA ARG A 10 6.039 -13.279 -2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.989 -11.056 -4.275 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.038 -12.521 -5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.884 -11.337 -5.474 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.670 -12.946 -4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.185 -12.150 -2.655 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.006 -10.624 -2.918 1.00 0.00 H new ATOM 0 HE ARG A 10 2.877 -10.634 -4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.313 -10.867 -1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.757 -10.113 -0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.880 -9.665 -4.276 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.385 -9.435 -2.596 1.00 0.00 H new ATOM 176 N PHE A 11 9.122 -13.689 -3.806 1.00 0.00 N ATOM 177 CA PHE A 11 10.104 -14.696 -4.190 1.00 0.00 C ATOM 178 C PHE A 11 10.648 -15.422 -2.963 1.00 0.00 C ATOM 179 O PHE A 11 11.146 -16.543 -3.062 1.00 0.00 O ATOM 180 CB PHE A 11 11.254 -14.048 -4.965 1.00 0.00 C ATOM 181 CG PHE A 11 10.869 -13.604 -6.347 1.00 0.00 C ATOM 182 CD1 PHE A 11 10.393 -14.516 -7.275 1.00 0.00 C ATOM 183 CD2 PHE A 11 10.984 -12.274 -6.719 1.00 0.00 C ATOM 184 CE1 PHE A 11 10.040 -14.110 -8.548 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.632 -11.861 -7.990 1.00 0.00 C ATOM 186 CZ PHE A 11 10.158 -12.780 -8.906 1.00 0.00 C ATOM 0 H PHE A 11 9.480 -12.734 -3.794 1.00 0.00 H new ATOM 0 HA PHE A 11 9.608 -15.425 -4.831 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.620 -13.188 -4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.079 -14.757 -5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.297 -15.556 -7.000 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.353 -11.551 -6.007 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.672 -14.831 -9.263 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.727 -10.821 -8.267 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.880 -12.460 -9.899 1.00 0.00 H new ATOM 196 N ASP A 12 10.550 -14.773 -1.808 1.00 0.00 N ATOM 197 CA ASP A 12 11.031 -15.355 -0.561 1.00 0.00 C ATOM 198 C ASP A 12 10.003 -16.320 0.021 1.00 0.00 C ATOM 199 O ASP A 12 9.556 -16.159 1.157 1.00 0.00 O ATOM 200 CB ASP A 12 11.346 -14.254 0.453 1.00 0.00 C ATOM 201 CG ASP A 12 12.143 -14.768 1.636 1.00 0.00 C ATOM 202 OD1 ASP A 12 12.436 -15.981 1.673 1.00 0.00 O ATOM 203 OD2 ASP A 12 12.474 -13.956 2.525 1.00 0.00 O ATOM 0 H ASP A 12 10.142 -13.843 -1.710 1.00 0.00 H new ATOM 0 HA ASP A 12 11.943 -15.911 -0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.905 -13.459 -0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.414 -13.815 0.809 1.00 0.00 H new ATOM 208 N THR A 13 9.630 -17.325 -0.766 1.00 0.00 N ATOM 209 CA THR A 13 8.653 -18.315 -0.331 1.00 0.00 C ATOM 210 C THR A 13 9.225 -19.726 -0.413 1.00 0.00 C ATOM 211 O THR A 13 8.483 -20.707 -0.413 1.00 0.00 O ATOM 212 CB THR A 13 7.367 -18.244 -1.176 1.00 0.00 C ATOM 213 OG1 THR A 13 7.693 -17.959 -2.541 1.00 0.00 O ATOM 214 CG2 THR A 13 6.425 -17.177 -0.639 1.00 0.00 C ATOM 0 H THR A 13 9.990 -17.474 -1.708 1.00 0.00 H new ATOM 0 HA THR A 13 8.410 -18.085 0.706 1.00 0.00 H new ATOM 0 HB THR A 13 6.866 -19.210 -1.118 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.581 -17.000 -2.711 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.524 -17.145 -1.252 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.156 -17.414 0.390 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.919 -16.206 -0.670 1.00 0.00 H new ATOM 255 N GLY A 17 15.132 -17.937 3.034 1.00 0.00 N ATOM 256 CA GLY A 17 14.969 -16.507 3.218 1.00 0.00 C ATOM 257 C GLY A 17 15.451 -15.710 2.022 1.00 0.00 C ATOM 258 O GLY A 17 15.050 -14.562 1.829 1.00 0.00 O ATOM 0 HA2 GLY A 17 13.917 -16.285 3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.519 -16.193 4.105 1.00 0.00 H new ATOM 262 N LYS A 18 16.316 -16.318 1.218 1.00 0.00 N ATOM 263 CA LYS A 18 16.855 -15.658 0.034 1.00 0.00 C ATOM 264 C LYS A 18 15.996 -15.954 -1.191 1.00 0.00 C ATOM 265 O LYS A 18 15.128 -16.826 -1.157 1.00 0.00 O ATOM 266 CB LYS A 18 18.295 -16.112 -0.217 1.00 0.00 C ATOM 267 CG LYS A 18 19.156 -16.124 1.034 1.00 0.00 C ATOM 268 CD LYS A 18 20.526 -16.720 0.762 1.00 0.00 C ATOM 269 CE LYS A 18 21.559 -16.224 1.763 1.00 0.00 C ATOM 270 NZ LYS A 18 22.907 -16.799 1.501 1.00 0.00 N ATOM 0 H LYS A 18 16.659 -17.267 1.364 1.00 0.00 H new ATOM 0 HA LYS A 18 16.846 -14.583 0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 18 18.281 -17.113 -0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.751 -15.453 -0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 18 19.269 -15.107 1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 18 18.657 -16.698 1.815 1.00 0.00 H new ATOM 0 HD2 LYS A 18 20.466 -17.807 0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 18 20.843 -16.460 -0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 18 21.614 -15.136 1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 18 21.242 -16.487 2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 23.582 -16.436 2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.861 -17.836 1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 23.221 -16.527 0.548 1.00 0.00 H new ATOM 284 N ILE A 19 16.245 -15.223 -2.273 1.00 0.00 N ATOM 285 CA ILE A 19 15.497 -15.409 -3.509 1.00 0.00 C ATOM 286 C ILE A 19 16.431 -15.692 -4.681 1.00 0.00 C ATOM 287 O ILE A 19 17.441 -15.011 -4.861 1.00 0.00 O ATOM 288 CB ILE A 19 14.638 -14.174 -3.839 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.529 -12.949 -4.056 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.634 -13.915 -2.726 1.00 0.00 C ATOM 291 CD1 ILE A 19 14.755 -11.685 -4.357 1.00 0.00 C ATOM 0 H ILE A 19 16.959 -14.496 -2.318 1.00 0.00 H new ATOM 0 HA ILE A 19 14.842 -16.267 -3.354 1.00 0.00 H new ATOM 0 HB ILE A 19 14.088 -14.367 -4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.137 -12.790 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 19 16.215 -13.150 -4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 19 13.034 -13.039 -2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.982 -14.782 -2.615 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.165 -13.738 -1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.450 -10.858 -4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.168 -11.825 -5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 19 14.088 -11.460 -3.525 1.00 0.00 H new ATOM 303 N SER A 20 16.087 -16.700 -5.476 1.00 0.00 N ATOM 304 CA SER A 20 16.896 -17.075 -6.629 1.00 0.00 C ATOM 305 C SER A 20 16.856 -15.986 -7.697 1.00 0.00 C ATOM 306 O SER A 20 15.901 -15.892 -8.470 1.00 0.00 O ATOM 307 CB SER A 20 16.403 -18.399 -7.216 1.00 0.00 C ATOM 308 OG SER A 20 15.595 -19.099 -6.287 1.00 0.00 O ATOM 0 H SER A 20 15.253 -17.272 -5.342 1.00 0.00 H new ATOM 0 HA SER A 20 17.927 -17.195 -6.295 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.834 -18.208 -8.126 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.256 -19.016 -7.498 1.00 0.00 H new ATOM 0 HG SER A 20 16.073 -19.183 -5.436 1.00 0.00 H new ATOM 314 N LEU A 21 17.899 -15.164 -7.735 1.00 0.00 N ATOM 315 CA LEU A 21 17.985 -14.081 -8.708 1.00 0.00 C ATOM 316 C LEU A 21 17.686 -14.587 -10.115 1.00 0.00 C ATOM 317 O LEU A 21 16.923 -13.970 -10.858 1.00 0.00 O ATOM 318 CB LEU A 21 19.375 -13.442 -8.668 1.00 0.00 C ATOM 319 CG LEU A 21 20.489 -14.298 -8.064 1.00 0.00 C ATOM 320 CD1 LEU A 21 21.778 -14.130 -8.854 1.00 0.00 C ATOM 321 CD2 LEU A 21 20.707 -13.936 -6.602 1.00 0.00 C ATOM 0 H LEU A 21 18.697 -15.227 -7.103 1.00 0.00 H new ATOM 0 HA LEU A 21 17.239 -13.331 -8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.660 -13.175 -9.686 1.00 0.00 H new ATOM 0 HB3 LEU A 21 19.310 -12.513 -8.101 1.00 0.00 H new ATOM 0 HG LEU A 21 20.187 -15.344 -8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.560 -14.746 -8.410 1.00 0.00 H new ATOM 0 HD12 LEU A 21 21.615 -14.439 -9.886 1.00 0.00 H new ATOM 0 HD13 LEU A 21 22.084 -13.084 -8.832 1.00 0.00 H new ATOM 0 HD21 LEU A 21 21.503 -14.555 -6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.987 -12.885 -6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 21 19.787 -14.108 -6.044 1.00 0.00 H new ATOM 333 N SER A 22 18.290 -15.716 -10.473 1.00 0.00 N ATOM 334 CA SER A 22 18.090 -16.305 -11.792 1.00 0.00 C ATOM 335 C SER A 22 16.604 -16.404 -12.122 1.00 0.00 C ATOM 336 O SER A 22 16.210 -16.332 -13.286 1.00 0.00 O ATOM 337 CB SER A 22 18.732 -17.692 -11.857 1.00 0.00 C ATOM 338 OG SER A 22 18.135 -18.575 -10.922 1.00 0.00 O ATOM 0 H SER A 22 18.922 -16.241 -9.868 1.00 0.00 H new ATOM 0 HA SER A 22 18.566 -15.658 -12.528 1.00 0.00 H new ATOM 0 HB2 SER A 22 18.627 -18.098 -12.863 1.00 0.00 H new ATOM 0 HB3 SER A 22 19.800 -17.612 -11.655 1.00 0.00 H new ATOM 0 HG SER A 22 18.562 -19.455 -10.985 1.00 0.00 H new ATOM 344 N GLU A 23 15.784 -16.570 -11.089 1.00 0.00 N ATOM 345 CA GLU A 23 14.341 -16.680 -11.270 1.00 0.00 C ATOM 346 C GLU A 23 13.685 -15.302 -11.260 1.00 0.00 C ATOM 347 O GLU A 23 12.675 -15.078 -11.929 1.00 0.00 O ATOM 348 CB GLU A 23 13.732 -17.554 -10.171 1.00 0.00 C ATOM 349 CG GLU A 23 13.999 -19.038 -10.356 1.00 0.00 C ATOM 350 CD GLU A 23 13.216 -19.898 -9.383 1.00 0.00 C ATOM 351 OE1 GLU A 23 12.134 -19.456 -8.941 1.00 0.00 O ATOM 352 OE2 GLU A 23 13.683 -21.011 -9.064 1.00 0.00 O ATOM 0 H GLU A 23 16.094 -16.631 -10.119 1.00 0.00 H new ATOM 0 HA GLU A 23 14.156 -17.145 -12.239 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.130 -17.239 -9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.655 -17.388 -10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.743 -19.325 -11.376 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.064 -19.230 -10.229 1.00 0.00 H new ATOM 359 N LEU A 24 14.266 -14.382 -10.498 1.00 0.00 N ATOM 360 CA LEU A 24 13.739 -13.025 -10.400 1.00 0.00 C ATOM 361 C LEU A 24 13.988 -12.250 -11.690 1.00 0.00 C ATOM 362 O LEU A 24 13.059 -11.707 -12.291 1.00 0.00 O ATOM 363 CB LEU A 24 14.378 -12.292 -9.220 1.00 0.00 C ATOM 364 CG LEU A 24 13.810 -10.908 -8.902 1.00 0.00 C ATOM 365 CD1 LEU A 24 13.978 -10.589 -7.424 1.00 0.00 C ATOM 366 CD2 LEU A 24 14.484 -9.846 -9.758 1.00 0.00 C ATOM 0 H LEU A 24 15.102 -14.551 -9.939 1.00 0.00 H new ATOM 0 HA LEU A 24 12.663 -13.091 -10.239 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.277 -12.917 -8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.445 -12.188 -9.417 1.00 0.00 H new ATOM 0 HG LEU A 24 12.745 -10.911 -9.133 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.568 -9.601 -7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.449 -11.333 -6.829 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.037 -10.604 -7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.068 -8.868 -9.519 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.555 -9.843 -9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.312 -10.065 -10.812 1.00 0.00 H new ATOM 378 N THR A 25 15.247 -12.204 -12.113 1.00 0.00 N ATOM 379 CA THR A 25 15.618 -11.496 -13.332 1.00 0.00 C ATOM 380 C THR A 25 14.790 -11.975 -14.519 1.00 0.00 C ATOM 381 O THR A 25 14.599 -11.242 -15.490 1.00 0.00 O ATOM 382 CB THR A 25 17.113 -11.681 -13.655 1.00 0.00 C ATOM 383 OG1 THR A 25 17.453 -10.947 -14.837 1.00 0.00 O ATOM 384 CG2 THR A 25 17.446 -13.152 -13.854 1.00 0.00 C ATOM 0 H THR A 25 16.027 -12.649 -11.629 1.00 0.00 H new ATOM 0 HA THR A 25 15.419 -10.439 -13.157 1.00 0.00 H new ATOM 0 HB THR A 25 17.693 -11.304 -12.813 1.00 0.00 H new ATOM 0 HG1 THR A 25 16.778 -10.255 -14.998 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.507 -13.257 -14.081 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.213 -13.704 -12.944 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.857 -13.550 -14.680 1.00 0.00 H new ATOM 392 N ASP A 26 14.301 -13.207 -14.435 1.00 0.00 N ATOM 393 CA ASP A 26 13.491 -13.783 -15.503 1.00 0.00 C ATOM 394 C ASP A 26 12.005 -13.658 -15.184 1.00 0.00 C ATOM 395 O ASP A 26 11.159 -13.759 -16.073 1.00 0.00 O ATOM 396 CB ASP A 26 13.859 -15.252 -15.715 1.00 0.00 C ATOM 397 CG ASP A 26 13.498 -15.745 -17.102 1.00 0.00 C ATOM 398 OD1 ASP A 26 14.000 -15.165 -18.087 1.00 0.00 O ATOM 399 OD2 ASP A 26 12.711 -16.710 -17.203 1.00 0.00 O ATOM 0 H ASP A 26 14.451 -13.826 -13.639 1.00 0.00 H new ATOM 0 HA ASP A 26 13.695 -13.230 -16.420 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.929 -15.382 -15.553 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.347 -15.863 -14.971 1.00 0.00 H new ATOM 404 N ALA A 27 11.694 -13.438 -13.911 1.00 0.00 N ATOM 405 CA ALA A 27 10.310 -13.299 -13.476 1.00 0.00 C ATOM 406 C ALA A 27 9.908 -11.830 -13.384 1.00 0.00 C ATOM 407 O ALA A 27 8.928 -11.484 -12.723 1.00 0.00 O ATOM 408 CB ALA A 27 10.106 -13.988 -12.135 1.00 0.00 C ATOM 0 H ALA A 27 12.382 -13.352 -13.163 1.00 0.00 H new ATOM 0 HA ALA A 27 9.672 -13.778 -14.219 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.068 -13.876 -11.823 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.344 -15.047 -12.230 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.760 -13.535 -11.390 1.00 0.00 H new ATOM 414 N LEU A 28 10.671 -10.970 -14.049 1.00 0.00 N ATOM 415 CA LEU A 28 10.396 -9.538 -14.042 1.00 0.00 C ATOM 416 C LEU A 28 9.642 -9.122 -15.301 1.00 0.00 C ATOM 417 O LEU A 28 8.528 -8.604 -15.227 1.00 0.00 O ATOM 418 CB LEU A 28 11.701 -8.748 -13.931 1.00 0.00 C ATOM 419 CG LEU A 28 12.190 -8.457 -12.511 1.00 0.00 C ATOM 420 CD1 LEU A 28 13.710 -8.477 -12.456 1.00 0.00 C ATOM 421 CD2 LEU A 28 11.655 -7.117 -12.027 1.00 0.00 C ATOM 0 H LEU A 28 11.486 -11.240 -14.600 1.00 0.00 H new ATOM 0 HA LEU A 28 9.771 -9.318 -13.177 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.481 -9.298 -14.457 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.573 -7.799 -14.452 1.00 0.00 H new ATOM 0 HG LEU A 28 11.812 -9.237 -11.850 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.040 -8.268 -11.438 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.072 -9.459 -12.761 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.108 -7.718 -13.130 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.013 -6.926 -11.015 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.003 -6.325 -12.690 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.565 -7.138 -12.028 1.00 0.00 H new ATOM 433 N ARG A 29 10.257 -9.354 -16.456 1.00 0.00 N ATOM 434 CA ARG A 29 9.644 -9.005 -17.732 1.00 0.00 C ATOM 435 C ARG A 29 8.267 -9.648 -17.868 1.00 0.00 C ATOM 436 O ARG A 29 7.353 -9.068 -18.456 1.00 0.00 O ATOM 437 CB ARG A 29 10.540 -9.444 -18.891 1.00 0.00 C ATOM 438 CG ARG A 29 11.031 -8.293 -19.752 1.00 0.00 C ATOM 439 CD ARG A 29 11.361 -8.753 -21.163 1.00 0.00 C ATOM 440 NE ARG A 29 12.300 -9.872 -21.168 1.00 0.00 N ATOM 441 CZ ARG A 29 13.614 -9.729 -21.031 1.00 0.00 C ATOM 442 NH1 ARG A 29 14.140 -8.522 -20.879 1.00 0.00 N ATOM 443 NH2 ARG A 29 14.404 -10.795 -21.046 1.00 0.00 N ATOM 0 H ARG A 29 11.179 -9.782 -16.534 1.00 0.00 H new ATOM 0 HA ARG A 29 9.525 -7.922 -17.764 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.401 -9.980 -18.491 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.991 -10.146 -19.518 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.268 -7.515 -19.791 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.916 -7.849 -19.297 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.443 -9.047 -21.672 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.785 -7.921 -21.726 1.00 0.00 H new ATOM 0 HE ARG A 29 11.927 -10.814 -21.283 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.536 -7.700 -20.867 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.149 -8.415 -20.774 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.003 -11.725 -21.163 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.412 -10.684 -20.941 1.00 0.00 H new ATOM 457 N THR A 30 8.125 -10.851 -17.320 1.00 0.00 N ATOM 458 CA THR A 30 6.861 -11.574 -17.381 1.00 0.00 C ATOM 459 C THR A 30 5.757 -10.814 -16.656 1.00 0.00 C ATOM 460 O THR A 30 4.571 -11.091 -16.844 1.00 0.00 O ATOM 461 CB THR A 30 6.988 -12.981 -16.767 1.00 0.00 C ATOM 462 OG1 THR A 30 5.800 -13.738 -17.025 1.00 0.00 O ATOM 463 CG2 THR A 30 7.227 -12.897 -15.267 1.00 0.00 C ATOM 0 H THR A 30 8.870 -11.345 -16.829 1.00 0.00 H new ATOM 0 HA THR A 30 6.602 -11.668 -18.436 1.00 0.00 H new ATOM 0 HB THR A 30 7.842 -13.479 -17.227 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.032 -13.132 -17.080 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.313 -13.903 -14.855 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.148 -12.346 -15.076 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.391 -12.382 -14.794 1.00 0.00 H new ATOM 471 N LEU A 31 6.152 -9.854 -15.827 1.00 0.00 N ATOM 472 CA LEU A 31 5.195 -9.052 -15.073 1.00 0.00 C ATOM 473 C LEU A 31 4.889 -7.745 -15.798 1.00 0.00 C ATOM 474 O LEU A 31 3.868 -7.107 -15.545 1.00 0.00 O ATOM 475 CB LEU A 31 5.737 -8.757 -13.673 1.00 0.00 C ATOM 476 CG LEU A 31 6.394 -9.932 -12.947 1.00 0.00 C ATOM 477 CD1 LEU A 31 7.142 -9.446 -11.716 1.00 0.00 C ATOM 478 CD2 LEU A 31 5.352 -10.972 -12.564 1.00 0.00 C ATOM 0 H LEU A 31 7.129 -9.612 -15.660 1.00 0.00 H new ATOM 0 HA LEU A 31 4.270 -9.623 -14.985 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.466 -7.950 -13.750 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.916 -8.388 -13.058 1.00 0.00 H new ATOM 0 HG LEU A 31 7.111 -10.398 -13.623 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.603 -10.295 -11.212 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.915 -8.738 -12.016 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.445 -8.956 -11.037 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.837 -11.801 -12.048 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.611 -10.519 -11.905 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.860 -11.342 -13.463 1.00 0.00 H new ATOM 490 N GLY A 32 5.781 -7.354 -16.703 1.00 0.00 N ATOM 491 CA GLY A 32 5.588 -6.126 -17.452 1.00 0.00 C ATOM 492 C GLY A 32 6.821 -5.245 -17.451 1.00 0.00 C ATOM 493 O GLY A 32 6.811 -4.150 -18.012 1.00 0.00 O ATOM 0 H GLY A 32 6.634 -7.866 -16.931 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.321 -6.370 -18.480 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.750 -5.573 -17.027 1.00 0.00 H new ATOM 497 N SER A 33 7.887 -5.724 -16.817 1.00 0.00 N ATOM 498 CA SER A 33 9.133 -4.970 -16.740 1.00 0.00 C ATOM 499 C SER A 33 9.685 -4.688 -18.134 1.00 0.00 C ATOM 500 O SER A 33 9.009 -4.911 -19.140 1.00 0.00 O ATOM 501 CB SER A 33 10.168 -5.736 -15.914 1.00 0.00 C ATOM 502 OG SER A 33 11.011 -6.512 -16.748 1.00 0.00 O ATOM 0 H SER A 33 7.913 -6.630 -16.350 1.00 0.00 H new ATOM 0 HA SER A 33 8.923 -4.018 -16.252 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.769 -5.034 -15.336 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.661 -6.384 -15.200 1.00 0.00 H new ATOM 0 HG SER A 33 11.941 -6.224 -16.632 1.00 0.00 H new ATOM 508 N THR A 34 10.919 -4.197 -18.187 1.00 0.00 N ATOM 509 CA THR A 34 11.563 -3.884 -19.456 1.00 0.00 C ATOM 510 C THR A 34 13.069 -4.112 -19.380 1.00 0.00 C ATOM 511 O THR A 34 13.648 -4.785 -20.232 1.00 0.00 O ATOM 512 CB THR A 34 11.297 -2.427 -19.877 1.00 0.00 C ATOM 513 OG1 THR A 34 10.282 -1.855 -19.045 1.00 0.00 O ATOM 514 CG2 THR A 34 10.865 -2.354 -21.334 1.00 0.00 C ATOM 0 H THR A 34 11.493 -4.007 -17.365 1.00 0.00 H new ATOM 0 HA THR A 34 11.134 -4.554 -20.201 1.00 0.00 H new ATOM 0 HB THR A 34 12.223 -1.864 -19.761 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.119 -0.928 -19.318 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.683 -1.315 -21.608 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.652 -2.764 -21.968 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.951 -2.931 -21.472 1.00 0.00 H new ATOM 522 N SER A 35 13.697 -3.546 -18.354 1.00 0.00 N ATOM 523 CA SER A 35 15.136 -3.685 -18.169 1.00 0.00 C ATOM 524 C SER A 35 15.462 -4.945 -17.372 1.00 0.00 C ATOM 525 O SER A 35 16.157 -4.888 -16.358 1.00 0.00 O ATOM 526 CB SER A 35 15.701 -2.456 -17.454 1.00 0.00 C ATOM 527 OG SER A 35 14.777 -1.947 -16.507 1.00 0.00 O ATOM 0 H SER A 35 13.232 -2.987 -17.639 1.00 0.00 H new ATOM 0 HA SER A 35 15.597 -3.768 -19.153 1.00 0.00 H new ATOM 0 HB2 SER A 35 16.632 -2.719 -16.953 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.940 -1.684 -18.185 1.00 0.00 H new ATOM 0 HG SER A 35 15.162 -1.163 -16.063 1.00 0.00 H new ATOM 533 N ALA A 36 14.955 -6.081 -17.839 1.00 0.00 N ATOM 534 CA ALA A 36 15.193 -7.355 -17.172 1.00 0.00 C ATOM 535 C ALA A 36 16.571 -7.908 -17.521 1.00 0.00 C ATOM 536 O ALA A 36 17.224 -8.541 -16.691 1.00 0.00 O ATOM 537 CB ALA A 36 14.110 -8.356 -17.546 1.00 0.00 C ATOM 0 H ALA A 36 14.377 -6.145 -18.677 1.00 0.00 H new ATOM 0 HA ALA A 36 15.160 -7.186 -16.096 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.300 -9.303 -17.041 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.137 -7.971 -17.241 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.116 -8.512 -18.625 1.00 0.00 H new ATOM 543 N ASP A 37 17.006 -7.666 -18.752 1.00 0.00 N ATOM 544 CA ASP A 37 18.307 -8.139 -19.210 1.00 0.00 C ATOM 545 C ASP A 37 19.435 -7.356 -18.547 1.00 0.00 C ATOM 546 O ASP A 37 20.567 -7.832 -18.461 1.00 0.00 O ATOM 547 CB ASP A 37 18.411 -8.018 -20.731 1.00 0.00 C ATOM 548 CG ASP A 37 19.615 -8.751 -21.289 1.00 0.00 C ATOM 549 OD1 ASP A 37 19.778 -9.949 -20.975 1.00 0.00 O ATOM 550 OD2 ASP A 37 20.395 -8.127 -22.039 1.00 0.00 O ATOM 0 H ASP A 37 16.477 -7.145 -19.451 1.00 0.00 H new ATOM 0 HA ASP A 37 18.404 -9.188 -18.929 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.504 -8.415 -21.187 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.471 -6.965 -21.006 1.00 0.00 H new ATOM 555 N GLU A 38 19.118 -6.152 -18.080 1.00 0.00 N ATOM 556 CA GLU A 38 20.106 -5.302 -17.427 1.00 0.00 C ATOM 557 C GLU A 38 20.762 -6.031 -16.257 1.00 0.00 C ATOM 558 O GLU A 38 21.925 -5.787 -15.933 1.00 0.00 O ATOM 559 CB GLU A 38 19.453 -4.009 -16.934 1.00 0.00 C ATOM 560 CG GLU A 38 19.185 -3.002 -18.040 1.00 0.00 C ATOM 561 CD GLU A 38 20.415 -2.193 -18.403 1.00 0.00 C ATOM 562 OE1 GLU A 38 21.507 -2.789 -18.509 1.00 0.00 O ATOM 563 OE2 GLU A 38 20.286 -0.964 -18.579 1.00 0.00 O ATOM 0 H GLU A 38 18.185 -5.744 -18.142 1.00 0.00 H new ATOM 0 HA GLU A 38 20.876 -5.056 -18.158 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.512 -4.252 -16.440 1.00 0.00 H new ATOM 0 HB3 GLU A 38 20.097 -3.550 -16.184 1.00 0.00 H new ATOM 0 HG2 GLU A 38 18.826 -3.527 -18.925 1.00 0.00 H new ATOM 0 HG3 GLU A 38 18.390 -2.326 -17.726 1.00 0.00 H new ATOM 570 N VAL A 39 20.008 -6.926 -15.627 1.00 0.00 N ATOM 571 CA VAL A 39 20.515 -7.691 -14.495 1.00 0.00 C ATOM 572 C VAL A 39 20.651 -9.169 -14.846 1.00 0.00 C ATOM 573 O VAL A 39 21.414 -9.899 -14.214 1.00 0.00 O ATOM 574 CB VAL A 39 19.598 -7.549 -13.266 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.176 -7.966 -13.610 1.00 0.00 C ATOM 576 CG2 VAL A 39 20.136 -8.369 -12.102 1.00 0.00 C ATOM 0 H VAL A 39 19.044 -7.139 -15.882 1.00 0.00 H new ATOM 0 HA VAL A 39 21.498 -7.286 -14.255 1.00 0.00 H new ATOM 0 HB VAL A 39 19.582 -6.501 -12.966 1.00 0.00 H new ATOM 0 HG11 VAL A 39 17.542 -7.859 -12.730 1.00 0.00 H new ATOM 0 HG12 VAL A 39 17.795 -7.332 -14.411 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.171 -9.006 -13.937 1.00 0.00 H new ATOM 0 HG21 VAL A 39 19.476 -8.257 -11.242 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.184 -9.420 -12.388 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.135 -8.018 -11.841 1.00 0.00 H new ATOM 586 N GLN A 40 19.906 -9.601 -15.858 1.00 0.00 N ATOM 587 CA GLN A 40 19.943 -10.992 -16.293 1.00 0.00 C ATOM 588 C GLN A 40 21.371 -11.426 -16.610 1.00 0.00 C ATOM 589 O GLN A 40 21.693 -12.613 -16.567 1.00 0.00 O ATOM 590 CB GLN A 40 19.054 -11.188 -17.523 1.00 0.00 C ATOM 591 CG GLN A 40 18.465 -12.585 -17.631 1.00 0.00 C ATOM 592 CD GLN A 40 19.157 -13.431 -18.682 1.00 0.00 C ATOM 593 OE1 GLN A 40 18.977 -13.222 -19.882 1.00 0.00 O ATOM 594 NE2 GLN A 40 19.956 -14.393 -18.235 1.00 0.00 N ATOM 0 H GLN A 40 19.270 -9.008 -16.392 1.00 0.00 H new ATOM 0 HA GLN A 40 19.567 -11.611 -15.478 1.00 0.00 H new ATOM 0 HB2 GLN A 40 18.242 -10.462 -17.494 1.00 0.00 H new ATOM 0 HB3 GLN A 40 19.637 -10.978 -18.420 1.00 0.00 H new ATOM 0 HG2 GLN A 40 18.539 -13.082 -16.664 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.404 -12.510 -17.871 1.00 0.00 H new ATOM 0 HE21 GLN A 40 20.076 -14.531 -17.232 1.00 0.00 H new ATOM 0 HE22 GLN A 40 20.450 -14.994 -18.895 1.00 0.00 H new ATOM 603 N ARG A 41 22.222 -10.456 -16.927 1.00 0.00 N ATOM 604 CA ARG A 41 23.615 -10.738 -17.252 1.00 0.00 C ATOM 605 C ARG A 41 24.553 -10.050 -16.264 1.00 0.00 C ATOM 606 O ARG A 41 25.772 -10.075 -16.431 1.00 0.00 O ATOM 607 CB ARG A 41 23.931 -10.278 -18.677 1.00 0.00 C ATOM 608 CG ARG A 41 23.758 -8.783 -18.887 1.00 0.00 C ATOM 609 CD ARG A 41 25.012 -8.154 -19.474 1.00 0.00 C ATOM 610 NE ARG A 41 24.698 -7.110 -20.446 1.00 0.00 N ATOM 611 CZ ARG A 41 25.600 -6.560 -21.251 1.00 0.00 C ATOM 612 NH1 ARG A 41 26.865 -6.953 -21.201 1.00 0.00 N ATOM 613 NH2 ARG A 41 25.237 -5.616 -22.109 1.00 0.00 N ATOM 0 H ARG A 41 21.971 -9.468 -16.966 1.00 0.00 H new ATOM 0 HA ARG A 41 23.768 -11.815 -17.183 1.00 0.00 H new ATOM 0 HB2 ARG A 41 24.957 -10.554 -18.920 1.00 0.00 H new ATOM 0 HB3 ARG A 41 23.284 -10.811 -19.374 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.914 -8.603 -19.553 1.00 0.00 H new ATOM 0 HG3 ARG A 41 23.521 -8.306 -17.936 1.00 0.00 H new ATOM 0 HD2 ARG A 41 25.616 -7.731 -18.671 1.00 0.00 H new ATOM 0 HD3 ARG A 41 25.614 -8.926 -19.953 1.00 0.00 H new ATOM 0 HE ARG A 41 23.733 -6.786 -20.510 1.00 0.00 H new ATOM 0 HH11 ARG A 41 27.148 -7.679 -20.543 1.00 0.00 H new ATOM 0 HH12 ARG A 41 27.556 -6.529 -21.820 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.264 -5.312 -22.151 1.00 0.00 H new ATOM 0 HH22 ARG A 41 25.930 -5.194 -22.727 1.00 0.00 H new ATOM 627 N MET A 42 23.976 -9.438 -15.236 1.00 0.00 N ATOM 628 CA MET A 42 24.761 -8.744 -14.221 1.00 0.00 C ATOM 629 C MET A 42 24.218 -9.030 -12.825 1.00 0.00 C ATOM 630 O MET A 42 24.356 -8.212 -11.916 1.00 0.00 O ATOM 631 CB MET A 42 24.757 -7.237 -14.484 1.00 0.00 C ATOM 632 CG MET A 42 25.032 -6.873 -15.934 1.00 0.00 C ATOM 633 SD MET A 42 26.015 -5.370 -16.099 1.00 0.00 S ATOM 634 CE MET A 42 24.845 -4.137 -15.533 1.00 0.00 C ATOM 0 H MET A 42 22.968 -9.408 -15.083 1.00 0.00 H new ATOM 0 HA MET A 42 25.786 -9.112 -14.276 1.00 0.00 H new ATOM 0 HB2 MET A 42 23.790 -6.828 -14.192 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.507 -6.764 -13.850 1.00 0.00 H new ATOM 0 HG2 MET A 42 25.553 -7.698 -16.419 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.085 -6.742 -16.458 1.00 0.00 H new ATOM 0 HE1 MET A 42 25.307 -3.151 -15.576 1.00 0.00 H new ATOM 0 HE2 MET A 42 23.962 -4.153 -16.172 1.00 0.00 H new ATOM 0 HE3 MET A 42 24.553 -4.356 -14.506 1.00 0.00 H new ATOM 644 N MET A 43 23.599 -10.195 -12.662 1.00 0.00 N ATOM 645 CA MET A 43 23.037 -10.588 -11.375 1.00 0.00 C ATOM 646 C MET A 43 24.107 -11.200 -10.478 1.00 0.00 C ATOM 647 O MET A 43 23.894 -11.387 -9.280 1.00 0.00 O ATOM 648 CB MET A 43 21.893 -11.584 -11.577 1.00 0.00 C ATOM 649 CG MET A 43 22.352 -12.942 -12.083 1.00 0.00 C ATOM 650 SD MET A 43 20.981 -13.979 -12.627 1.00 0.00 S ATOM 651 CE MET A 43 21.728 -15.605 -12.528 1.00 0.00 C ATOM 0 H MET A 43 23.474 -10.883 -13.405 1.00 0.00 H new ATOM 0 HA MET A 43 22.649 -9.693 -10.888 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.366 -11.717 -10.632 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.178 -11.165 -12.284 1.00 0.00 H new ATOM 0 HG2 MET A 43 23.047 -12.801 -12.911 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.899 -13.455 -11.292 1.00 0.00 H new ATOM 0 HE1 MET A 43 21.305 -16.247 -13.300 1.00 0.00 H new ATOM 0 HE2 MET A 43 22.805 -15.520 -12.676 1.00 0.00 H new ATOM 0 HE3 MET A 43 21.529 -16.038 -11.547 1.00 0.00 H new ATOM 661 N ALA A 44 25.258 -11.511 -11.065 1.00 0.00 N ATOM 662 CA ALA A 44 26.362 -12.101 -10.318 1.00 0.00 C ATOM 663 C ALA A 44 27.486 -11.092 -10.111 1.00 0.00 C ATOM 664 O ALA A 44 28.532 -11.421 -9.553 1.00 0.00 O ATOM 665 CB ALA A 44 26.884 -13.337 -11.035 1.00 0.00 C ATOM 0 H ALA A 44 25.450 -11.364 -12.056 1.00 0.00 H new ATOM 0 HA ALA A 44 25.988 -12.395 -9.337 1.00 0.00 H new ATOM 0 HB1 ALA A 44 27.708 -13.767 -10.466 1.00 0.00 H new ATOM 0 HB2 ALA A 44 26.083 -14.071 -11.125 1.00 0.00 H new ATOM 0 HB3 ALA A 44 27.235 -13.060 -12.029 1.00 0.00 H new ATOM 671 N GLU A 45 27.263 -9.863 -10.566 1.00 0.00 N ATOM 672 CA GLU A 45 28.260 -8.807 -10.431 1.00 0.00 C ATOM 673 C GLU A 45 27.718 -7.651 -9.595 1.00 0.00 C ATOM 674 O GLU A 45 28.457 -6.735 -9.232 1.00 0.00 O ATOM 675 CB GLU A 45 28.685 -8.299 -11.810 1.00 0.00 C ATOM 676 CG GLU A 45 27.613 -7.485 -12.516 1.00 0.00 C ATOM 677 CD GLU A 45 28.047 -7.018 -13.892 1.00 0.00 C ATOM 678 OE1 GLU A 45 28.088 -7.856 -14.817 1.00 0.00 O ATOM 679 OE2 GLU A 45 28.346 -5.815 -14.044 1.00 0.00 O ATOM 0 H GLU A 45 26.402 -9.574 -11.031 1.00 0.00 H new ATOM 0 HA GLU A 45 29.129 -9.224 -9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 45 29.581 -7.688 -11.702 1.00 0.00 H new ATOM 0 HB3 GLU A 45 28.953 -9.151 -12.435 1.00 0.00 H new ATOM 0 HG2 GLU A 45 26.708 -8.086 -12.609 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.359 -6.618 -11.906 1.00 0.00 H new ATOM 686 N ILE A 46 26.425 -7.701 -9.295 1.00 0.00 N ATOM 687 CA ILE A 46 25.785 -6.659 -8.502 1.00 0.00 C ATOM 688 C ILE A 46 26.018 -6.881 -7.011 1.00 0.00 C ATOM 689 O ILE A 46 26.041 -5.931 -6.228 1.00 0.00 O ATOM 690 CB ILE A 46 24.269 -6.600 -8.769 1.00 0.00 C ATOM 691 CG1 ILE A 46 23.673 -8.009 -8.768 1.00 0.00 C ATOM 692 CG2 ILE A 46 23.992 -5.902 -10.093 1.00 0.00 C ATOM 693 CD1 ILE A 46 22.334 -8.098 -8.071 1.00 0.00 C ATOM 0 H ILE A 46 25.800 -8.452 -9.589 1.00 0.00 H new ATOM 0 HA ILE A 46 26.236 -5.713 -8.801 1.00 0.00 H new ATOM 0 HB ILE A 46 23.796 -6.026 -7.972 1.00 0.00 H new ATOM 0 HG12 ILE A 46 23.561 -8.348 -9.798 1.00 0.00 H new ATOM 0 HG13 ILE A 46 24.372 -8.690 -8.283 1.00 0.00 H new ATOM 0 HG21 ILE A 46 22.917 -5.868 -10.268 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.387 -4.886 -10.058 1.00 0.00 H new ATOM 0 HG23 ILE A 46 24.474 -6.451 -10.902 1.00 0.00 H new ATOM 0 HD11 ILE A 46 21.972 -9.125 -8.109 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.444 -7.790 -7.031 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.620 -7.443 -8.570 1.00 0.00 H new ATOM 705 N ASP A 47 26.192 -8.141 -6.627 1.00 0.00 N ATOM 706 CA ASP A 47 26.428 -8.488 -5.230 1.00 0.00 C ATOM 707 C ASP A 47 26.567 -9.998 -5.061 1.00 0.00 C ATOM 708 O ASP A 47 27.495 -10.478 -4.409 1.00 0.00 O ATOM 709 CB ASP A 47 25.287 -7.967 -4.354 1.00 0.00 C ATOM 710 CG ASP A 47 25.787 -7.168 -3.167 1.00 0.00 C ATOM 711 OD1 ASP A 47 26.422 -7.766 -2.274 1.00 0.00 O ATOM 712 OD2 ASP A 47 25.543 -5.943 -3.131 1.00 0.00 O ATOM 0 H ASP A 47 26.174 -8.938 -7.263 1.00 0.00 H new ATOM 0 HA ASP A 47 27.360 -8.018 -4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 47 24.626 -7.343 -4.956 1.00 0.00 H new ATOM 0 HB3 ASP A 47 24.693 -8.809 -3.998 1.00 0.00 H new ATOM 717 N THR A 48 25.638 -10.742 -5.653 1.00 0.00 N ATOM 718 CA THR A 48 25.656 -12.197 -5.567 1.00 0.00 C ATOM 719 C THR A 48 27.038 -12.751 -5.893 1.00 0.00 C ATOM 720 O THR A 48 27.590 -12.480 -6.959 1.00 0.00 O ATOM 721 CB THR A 48 24.624 -12.829 -6.520 1.00 0.00 C ATOM 722 OG1 THR A 48 23.308 -12.369 -6.193 1.00 0.00 O ATOM 723 CG2 THR A 48 24.671 -14.347 -6.439 1.00 0.00 C ATOM 0 H THR A 48 24.864 -10.361 -6.197 1.00 0.00 H new ATOM 0 HA THR A 48 25.398 -12.455 -4.540 1.00 0.00 H new ATOM 0 HB THR A 48 24.871 -12.528 -7.538 1.00 0.00 H new ATOM 0 HG1 THR A 48 22.930 -11.888 -6.959 1.00 0.00 H new ATOM 0 HG21 THR A 48 23.934 -14.771 -7.121 1.00 0.00 H new ATOM 0 HG22 THR A 48 25.665 -14.696 -6.718 1.00 0.00 H new ATOM 0 HG23 THR A 48 24.448 -14.664 -5.420 1.00 0.00 H new ATOM 731 N ASP A 49 27.592 -13.527 -4.968 1.00 0.00 N ATOM 732 CA ASP A 49 28.910 -14.121 -5.158 1.00 0.00 C ATOM 733 C ASP A 49 28.905 -15.090 -6.336 1.00 0.00 C ATOM 734 O ASP A 49 29.875 -15.175 -7.088 1.00 0.00 O ATOM 735 CB ASP A 49 29.355 -14.846 -3.887 1.00 0.00 C ATOM 736 CG ASP A 49 30.864 -14.890 -3.743 1.00 0.00 C ATOM 737 OD1 ASP A 49 31.460 -13.839 -3.425 1.00 0.00 O ATOM 738 OD2 ASP A 49 31.448 -15.974 -3.949 1.00 0.00 O ATOM 0 H ASP A 49 27.149 -13.759 -4.079 1.00 0.00 H new ATOM 0 HA ASP A 49 29.615 -13.318 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 49 28.925 -14.348 -3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 49 28.964 -15.863 -3.897 1.00 0.00 H new ATOM 743 N GLY A 50 27.805 -15.821 -6.490 1.00 0.00 N ATOM 744 CA GLY A 50 27.694 -16.776 -7.577 1.00 0.00 C ATOM 745 C GLY A 50 26.702 -17.882 -7.279 1.00 0.00 C ATOM 746 O GLY A 50 26.230 -18.564 -8.189 1.00 0.00 O ATOM 0 H GLY A 50 26.988 -15.769 -5.881 1.00 0.00 H new ATOM 0 HA2 GLY A 50 27.390 -16.255 -8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 50 28.673 -17.214 -7.773 1.00 0.00 H new ATOM 750 N ASP A 51 26.386 -18.062 -6.001 1.00 0.00 N ATOM 751 CA ASP A 51 25.444 -19.095 -5.585 1.00 0.00 C ATOM 752 C ASP A 51 24.166 -19.031 -6.415 1.00 0.00 C ATOM 753 O ASP A 51 23.661 -20.054 -6.876 1.00 0.00 O ATOM 754 CB ASP A 51 25.110 -18.942 -4.100 1.00 0.00 C ATOM 755 CG ASP A 51 24.508 -20.201 -3.509 1.00 0.00 C ATOM 756 OD1 ASP A 51 25.171 -21.257 -3.562 1.00 0.00 O ATOM 757 OD2 ASP A 51 23.372 -20.131 -2.994 1.00 0.00 O ATOM 0 H ASP A 51 26.768 -17.506 -5.236 1.00 0.00 H new ATOM 0 HA ASP A 51 25.913 -20.066 -5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 51 26.016 -18.684 -3.552 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.413 -18.114 -3.971 1.00 0.00 H new ATOM 762 N GLY A 52 23.647 -17.821 -6.602 1.00 0.00 N ATOM 763 CA GLY A 52 22.432 -17.647 -7.376 1.00 0.00 C ATOM 764 C GLY A 52 21.250 -17.244 -6.517 1.00 0.00 C ATOM 765 O GLY A 52 20.098 -17.450 -6.898 1.00 0.00 O ATOM 0 H GLY A 52 24.046 -16.959 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.597 -16.888 -8.140 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.200 -18.577 -7.895 1.00 0.00 H new ATOM 769 N PHE A 53 21.535 -16.671 -5.353 1.00 0.00 N ATOM 770 CA PHE A 53 20.486 -16.241 -4.435 1.00 0.00 C ATOM 771 C PHE A 53 20.894 -14.966 -3.702 1.00 0.00 C ATOM 772 O PHE A 53 22.041 -14.527 -3.790 1.00 0.00 O ATOM 773 CB PHE A 53 20.179 -17.348 -3.424 1.00 0.00 C ATOM 774 CG PHE A 53 19.686 -18.618 -4.057 1.00 0.00 C ATOM 775 CD1 PHE A 53 20.579 -19.535 -4.587 1.00 0.00 C ATOM 776 CD2 PHE A 53 18.330 -18.895 -4.121 1.00 0.00 C ATOM 777 CE1 PHE A 53 20.130 -20.705 -5.170 1.00 0.00 C ATOM 778 CE2 PHE A 53 17.875 -20.063 -4.702 1.00 0.00 C ATOM 779 CZ PHE A 53 18.775 -20.968 -5.228 1.00 0.00 C ATOM 0 H PHE A 53 22.483 -16.493 -5.022 1.00 0.00 H new ATOM 0 HA PHE A 53 19.589 -16.032 -5.019 1.00 0.00 H new ATOM 0 HB2 PHE A 53 21.079 -17.564 -2.849 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.429 -16.988 -2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 53 21.639 -19.333 -4.544 1.00 0.00 H new ATOM 0 HD2 PHE A 53 17.621 -18.190 -3.712 1.00 0.00 H new ATOM 0 HE1 PHE A 53 20.837 -21.412 -5.579 1.00 0.00 H new ATOM 0 HE2 PHE A 53 16.815 -20.268 -4.745 1.00 0.00 H new ATOM 0 HZ PHE A 53 18.420 -21.880 -5.684 1.00 0.00 H new ATOM 789 N ILE A 54 19.946 -14.377 -2.981 1.00 0.00 N ATOM 790 CA ILE A 54 20.205 -13.153 -2.233 1.00 0.00 C ATOM 791 C ILE A 54 19.250 -13.018 -1.052 1.00 0.00 C ATOM 792 O ILE A 54 18.046 -13.236 -1.186 1.00 0.00 O ATOM 793 CB ILE A 54 20.076 -11.907 -3.129 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.878 -12.051 -4.070 1.00 0.00 C ATOM 795 CG2 ILE A 54 21.356 -11.690 -3.922 1.00 0.00 C ATOM 796 CD1 ILE A 54 18.662 -10.848 -4.961 1.00 0.00 C ATOM 0 H ILE A 54 18.992 -14.728 -2.899 1.00 0.00 H new ATOM 0 HA ILE A 54 21.228 -13.220 -1.864 1.00 0.00 H new ATOM 0 HB ILE A 54 19.913 -11.036 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 54 19.020 -12.934 -4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.979 -12.220 -3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 54 21.249 -10.806 -4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 54 22.190 -11.548 -3.235 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.547 -12.560 -4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.797 -11.020 -5.601 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.488 -9.966 -4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.545 -10.690 -5.580 1.00 0.00 H new ATOM 808 N ASP A 55 19.795 -12.654 0.103 1.00 0.00 N ATOM 809 CA ASP A 55 18.991 -12.486 1.308 1.00 0.00 C ATOM 810 C ASP A 55 18.120 -11.237 1.211 1.00 0.00 C ATOM 811 O ASP A 55 16.902 -11.328 1.057 1.00 0.00 O ATOM 812 CB ASP A 55 19.893 -12.399 2.541 1.00 0.00 C ATOM 813 CG ASP A 55 19.137 -11.963 3.781 1.00 0.00 C ATOM 814 OD1 ASP A 55 18.125 -12.612 4.118 1.00 0.00 O ATOM 815 OD2 ASP A 55 19.559 -10.973 4.415 1.00 0.00 O ATOM 0 H ASP A 55 20.790 -12.470 0.231 1.00 0.00 H new ATOM 0 HA ASP A 55 18.340 -13.355 1.404 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.352 -13.371 2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.703 -11.696 2.346 1.00 0.00 H new ATOM 820 N PHE A 56 18.753 -10.072 1.301 1.00 0.00 N ATOM 821 CA PHE A 56 18.035 -8.805 1.225 1.00 0.00 C ATOM 822 C PHE A 56 18.970 -7.675 0.803 1.00 0.00 C ATOM 823 O PHE A 56 18.684 -6.937 -0.139 1.00 0.00 O ATOM 824 CB PHE A 56 17.395 -8.475 2.575 1.00 0.00 C ATOM 825 CG PHE A 56 16.581 -7.213 2.560 1.00 0.00 C ATOM 826 CD1 PHE A 56 15.701 -6.952 1.522 1.00 0.00 C ATOM 827 CD2 PHE A 56 16.694 -6.287 3.585 1.00 0.00 C ATOM 828 CE1 PHE A 56 14.952 -5.792 1.505 1.00 0.00 C ATOM 829 CE2 PHE A 56 15.947 -5.125 3.574 1.00 0.00 C ATOM 830 CZ PHE A 56 15.074 -4.877 2.533 1.00 0.00 C ATOM 0 H PHE A 56 19.761 -9.979 1.427 1.00 0.00 H new ATOM 0 HA PHE A 56 17.251 -8.905 0.474 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.758 -9.305 2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.179 -8.383 3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 56 15.600 -7.664 0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 56 17.374 -6.476 4.402 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.271 -5.600 0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 56 16.046 -4.411 4.379 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.488 -3.970 2.523 1.00 0.00 H new ATOM 840 N ASN A 57 20.089 -7.547 1.509 1.00 0.00 N ATOM 841 CA ASN A 57 21.067 -6.506 1.209 1.00 0.00 C ATOM 842 C ASN A 57 21.501 -6.573 -0.252 1.00 0.00 C ATOM 843 O ASN A 57 21.569 -5.553 -0.936 1.00 0.00 O ATOM 844 CB ASN A 57 22.286 -6.645 2.122 1.00 0.00 C ATOM 845 CG ASN A 57 22.783 -5.306 2.630 1.00 0.00 C ATOM 846 OD1 ASN A 57 23.932 -4.929 2.399 1.00 0.00 O ATOM 847 ND2 ASN A 57 21.918 -4.579 3.327 1.00 0.00 N ATOM 0 H ASN A 57 20.341 -8.150 2.292 1.00 0.00 H new ATOM 0 HA ASN A 57 20.598 -5.538 1.386 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.031 -7.280 2.970 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.088 -7.145 1.579 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.196 -3.669 3.695 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.975 -4.930 3.495 1.00 0.00 H new ATOM 854 N GLU A 58 21.793 -7.782 -0.722 1.00 0.00 N ATOM 855 CA GLU A 58 22.221 -7.981 -2.102 1.00 0.00 C ATOM 856 C GLU A 58 21.051 -7.804 -3.066 1.00 0.00 C ATOM 857 O GLU A 58 21.244 -7.516 -4.247 1.00 0.00 O ATOM 858 CB GLU A 58 22.831 -9.374 -2.274 1.00 0.00 C ATOM 859 CG GLU A 58 24.147 -9.557 -1.536 1.00 0.00 C ATOM 860 CD GLU A 58 24.106 -10.707 -0.548 1.00 0.00 C ATOM 861 OE1 GLU A 58 23.475 -11.737 -0.864 1.00 0.00 O ATOM 862 OE2 GLU A 58 24.705 -10.576 0.540 1.00 0.00 O ATOM 0 H GLU A 58 21.741 -8.637 -0.168 1.00 0.00 H new ATOM 0 HA GLU A 58 22.976 -7.230 -2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 58 22.119 -10.120 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 58 22.990 -9.563 -3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 58 24.944 -9.732 -2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 58 24.394 -8.637 -1.007 1.00 0.00 H new ATOM 869 N PHE A 59 19.838 -7.978 -2.552 1.00 0.00 N ATOM 870 CA PHE A 59 18.636 -7.839 -3.366 1.00 0.00 C ATOM 871 C PHE A 59 18.307 -6.368 -3.603 1.00 0.00 C ATOM 872 O PHE A 59 17.838 -5.991 -4.678 1.00 0.00 O ATOM 873 CB PHE A 59 17.453 -8.535 -2.690 1.00 0.00 C ATOM 874 CG PHE A 59 16.117 -8.011 -3.132 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.554 -8.429 -4.327 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.423 -7.099 -2.352 1.00 0.00 C ATOM 877 CE1 PHE A 59 14.325 -7.948 -4.736 1.00 0.00 C ATOM 878 CE2 PHE A 59 14.193 -6.614 -2.756 1.00 0.00 C ATOM 879 CZ PHE A 59 13.643 -7.040 -3.949 1.00 0.00 C ATOM 0 H PHE A 59 19.661 -8.215 -1.576 1.00 0.00 H new ATOM 0 HA PHE A 59 18.824 -8.311 -4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.503 -9.604 -2.899 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.541 -8.417 -1.610 1.00 0.00 H new ATOM 0 HD1 PHE A 59 16.082 -9.139 -4.946 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.848 -6.763 -1.418 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.898 -8.282 -5.670 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.663 -5.903 -2.140 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.682 -6.664 -4.266 1.00 0.00 H new ATOM 889 N ILE A 60 18.556 -5.542 -2.593 1.00 0.00 N ATOM 890 CA ILE A 60 18.287 -4.112 -2.691 1.00 0.00 C ATOM 891 C ILE A 60 19.384 -3.399 -3.474 1.00 0.00 C ATOM 892 O ILE A 60 19.160 -2.331 -4.043 1.00 0.00 O ATOM 893 CB ILE A 60 18.162 -3.466 -1.299 1.00 0.00 C ATOM 894 CG1 ILE A 60 16.999 -4.090 -0.525 1.00 0.00 C ATOM 895 CG2 ILE A 60 17.973 -1.962 -1.428 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.639 -3.725 -1.079 1.00 0.00 C ATOM 0 H ILE A 60 18.944 -5.838 -1.697 1.00 0.00 H new ATOM 0 HA ILE A 60 17.339 -4.004 -3.218 1.00 0.00 H new ATOM 0 HB ILE A 60 19.083 -3.651 -0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 60 17.107 -5.175 -0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 60 17.055 -3.773 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.886 -1.520 -0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.831 -1.530 -1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.066 -1.757 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.863 -4.202 -0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.510 -2.643 -1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.563 -4.066 -2.111 1.00 0.00 H new ATOM 908 N SER A 61 20.570 -3.998 -3.500 1.00 0.00 N ATOM 909 CA SER A 61 21.703 -3.419 -4.212 1.00 0.00 C ATOM 910 C SER A 61 21.391 -3.265 -5.697 1.00 0.00 C ATOM 911 O SER A 61 21.980 -2.429 -6.384 1.00 0.00 O ATOM 912 CB SER A 61 22.947 -4.292 -4.029 1.00 0.00 C ATOM 913 OG SER A 61 23.637 -3.953 -2.838 1.00 0.00 O ATOM 0 H SER A 61 20.771 -4.884 -3.036 1.00 0.00 H new ATOM 0 HA SER A 61 21.896 -2.431 -3.795 1.00 0.00 H new ATOM 0 HB2 SER A 61 22.657 -5.342 -3.999 1.00 0.00 H new ATOM 0 HB3 SER A 61 23.611 -4.169 -4.885 1.00 0.00 H new ATOM 0 HG SER A 61 24.408 -4.547 -2.726 1.00 0.00 H new ATOM 919 N PHE A 62 20.459 -4.076 -6.186 1.00 0.00 N ATOM 920 CA PHE A 62 20.067 -4.031 -7.590 1.00 0.00 C ATOM 921 C PHE A 62 18.743 -3.293 -7.762 1.00 0.00 C ATOM 922 O PHE A 62 18.406 -2.848 -8.860 1.00 0.00 O ATOM 923 CB PHE A 62 19.951 -5.449 -8.155 1.00 0.00 C ATOM 924 CG PHE A 62 18.623 -5.732 -8.796 1.00 0.00 C ATOM 925 CD1 PHE A 62 17.541 -6.134 -8.031 1.00 0.00 C ATOM 926 CD2 PHE A 62 18.457 -5.596 -10.165 1.00 0.00 C ATOM 927 CE1 PHE A 62 16.317 -6.395 -8.618 1.00 0.00 C ATOM 928 CE2 PHE A 62 17.236 -5.855 -10.758 1.00 0.00 C ATOM 929 CZ PHE A 62 16.165 -6.256 -9.983 1.00 0.00 C ATOM 0 H PHE A 62 19.961 -4.772 -5.631 1.00 0.00 H new ATOM 0 HA PHE A 62 20.838 -3.490 -8.139 1.00 0.00 H new ATOM 0 HB2 PHE A 62 20.741 -5.604 -8.890 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.118 -6.166 -7.352 1.00 0.00 H new ATOM 0 HD1 PHE A 62 17.655 -6.245 -6.963 1.00 0.00 H new ATOM 0 HD2 PHE A 62 19.291 -5.284 -10.776 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.481 -6.707 -8.010 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.119 -5.744 -11.826 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.210 -6.460 -10.444 1.00 0.00 H new ATOM 939 N CYS A 63 17.996 -3.169 -6.671 1.00 0.00 N ATOM 940 CA CYS A 63 16.707 -2.487 -6.700 1.00 0.00 C ATOM 941 C CYS A 63 16.886 -0.980 -6.540 1.00 0.00 C ATOM 942 O CYS A 63 16.280 -0.363 -5.665 1.00 0.00 O ATOM 943 CB CYS A 63 15.797 -3.024 -5.595 1.00 0.00 C ATOM 944 SG CYS A 63 15.291 -4.745 -5.827 1.00 0.00 S ATOM 0 H CYS A 63 18.261 -3.532 -5.755 1.00 0.00 H new ATOM 0 HA CYS A 63 16.244 -2.680 -7.668 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.312 -2.934 -4.639 1.00 0.00 H new ATOM 0 HB3 CYS A 63 14.906 -2.399 -5.537 1.00 0.00 H new ATOM 0 HG CYS A 63 15.982 -5.274 -6.793 1.00 0.00 H new ATOM 950 N ASN A 64 17.722 -0.395 -7.391 1.00 0.00 N ATOM 951 CA ASN A 64 17.983 1.039 -7.343 1.00 0.00 C ATOM 952 C ASN A 64 16.679 1.830 -7.382 1.00 0.00 C ATOM 953 O ASN A 64 16.533 2.840 -6.694 1.00 0.00 O ATOM 954 CB ASN A 64 18.880 1.455 -8.511 1.00 0.00 C ATOM 955 CG ASN A 64 20.204 0.715 -8.515 1.00 0.00 C ATOM 956 OD1 ASN A 64 20.476 -0.088 -9.408 1.00 0.00 O ATOM 957 ND2 ASN A 64 21.034 0.983 -7.514 1.00 0.00 N ATOM 0 H ASN A 64 18.231 -0.892 -8.122 1.00 0.00 H new ATOM 0 HA ASN A 64 18.494 1.259 -6.405 1.00 0.00 H new ATOM 0 HB2 ASN A 64 18.359 1.268 -9.450 1.00 0.00 H new ATOM 0 HB3 ASN A 64 19.066 2.528 -8.458 1.00 0.00 H new ATOM 0 HD21 ASN A 64 21.939 0.516 -7.463 1.00 0.00 H new ATOM 0 HD22 ASN A 64 20.766 1.656 -6.796 1.00 0.00 H new ATOM 964 N ALA A 65 15.734 1.363 -8.192 1.00 0.00 N ATOM 965 CA ALA A 65 14.441 2.025 -8.318 1.00 0.00 C ATOM 966 C ALA A 65 14.611 3.495 -8.687 1.00 0.00 C ATOM 967 O ALA A 65 13.768 4.328 -8.358 1.00 0.00 O ATOM 968 CB ALA A 65 13.650 1.891 -7.025 1.00 0.00 C ATOM 0 H ALA A 65 15.840 0.529 -8.770 1.00 0.00 H new ATOM 0 HA ALA A 65 13.888 1.537 -9.121 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.687 2.390 -7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.489 0.836 -6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.207 2.351 -6.209 1.00 0.00 H new ATOM 974 N ASN A 66 15.707 3.805 -9.372 1.00 0.00 N ATOM 975 CA ASN A 66 15.987 5.176 -9.784 1.00 0.00 C ATOM 976 C ASN A 66 15.171 5.551 -11.017 1.00 0.00 C ATOM 977 O ASN A 66 14.310 6.430 -10.978 1.00 0.00 O ATOM 978 CB ASN A 66 17.480 5.348 -10.075 1.00 0.00 C ATOM 979 CG ASN A 66 18.203 6.089 -8.967 1.00 0.00 C ATOM 980 OD1 ASN A 66 18.907 7.067 -9.217 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.032 5.624 -7.735 1.00 0.00 N ATOM 0 H ASN A 66 16.415 3.127 -9.653 1.00 0.00 H new ATOM 0 HA ASN A 66 15.704 5.840 -8.967 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.936 4.367 -10.211 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.605 5.890 -11.012 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.494 6.081 -6.949 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.439 4.810 -7.575 1.00 0.00 H new ATOM 988 N PRO A 67 15.446 4.869 -12.139 1.00 0.00 N ATOM 989 CA PRO A 67 14.748 5.112 -13.404 1.00 0.00 C ATOM 990 C PRO A 67 13.295 4.650 -13.363 1.00 0.00 C ATOM 991 O PRO A 67 12.513 4.948 -14.265 1.00 0.00 O ATOM 992 CB PRO A 67 15.544 4.282 -14.414 1.00 0.00 C ATOM 993 CG PRO A 67 16.174 3.202 -13.604 1.00 0.00 C ATOM 994 CD PRO A 67 16.460 3.808 -12.258 1.00 0.00 C ATOM 0 HA PRO A 67 14.702 6.174 -13.646 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.895 3.870 -15.187 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.296 4.888 -14.919 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.508 2.344 -13.512 1.00 0.00 H new ATOM 0 HG3 PRO A 67 17.090 2.845 -14.074 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.368 3.073 -11.459 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.471 4.211 -12.205 1.00 0.00 H new ATOM 1002 N GLY A 68 12.941 3.920 -12.309 1.00 0.00 N ATOM 1003 CA GLY A 68 11.582 3.429 -12.170 1.00 0.00 C ATOM 1004 C GLY A 68 11.453 1.966 -12.547 1.00 0.00 C ATOM 1005 O GLY A 68 10.381 1.514 -12.951 1.00 0.00 O ATOM 0 H GLY A 68 13.571 3.660 -11.550 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.253 3.566 -11.140 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.918 4.023 -12.798 1.00 0.00 H new ATOM 1009 N LEU A 69 12.548 1.225 -12.416 1.00 0.00 N ATOM 1010 CA LEU A 69 12.553 -0.196 -12.746 1.00 0.00 C ATOM 1011 C LEU A 69 11.904 -1.016 -11.636 1.00 0.00 C ATOM 1012 O LEU A 69 11.383 -2.104 -11.879 1.00 0.00 O ATOM 1013 CB LEU A 69 13.986 -0.679 -12.982 1.00 0.00 C ATOM 1014 CG LEU A 69 14.906 -0.673 -11.761 1.00 0.00 C ATOM 1015 CD1 LEU A 69 15.561 -2.033 -11.580 1.00 0.00 C ATOM 1016 CD2 LEU A 69 15.960 0.416 -11.893 1.00 0.00 C ATOM 0 H LEU A 69 13.443 1.584 -12.084 1.00 0.00 H new ATOM 0 HA LEU A 69 11.974 -0.334 -13.659 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.946 -1.694 -13.376 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.436 -0.055 -13.754 1.00 0.00 H new ATOM 0 HG LEU A 69 14.304 -0.462 -10.877 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.212 -2.010 -10.706 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.791 -2.792 -11.439 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.150 -2.274 -12.465 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.606 0.406 -11.015 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.559 0.237 -12.786 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.472 1.387 -11.973 1.00 0.00 H new ATOM 1028 N MET A 70 11.938 -0.485 -10.418 1.00 0.00 N ATOM 1029 CA MET A 70 11.349 -1.167 -9.271 1.00 0.00 C ATOM 1030 C MET A 70 10.214 -0.343 -8.673 1.00 0.00 C ATOM 1031 O MET A 70 9.339 -0.876 -7.990 1.00 0.00 O ATOM 1032 CB MET A 70 12.416 -1.435 -8.208 1.00 0.00 C ATOM 1033 CG MET A 70 13.615 -2.209 -8.732 1.00 0.00 C ATOM 1034 SD MET A 70 13.354 -3.993 -8.712 1.00 0.00 S ATOM 1035 CE MET A 70 12.984 -4.300 -10.438 1.00 0.00 C ATOM 0 H MET A 70 12.367 0.414 -10.200 1.00 0.00 H new ATOM 0 HA MET A 70 10.942 -2.118 -9.614 1.00 0.00 H new ATOM 0 HB2 MET A 70 12.758 -0.484 -7.800 1.00 0.00 H new ATOM 0 HB3 MET A 70 11.966 -1.991 -7.385 1.00 0.00 H new ATOM 0 HG2 MET A 70 13.832 -1.889 -9.751 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.490 -1.967 -8.129 1.00 0.00 H new ATOM 0 HE1 MET A 70 11.981 -4.718 -10.526 1.00 0.00 H new ATOM 0 HE2 MET A 70 13.037 -3.364 -10.994 1.00 0.00 H new ATOM 0 HE3 MET A 70 13.708 -5.005 -10.846 1.00 0.00 H new ATOM 1045 N LYS A 71 10.234 0.960 -8.933 1.00 0.00 N ATOM 1046 CA LYS A 71 9.206 1.859 -8.421 1.00 0.00 C ATOM 1047 C LYS A 71 7.912 1.715 -9.217 1.00 0.00 C ATOM 1048 O LYS A 71 6.843 2.115 -8.757 1.00 0.00 O ATOM 1049 CB LYS A 71 9.693 3.308 -8.476 1.00 0.00 C ATOM 1050 CG LYS A 71 8.651 4.318 -8.026 1.00 0.00 C ATOM 1051 CD LYS A 71 7.894 4.902 -9.207 1.00 0.00 C ATOM 1052 CE LYS A 71 6.467 5.267 -8.828 1.00 0.00 C ATOM 1053 NZ LYS A 71 5.923 6.350 -9.694 1.00 0.00 N ATOM 0 H LYS A 71 10.951 1.417 -9.496 1.00 0.00 H new ATOM 0 HA LYS A 71 9.006 1.589 -7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.579 3.409 -7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.997 3.542 -9.496 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.949 3.838 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.137 5.121 -7.471 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.413 5.789 -9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.882 4.182 -10.025 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.833 4.384 -8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.438 5.586 -7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.949 6.570 -9.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.513 7.201 -9.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.927 6.036 -10.686 1.00 0.00 H new ATOM 1067 N ASP A 72 8.018 1.142 -10.410 1.00 0.00 N ATOM 1068 CA ASP A 72 6.856 0.943 -11.269 1.00 0.00 C ATOM 1069 C ASP A 72 6.803 -0.490 -11.789 1.00 0.00 C ATOM 1070 O ASP A 72 6.500 -0.726 -12.958 1.00 0.00 O ATOM 1071 CB ASP A 72 6.889 1.924 -12.442 1.00 0.00 C ATOM 1072 CG ASP A 72 5.501 2.277 -12.941 1.00 0.00 C ATOM 1073 OD1 ASP A 72 4.937 1.491 -13.730 1.00 0.00 O ATOM 1074 OD2 ASP A 72 4.980 3.340 -12.542 1.00 0.00 O ATOM 0 H ASP A 72 8.897 0.807 -10.805 1.00 0.00 H new ATOM 0 HA ASP A 72 5.960 1.128 -10.676 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.404 2.834 -12.136 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.466 1.490 -13.259 1.00 0.00 H new ATOM 1079 N VAL A 73 7.101 -1.444 -10.912 1.00 0.00 N ATOM 1080 CA VAL A 73 7.088 -2.854 -11.282 1.00 0.00 C ATOM 1081 C VAL A 73 6.320 -3.683 -10.258 1.00 0.00 C ATOM 1082 O VAL A 73 5.737 -4.714 -10.592 1.00 0.00 O ATOM 1083 CB VAL A 73 8.517 -3.413 -11.413 1.00 0.00 C ATOM 1084 CG1 VAL A 73 8.881 -4.239 -10.188 1.00 0.00 C ATOM 1085 CG2 VAL A 73 8.650 -4.241 -12.682 1.00 0.00 C ATOM 0 H VAL A 73 7.354 -1.265 -9.940 1.00 0.00 H new ATOM 0 HA VAL A 73 6.590 -2.924 -12.249 1.00 0.00 H new ATOM 0 HB VAL A 73 9.212 -2.576 -11.478 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.894 -4.626 -10.298 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.827 -3.613 -9.298 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.184 -5.071 -10.090 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.666 -4.628 -12.759 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.946 -5.073 -12.649 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.433 -3.616 -13.548 1.00 0.00 H new ATOM 1095 N ALA A 74 6.325 -3.225 -9.011 1.00 0.00 N ATOM 1096 CA ALA A 74 5.627 -3.923 -7.938 1.00 0.00 C ATOM 1097 C ALA A 74 4.134 -3.614 -7.962 1.00 0.00 C ATOM 1098 O ALA A 74 3.359 -4.180 -7.191 1.00 0.00 O ATOM 1099 CB ALA A 74 6.224 -3.550 -6.590 1.00 0.00 C ATOM 0 H ALA A 74 6.805 -2.374 -8.718 1.00 0.00 H new ATOM 0 HA ALA A 74 5.752 -4.995 -8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.693 -4.078 -5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.278 -3.829 -6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.130 -2.475 -6.435 1.00 0.00 H new ATOM 1105 N LYS A 75 3.736 -2.711 -8.852 1.00 0.00 N ATOM 1106 CA LYS A 75 2.335 -2.326 -8.978 1.00 0.00 C ATOM 1107 C LYS A 75 1.793 -2.687 -10.357 1.00 0.00 C ATOM 1108 O LYS A 75 0.582 -2.698 -10.576 1.00 0.00 O ATOM 1109 CB LYS A 75 2.174 -0.824 -8.732 1.00 0.00 C ATOM 1110 CG LYS A 75 3.306 0.011 -9.306 1.00 0.00 C ATOM 1111 CD LYS A 75 4.426 0.201 -8.297 1.00 0.00 C ATOM 1112 CE LYS A 75 4.139 1.364 -7.359 1.00 0.00 C ATOM 1113 NZ LYS A 75 4.178 2.672 -8.069 1.00 0.00 N ATOM 0 H LYS A 75 4.364 -2.232 -9.497 1.00 0.00 H new ATOM 0 HA LYS A 75 1.765 -2.874 -8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.232 -0.492 -9.168 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.110 -0.645 -7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.699 -0.473 -10.200 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.922 0.984 -9.613 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.554 -0.713 -7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.364 0.379 -8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.159 1.228 -6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.870 1.368 -6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.267 3.441 -7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.993 2.692 -8.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.301 2.797 -8.614 1.00 0.00 H new ATOM 1127 N VAL A 76 2.698 -2.985 -11.284 1.00 0.00 N ATOM 1128 CA VAL A 76 2.310 -3.350 -12.642 1.00 0.00 C ATOM 1129 C VAL A 76 1.265 -4.460 -12.635 1.00 0.00 C ATOM 1130 O VAL A 76 0.088 -4.221 -12.908 1.00 0.00 O ATOM 1131 CB VAL A 76 3.526 -3.809 -13.468 1.00 0.00 C ATOM 1132 CG1 VAL A 76 3.075 -4.422 -14.786 1.00 0.00 C ATOM 1133 CG2 VAL A 76 4.476 -2.646 -13.710 1.00 0.00 C ATOM 0 H VAL A 76 3.705 -2.981 -11.120 1.00 0.00 H new ATOM 0 HA VAL A 76 1.884 -2.458 -13.101 1.00 0.00 H new ATOM 0 HB VAL A 76 4.060 -4.573 -12.902 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.947 -4.741 -15.356 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.437 -5.283 -14.587 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.517 -3.682 -15.359 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.329 -2.989 -14.295 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.955 -1.858 -14.255 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.825 -2.256 -12.754 1.00 0.00 H new ATOM 1143 N PHE A 77 1.702 -5.675 -12.321 1.00 0.00 N ATOM 1144 CA PHE A 77 0.804 -6.823 -12.279 1.00 0.00 C ATOM 1145 C PHE A 77 -0.375 -6.558 -11.348 1.00 0.00 C ATOM 1146 O PHE A 77 -0.192 -6.192 -10.188 1.00 0.00 O ATOM 1147 CB PHE A 77 1.560 -8.072 -11.820 1.00 0.00 C ATOM 1148 CG PHE A 77 0.670 -9.258 -11.584 1.00 0.00 C ATOM 1149 CD1 PHE A 77 -0.307 -9.601 -12.504 1.00 0.00 C ATOM 1150 CD2 PHE A 77 0.811 -10.031 -10.443 1.00 0.00 C ATOM 1151 CE1 PHE A 77 -1.128 -10.693 -12.291 1.00 0.00 C ATOM 1152 CE2 PHE A 77 -0.006 -11.124 -10.225 1.00 0.00 C ATOM 1153 CZ PHE A 77 -0.977 -11.455 -11.149 1.00 0.00 C ATOM 0 H PHE A 77 2.672 -5.890 -12.092 1.00 0.00 H new ATOM 0 HA PHE A 77 0.419 -6.988 -13.285 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.306 -8.332 -12.571 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.099 -7.843 -10.900 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.429 -9.008 -13.399 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.568 -9.777 -9.716 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.886 -10.950 -13.016 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.115 -11.719 -9.332 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.617 -12.308 -10.979 1.00 0.00 H new