USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=14 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 Set 1.1: A 63 CYS SG : rot 32:sc= 1.03 USER MOD Set 1.2: A 70 MET CE :methyl -146:sc= -1.44 (180deg=-1.37) USER MOD Single : A 4 MET CE :methyl -155:sc= -0.597 (180deg=-1.41!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -89:sc= 0.76 USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= 0.218 (180deg=0.00167) USER MOD Single : A 20 SER OG : rot -60:sc= 0.2 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 30:sc= -1.21 USER MOD Single : A 30 THR OG1 : rot -27:sc= 0.0808 USER MOD Single : A 33 SER OG : rot 98:sc= 0.0184 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 58:sc= 0.686 USER MOD Single : A 40 GLN : amide:sc= -0.112 K(o=-0.11,f=-0.63) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 140:sc=-0.00209 USER MOD Single : A 57 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.022) USER MOD Single : A 61 SER OG : rot -79:sc= 1.03 USER MOD Single : A 64 ASN : amide:sc= -0.0224 K(o=-0.022,f=-1.4!) USER MOD Single : A 66 ASN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 7.772 -1.047 -2.928 1.00 0.00 N ATOM 24 CA ASP A 3 8.316 -1.037 -4.281 1.00 0.00 C ATOM 25 C ASP A 3 9.037 -2.347 -4.587 1.00 0.00 C ATOM 26 O ASP A 3 9.004 -2.836 -5.716 1.00 0.00 O ATOM 27 CB ASP A 3 9.276 0.141 -4.459 1.00 0.00 C ATOM 28 CG ASP A 3 8.629 1.470 -4.122 1.00 0.00 C ATOM 29 OD1 ASP A 3 7.426 1.634 -4.412 1.00 0.00 O ATOM 30 OD2 ASP A 3 9.326 2.346 -3.569 1.00 0.00 O ATOM 0 HA ASP A 3 7.486 -0.928 -4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 3 10.149 -0.006 -3.824 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.632 0.164 -5.489 1.00 0.00 H new ATOM 35 N MET A 4 9.689 -2.908 -3.574 1.00 0.00 N ATOM 36 CA MET A 4 10.417 -4.161 -3.735 1.00 0.00 C ATOM 37 C MET A 4 9.950 -5.196 -2.717 1.00 0.00 C ATOM 38 O MET A 4 9.976 -6.397 -2.984 1.00 0.00 O ATOM 39 CB MET A 4 11.921 -3.924 -3.585 1.00 0.00 C ATOM 40 CG MET A 4 12.308 -3.298 -2.254 1.00 0.00 C ATOM 41 SD MET A 4 12.303 -1.496 -2.307 1.00 0.00 S ATOM 42 CE MET A 4 13.555 -1.190 -3.551 1.00 0.00 C ATOM 0 H MET A 4 9.728 -2.515 -2.634 1.00 0.00 H new ATOM 0 HA MET A 4 10.214 -4.544 -4.735 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.443 -4.874 -3.696 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.261 -3.277 -4.394 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.616 -3.637 -1.483 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.300 -3.647 -1.968 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.986 -0.201 -3.398 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.339 -1.944 -3.472 1.00 0.00 H new ATOM 0 HE3 MET A 4 13.103 -1.239 -4.542 1.00 0.00 H new ATOM 52 N GLU A 5 9.524 -4.722 -1.550 1.00 0.00 N ATOM 53 CA GLU A 5 9.052 -5.609 -0.493 1.00 0.00 C ATOM 54 C GLU A 5 7.895 -6.474 -0.984 1.00 0.00 C ATOM 55 O GLU A 5 7.646 -7.556 -0.452 1.00 0.00 O ATOM 56 CB GLU A 5 8.614 -4.796 0.727 1.00 0.00 C ATOM 57 CG GLU A 5 9.750 -4.475 1.684 1.00 0.00 C ATOM 58 CD GLU A 5 10.673 -3.395 1.153 1.00 0.00 C ATOM 59 OE1 GLU A 5 10.213 -2.571 0.335 1.00 0.00 O ATOM 60 OE2 GLU A 5 11.854 -3.373 1.557 1.00 0.00 O ATOM 0 H GLU A 5 9.496 -3.730 -1.313 1.00 0.00 H new ATOM 0 HA GLU A 5 9.876 -6.263 -0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.161 -3.864 0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.843 -5.349 1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.335 -4.155 2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.327 -5.380 1.873 1.00 0.00 H new ATOM 67 N ARG A 6 7.190 -5.987 -2.000 1.00 0.00 N ATOM 68 CA ARG A 6 6.058 -6.714 -2.562 1.00 0.00 C ATOM 69 C ARG A 6 6.533 -7.826 -3.493 1.00 0.00 C ATOM 70 O ARG A 6 5.787 -8.757 -3.795 1.00 0.00 O ATOM 71 CB ARG A 6 5.137 -5.757 -3.321 1.00 0.00 C ATOM 72 CG ARG A 6 3.798 -6.370 -3.695 1.00 0.00 C ATOM 73 CD ARG A 6 2.840 -6.380 -2.514 1.00 0.00 C ATOM 74 NE ARG A 6 3.019 -7.561 -1.674 1.00 0.00 N ATOM 75 CZ ARG A 6 2.426 -7.722 -0.496 1.00 0.00 C ATOM 76 NH1 ARG A 6 1.620 -6.782 -0.022 1.00 0.00 N ATOM 77 NH2 ARG A 6 2.639 -8.825 0.210 1.00 0.00 N ATOM 0 H ARG A 6 7.383 -5.092 -2.451 1.00 0.00 H new ATOM 0 HA ARG A 6 5.504 -7.166 -1.739 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.964 -4.871 -2.710 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.641 -5.424 -4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.357 -5.808 -4.518 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.950 -7.389 -4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.994 -5.482 -1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 6 1.814 -6.347 -2.880 1.00 0.00 H new ATOM 0 HE ARG A 6 3.633 -8.303 -2.010 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.454 -5.933 -0.562 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.166 -6.908 0.883 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.258 -9.550 -0.152 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.183 -8.948 1.114 1.00 0.00 H new ATOM 91 N ILE A 7 7.779 -7.721 -3.943 1.00 0.00 N ATOM 92 CA ILE A 7 8.353 -8.717 -4.839 1.00 0.00 C ATOM 93 C ILE A 7 9.267 -9.675 -4.082 1.00 0.00 C ATOM 94 O ILE A 7 9.273 -10.879 -4.340 1.00 0.00 O ATOM 95 CB ILE A 7 9.151 -8.057 -5.979 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.637 -6.639 -6.235 1.00 0.00 C ATOM 97 CG2 ILE A 7 9.061 -8.896 -7.244 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.297 -5.961 -7.416 1.00 0.00 C ATOM 0 H ILE A 7 8.410 -6.957 -3.702 1.00 0.00 H new ATOM 0 HA ILE A 7 7.519 -9.274 -5.266 1.00 0.00 H new ATOM 0 HB ILE A 7 10.198 -7.996 -5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.561 -6.676 -6.403 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.800 -6.035 -5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.630 -8.416 -8.040 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.470 -9.888 -7.053 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.018 -8.986 -7.547 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.884 -4.960 -7.538 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.371 -5.892 -7.242 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.112 -6.542 -8.319 1.00 0.00 H new ATOM 110 N PHE A 8 10.038 -9.132 -3.145 1.00 0.00 N ATOM 111 CA PHE A 8 10.956 -9.938 -2.349 1.00 0.00 C ATOM 112 C PHE A 8 10.223 -11.097 -1.681 1.00 0.00 C ATOM 113 O PHE A 8 10.543 -12.264 -1.908 1.00 0.00 O ATOM 114 CB PHE A 8 11.640 -9.073 -1.289 1.00 0.00 C ATOM 115 CG PHE A 8 12.348 -9.869 -0.230 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.482 -10.602 -0.538 1.00 0.00 C ATOM 117 CD2 PHE A 8 11.878 -9.886 1.073 1.00 0.00 C ATOM 118 CE1 PHE A 8 14.136 -11.336 0.433 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.528 -10.617 2.049 1.00 0.00 C ATOM 120 CZ PHE A 8 13.658 -11.344 1.729 1.00 0.00 C ATOM 0 H PHE A 8 10.045 -8.137 -2.919 1.00 0.00 H new ATOM 0 HA PHE A 8 11.713 -10.348 -3.017 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.358 -8.414 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 8 10.894 -8.436 -0.815 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.860 -10.600 -1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 8 10.994 -9.322 1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 8 15.020 -11.903 0.179 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.153 -10.620 3.062 1.00 0.00 H new ATOM 0 HZ PHE A 8 14.167 -11.917 2.490 1.00 0.00 H new ATOM 130 N LYS A 9 9.237 -10.767 -0.854 1.00 0.00 N ATOM 131 CA LYS A 9 8.456 -11.778 -0.151 1.00 0.00 C ATOM 132 C LYS A 9 7.830 -12.762 -1.134 1.00 0.00 C ATOM 133 O LYS A 9 7.598 -13.924 -0.800 1.00 0.00 O ATOM 134 CB LYS A 9 7.362 -11.115 0.689 1.00 0.00 C ATOM 135 CG LYS A 9 7.861 -10.569 2.016 1.00 0.00 C ATOM 136 CD LYS A 9 6.771 -10.593 3.074 1.00 0.00 C ATOM 137 CE LYS A 9 6.726 -11.931 3.798 1.00 0.00 C ATOM 138 NZ LYS A 9 5.349 -12.270 4.251 1.00 0.00 N ATOM 0 H LYS A 9 8.959 -9.806 -0.654 1.00 0.00 H new ATOM 0 HA LYS A 9 9.129 -12.327 0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.918 -10.302 0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.571 -11.841 0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.712 -11.159 2.356 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.215 -9.547 1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.944 -9.794 3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.805 -10.398 2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.094 -12.715 3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.394 -11.901 4.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.360 -13.188 4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.007 -11.535 4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.716 -12.324 3.428 1.00 0.00 H new ATOM 152 N ARG A 10 7.561 -12.290 -2.347 1.00 0.00 N ATOM 153 CA ARG A 10 6.963 -13.129 -3.378 1.00 0.00 C ATOM 154 C ARG A 10 7.929 -14.226 -3.815 1.00 0.00 C ATOM 155 O ARG A 10 7.554 -15.395 -3.915 1.00 0.00 O ATOM 156 CB ARG A 10 6.558 -12.280 -4.585 1.00 0.00 C ATOM 157 CG ARG A 10 5.058 -12.240 -4.826 1.00 0.00 C ATOM 158 CD ARG A 10 4.311 -11.724 -3.606 1.00 0.00 C ATOM 159 NE ARG A 10 3.064 -11.058 -3.969 1.00 0.00 N ATOM 160 CZ ARG A 10 2.066 -10.852 -3.116 1.00 0.00 C ATOM 161 NH1 ARG A 10 2.170 -11.257 -1.858 1.00 0.00 N ATOM 162 NH2 ARG A 10 0.962 -10.238 -3.522 1.00 0.00 N ATOM 0 H ARG A 10 7.748 -11.331 -2.640 1.00 0.00 H new ATOM 0 HA ARG A 10 6.074 -13.599 -2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.922 -11.263 -4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.050 -12.671 -5.475 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.843 -11.601 -5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.702 -13.239 -5.076 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.096 -12.555 -2.934 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.947 -11.029 -3.059 1.00 0.00 H new ATOM 0 HE ARG A 10 2.953 -10.733 -4.929 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.018 -11.728 -1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.402 -11.097 -1.206 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.879 -9.924 -4.489 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.196 -10.080 -2.867 1.00 0.00 H new ATOM 176 N PHE A 11 9.174 -13.841 -4.075 1.00 0.00 N ATOM 177 CA PHE A 11 10.194 -14.792 -4.503 1.00 0.00 C ATOM 178 C PHE A 11 10.740 -15.576 -3.313 1.00 0.00 C ATOM 179 O PHE A 11 11.279 -16.671 -3.473 1.00 0.00 O ATOM 180 CB PHE A 11 11.336 -14.062 -5.213 1.00 0.00 C ATOM 181 CG PHE A 11 10.956 -13.525 -6.563 1.00 0.00 C ATOM 182 CD1 PHE A 11 10.534 -14.379 -7.570 1.00 0.00 C ATOM 183 CD2 PHE A 11 11.019 -12.166 -6.826 1.00 0.00 C ATOM 184 CE1 PHE A 11 10.185 -13.887 -8.813 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.670 -11.668 -8.068 1.00 0.00 C ATOM 186 CZ PHE A 11 10.251 -12.530 -9.062 1.00 0.00 C ATOM 0 H PHE A 11 9.501 -12.878 -3.997 1.00 0.00 H new ATOM 0 HA PHE A 11 9.732 -15.494 -5.198 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.676 -13.238 -4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.178 -14.745 -5.326 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.477 -15.441 -7.381 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.345 -11.487 -6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.861 -14.563 -9.590 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.725 -10.607 -8.260 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.975 -12.144 -10.032 1.00 0.00 H new ATOM 196 N ASP A 12 10.595 -15.008 -2.121 1.00 0.00 N ATOM 197 CA ASP A 12 11.073 -15.653 -0.903 1.00 0.00 C ATOM 198 C ASP A 12 9.953 -16.442 -0.232 1.00 0.00 C ATOM 199 O ASP A 12 9.989 -16.690 0.974 1.00 0.00 O ATOM 200 CB ASP A 12 11.631 -14.611 0.066 1.00 0.00 C ATOM 201 CG ASP A 12 12.624 -15.205 1.046 1.00 0.00 C ATOM 202 OD1 ASP A 12 13.809 -15.343 0.678 1.00 0.00 O ATOM 203 OD2 ASP A 12 12.216 -15.532 2.180 1.00 0.00 O ATOM 0 H ASP A 12 10.150 -14.102 -1.972 1.00 0.00 H new ATOM 0 HA ASP A 12 11.869 -16.346 -1.176 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.115 -13.815 -0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.809 -14.155 0.618 1.00 0.00 H new ATOM 208 N THR A 13 8.957 -16.835 -1.020 1.00 0.00 N ATOM 209 CA THR A 13 7.826 -17.593 -0.502 1.00 0.00 C ATOM 210 C THR A 13 8.292 -18.861 0.205 1.00 0.00 C ATOM 211 O THR A 13 7.720 -19.264 1.217 1.00 0.00 O ATOM 212 CB THR A 13 6.845 -17.977 -1.626 1.00 0.00 C ATOM 213 OG1 THR A 13 7.548 -18.109 -2.867 1.00 0.00 O ATOM 214 CG2 THR A 13 5.749 -16.932 -1.768 1.00 0.00 C ATOM 0 H THR A 13 8.911 -16.640 -2.020 1.00 0.00 H new ATOM 0 HA THR A 13 7.314 -16.949 0.213 1.00 0.00 H new ATOM 0 HB THR A 13 6.385 -18.931 -1.366 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.576 -17.241 -3.321 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.069 -17.225 -2.568 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.197 -16.855 -0.832 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.195 -15.967 -2.007 1.00 0.00 H new ATOM 255 N GLY A 17 15.300 -17.684 2.912 1.00 0.00 N ATOM 256 CA GLY A 17 15.958 -16.458 3.325 1.00 0.00 C ATOM 257 C GLY A 17 16.503 -15.669 2.151 1.00 0.00 C ATOM 258 O GLY A 17 16.876 -14.504 2.295 1.00 0.00 O ATOM 0 HA2 GLY A 17 15.252 -15.839 3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.773 -16.699 4.007 1.00 0.00 H new ATOM 262 N LYS A 18 16.552 -16.304 0.985 1.00 0.00 N ATOM 263 CA LYS A 18 17.056 -15.655 -0.220 1.00 0.00 C ATOM 264 C LYS A 18 16.156 -15.952 -1.415 1.00 0.00 C ATOM 265 O LYS A 18 15.249 -16.781 -1.330 1.00 0.00 O ATOM 266 CB LYS A 18 18.484 -16.120 -0.515 1.00 0.00 C ATOM 267 CG LYS A 18 19.440 -15.926 0.649 1.00 0.00 C ATOM 268 CD LYS A 18 20.603 -16.901 0.584 1.00 0.00 C ATOM 269 CE LYS A 18 20.978 -17.415 1.966 1.00 0.00 C ATOM 270 NZ LYS A 18 22.273 -16.848 2.435 1.00 0.00 N ATOM 0 H LYS A 18 16.249 -17.268 0.849 1.00 0.00 H new ATOM 0 HA LYS A 18 17.059 -14.579 -0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 18 18.465 -17.176 -0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.863 -15.576 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 18 19.820 -14.904 0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 18 18.903 -16.061 1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 18 20.339 -17.741 -0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 18 21.465 -16.411 0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 18 20.191 -17.158 2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 18 21.044 -18.503 1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 22.350 -16.965 3.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 23.059 -17.346 1.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.316 -15.836 2.197 1.00 0.00 H new ATOM 284 N ILE A 19 16.413 -15.272 -2.527 1.00 0.00 N ATOM 285 CA ILE A 19 15.628 -15.465 -3.739 1.00 0.00 C ATOM 286 C ILE A 19 16.527 -15.748 -4.938 1.00 0.00 C ATOM 287 O ILE A 19 17.536 -15.072 -5.143 1.00 0.00 O ATOM 288 CB ILE A 19 14.754 -14.235 -4.046 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.625 -12.985 -4.184 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.709 -14.042 -2.957 1.00 0.00 C ATOM 291 CD1 ILE A 19 14.841 -11.735 -4.520 1.00 0.00 C ATOM 0 H ILE A 19 17.159 -14.582 -2.613 1.00 0.00 H new ATOM 0 HA ILE A 19 14.982 -16.325 -3.562 1.00 0.00 H new ATOM 0 HB ILE A 19 14.238 -14.401 -4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.166 -12.825 -3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 19 16.371 -13.156 -4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 19 13.099 -13.169 -3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.072 -14.925 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.206 -13.894 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.523 -10.889 -4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.321 -11.875 -5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 19 14.113 -11.539 -3.732 1.00 0.00 H new ATOM 303 N SER A 20 16.154 -16.749 -5.728 1.00 0.00 N ATOM 304 CA SER A 20 16.928 -17.123 -6.906 1.00 0.00 C ATOM 305 C SER A 20 16.866 -16.027 -7.966 1.00 0.00 C ATOM 306 O SER A 20 15.907 -15.943 -8.734 1.00 0.00 O ATOM 307 CB SER A 20 16.409 -18.440 -7.487 1.00 0.00 C ATOM 308 OG SER A 20 15.889 -19.276 -6.468 1.00 0.00 O ATOM 0 H SER A 20 15.320 -17.316 -5.574 1.00 0.00 H new ATOM 0 HA SER A 20 17.967 -17.253 -6.602 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.633 -18.235 -8.225 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.216 -18.955 -8.008 1.00 0.00 H new ATOM 0 HG SER A 20 16.594 -19.477 -5.818 1.00 0.00 H new ATOM 314 N LEU A 21 17.897 -15.190 -8.003 1.00 0.00 N ATOM 315 CA LEU A 21 17.962 -14.098 -8.968 1.00 0.00 C ATOM 316 C LEU A 21 17.639 -14.594 -10.374 1.00 0.00 C ATOM 317 O LEU A 21 16.882 -13.960 -11.109 1.00 0.00 O ATOM 318 CB LEU A 21 19.350 -13.456 -8.948 1.00 0.00 C ATOM 319 CG LEU A 21 20.460 -14.275 -8.289 1.00 0.00 C ATOM 320 CD1 LEU A 21 21.771 -14.100 -9.039 1.00 0.00 C ATOM 321 CD2 LEU A 21 20.621 -13.877 -6.829 1.00 0.00 C ATOM 0 H LEU A 21 18.699 -15.247 -7.376 1.00 0.00 H new ATOM 0 HA LEU A 21 17.219 -13.352 -8.686 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.645 -13.243 -9.976 1.00 0.00 H new ATOM 0 HB3 LEU A 21 19.278 -12.498 -8.432 1.00 0.00 H new ATOM 0 HG LEU A 21 20.181 -15.328 -8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.549 -14.691 -8.555 1.00 0.00 H new ATOM 0 HD12 LEU A 21 21.649 -14.436 -10.069 1.00 0.00 H new ATOM 0 HD13 LEU A 21 22.057 -13.048 -9.032 1.00 0.00 H new ATOM 0 HD21 LEU A 21 21.415 -14.470 -6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.877 -12.819 -6.766 1.00 0.00 H new ATOM 0 HD23 LEU A 21 19.686 -14.056 -6.298 1.00 0.00 H new ATOM 333 N SER A 22 18.216 -15.734 -10.741 1.00 0.00 N ATOM 334 CA SER A 22 17.991 -16.316 -12.059 1.00 0.00 C ATOM 335 C SER A 22 16.502 -16.358 -12.387 1.00 0.00 C ATOM 336 O SER A 22 16.108 -16.259 -13.548 1.00 0.00 O ATOM 337 CB SER A 22 18.580 -17.726 -12.125 1.00 0.00 C ATOM 338 OG SER A 22 18.605 -18.206 -13.458 1.00 0.00 O ATOM 0 H SER A 22 18.843 -16.273 -10.144 1.00 0.00 H new ATOM 0 HA SER A 22 18.490 -15.687 -12.797 1.00 0.00 H new ATOM 0 HB2 SER A 22 19.591 -17.721 -11.718 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.990 -18.400 -11.504 1.00 0.00 H new ATOM 0 HG SER A 22 18.987 -19.108 -13.474 1.00 0.00 H new ATOM 344 N GLU A 23 15.679 -16.506 -11.353 1.00 0.00 N ATOM 345 CA GLU A 23 14.232 -16.562 -11.531 1.00 0.00 C ATOM 346 C GLU A 23 13.624 -15.163 -11.493 1.00 0.00 C ATOM 347 O GLU A 23 12.614 -14.895 -12.145 1.00 0.00 O ATOM 348 CB GLU A 23 13.597 -17.436 -10.448 1.00 0.00 C ATOM 349 CG GLU A 23 13.505 -18.905 -10.827 1.00 0.00 C ATOM 350 CD GLU A 23 12.601 -19.144 -12.021 1.00 0.00 C ATOM 351 OE1 GLU A 23 11.520 -18.522 -12.079 1.00 0.00 O ATOM 352 OE2 GLU A 23 12.974 -19.952 -12.896 1.00 0.00 O ATOM 0 H GLU A 23 15.989 -16.589 -10.385 1.00 0.00 H new ATOM 0 HA GLU A 23 14.028 -17.001 -12.508 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.178 -17.342 -9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.596 -17.062 -10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.503 -19.282 -11.050 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.133 -19.474 -9.975 1.00 0.00 H new ATOM 359 N LEU A 24 14.246 -14.275 -10.725 1.00 0.00 N ATOM 360 CA LEU A 24 13.767 -12.903 -10.601 1.00 0.00 C ATOM 361 C LEU A 24 14.032 -12.116 -11.880 1.00 0.00 C ATOM 362 O LEU A 24 13.120 -11.523 -12.458 1.00 0.00 O ATOM 363 CB LEU A 24 14.442 -12.212 -9.415 1.00 0.00 C ATOM 364 CG LEU A 24 13.927 -10.814 -9.071 1.00 0.00 C ATOM 365 CD1 LEU A 24 14.111 -10.527 -7.588 1.00 0.00 C ATOM 366 CD2 LEU A 24 14.637 -9.763 -9.911 1.00 0.00 C ATOM 0 H LEU A 24 15.083 -14.481 -10.179 1.00 0.00 H new ATOM 0 HA LEU A 24 12.691 -12.934 -10.432 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.326 -12.847 -8.536 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.510 -12.144 -9.620 1.00 0.00 H new ATOM 0 HG LEU A 24 12.862 -10.774 -9.299 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.739 -9.528 -7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.557 -11.261 -7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.169 -10.586 -7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.258 -8.774 -9.653 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.708 -9.803 -9.715 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.454 -9.957 -10.968 1.00 0.00 H new ATOM 378 N THR A 25 15.286 -12.115 -12.320 1.00 0.00 N ATOM 379 CA THR A 25 15.671 -11.402 -13.532 1.00 0.00 C ATOM 380 C THR A 25 14.796 -11.810 -14.711 1.00 0.00 C ATOM 381 O THR A 25 14.585 -11.029 -15.639 1.00 0.00 O ATOM 382 CB THR A 25 17.147 -11.659 -13.890 1.00 0.00 C ATOM 383 OG1 THR A 25 17.472 -11.010 -15.124 1.00 0.00 O ATOM 384 CG2 THR A 25 17.424 -13.150 -14.007 1.00 0.00 C ATOM 0 H THR A 25 16.053 -12.600 -11.855 1.00 0.00 H new ATOM 0 HA THR A 25 15.533 -10.340 -13.331 1.00 0.00 H new ATOM 0 HB THR A 25 17.768 -11.252 -13.092 1.00 0.00 H new ATOM 0 HG1 THR A 25 16.918 -10.208 -15.228 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.473 -13.306 -14.260 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.204 -13.637 -13.057 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.794 -13.577 -14.788 1.00 0.00 H new ATOM 392 N ASP A 26 14.288 -13.037 -14.669 1.00 0.00 N ATOM 393 CA ASP A 26 13.433 -13.548 -15.734 1.00 0.00 C ATOM 394 C ASP A 26 11.960 -13.342 -15.394 1.00 0.00 C ATOM 395 O ASP A 26 11.102 -13.352 -16.276 1.00 0.00 O ATOM 396 CB ASP A 26 13.712 -15.032 -15.973 1.00 0.00 C ATOM 397 CG ASP A 26 13.297 -15.483 -17.360 1.00 0.00 C ATOM 398 OD1 ASP A 26 12.423 -14.825 -17.961 1.00 0.00 O ATOM 399 OD2 ASP A 26 13.848 -16.494 -17.844 1.00 0.00 O ATOM 0 H ASP A 26 14.454 -13.696 -13.909 1.00 0.00 H new ATOM 0 HA ASP A 26 13.658 -12.993 -16.645 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.776 -15.226 -15.834 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.180 -15.623 -15.228 1.00 0.00 H new ATOM 404 N ALA A 27 11.674 -13.158 -14.109 1.00 0.00 N ATOM 405 CA ALA A 27 10.306 -12.950 -13.653 1.00 0.00 C ATOM 406 C ALA A 27 9.996 -11.464 -13.507 1.00 0.00 C ATOM 407 O ALA A 27 9.092 -11.078 -12.764 1.00 0.00 O ATOM 408 CB ALA A 27 10.074 -13.671 -12.333 1.00 0.00 C ATOM 0 H ALA A 27 12.372 -13.149 -13.366 1.00 0.00 H new ATOM 0 HA ALA A 27 9.632 -13.363 -14.404 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.048 -13.507 -12.004 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.246 -14.739 -12.467 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.762 -13.284 -11.581 1.00 0.00 H new ATOM 414 N LEU A 28 10.751 -10.635 -14.219 1.00 0.00 N ATOM 415 CA LEU A 28 10.557 -9.190 -14.168 1.00 0.00 C ATOM 416 C LEU A 28 9.821 -8.695 -15.410 1.00 0.00 C ATOM 417 O LEU A 28 8.782 -8.043 -15.309 1.00 0.00 O ATOM 418 CB LEU A 28 11.905 -8.478 -14.043 1.00 0.00 C ATOM 419 CG LEU A 28 12.414 -8.250 -12.619 1.00 0.00 C ATOM 420 CD1 LEU A 28 13.933 -8.323 -12.577 1.00 0.00 C ATOM 421 CD2 LEU A 28 11.927 -6.910 -12.087 1.00 0.00 C ATOM 0 H LEU A 28 11.503 -10.938 -14.838 1.00 0.00 H new ATOM 0 HA LEU A 28 9.950 -8.961 -13.292 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.651 -9.058 -14.586 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.830 -7.511 -14.540 1.00 0.00 H new ATOM 0 HG LEU A 28 12.015 -9.038 -11.980 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.277 -8.158 -11.556 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.260 -9.306 -12.916 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.352 -7.557 -13.229 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.299 -6.764 -11.073 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.296 -6.109 -12.727 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.837 -6.896 -12.080 1.00 0.00 H new ATOM 433 N ARG A 29 10.367 -9.011 -16.580 1.00 0.00 N ATOM 434 CA ARG A 29 9.762 -8.600 -17.841 1.00 0.00 C ATOM 435 C ARG A 29 8.309 -9.057 -17.921 1.00 0.00 C ATOM 436 O ARG A 29 7.452 -8.348 -18.450 1.00 0.00 O ATOM 437 CB ARG A 29 10.553 -9.170 -19.020 1.00 0.00 C ATOM 438 CG ARG A 29 10.948 -10.627 -18.841 1.00 0.00 C ATOM 439 CD ARG A 29 11.144 -11.319 -20.181 1.00 0.00 C ATOM 440 NE ARG A 29 12.512 -11.800 -20.354 1.00 0.00 N ATOM 441 CZ ARG A 29 12.864 -12.708 -21.257 1.00 0.00 C ATOM 442 NH1 ARG A 29 11.952 -13.231 -22.066 1.00 0.00 N ATOM 443 NH2 ARG A 29 14.129 -13.095 -21.353 1.00 0.00 N ATOM 0 H ARG A 29 11.227 -9.550 -16.681 1.00 0.00 H new ATOM 0 HA ARG A 29 9.785 -7.511 -17.889 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.957 -9.073 -19.927 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.454 -8.573 -19.165 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.869 -10.687 -18.261 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.178 -11.147 -18.271 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.452 -12.158 -20.260 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.899 -10.626 -20.986 1.00 0.00 H new ATOM 0 HE ARG A 29 13.237 -11.417 -19.748 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.978 -12.936 -21.995 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.225 -13.928 -22.759 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.833 -12.695 -20.733 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.398 -13.792 -22.047 1.00 0.00 H new ATOM 457 N THR A 30 8.038 -10.247 -17.394 1.00 0.00 N ATOM 458 CA THR A 30 6.689 -10.800 -17.407 1.00 0.00 C ATOM 459 C THR A 30 5.744 -9.963 -16.552 1.00 0.00 C ATOM 460 O THR A 30 4.523 -10.093 -16.651 1.00 0.00 O ATOM 461 CB THR A 30 6.673 -12.253 -16.898 1.00 0.00 C ATOM 462 OG1 THR A 30 5.377 -12.829 -17.102 1.00 0.00 O ATOM 463 CG2 THR A 30 7.034 -12.314 -15.422 1.00 0.00 C ATOM 0 H THR A 30 8.735 -10.847 -16.953 1.00 0.00 H new ATOM 0 HA THR A 30 6.350 -10.782 -18.443 1.00 0.00 H new ATOM 0 HB THR A 30 7.415 -12.820 -17.460 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.700 -12.120 -17.099 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.016 -13.351 -15.086 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.032 -11.902 -15.274 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.313 -11.733 -14.847 1.00 0.00 H new ATOM 471 N LEU A 31 6.314 -9.105 -15.714 1.00 0.00 N ATOM 472 CA LEU A 31 5.521 -8.246 -14.842 1.00 0.00 C ATOM 473 C LEU A 31 5.418 -6.836 -15.414 1.00 0.00 C ATOM 474 O LEU A 31 5.004 -5.904 -14.725 1.00 0.00 O ATOM 475 CB LEU A 31 6.139 -8.197 -13.443 1.00 0.00 C ATOM 476 CG LEU A 31 6.485 -9.548 -12.815 1.00 0.00 C ATOM 477 CD1 LEU A 31 7.181 -9.351 -11.477 1.00 0.00 C ATOM 478 CD2 LEU A 31 5.232 -10.395 -12.647 1.00 0.00 C ATOM 0 H LEU A 31 7.323 -8.985 -15.620 1.00 0.00 H new ATOM 0 HA LEU A 31 4.517 -8.665 -14.775 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.048 -7.597 -13.490 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.448 -7.677 -12.780 1.00 0.00 H new ATOM 0 HG LEU A 31 7.167 -10.074 -13.483 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.420 -10.323 -11.045 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.100 -8.784 -11.625 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.523 -8.805 -10.801 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.497 -11.352 -12.199 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.525 -9.875 -12.000 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.774 -10.565 -13.622 1.00 0.00 H new ATOM 490 N GLY A 32 5.796 -6.687 -16.680 1.00 0.00 N ATOM 491 CA GLY A 32 5.736 -5.388 -17.324 1.00 0.00 C ATOM 492 C GLY A 32 7.109 -4.859 -17.691 1.00 0.00 C ATOM 493 O GLY A 32 7.267 -4.171 -18.699 1.00 0.00 O ATOM 0 H GLY A 32 6.143 -7.443 -17.271 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.125 -5.460 -18.224 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.242 -4.679 -16.660 1.00 0.00 H new ATOM 497 N SER A 33 8.104 -5.179 -16.869 1.00 0.00 N ATOM 498 CA SER A 33 9.469 -4.727 -17.110 1.00 0.00 C ATOM 499 C SER A 33 9.885 -4.999 -18.552 1.00 0.00 C ATOM 500 O SER A 33 9.243 -5.774 -19.262 1.00 0.00 O ATOM 501 CB SER A 33 10.436 -5.422 -16.149 1.00 0.00 C ATOM 502 OG SER A 33 10.047 -5.222 -14.801 1.00 0.00 O ATOM 0 H SER A 33 7.990 -5.749 -16.031 1.00 0.00 H new ATOM 0 HA SER A 33 9.505 -3.652 -16.936 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.466 -6.489 -16.367 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.444 -5.037 -16.301 1.00 0.00 H new ATOM 0 HG SER A 33 9.547 -6.004 -14.485 1.00 0.00 H new ATOM 508 N THR A 34 10.966 -4.354 -18.981 1.00 0.00 N ATOM 509 CA THR A 34 11.469 -4.523 -20.338 1.00 0.00 C ATOM 510 C THR A 34 12.960 -4.841 -20.337 1.00 0.00 C ATOM 511 O THR A 34 13.401 -5.799 -20.972 1.00 0.00 O ATOM 512 CB THR A 34 11.224 -3.263 -21.189 1.00 0.00 C ATOM 513 OG1 THR A 34 10.351 -2.365 -20.496 1.00 0.00 O ATOM 514 CG2 THR A 34 10.619 -3.628 -22.536 1.00 0.00 C ATOM 0 H THR A 34 11.510 -3.709 -18.407 1.00 0.00 H new ATOM 0 HA THR A 34 10.923 -5.359 -20.775 1.00 0.00 H new ATOM 0 HB THR A 34 12.184 -2.776 -21.360 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.202 -1.566 -21.043 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.455 -2.722 -23.119 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.300 -4.287 -23.074 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.668 -4.137 -22.382 1.00 0.00 H new ATOM 522 N SER A 35 13.732 -4.031 -19.619 1.00 0.00 N ATOM 523 CA SER A 35 15.175 -4.224 -19.538 1.00 0.00 C ATOM 524 C SER A 35 15.530 -5.196 -18.418 1.00 0.00 C ATOM 525 O SER A 35 16.190 -4.827 -17.447 1.00 0.00 O ATOM 526 CB SER A 35 15.878 -2.884 -19.308 1.00 0.00 C ATOM 527 OG SER A 35 15.542 -2.343 -18.042 1.00 0.00 O ATOM 0 H SER A 35 13.382 -3.235 -19.085 1.00 0.00 H new ATOM 0 HA SER A 35 15.514 -4.646 -20.484 1.00 0.00 H new ATOM 0 HB2 SER A 35 16.957 -3.020 -19.374 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.596 -2.182 -20.093 1.00 0.00 H new ATOM 0 HG SER A 35 15.782 -2.982 -17.339 1.00 0.00 H new ATOM 533 N ALA A 36 15.088 -6.441 -18.561 1.00 0.00 N ATOM 534 CA ALA A 36 15.360 -7.469 -17.563 1.00 0.00 C ATOM 535 C ALA A 36 16.778 -8.010 -17.706 1.00 0.00 C ATOM 536 O ALA A 36 17.418 -8.371 -16.718 1.00 0.00 O ATOM 537 CB ALA A 36 14.347 -8.598 -17.678 1.00 0.00 C ATOM 0 H ALA A 36 14.540 -6.763 -19.359 1.00 0.00 H new ATOM 0 HA ALA A 36 15.270 -7.016 -16.576 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.562 -9.358 -16.927 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.343 -8.204 -17.518 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.408 -9.042 -18.672 1.00 0.00 H new ATOM 543 N ASP A 37 17.264 -8.066 -18.942 1.00 0.00 N ATOM 544 CA ASP A 37 18.607 -8.563 -19.214 1.00 0.00 C ATOM 545 C ASP A 37 19.658 -7.696 -18.527 1.00 0.00 C ATOM 546 O ASP A 37 20.808 -8.104 -18.373 1.00 0.00 O ATOM 547 CB ASP A 37 18.865 -8.600 -20.721 1.00 0.00 C ATOM 548 CG ASP A 37 18.138 -9.742 -21.405 1.00 0.00 C ATOM 549 OD1 ASP A 37 17.298 -10.389 -20.746 1.00 0.00 O ATOM 550 OD2 ASP A 37 18.411 -9.989 -22.599 1.00 0.00 O ATOM 0 H ASP A 37 16.747 -7.773 -19.771 1.00 0.00 H new ATOM 0 HA ASP A 37 18.680 -9.575 -18.815 1.00 0.00 H new ATOM 0 HB2 ASP A 37 18.550 -7.655 -21.164 1.00 0.00 H new ATOM 0 HB3 ASP A 37 19.936 -8.695 -20.901 1.00 0.00 H new ATOM 555 N GLU A 38 19.253 -6.499 -18.117 1.00 0.00 N ATOM 556 CA GLU A 38 20.161 -5.574 -17.448 1.00 0.00 C ATOM 557 C GLU A 38 20.864 -6.254 -16.276 1.00 0.00 C ATOM 558 O GLU A 38 21.993 -5.907 -15.929 1.00 0.00 O ATOM 559 CB GLU A 38 19.398 -4.343 -16.954 1.00 0.00 C ATOM 560 CG GLU A 38 19.166 -3.298 -18.033 1.00 0.00 C ATOM 561 CD GLU A 38 20.269 -2.259 -18.086 1.00 0.00 C ATOM 562 OE1 GLU A 38 21.332 -2.553 -18.672 1.00 0.00 O ATOM 563 OE2 GLU A 38 20.070 -1.153 -17.541 1.00 0.00 O ATOM 0 H GLU A 38 18.303 -6.147 -18.236 1.00 0.00 H new ATOM 0 HA GLU A 38 20.915 -5.260 -18.170 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.435 -4.659 -16.553 1.00 0.00 H new ATOM 0 HB3 GLU A 38 19.951 -3.888 -16.132 1.00 0.00 H new ATOM 0 HG2 GLU A 38 19.091 -3.792 -19.002 1.00 0.00 H new ATOM 0 HG3 GLU A 38 18.213 -2.801 -17.853 1.00 0.00 H new ATOM 570 N VAL A 39 20.187 -7.224 -15.670 1.00 0.00 N ATOM 571 CA VAL A 39 20.746 -7.953 -14.538 1.00 0.00 C ATOM 572 C VAL A 39 20.880 -9.439 -14.853 1.00 0.00 C ATOM 573 O VAL A 39 21.665 -10.148 -14.224 1.00 0.00 O ATOM 574 CB VAL A 39 19.877 -7.784 -13.277 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.443 -8.209 -13.555 1.00 0.00 C ATOM 576 CG2 VAL A 39 20.461 -8.577 -12.118 1.00 0.00 C ATOM 0 H VAL A 39 19.251 -7.523 -15.944 1.00 0.00 H new ATOM 0 HA VAL A 39 21.734 -7.534 -14.349 1.00 0.00 H new ATOM 0 HB VAL A 39 19.871 -6.730 -13.000 1.00 0.00 H new ATOM 0 HG11 VAL A 39 17.845 -8.083 -12.653 1.00 0.00 H new ATOM 0 HG12 VAL A 39 18.029 -7.594 -14.354 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.426 -9.256 -13.858 1.00 0.00 H new ATOM 0 HG21 VAL A 39 19.835 -8.446 -11.236 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.499 -9.634 -12.383 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.468 -8.220 -11.904 1.00 0.00 H new ATOM 586 N GLN A 40 20.109 -9.902 -15.831 1.00 0.00 N ATOM 587 CA GLN A 40 20.142 -11.304 -16.230 1.00 0.00 C ATOM 588 C GLN A 40 21.563 -11.740 -16.570 1.00 0.00 C ATOM 589 O GLN A 40 21.891 -12.925 -16.510 1.00 0.00 O ATOM 590 CB GLN A 40 19.224 -11.537 -17.431 1.00 0.00 C ATOM 591 CG GLN A 40 18.699 -12.960 -17.529 1.00 0.00 C ATOM 592 CD GLN A 40 19.276 -13.715 -18.711 1.00 0.00 C ATOM 593 OE1 GLN A 40 19.443 -13.158 -19.796 1.00 0.00 O ATOM 594 NE2 GLN A 40 19.585 -14.990 -18.505 1.00 0.00 N ATOM 0 H GLN A 40 19.454 -9.327 -16.362 1.00 0.00 H new ATOM 0 HA GLN A 40 19.789 -11.902 -15.390 1.00 0.00 H new ATOM 0 HB2 GLN A 40 18.380 -10.850 -17.371 1.00 0.00 H new ATOM 0 HB3 GLN A 40 19.767 -11.295 -18.345 1.00 0.00 H new ATOM 0 HG2 GLN A 40 18.937 -13.495 -16.610 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.612 -12.937 -17.613 1.00 0.00 H new ATOM 0 HE21 GLN A 40 19.430 -15.411 -17.589 1.00 0.00 H new ATOM 0 HE22 GLN A 40 19.978 -15.548 -19.263 1.00 0.00 H new ATOM 603 N ARG A 41 22.404 -10.774 -16.928 1.00 0.00 N ATOM 604 CA ARG A 41 23.789 -11.059 -17.280 1.00 0.00 C ATOM 605 C ARG A 41 24.749 -10.310 -16.359 1.00 0.00 C ATOM 606 O ARG A 41 25.963 -10.344 -16.551 1.00 0.00 O ATOM 607 CB ARG A 41 24.058 -10.674 -18.736 1.00 0.00 C ATOM 608 CG ARG A 41 23.824 -9.201 -19.029 1.00 0.00 C ATOM 609 CD ARG A 41 24.653 -8.731 -20.214 1.00 0.00 C ATOM 610 NE ARG A 41 24.094 -9.182 -21.486 1.00 0.00 N ATOM 611 CZ ARG A 41 24.648 -8.921 -22.665 1.00 0.00 C ATOM 612 NH1 ARG A 41 25.769 -8.217 -22.734 1.00 0.00 N ATOM 613 NH2 ARG A 41 24.079 -9.366 -23.779 1.00 0.00 N ATOM 0 H ARG A 41 22.150 -9.788 -16.982 1.00 0.00 H new ATOM 0 HA ARG A 41 23.955 -12.129 -17.158 1.00 0.00 H new ATOM 0 HB2 ARG A 41 25.089 -10.926 -18.985 1.00 0.00 H new ATOM 0 HB3 ARG A 41 23.418 -11.271 -19.385 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.767 -9.033 -19.234 1.00 0.00 H new ATOM 0 HG3 ARG A 41 24.076 -8.609 -18.149 1.00 0.00 H new ATOM 0 HD2 ARG A 41 24.709 -7.642 -20.208 1.00 0.00 H new ATOM 0 HD3 ARG A 41 25.673 -9.103 -20.114 1.00 0.00 H new ATOM 0 HE ARG A 41 23.232 -9.727 -21.468 1.00 0.00 H new ATOM 0 HH11 ARG A 41 26.209 -7.874 -21.880 1.00 0.00 H new ATOM 0 HH12 ARG A 41 26.192 -8.019 -23.641 1.00 0.00 H new ATOM 0 HH21 ARG A 41 23.216 -9.908 -23.730 1.00 0.00 H new ATOM 0 HH22 ARG A 41 24.504 -9.166 -24.684 1.00 0.00 H new ATOM 627 N MET A 42 24.193 -9.633 -15.359 1.00 0.00 N ATOM 628 CA MET A 42 24.999 -8.876 -14.409 1.00 0.00 C ATOM 629 C MET A 42 24.548 -9.145 -12.977 1.00 0.00 C ATOM 630 O MET A 42 24.761 -8.325 -12.084 1.00 0.00 O ATOM 631 CB MET A 42 24.911 -7.379 -14.710 1.00 0.00 C ATOM 632 CG MET A 42 25.025 -7.049 -16.190 1.00 0.00 C ATOM 633 SD MET A 42 26.047 -5.596 -16.500 1.00 0.00 S ATOM 634 CE MET A 42 26.843 -6.063 -18.035 1.00 0.00 C ATOM 0 H MET A 42 23.189 -9.593 -15.186 1.00 0.00 H new ATOM 0 HA MET A 42 26.035 -9.200 -14.512 1.00 0.00 H new ATOM 0 HB2 MET A 42 23.963 -6.996 -14.333 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.702 -6.861 -14.168 1.00 0.00 H new ATOM 0 HG2 MET A 42 25.447 -7.904 -16.718 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.029 -6.882 -16.599 1.00 0.00 H new ATOM 0 HE1 MET A 42 27.510 -5.263 -18.357 1.00 0.00 H new ATOM 0 HE2 MET A 42 27.418 -6.976 -17.883 1.00 0.00 H new ATOM 0 HE3 MET A 42 26.086 -6.234 -18.800 1.00 0.00 H new ATOM 644 N MET A 43 23.923 -10.299 -12.765 1.00 0.00 N ATOM 645 CA MET A 43 23.443 -10.677 -11.441 1.00 0.00 C ATOM 646 C MET A 43 24.587 -11.195 -10.575 1.00 0.00 C ATOM 647 O MET A 43 24.490 -11.211 -9.348 1.00 0.00 O ATOM 648 CB MET A 43 22.351 -11.742 -11.556 1.00 0.00 C ATOM 649 CG MET A 43 22.845 -13.058 -12.136 1.00 0.00 C ATOM 650 SD MET A 43 21.525 -14.015 -12.906 1.00 0.00 S ATOM 651 CE MET A 43 22.472 -15.284 -13.744 1.00 0.00 C ATOM 0 H MET A 43 23.737 -10.988 -13.493 1.00 0.00 H new ATOM 0 HA MET A 43 23.025 -9.789 -10.966 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.928 -11.925 -10.568 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.545 -11.358 -12.181 1.00 0.00 H new ATOM 0 HG2 MET A 43 23.621 -12.857 -12.874 1.00 0.00 H new ATOM 0 HG3 MET A 43 23.304 -13.650 -11.344 1.00 0.00 H new ATOM 0 HE1 MET A 43 21.794 -15.957 -14.269 1.00 0.00 H new ATOM 0 HE2 MET A 43 23.149 -14.819 -14.461 1.00 0.00 H new ATOM 0 HE3 MET A 43 23.050 -15.849 -13.013 1.00 0.00 H new ATOM 661 N ALA A 44 25.668 -11.618 -11.222 1.00 0.00 N ATOM 662 CA ALA A 44 26.830 -12.135 -10.510 1.00 0.00 C ATOM 663 C ALA A 44 27.918 -11.073 -10.391 1.00 0.00 C ATOM 664 O ALA A 44 28.996 -11.333 -9.857 1.00 0.00 O ATOM 665 CB ALA A 44 27.372 -13.371 -11.211 1.00 0.00 C ATOM 0 H ALA A 44 25.763 -11.613 -12.238 1.00 0.00 H new ATOM 0 HA ALA A 44 26.515 -12.410 -9.503 1.00 0.00 H new ATOM 0 HB1 ALA A 44 28.240 -13.746 -10.668 1.00 0.00 H new ATOM 0 HB2 ALA A 44 26.601 -14.141 -11.239 1.00 0.00 H new ATOM 0 HB3 ALA A 44 27.665 -13.113 -12.229 1.00 0.00 H new ATOM 671 N GLU A 45 27.628 -9.876 -10.892 1.00 0.00 N ATOM 672 CA GLU A 45 28.584 -8.776 -10.843 1.00 0.00 C ATOM 673 C GLU A 45 28.003 -7.585 -10.086 1.00 0.00 C ATOM 674 O GLU A 45 28.523 -6.471 -10.168 1.00 0.00 O ATOM 675 CB GLU A 45 28.980 -8.351 -12.258 1.00 0.00 C ATOM 676 CG GLU A 45 27.929 -7.504 -12.956 1.00 0.00 C ATOM 677 CD GLU A 45 28.326 -7.131 -14.371 1.00 0.00 C ATOM 678 OE1 GLU A 45 28.423 -8.041 -15.220 1.00 0.00 O ATOM 679 OE2 GLU A 45 28.539 -5.928 -14.629 1.00 0.00 O ATOM 0 H GLU A 45 26.740 -9.644 -11.336 1.00 0.00 H new ATOM 0 HA GLU A 45 29.472 -9.123 -10.315 1.00 0.00 H new ATOM 0 HB2 GLU A 45 29.914 -7.791 -12.212 1.00 0.00 H new ATOM 0 HB3 GLU A 45 29.172 -9.242 -12.856 1.00 0.00 H new ATOM 0 HG2 GLU A 45 26.985 -8.049 -12.979 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.758 -6.595 -12.379 1.00 0.00 H new ATOM 686 N ILE A 46 26.923 -7.828 -9.351 1.00 0.00 N ATOM 687 CA ILE A 46 26.273 -6.776 -8.580 1.00 0.00 C ATOM 688 C ILE A 46 26.458 -6.998 -7.082 1.00 0.00 C ATOM 689 O ILE A 46 26.555 -6.043 -6.310 1.00 0.00 O ATOM 690 CB ILE A 46 24.767 -6.698 -8.893 1.00 0.00 C ATOM 691 CG1 ILE A 46 24.154 -8.100 -8.911 1.00 0.00 C ATOM 692 CG2 ILE A 46 24.538 -5.997 -10.224 1.00 0.00 C ATOM 693 CD1 ILE A 46 22.825 -8.188 -8.193 1.00 0.00 C ATOM 0 H ILE A 46 26.480 -8.744 -9.273 1.00 0.00 H new ATOM 0 HA ILE A 46 26.745 -5.836 -8.867 1.00 0.00 H new ATOM 0 HB ILE A 46 24.278 -6.118 -8.110 1.00 0.00 H new ATOM 0 HG12 ILE A 46 24.020 -8.416 -9.946 1.00 0.00 H new ATOM 0 HG13 ILE A 46 24.853 -8.799 -8.452 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.469 -5.950 -10.431 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.944 -4.986 -10.177 1.00 0.00 H new ATOM 0 HG23 ILE A 46 25.037 -6.552 -11.018 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.450 -9.210 -8.246 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.956 -7.903 -7.149 1.00 0.00 H new ATOM 0 HD13 ILE A 46 22.111 -7.514 -8.666 1.00 0.00 H new ATOM 705 N ASP A 47 26.507 -8.262 -6.679 1.00 0.00 N ATOM 706 CA ASP A 47 26.684 -8.610 -5.274 1.00 0.00 C ATOM 707 C ASP A 47 26.714 -10.124 -5.088 1.00 0.00 C ATOM 708 O ASP A 47 27.566 -10.657 -4.377 1.00 0.00 O ATOM 709 CB ASP A 47 25.562 -8.003 -4.431 1.00 0.00 C ATOM 710 CG ASP A 47 26.059 -7.475 -3.099 1.00 0.00 C ATOM 711 OD1 ASP A 47 27.020 -8.056 -2.552 1.00 0.00 O ATOM 712 OD2 ASP A 47 25.487 -6.481 -2.603 1.00 0.00 O ATOM 0 H ASP A 47 26.427 -9.063 -7.305 1.00 0.00 H new ATOM 0 HA ASP A 47 27.639 -8.202 -4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 47 25.092 -7.192 -4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 47 24.794 -8.757 -4.256 1.00 0.00 H new ATOM 717 N THR A 48 25.776 -10.813 -5.732 1.00 0.00 N ATOM 718 CA THR A 48 25.693 -12.265 -5.637 1.00 0.00 C ATOM 719 C THR A 48 27.038 -12.914 -5.942 1.00 0.00 C ATOM 720 O THR A 48 27.548 -12.812 -7.059 1.00 0.00 O ATOM 721 CB THR A 48 24.632 -12.831 -6.599 1.00 0.00 C ATOM 722 OG1 THR A 48 23.415 -12.087 -6.479 1.00 0.00 O ATOM 723 CG2 THR A 48 24.365 -14.300 -6.307 1.00 0.00 C ATOM 0 H THR A 48 25.063 -10.388 -6.325 1.00 0.00 H new ATOM 0 HA THR A 48 25.405 -12.499 -4.612 1.00 0.00 H new ATOM 0 HB THR A 48 25.013 -12.743 -7.617 1.00 0.00 H new ATOM 0 HG1 THR A 48 23.024 -11.954 -7.368 1.00 0.00 H new ATOM 0 HG21 THR A 48 23.612 -14.678 -6.999 1.00 0.00 H new ATOM 0 HG22 THR A 48 25.287 -14.868 -6.428 1.00 0.00 H new ATOM 0 HG23 THR A 48 24.004 -14.408 -5.284 1.00 0.00 H new ATOM 731 N ASP A 49 27.608 -13.580 -4.945 1.00 0.00 N ATOM 732 CA ASP A 49 28.895 -14.248 -5.108 1.00 0.00 C ATOM 733 C ASP A 49 28.755 -15.754 -4.906 1.00 0.00 C ATOM 734 O ASP A 49 29.621 -16.528 -5.310 1.00 0.00 O ATOM 735 CB ASP A 49 29.916 -13.681 -4.121 1.00 0.00 C ATOM 736 CG ASP A 49 31.337 -14.081 -4.466 1.00 0.00 C ATOM 737 OD1 ASP A 49 31.778 -15.157 -4.011 1.00 0.00 O ATOM 738 OD2 ASP A 49 32.010 -13.317 -5.190 1.00 0.00 O ATOM 0 H ASP A 49 27.200 -13.672 -4.015 1.00 0.00 H new ATOM 0 HA ASP A 49 29.245 -14.067 -6.124 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.840 -12.594 -4.109 1.00 0.00 H new ATOM 0 HB3 ASP A 49 29.677 -14.029 -3.116 1.00 0.00 H new ATOM 743 N GLY A 50 27.657 -16.162 -4.276 1.00 0.00 N ATOM 744 CA GLY A 50 27.424 -17.573 -4.030 1.00 0.00 C ATOM 745 C GLY A 50 27.198 -18.355 -5.309 1.00 0.00 C ATOM 746 O GLY A 50 28.085 -18.438 -6.159 1.00 0.00 O ATOM 0 H GLY A 50 26.925 -15.540 -3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 50 28.278 -17.992 -3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 50 26.556 -17.687 -3.380 1.00 0.00 H new ATOM 750 N ASP A 51 26.009 -18.931 -5.446 1.00 0.00 N ATOM 751 CA ASP A 51 25.669 -19.711 -6.630 1.00 0.00 C ATOM 752 C ASP A 51 24.594 -19.009 -7.453 1.00 0.00 C ATOM 753 O ASP A 51 24.425 -19.287 -8.640 1.00 0.00 O ATOM 754 CB ASP A 51 25.190 -21.107 -6.228 1.00 0.00 C ATOM 755 CG ASP A 51 26.003 -21.692 -5.090 1.00 0.00 C ATOM 756 OD1 ASP A 51 27.193 -22.001 -5.308 1.00 0.00 O ATOM 757 OD2 ASP A 51 25.449 -21.840 -3.980 1.00 0.00 O ATOM 0 H ASP A 51 25.264 -18.872 -4.752 1.00 0.00 H new ATOM 0 HA ASP A 51 26.566 -19.805 -7.242 1.00 0.00 H new ATOM 0 HB2 ASP A 51 24.142 -21.058 -5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 51 25.248 -21.770 -7.091 1.00 0.00 H new ATOM 762 N GLY A 52 23.867 -18.097 -6.814 1.00 0.00 N ATOM 763 CA GLY A 52 22.817 -17.369 -7.502 1.00 0.00 C ATOM 764 C GLY A 52 21.635 -17.068 -6.601 1.00 0.00 C ATOM 765 O GLY A 52 20.498 -17.418 -6.919 1.00 0.00 O ATOM 0 H GLY A 52 23.987 -17.850 -5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 52 23.221 -16.434 -7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.478 -17.950 -8.359 1.00 0.00 H new ATOM 769 N PHE A 53 21.903 -16.417 -5.474 1.00 0.00 N ATOM 770 CA PHE A 53 20.854 -16.071 -4.523 1.00 0.00 C ATOM 771 C PHE A 53 21.157 -14.741 -3.838 1.00 0.00 C ATOM 772 O PHE A 53 22.257 -14.203 -3.965 1.00 0.00 O ATOM 773 CB PHE A 53 20.702 -17.175 -3.474 1.00 0.00 C ATOM 774 CG PHE A 53 20.304 -18.502 -4.054 1.00 0.00 C ATOM 775 CD1 PHE A 53 21.260 -19.362 -4.569 1.00 0.00 C ATOM 776 CD2 PHE A 53 18.974 -18.889 -4.083 1.00 0.00 C ATOM 777 CE1 PHE A 53 20.898 -20.584 -5.103 1.00 0.00 C ATOM 778 CE2 PHE A 53 18.606 -20.111 -4.615 1.00 0.00 C ATOM 779 CZ PHE A 53 19.569 -20.959 -5.127 1.00 0.00 C ATOM 0 H PHE A 53 22.838 -16.118 -5.197 1.00 0.00 H new ATOM 0 HA PHE A 53 19.918 -15.971 -5.073 1.00 0.00 H new ATOM 0 HB2 PHE A 53 21.645 -17.289 -2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.955 -16.869 -2.742 1.00 0.00 H new ATOM 0 HD1 PHE A 53 22.301 -19.074 -4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 53 18.217 -18.229 -3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 53 21.654 -21.245 -5.501 1.00 0.00 H new ATOM 0 HE2 PHE A 53 17.566 -20.402 -4.630 1.00 0.00 H new ATOM 0 HZ PHE A 53 19.283 -21.913 -5.545 1.00 0.00 H new ATOM 789 N ILE A 54 20.174 -14.218 -3.114 1.00 0.00 N ATOM 790 CA ILE A 54 20.335 -12.952 -2.409 1.00 0.00 C ATOM 791 C ILE A 54 19.396 -12.867 -1.211 1.00 0.00 C ATOM 792 O ILE A 54 18.188 -13.063 -1.341 1.00 0.00 O ATOM 793 CB ILE A 54 20.073 -11.753 -3.339 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.821 -11.998 -4.183 1.00 0.00 C ATOM 795 CG2 ILE A 54 21.280 -11.501 -4.231 1.00 0.00 C ATOM 796 CD1 ILE A 54 18.497 -10.862 -5.127 1.00 0.00 C ATOM 0 H ILE A 54 19.258 -14.651 -3.000 1.00 0.00 H new ATOM 0 HA ILE A 54 21.367 -12.913 -2.062 1.00 0.00 H new ATOM 0 HB ILE A 54 19.907 -10.867 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.955 -12.913 -4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.972 -12.162 -3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 54 21.080 -10.651 -4.883 1.00 0.00 H new ATOM 0 HG22 ILE A 54 22.151 -11.287 -3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.475 -12.385 -4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.598 -11.105 -5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.330 -9.950 -4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.329 -10.712 -5.815 1.00 0.00 H new ATOM 808 N ASP A 55 19.960 -12.571 -0.045 1.00 0.00 N ATOM 809 CA ASP A 55 19.173 -12.457 1.178 1.00 0.00 C ATOM 810 C ASP A 55 18.276 -11.223 1.133 1.00 0.00 C ATOM 811 O ASP A 55 17.051 -11.336 1.079 1.00 0.00 O ATOM 812 CB ASP A 55 20.093 -12.389 2.398 1.00 0.00 C ATOM 813 CG ASP A 55 20.874 -13.671 2.606 1.00 0.00 C ATOM 814 OD1 ASP A 55 20.301 -14.631 3.163 1.00 0.00 O ATOM 815 OD2 ASP A 55 22.058 -13.716 2.212 1.00 0.00 O ATOM 0 H ASP A 55 20.959 -12.406 0.079 1.00 0.00 H new ATOM 0 HA ASP A 55 18.541 -13.342 1.258 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.789 -11.558 2.279 1.00 0.00 H new ATOM 0 HB3 ASP A 55 19.498 -12.181 3.287 1.00 0.00 H new ATOM 820 N PHE A 56 18.894 -10.047 1.155 1.00 0.00 N ATOM 821 CA PHE A 56 18.151 -8.793 1.119 1.00 0.00 C ATOM 822 C PHE A 56 19.053 -7.639 0.690 1.00 0.00 C ATOM 823 O PHE A 56 18.741 -6.910 -0.251 1.00 0.00 O ATOM 824 CB PHE A 56 17.543 -8.496 2.491 1.00 0.00 C ATOM 825 CG PHE A 56 16.784 -7.200 2.543 1.00 0.00 C ATOM 826 CD1 PHE A 56 15.780 -6.933 1.627 1.00 0.00 C ATOM 827 CD2 PHE A 56 17.075 -6.250 3.508 1.00 0.00 C ATOM 828 CE1 PHE A 56 15.081 -5.742 1.672 1.00 0.00 C ATOM 829 CE2 PHE A 56 16.379 -5.057 3.559 1.00 0.00 C ATOM 830 CZ PHE A 56 15.380 -4.803 2.640 1.00 0.00 C ATOM 0 H PHE A 56 19.907 -9.936 1.198 1.00 0.00 H new ATOM 0 HA PHE A 56 17.349 -8.896 0.388 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.874 -9.311 2.767 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.339 -8.472 3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 56 15.541 -7.664 0.869 1.00 0.00 H new ATOM 0 HD2 PHE A 56 17.855 -6.444 4.229 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.301 -5.545 0.951 1.00 0.00 H new ATOM 0 HE2 PHE A 56 16.616 -4.325 4.316 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.834 -3.872 2.678 1.00 0.00 H new ATOM 840 N ASN A 57 20.173 -7.481 1.387 1.00 0.00 N ATOM 841 CA ASN A 57 21.121 -6.415 1.080 1.00 0.00 C ATOM 842 C ASN A 57 21.493 -6.428 -0.400 1.00 0.00 C ATOM 843 O ASN A 57 21.525 -5.385 -1.050 1.00 0.00 O ATOM 844 CB ASN A 57 22.381 -6.562 1.936 1.00 0.00 C ATOM 845 CG ASN A 57 22.864 -5.235 2.486 1.00 0.00 C ATOM 846 OD1 ASN A 57 24.016 -4.849 2.284 1.00 0.00 O ATOM 847 ND2 ASN A 57 21.984 -4.529 3.186 1.00 0.00 N ATOM 0 H ASN A 57 20.447 -8.077 2.168 1.00 0.00 H new ATOM 0 HA ASN A 57 20.644 -5.462 1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.178 -7.243 2.763 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.172 -7.014 1.338 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.252 -3.628 3.581 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.040 -4.888 3.328 1.00 0.00 H new ATOM 854 N GLU A 58 21.772 -7.618 -0.923 1.00 0.00 N ATOM 855 CA GLU A 58 22.142 -7.766 -2.326 1.00 0.00 C ATOM 856 C GLU A 58 20.933 -7.555 -3.233 1.00 0.00 C ATOM 857 O GLU A 58 21.068 -7.110 -4.373 1.00 0.00 O ATOM 858 CB GLU A 58 22.744 -9.151 -2.574 1.00 0.00 C ATOM 859 CG GLU A 58 23.994 -9.427 -1.755 1.00 0.00 C ATOM 860 CD GLU A 58 23.856 -10.656 -0.876 1.00 0.00 C ATOM 861 OE1 GLU A 58 22.772 -10.841 -0.284 1.00 0.00 O ATOM 862 OE2 GLU A 58 24.830 -11.430 -0.781 1.00 0.00 O ATOM 0 H GLU A 58 21.749 -8.492 -0.398 1.00 0.00 H new ATOM 0 HA GLU A 58 22.887 -7.006 -2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 58 21.995 -9.910 -2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 58 22.984 -9.249 -3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 58 24.842 -9.559 -2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 58 24.213 -8.561 -1.131 1.00 0.00 H new ATOM 869 N PHE A 59 19.752 -7.879 -2.718 1.00 0.00 N ATOM 870 CA PHE A 59 18.518 -7.727 -3.481 1.00 0.00 C ATOM 871 C PHE A 59 18.152 -6.254 -3.635 1.00 0.00 C ATOM 872 O PHE A 59 17.529 -5.858 -4.621 1.00 0.00 O ATOM 873 CB PHE A 59 17.375 -8.480 -2.797 1.00 0.00 C ATOM 874 CG PHE A 59 16.012 -8.029 -3.239 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.480 -8.464 -4.442 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.262 -7.171 -2.450 1.00 0.00 C ATOM 877 CE1 PHE A 59 14.226 -8.049 -4.851 1.00 0.00 C ATOM 878 CE2 PHE A 59 14.008 -6.754 -2.853 1.00 0.00 C ATOM 879 CZ PHE A 59 13.489 -7.194 -4.055 1.00 0.00 C ATOM 0 H PHE A 59 19.623 -8.248 -1.776 1.00 0.00 H new ATOM 0 HA PHE A 59 18.679 -8.149 -4.473 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.480 -9.546 -3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.460 -8.351 -1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 59 16.051 -9.135 -5.067 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.663 -6.824 -1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.823 -8.393 -5.792 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.434 -6.085 -2.229 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.509 -6.870 -4.372 1.00 0.00 H new ATOM 889 N ILE A 60 18.542 -5.448 -2.653 1.00 0.00 N ATOM 890 CA ILE A 60 18.256 -4.019 -2.680 1.00 0.00 C ATOM 891 C ILE A 60 19.315 -3.261 -3.472 1.00 0.00 C ATOM 892 O ILE A 60 19.071 -2.154 -3.953 1.00 0.00 O ATOM 893 CB ILE A 60 18.179 -3.434 -1.257 1.00 0.00 C ATOM 894 CG1 ILE A 60 17.048 -4.100 -0.469 1.00 0.00 C ATOM 895 CG2 ILE A 60 17.976 -1.927 -1.314 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.668 -3.740 -0.972 1.00 0.00 C ATOM 0 H ILE A 60 19.057 -5.760 -1.829 1.00 0.00 H new ATOM 0 HA ILE A 60 17.288 -3.900 -3.167 1.00 0.00 H new ATOM 0 HB ILE A 60 19.120 -3.635 -0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 60 17.172 -5.182 -0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 60 17.130 -3.814 0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.924 -1.528 -0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.811 -1.467 -1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.048 -1.705 -1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.916 -4.248 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.524 -2.662 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.567 -4.051 -2.012 1.00 0.00 H new ATOM 908 N SER A 61 20.491 -3.864 -3.606 1.00 0.00 N ATOM 909 CA SER A 61 21.589 -3.245 -4.339 1.00 0.00 C ATOM 910 C SER A 61 21.186 -2.959 -5.783 1.00 0.00 C ATOM 911 O SER A 61 21.435 -1.873 -6.306 1.00 0.00 O ATOM 912 CB SER A 61 22.823 -4.150 -4.312 1.00 0.00 C ATOM 913 OG SER A 61 22.707 -5.198 -5.259 1.00 0.00 O ATOM 0 H SER A 61 20.708 -4.781 -3.216 1.00 0.00 H new ATOM 0 HA SER A 61 21.830 -2.299 -3.853 1.00 0.00 H new ATOM 0 HB2 SER A 61 23.715 -3.561 -4.524 1.00 0.00 H new ATOM 0 HB3 SER A 61 22.948 -4.570 -3.314 1.00 0.00 H new ATOM 0 HG SER A 61 22.128 -5.902 -4.899 1.00 0.00 H new ATOM 919 N PHE A 62 20.560 -3.943 -6.421 1.00 0.00 N ATOM 920 CA PHE A 62 20.122 -3.799 -7.805 1.00 0.00 C ATOM 921 C PHE A 62 18.718 -3.205 -7.872 1.00 0.00 C ATOM 922 O PHE A 62 18.314 -2.654 -8.897 1.00 0.00 O ATOM 923 CB PHE A 62 20.149 -5.154 -8.514 1.00 0.00 C ATOM 924 CG PHE A 62 18.867 -5.485 -9.224 1.00 0.00 C ATOM 925 CD1 PHE A 62 17.803 -6.044 -8.535 1.00 0.00 C ATOM 926 CD2 PHE A 62 18.727 -5.237 -10.580 1.00 0.00 C ATOM 927 CE1 PHE A 62 16.622 -6.349 -9.185 1.00 0.00 C ATOM 928 CE2 PHE A 62 17.548 -5.540 -11.235 1.00 0.00 C ATOM 929 CZ PHE A 62 16.495 -6.098 -10.537 1.00 0.00 C ATOM 0 H PHE A 62 20.345 -4.848 -6.002 1.00 0.00 H new ATOM 0 HA PHE A 62 20.809 -3.119 -8.309 1.00 0.00 H new ATOM 0 HB2 PHE A 62 20.967 -5.162 -9.235 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.362 -5.934 -7.783 1.00 0.00 H new ATOM 0 HD1 PHE A 62 17.897 -6.244 -7.478 1.00 0.00 H new ATOM 0 HD2 PHE A 62 19.548 -4.802 -11.131 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.799 -6.783 -8.636 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.450 -5.340 -12.292 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.574 -6.338 -11.048 1.00 0.00 H new ATOM 939 N CYS A 63 17.980 -3.321 -6.774 1.00 0.00 N ATOM 940 CA CYS A 63 16.620 -2.797 -6.707 1.00 0.00 C ATOM 941 C CYS A 63 16.623 -1.332 -6.285 1.00 0.00 C ATOM 942 O CYS A 63 15.893 -0.936 -5.377 1.00 0.00 O ATOM 943 CB CYS A 63 15.782 -3.621 -5.728 1.00 0.00 C ATOM 944 SG CYS A 63 15.133 -5.158 -6.425 1.00 0.00 S ATOM 0 H CYS A 63 18.300 -3.773 -5.918 1.00 0.00 H new ATOM 0 HA CYS A 63 16.179 -2.869 -7.701 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.391 -3.859 -4.856 1.00 0.00 H new ATOM 0 HB3 CYS A 63 14.948 -3.012 -5.378 1.00 0.00 H new ATOM 0 HG CYS A 63 15.970 -5.623 -7.304 1.00 0.00 H new ATOM 950 N ASN A 64 17.450 -0.531 -6.950 1.00 0.00 N ATOM 951 CA ASN A 64 17.549 0.891 -6.642 1.00 0.00 C ATOM 952 C ASN A 64 16.212 1.591 -6.867 1.00 0.00 C ATOM 953 O ASN A 64 15.818 2.463 -6.094 1.00 0.00 O ATOM 954 CB ASN A 64 18.631 1.546 -7.502 1.00 0.00 C ATOM 955 CG ASN A 64 20.030 1.128 -7.089 1.00 0.00 C ATOM 956 OD1 ASN A 64 20.262 0.747 -5.942 1.00 0.00 O ATOM 957 ND2 ASN A 64 20.969 1.199 -8.025 1.00 0.00 N ATOM 0 H ASN A 64 18.061 -0.843 -7.705 1.00 0.00 H new ATOM 0 HA ASN A 64 17.819 0.992 -5.591 1.00 0.00 H new ATOM 0 HB2 ASN A 64 18.470 1.282 -8.547 1.00 0.00 H new ATOM 0 HB3 ASN A 64 18.542 2.630 -7.429 1.00 0.00 H new ATOM 0 HD21 ASN A 64 21.929 0.932 -7.806 1.00 0.00 H new ATOM 0 HD22 ASN A 64 20.731 1.521 -8.963 1.00 0.00 H new ATOM 964 N ALA A 65 15.519 1.201 -7.932 1.00 0.00 N ATOM 965 CA ALA A 65 14.225 1.789 -8.258 1.00 0.00 C ATOM 966 C ALA A 65 14.341 3.296 -8.456 1.00 0.00 C ATOM 967 O ALA A 65 13.535 4.064 -7.933 1.00 0.00 O ATOM 968 CB ALA A 65 13.213 1.474 -7.167 1.00 0.00 C ATOM 0 H ALA A 65 15.832 0.481 -8.583 1.00 0.00 H new ATOM 0 HA ALA A 65 13.880 1.352 -9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.251 1.919 -7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.100 0.394 -7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.561 1.883 -6.219 1.00 0.00 H new ATOM 974 N ASN A 66 15.350 3.713 -9.214 1.00 0.00 N ATOM 975 CA ASN A 66 15.572 5.130 -9.480 1.00 0.00 C ATOM 976 C ASN A 66 14.629 5.633 -10.569 1.00 0.00 C ATOM 977 O ASN A 66 13.754 6.465 -10.331 1.00 0.00 O ATOM 978 CB ASN A 66 17.024 5.370 -9.896 1.00 0.00 C ATOM 979 CG ASN A 66 17.835 6.041 -8.804 1.00 0.00 C ATOM 980 OD1 ASN A 66 18.296 7.172 -8.964 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.013 5.345 -7.687 1.00 0.00 N ATOM 0 H ASN A 66 16.027 3.090 -9.655 1.00 0.00 H new ATOM 0 HA ASN A 66 15.368 5.683 -8.563 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.487 4.418 -10.156 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.045 5.989 -10.793 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.550 5.744 -6.917 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.612 4.411 -7.599 1.00 0.00 H new ATOM 988 N PRO A 67 14.810 5.116 -11.794 1.00 0.00 N ATOM 989 CA PRO A 67 13.985 5.498 -12.944 1.00 0.00 C ATOM 990 C PRO A 67 12.556 4.979 -12.829 1.00 0.00 C ATOM 991 O PRO A 67 11.606 5.657 -13.217 1.00 0.00 O ATOM 992 CB PRO A 67 14.700 4.840 -14.127 1.00 0.00 C ATOM 993 CG PRO A 67 15.433 3.687 -13.533 1.00 0.00 C ATOM 994 CD PRO A 67 15.834 4.120 -12.150 1.00 0.00 C ATOM 0 HA PRO A 67 13.888 6.580 -13.035 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.990 4.509 -14.885 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.384 5.536 -14.613 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.801 2.800 -13.496 1.00 0.00 H new ATOM 0 HG3 PRO A 67 16.308 3.431 -14.131 1.00 0.00 H new ATOM 0 HD2 PRO A 67 15.839 3.282 -11.452 1.00 0.00 H new ATOM 0 HD3 PRO A 67 16.835 4.551 -12.138 1.00 0.00 H new ATOM 1002 N GLY A 68 12.411 3.770 -12.293 1.00 0.00 N ATOM 1003 CA GLY A 68 11.094 3.181 -12.137 1.00 0.00 C ATOM 1004 C GLY A 68 11.058 1.723 -12.550 1.00 0.00 C ATOM 1005 O GLY A 68 10.087 1.264 -13.152 1.00 0.00 O ATOM 0 H GLY A 68 13.182 3.189 -11.964 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.781 3.268 -11.096 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.375 3.742 -12.734 1.00 0.00 H new ATOM 1009 N LEU A 69 12.120 0.993 -12.227 1.00 0.00 N ATOM 1010 CA LEU A 69 12.208 -0.423 -12.569 1.00 0.00 C ATOM 1011 C LEU A 69 11.583 -1.286 -11.479 1.00 0.00 C ATOM 1012 O LEU A 69 11.042 -2.357 -11.755 1.00 0.00 O ATOM 1013 CB LEU A 69 13.668 -0.827 -12.782 1.00 0.00 C ATOM 1014 CG LEU A 69 14.638 -0.451 -11.661 1.00 0.00 C ATOM 1015 CD1 LEU A 69 15.560 -1.617 -11.340 1.00 0.00 C ATOM 1016 CD2 LEU A 69 15.446 0.780 -12.046 1.00 0.00 C ATOM 0 H LEU A 69 12.932 1.358 -11.729 1.00 0.00 H new ATOM 0 HA LEU A 69 11.655 -0.583 -13.495 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.708 -1.907 -12.923 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.019 -0.371 -13.708 1.00 0.00 H new ATOM 0 HG LEU A 69 14.059 -0.216 -10.768 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.243 -1.331 -10.540 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.966 -2.473 -11.021 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.133 -1.883 -12.228 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.131 1.033 -11.237 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.015 0.573 -12.952 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.771 1.617 -12.225 1.00 0.00 H new ATOM 1028 N MET A 70 11.658 -0.812 -10.240 1.00 0.00 N ATOM 1029 CA MET A 70 11.096 -1.540 -9.108 1.00 0.00 C ATOM 1030 C MET A 70 9.918 -0.782 -8.505 1.00 0.00 C ATOM 1031 O MET A 70 9.070 -1.367 -7.830 1.00 0.00 O ATOM 1032 CB MET A 70 12.168 -1.772 -8.040 1.00 0.00 C ATOM 1033 CG MET A 70 13.533 -2.114 -8.614 1.00 0.00 C ATOM 1034 SD MET A 70 13.520 -3.637 -9.579 1.00 0.00 S ATOM 1035 CE MET A 70 12.535 -4.697 -8.524 1.00 0.00 C ATOM 0 H MET A 70 12.102 0.073 -9.994 1.00 0.00 H new ATOM 0 HA MET A 70 10.739 -2.504 -9.470 1.00 0.00 H new ATOM 0 HB2 MET A 70 12.256 -0.877 -7.424 1.00 0.00 H new ATOM 0 HB3 MET A 70 11.846 -2.580 -7.383 1.00 0.00 H new ATOM 0 HG2 MET A 70 13.874 -1.292 -9.244 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.251 -2.211 -7.800 1.00 0.00 H new ATOM 0 HE1 MET A 70 12.895 -5.723 -8.601 1.00 0.00 H new ATOM 0 HE2 MET A 70 12.617 -4.360 -7.491 1.00 0.00 H new ATOM 0 HE3 MET A 70 11.492 -4.654 -8.837 1.00 0.00 H new ATOM 1045 N LYS A 71 9.869 0.522 -8.753 1.00 0.00 N ATOM 1046 CA LYS A 71 8.794 1.361 -8.237 1.00 0.00 C ATOM 1047 C LYS A 71 7.564 1.283 -9.135 1.00 0.00 C ATOM 1048 O LYS A 71 6.431 1.382 -8.663 1.00 0.00 O ATOM 1049 CB LYS A 71 9.263 2.813 -8.120 1.00 0.00 C ATOM 1050 CG LYS A 71 8.479 3.625 -7.105 1.00 0.00 C ATOM 1051 CD LYS A 71 9.335 4.715 -6.482 1.00 0.00 C ATOM 1052 CE LYS A 71 8.609 5.409 -5.339 1.00 0.00 C ATOM 1053 NZ LYS A 71 9.105 6.798 -5.130 1.00 0.00 N ATOM 0 H LYS A 71 10.563 1.022 -9.309 1.00 0.00 H new ATOM 0 HA LYS A 71 8.523 0.993 -7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.318 2.824 -7.845 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.183 3.292 -9.096 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.612 4.074 -7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.102 2.966 -6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.266 4.283 -6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.603 5.448 -7.243 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.540 5.433 -5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.741 4.834 -4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.586 7.237 -4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.120 6.774 -4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.956 7.354 -5.996 1.00 0.00 H new ATOM 1067 N ASP A 72 7.794 1.103 -10.431 1.00 0.00 N ATOM 1068 CA ASP A 72 6.704 1.010 -11.395 1.00 0.00 C ATOM 1069 C ASP A 72 6.384 -0.448 -11.714 1.00 0.00 C ATOM 1070 O ASP A 72 5.825 -0.756 -12.766 1.00 0.00 O ATOM 1071 CB ASP A 72 7.065 1.758 -12.679 1.00 0.00 C ATOM 1072 CG ASP A 72 5.843 2.295 -13.399 1.00 0.00 C ATOM 1073 OD1 ASP A 72 5.324 3.350 -12.980 1.00 0.00 O ATOM 1074 OD2 ASP A 72 5.406 1.659 -14.382 1.00 0.00 O ATOM 0 H ASP A 72 8.725 1.019 -10.838 1.00 0.00 H new ATOM 0 HA ASP A 72 5.820 1.469 -10.952 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.734 2.584 -12.439 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.611 1.089 -13.345 1.00 0.00 H new ATOM 1079 N VAL A 73 6.744 -1.341 -10.798 1.00 0.00 N ATOM 1080 CA VAL A 73 6.495 -2.766 -10.980 1.00 0.00 C ATOM 1081 C VAL A 73 5.743 -3.350 -9.790 1.00 0.00 C ATOM 1082 O VAL A 73 4.961 -4.289 -9.937 1.00 0.00 O ATOM 1083 CB VAL A 73 7.810 -3.545 -11.175 1.00 0.00 C ATOM 1084 CG1 VAL A 73 8.192 -4.275 -9.897 1.00 0.00 C ATOM 1085 CG2 VAL A 73 7.686 -4.517 -12.338 1.00 0.00 C ATOM 0 H VAL A 73 7.209 -1.103 -9.922 1.00 0.00 H new ATOM 0 HA VAL A 73 5.884 -2.868 -11.877 1.00 0.00 H new ATOM 0 HB VAL A 73 8.602 -2.834 -11.409 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.123 -4.820 -10.054 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.325 -3.553 -9.091 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.402 -4.976 -9.629 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.624 -5.059 -12.461 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.882 -5.225 -12.136 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.463 -3.965 -13.251 1.00 0.00 H new ATOM 1095 N ALA A 74 5.984 -2.787 -8.611 1.00 0.00 N ATOM 1096 CA ALA A 74 5.327 -3.250 -7.395 1.00 0.00 C ATOM 1097 C ALA A 74 3.809 -3.211 -7.542 1.00 0.00 C ATOM 1098 O ALA A 74 3.096 -4.013 -6.939 1.00 0.00 O ATOM 1099 CB ALA A 74 5.765 -2.409 -6.205 1.00 0.00 C ATOM 0 H ALA A 74 6.629 -2.010 -8.472 1.00 0.00 H new ATOM 0 HA ALA A 74 5.623 -4.285 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.266 -2.766 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.845 -2.491 -6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.498 -1.366 -6.378 1.00 0.00 H new ATOM 1105 N LYS A 75 3.321 -2.272 -8.346 1.00 0.00 N ATOM 1106 CA LYS A 75 1.888 -2.128 -8.573 1.00 0.00 C ATOM 1107 C LYS A 75 1.439 -2.968 -9.765 1.00 0.00 C ATOM 1108 O LYS A 75 0.247 -3.212 -9.951 1.00 0.00 O ATOM 1109 CB LYS A 75 1.533 -0.658 -8.808 1.00 0.00 C ATOM 1110 CG LYS A 75 2.351 0.307 -7.967 1.00 0.00 C ATOM 1111 CD LYS A 75 2.128 0.078 -6.481 1.00 0.00 C ATOM 1112 CE LYS A 75 1.203 1.130 -5.888 1.00 0.00 C ATOM 1113 NZ LYS A 75 1.239 1.124 -4.399 1.00 0.00 N ATOM 0 H LYS A 75 3.897 -1.599 -8.851 1.00 0.00 H new ATOM 0 HA LYS A 75 1.367 -2.483 -7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.679 -0.422 -9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.475 -0.509 -8.591 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.409 0.187 -8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.082 1.332 -8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.702 -0.913 -6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.086 0.099 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.491 2.115 -6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.183 0.950 -6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.596 1.855 -4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.939 0.192 -4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.207 1.321 -4.074 1.00 0.00 H new ATOM 1127 N VAL A 76 2.402 -3.408 -10.569 1.00 0.00 N ATOM 1128 CA VAL A 76 2.105 -4.222 -11.741 1.00 0.00 C ATOM 1129 C VAL A 76 2.073 -5.705 -11.387 1.00 0.00 C ATOM 1130 O VAL A 76 2.534 -6.109 -10.319 1.00 0.00 O ATOM 1131 CB VAL A 76 3.141 -3.995 -12.859 1.00 0.00 C ATOM 1132 CG1 VAL A 76 2.589 -4.454 -14.200 1.00 0.00 C ATOM 1133 CG2 VAL A 76 3.552 -2.531 -12.915 1.00 0.00 C ATOM 0 H VAL A 76 3.394 -3.214 -10.430 1.00 0.00 H new ATOM 0 HA VAL A 76 1.122 -3.915 -12.098 1.00 0.00 H new ATOM 0 HB VAL A 76 4.027 -4.589 -12.636 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.335 -4.286 -14.977 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.350 -5.516 -14.151 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.687 -3.889 -14.435 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.284 -2.389 -13.710 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.676 -1.914 -13.114 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.991 -2.240 -11.961 1.00 0.00 H new ATOM 1143 N PHE A 77 1.526 -6.512 -12.290 1.00 0.00 N ATOM 1144 CA PHE A 77 1.433 -7.950 -12.073 1.00 0.00 C ATOM 1145 C PHE A 77 2.788 -8.529 -11.674 1.00 0.00 C ATOM 1146 O PHE A 77 2.914 -9.180 -10.637 1.00 0.00 O ATOM 1147 CB PHE A 77 0.921 -8.646 -13.336 1.00 0.00 C ATOM 1148 CG PHE A 77 -0.501 -8.302 -13.676 1.00 0.00 C ATOM 1149 CD1 PHE A 77 -1.548 -8.794 -12.913 1.00 0.00 C ATOM 1150 CD2 PHE A 77 -0.791 -7.486 -14.757 1.00 0.00 C ATOM 1151 CE1 PHE A 77 -2.857 -8.479 -13.223 1.00 0.00 C ATOM 1152 CE2 PHE A 77 -2.098 -7.167 -15.072 1.00 0.00 C ATOM 1153 CZ PHE A 77 -3.133 -7.663 -14.304 1.00 0.00 C ATOM 0 H PHE A 77 1.140 -6.194 -13.179 1.00 0.00 H new ATOM 0 HA PHE A 77 0.729 -8.124 -11.259 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.562 -8.376 -14.175 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.004 -9.725 -13.206 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.338 -9.431 -12.066 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.014 -7.094 -15.361 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.664 -8.870 -12.621 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.310 -6.530 -15.918 1.00 0.00 H new ATOM 0 HZ PHE A 77 -4.155 -7.414 -14.547 1.00 0.00 H new