USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=16 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 -118:sc= -0.818 (180deg=-1.6) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -98:sc= 0.325 USER MOD Single : A 18 LYS NZ :NH3+ -138:sc= -0.014 (180deg=-1.68!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 20:sc= -1.81 USER MOD Single : A 30 THR OG1 : rot -31:sc= 0.208 USER MOD Single : A 33 SER OG : rot 87:sc= 0.604 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -80:sc= 0.257 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 42 MET CE :methyl 176:sc= -0.576 (180deg=-0.595) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 120:sc= -0.059 USER MOD Single : A 57 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.011) USER MOD Single : A 61 SER OG : rot -92:sc= 0.998 USER MOD Single : A 63 CYS SG : rot 19:sc= 1.27 USER MOD Single : A 64 ASN : amide:sc= 0.211 K(o=0.21,f=-0.59) USER MOD Single : A 66 ASN : amide:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : A 70 MET CE :methyl -126:sc= -3.7 (180deg=-7.24!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -168:sc= 0.472 (180deg=0.405) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 7.450 -0.899 -3.142 1.00 0.00 N ATOM 24 CA ASP A 3 7.986 -0.866 -4.498 1.00 0.00 C ATOM 25 C ASP A 3 8.744 -2.151 -4.815 1.00 0.00 C ATOM 26 O ASP A 3 8.718 -2.636 -5.946 1.00 0.00 O ATOM 27 CB ASP A 3 8.908 0.341 -4.675 1.00 0.00 C ATOM 28 CG ASP A 3 8.218 1.650 -4.346 1.00 0.00 C ATOM 29 OD1 ASP A 3 7.459 2.152 -5.201 1.00 0.00 O ATOM 30 OD2 ASP A 3 8.438 2.174 -3.234 1.00 0.00 O ATOM 0 HA ASP A 3 7.149 -0.779 -5.191 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.782 0.224 -4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.268 0.372 -5.703 1.00 0.00 H new ATOM 35 N MET A 4 9.418 -2.698 -3.809 1.00 0.00 N ATOM 36 CA MET A 4 10.184 -3.927 -3.981 1.00 0.00 C ATOM 37 C MET A 4 9.755 -4.981 -2.964 1.00 0.00 C ATOM 38 O MET A 4 9.852 -6.180 -3.222 1.00 0.00 O ATOM 39 CB MET A 4 11.681 -3.646 -3.840 1.00 0.00 C ATOM 40 CG MET A 4 12.067 -3.079 -2.483 1.00 0.00 C ATOM 41 SD MET A 4 11.962 -1.280 -2.426 1.00 0.00 S ATOM 42 CE MET A 4 13.245 -0.829 -3.592 1.00 0.00 C ATOM 0 H MET A 4 9.449 -2.310 -2.866 1.00 0.00 H new ATOM 0 HA MET A 4 9.987 -4.311 -4.982 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.233 -4.570 -4.009 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.986 -2.946 -4.618 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.415 -3.501 -1.718 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.084 -3.387 -2.241 1.00 0.00 H new ATOM 0 HE1 MET A 4 14.018 -0.257 -3.079 1.00 0.00 H new ATOM 0 HE2 MET A 4 13.684 -1.732 -4.017 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.815 -0.224 -4.390 1.00 0.00 H new ATOM 52 N GLU A 5 9.280 -4.525 -1.809 1.00 0.00 N ATOM 53 CA GLU A 5 8.838 -5.430 -0.755 1.00 0.00 C ATOM 54 C GLU A 5 7.749 -6.368 -1.265 1.00 0.00 C ATOM 55 O GLU A 5 7.670 -7.526 -0.855 1.00 0.00 O ATOM 56 CB GLU A 5 8.321 -4.635 0.446 1.00 0.00 C ATOM 57 CG GLU A 5 9.320 -3.623 0.982 1.00 0.00 C ATOM 58 CD GLU A 5 10.560 -4.277 1.559 1.00 0.00 C ATOM 59 OE1 GLU A 5 10.425 -5.342 2.199 1.00 0.00 O ATOM 60 OE2 GLU A 5 11.664 -3.725 1.373 1.00 0.00 O ATOM 0 H GLU A 5 9.192 -3.535 -1.580 1.00 0.00 H new ATOM 0 HA GLU A 5 9.693 -6.030 -0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.407 -4.114 0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.056 -5.329 1.244 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.611 -2.945 0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.841 -3.018 1.752 1.00 0.00 H new ATOM 67 N ARG A 6 6.910 -5.860 -2.162 1.00 0.00 N ATOM 68 CA ARG A 6 5.824 -6.651 -2.727 1.00 0.00 C ATOM 69 C ARG A 6 6.366 -7.730 -3.660 1.00 0.00 C ATOM 70 O ARG A 6 5.632 -8.624 -4.083 1.00 0.00 O ATOM 71 CB ARG A 6 4.848 -5.749 -3.485 1.00 0.00 C ATOM 72 CG ARG A 6 3.584 -6.463 -3.937 1.00 0.00 C ATOM 73 CD ARG A 6 2.607 -5.502 -4.595 1.00 0.00 C ATOM 74 NE ARG A 6 1.387 -6.175 -5.032 1.00 0.00 N ATOM 75 CZ ARG A 6 1.318 -6.945 -6.113 1.00 0.00 C ATOM 76 NH1 ARG A 6 2.395 -7.137 -6.863 1.00 0.00 N ATOM 77 NH2 ARG A 6 0.172 -7.524 -6.445 1.00 0.00 N ATOM 0 H ARG A 6 6.962 -4.904 -2.513 1.00 0.00 H new ATOM 0 HA ARG A 6 5.296 -7.136 -1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.572 -4.909 -2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.353 -5.334 -4.358 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.844 -7.256 -4.638 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.107 -6.938 -3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.351 -4.708 -3.893 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.086 -5.028 -5.452 1.00 0.00 H new ATOM 0 HE ARG A 6 0.541 -6.047 -4.477 1.00 0.00 H new ATOM 0 HH11 ARG A 6 3.278 -6.693 -6.610 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.340 -7.728 -7.692 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.658 -7.379 -5.870 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.121 -8.115 -7.275 1.00 0.00 H new ATOM 91 N ILE A 7 7.653 -7.639 -3.977 1.00 0.00 N ATOM 92 CA ILE A 7 8.292 -8.608 -4.859 1.00 0.00 C ATOM 93 C ILE A 7 9.203 -9.548 -4.076 1.00 0.00 C ATOM 94 O ILE A 7 9.326 -10.727 -4.405 1.00 0.00 O ATOM 95 CB ILE A 7 9.116 -7.911 -5.957 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.566 -6.508 -6.226 1.00 0.00 C ATOM 97 CG2 ILE A 7 9.109 -8.741 -7.232 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.255 -5.797 -7.369 1.00 0.00 C ATOM 0 H ILE A 7 8.274 -6.905 -3.636 1.00 0.00 H new ATOM 0 HA ILE A 7 7.493 -9.185 -5.325 1.00 0.00 H new ATOM 0 HB ILE A 7 10.146 -7.817 -5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.500 -6.580 -6.443 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.667 -5.908 -5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.696 -8.235 -7.999 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.543 -9.721 -7.031 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.084 -8.863 -7.581 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.814 -4.809 -7.502 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.317 -5.693 -7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.132 -6.376 -8.284 1.00 0.00 H new ATOM 110 N PHE A 8 9.837 -9.017 -3.035 1.00 0.00 N ATOM 111 CA PHE A 8 10.736 -9.809 -2.203 1.00 0.00 C ATOM 112 C PHE A 8 9.965 -10.877 -1.433 1.00 0.00 C ATOM 113 O PHE A 8 10.324 -12.054 -1.453 1.00 0.00 O ATOM 114 CB PHE A 8 11.490 -8.904 -1.227 1.00 0.00 C ATOM 115 CG PHE A 8 12.140 -9.651 -0.098 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.294 -10.389 -0.311 1.00 0.00 C ATOM 117 CD2 PHE A 8 11.598 -9.616 1.177 1.00 0.00 C ATOM 118 CE1 PHE A 8 13.895 -11.078 0.726 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.195 -10.302 2.218 1.00 0.00 C ATOM 120 CZ PHE A 8 13.344 -11.035 1.992 1.00 0.00 C ATOM 0 H PHE A 8 9.745 -8.043 -2.748 1.00 0.00 H new ATOM 0 HA PHE A 8 11.454 -10.305 -2.856 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.254 -8.350 -1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 8 10.797 -8.170 -0.815 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.729 -10.426 -1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 8 10.699 -9.046 1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.794 -11.649 0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 8 11.764 -10.265 3.207 1.00 0.00 H new ATOM 0 HZ PHE A 8 13.811 -11.573 2.804 1.00 0.00 H new ATOM 130 N LYS A 9 8.903 -10.457 -0.754 1.00 0.00 N ATOM 131 CA LYS A 9 8.079 -11.375 0.024 1.00 0.00 C ATOM 132 C LYS A 9 7.403 -12.399 -0.882 1.00 0.00 C ATOM 133 O LYS A 9 7.027 -13.484 -0.437 1.00 0.00 O ATOM 134 CB LYS A 9 7.022 -10.600 0.813 1.00 0.00 C ATOM 135 CG LYS A 9 7.592 -9.802 1.973 1.00 0.00 C ATOM 136 CD LYS A 9 6.500 -9.081 2.745 1.00 0.00 C ATOM 137 CE LYS A 9 6.878 -8.899 4.207 1.00 0.00 C ATOM 138 NZ LYS A 9 7.851 -7.788 4.394 1.00 0.00 N ATOM 0 H LYS A 9 8.592 -9.486 -0.727 1.00 0.00 H new ATOM 0 HA LYS A 9 8.728 -11.905 0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.502 -9.921 0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.280 -11.301 1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.133 -10.470 2.644 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.313 -9.076 1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.315 -8.107 2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.570 -9.646 2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.980 -8.698 4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.307 -9.825 4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.083 -7.696 5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.718 -7.991 3.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.433 -6.899 4.053 1.00 0.00 H new ATOM 152 N ARG A 10 7.252 -12.048 -2.155 1.00 0.00 N ATOM 153 CA ARG A 10 6.622 -12.938 -3.123 1.00 0.00 C ATOM 154 C ARG A 10 7.571 -14.062 -3.527 1.00 0.00 C ATOM 155 O ARG A 10 7.179 -15.228 -3.586 1.00 0.00 O ATOM 156 CB ARG A 10 6.188 -12.152 -4.362 1.00 0.00 C ATOM 157 CG ARG A 10 4.683 -12.133 -4.575 1.00 0.00 C ATOM 158 CD ARG A 10 3.959 -11.535 -3.379 1.00 0.00 C ATOM 159 NE ARG A 10 2.599 -11.121 -3.713 1.00 0.00 N ATOM 160 CZ ARG A 10 1.736 -10.643 -2.824 1.00 0.00 C ATOM 161 NH1 ARG A 10 2.091 -10.518 -1.552 1.00 0.00 N ATOM 162 NH2 ARG A 10 0.516 -10.288 -3.205 1.00 0.00 N ATOM 0 H ARG A 10 7.557 -11.154 -2.540 1.00 0.00 H new ATOM 0 HA ARG A 10 5.743 -13.380 -2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.547 -11.127 -4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.665 -12.584 -5.242 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.448 -11.556 -5.470 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.326 -13.148 -4.748 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.927 -12.267 -2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.519 -10.676 -3.009 1.00 0.00 H new ATOM 0 HE ARG A 10 2.295 -11.204 -4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.028 -10.789 -1.255 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.427 -10.151 -0.871 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.239 -10.382 -4.182 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.145 -9.921 -2.521 1.00 0.00 H new ATOM 176 N PHE A 11 8.820 -13.704 -3.805 1.00 0.00 N ATOM 177 CA PHE A 11 9.825 -14.682 -4.205 1.00 0.00 C ATOM 178 C PHE A 11 10.370 -15.429 -2.992 1.00 0.00 C ATOM 179 O PHE A 11 10.878 -16.544 -3.112 1.00 0.00 O ATOM 180 CB PHE A 11 10.969 -13.993 -4.951 1.00 0.00 C ATOM 181 CG PHE A 11 10.603 -13.560 -6.342 1.00 0.00 C ATOM 182 CD1 PHE A 11 10.216 -14.491 -7.292 1.00 0.00 C ATOM 183 CD2 PHE A 11 10.646 -12.222 -6.700 1.00 0.00 C ATOM 184 CE1 PHE A 11 9.879 -14.096 -8.573 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.311 -11.821 -7.979 1.00 0.00 C ATOM 186 CZ PHE A 11 9.926 -12.759 -8.917 1.00 0.00 C ATOM 0 H PHE A 11 9.161 -12.744 -3.761 1.00 0.00 H new ATOM 0 HA PHE A 11 9.350 -15.403 -4.870 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.291 -13.122 -4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.820 -14.672 -5.003 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.177 -15.538 -7.029 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.945 -11.484 -5.971 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.579 -14.832 -9.304 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.350 -10.775 -8.245 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.662 -12.448 -9.917 1.00 0.00 H new ATOM 196 N ASP A 12 10.263 -14.805 -1.824 1.00 0.00 N ATOM 197 CA ASP A 12 10.744 -15.410 -0.587 1.00 0.00 C ATOM 198 C ASP A 12 9.725 -16.400 -0.033 1.00 0.00 C ATOM 199 O ASP A 12 9.268 -16.268 1.103 1.00 0.00 O ATOM 200 CB ASP A 12 11.040 -14.328 0.453 1.00 0.00 C ATOM 201 CG ASP A 12 11.822 -14.862 1.637 1.00 0.00 C ATOM 202 OD1 ASP A 12 12.136 -16.071 1.645 1.00 0.00 O ATOM 203 OD2 ASP A 12 12.122 -14.070 2.555 1.00 0.00 O ATOM 0 H ASP A 12 9.848 -13.881 -1.708 1.00 0.00 H new ATOM 0 HA ASP A 12 11.664 -15.951 -0.810 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.603 -13.521 -0.016 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.101 -13.899 0.805 1.00 0.00 H new ATOM 208 N THR A 13 9.370 -17.392 -0.843 1.00 0.00 N ATOM 209 CA THR A 13 8.403 -18.404 -0.436 1.00 0.00 C ATOM 210 C THR A 13 9.033 -19.792 -0.419 1.00 0.00 C ATOM 211 O THR A 13 8.332 -20.802 -0.459 1.00 0.00 O ATOM 212 CB THR A 13 7.179 -18.419 -1.371 1.00 0.00 C ATOM 213 OG1 THR A 13 7.584 -18.133 -2.714 1.00 0.00 O ATOM 214 CG2 THR A 13 6.141 -17.402 -0.921 1.00 0.00 C ATOM 0 H THR A 13 9.738 -17.516 -1.786 1.00 0.00 H new ATOM 0 HA THR A 13 8.078 -18.144 0.571 1.00 0.00 H new ATOM 0 HB THR A 13 6.732 -19.412 -1.331 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.420 -17.187 -2.911 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.286 -17.431 -1.597 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.812 -17.641 0.090 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.580 -16.404 -0.934 1.00 0.00 H new ATOM 255 N GLY A 17 15.071 -18.004 3.279 1.00 0.00 N ATOM 256 CA GLY A 17 14.987 -16.559 3.379 1.00 0.00 C ATOM 257 C GLY A 17 15.359 -15.866 2.083 1.00 0.00 C ATOM 258 O GLY A 17 14.737 -14.875 1.699 1.00 0.00 O ATOM 0 HA2 GLY A 17 13.973 -16.276 3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.647 -16.214 4.175 1.00 0.00 H new ATOM 262 N LYS A 18 16.377 -16.386 1.407 1.00 0.00 N ATOM 263 CA LYS A 18 16.833 -15.812 0.146 1.00 0.00 C ATOM 264 C LYS A 18 15.843 -16.110 -0.976 1.00 0.00 C ATOM 265 O LYS A 18 14.905 -16.887 -0.799 1.00 0.00 O ATOM 266 CB LYS A 18 18.214 -16.360 -0.219 1.00 0.00 C ATOM 267 CG LYS A 18 19.170 -16.432 0.959 1.00 0.00 C ATOM 268 CD LYS A 18 20.590 -16.730 0.508 1.00 0.00 C ATOM 269 CE LYS A 18 21.512 -16.975 1.692 1.00 0.00 C ATOM 270 NZ LYS A 18 22.219 -15.733 2.111 1.00 0.00 N ATOM 0 H LYS A 18 16.903 -17.205 1.711 1.00 0.00 H new ATOM 0 HA LYS A 18 16.900 -14.731 0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 18 18.099 -17.357 -0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.652 -15.731 -0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 18 19.151 -15.487 1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 18 18.838 -17.205 1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 18 20.590 -17.605 -0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 18 20.968 -15.895 -0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 18 20.932 -17.363 2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.244 -17.739 1.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 23.212 -15.955 2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.179 -15.034 1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 21.760 -15.341 2.958 1.00 0.00 H new ATOM 284 N ILE A 19 16.061 -15.489 -2.130 1.00 0.00 N ATOM 285 CA ILE A 19 15.189 -15.690 -3.282 1.00 0.00 C ATOM 286 C ILE A 19 15.992 -16.088 -4.515 1.00 0.00 C ATOM 287 O ILE A 19 17.124 -15.644 -4.702 1.00 0.00 O ATOM 288 CB ILE A 19 14.375 -14.422 -3.600 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.311 -13.258 -3.931 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.471 -14.065 -2.429 1.00 0.00 C ATOM 291 CD1 ILE A 19 14.584 -11.975 -4.268 1.00 0.00 C ATOM 0 H ILE A 19 16.833 -14.843 -2.293 1.00 0.00 H new ATOM 0 HA ILE A 19 14.503 -16.496 -3.022 1.00 0.00 H new ATOM 0 HB ILE A 19 13.749 -14.619 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.971 -13.080 -3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 19 15.944 -13.539 -4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.902 -13.167 -2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.784 -14.889 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.079 -13.884 -1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.310 -11.193 -4.492 1.00 0.00 H new ATOM 0 HD12 ILE A 19 13.945 -12.136 -5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 19 13.972 -11.670 -3.419 1.00 0.00 H new ATOM 303 N SER A 20 15.396 -16.928 -5.356 1.00 0.00 N ATOM 304 CA SER A 20 16.056 -17.388 -6.572 1.00 0.00 C ATOM 305 C SER A 20 16.440 -16.209 -7.462 1.00 0.00 C ATOM 306 O SER A 20 15.575 -15.520 -8.005 1.00 0.00 O ATOM 307 CB SER A 20 15.145 -18.347 -7.341 1.00 0.00 C ATOM 308 OG SER A 20 14.961 -19.558 -6.629 1.00 0.00 O ATOM 0 H SER A 20 14.458 -17.303 -5.217 1.00 0.00 H new ATOM 0 HA SER A 20 16.966 -17.915 -6.284 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.179 -17.874 -7.516 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.578 -18.559 -8.319 1.00 0.00 H new ATOM 0 HG SER A 20 14.374 -20.153 -7.141 1.00 0.00 H new ATOM 314 N LEU A 21 17.741 -15.984 -7.606 1.00 0.00 N ATOM 315 CA LEU A 21 18.241 -14.889 -8.430 1.00 0.00 C ATOM 316 C LEU A 21 17.960 -15.146 -9.907 1.00 0.00 C ATOM 317 O LEU A 21 17.186 -14.426 -10.537 1.00 0.00 O ATOM 318 CB LEU A 21 19.743 -14.703 -8.209 1.00 0.00 C ATOM 319 CG LEU A 21 20.339 -13.391 -8.720 1.00 0.00 C ATOM 320 CD1 LEU A 21 21.809 -13.572 -9.068 1.00 0.00 C ATOM 321 CD2 LEU A 21 19.562 -12.886 -9.927 1.00 0.00 C ATOM 0 H LEU A 21 18.469 -16.545 -7.163 1.00 0.00 H new ATOM 0 HA LEU A 21 17.721 -13.978 -8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.945 -14.779 -7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 21 20.266 -15.529 -8.692 1.00 0.00 H new ATOM 0 HG LEU A 21 20.263 -12.647 -7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.216 -12.628 -9.430 1.00 0.00 H new ATOM 0 HD12 LEU A 21 22.357 -13.887 -8.180 1.00 0.00 H new ATOM 0 HD13 LEU A 21 21.908 -14.331 -9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 21 20.000 -11.951 -10.277 1.00 0.00 H new ATOM 0 HD22 LEU A 21 19.605 -13.628 -10.724 1.00 0.00 H new ATOM 0 HD23 LEU A 21 18.523 -12.716 -9.646 1.00 0.00 H new ATOM 333 N SER A 22 18.594 -16.179 -10.453 1.00 0.00 N ATOM 334 CA SER A 22 18.415 -16.531 -11.857 1.00 0.00 C ATOM 335 C SER A 22 16.934 -16.574 -12.221 1.00 0.00 C ATOM 336 O SER A 22 16.569 -16.481 -13.392 1.00 0.00 O ATOM 337 CB SER A 22 19.063 -17.885 -12.152 1.00 0.00 C ATOM 338 OG SER A 22 18.869 -18.259 -13.505 1.00 0.00 O ATOM 0 H SER A 22 19.236 -16.787 -9.944 1.00 0.00 H new ATOM 0 HA SER A 22 18.899 -15.765 -12.463 1.00 0.00 H new ATOM 0 HB2 SER A 22 20.130 -17.836 -11.934 1.00 0.00 H new ATOM 0 HB3 SER A 22 18.638 -18.645 -11.497 1.00 0.00 H new ATOM 0 HG SER A 22 19.294 -19.127 -13.669 1.00 0.00 H new ATOM 344 N GLU A 23 16.085 -16.715 -11.207 1.00 0.00 N ATOM 345 CA GLU A 23 14.644 -16.771 -11.420 1.00 0.00 C ATOM 346 C GLU A 23 14.031 -15.374 -11.363 1.00 0.00 C ATOM 347 O GLU A 23 13.023 -15.099 -12.015 1.00 0.00 O ATOM 348 CB GLU A 23 13.986 -17.672 -10.373 1.00 0.00 C ATOM 349 CG GLU A 23 14.392 -19.131 -10.484 1.00 0.00 C ATOM 350 CD GLU A 23 13.818 -19.804 -11.716 1.00 0.00 C ATOM 351 OE1 GLU A 23 12.610 -19.628 -11.979 1.00 0.00 O ATOM 352 OE2 GLU A 23 14.576 -20.507 -12.417 1.00 0.00 O ATOM 0 H GLU A 23 16.371 -16.792 -10.231 1.00 0.00 H new ATOM 0 HA GLU A 23 14.465 -17.187 -12.411 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.243 -17.307 -9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.903 -17.597 -10.470 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.479 -19.201 -10.510 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.059 -19.666 -9.594 1.00 0.00 H new ATOM 359 N LEU A 24 14.646 -14.496 -10.578 1.00 0.00 N ATOM 360 CA LEU A 24 14.162 -13.128 -10.435 1.00 0.00 C ATOM 361 C LEU A 24 14.397 -12.330 -11.713 1.00 0.00 C ATOM 362 O LEU A 24 13.464 -11.770 -12.290 1.00 0.00 O ATOM 363 CB LEU A 24 14.855 -12.442 -9.257 1.00 0.00 C ATOM 364 CG LEU A 24 14.316 -11.064 -8.870 1.00 0.00 C ATOM 365 CD1 LEU A 24 14.552 -10.794 -7.392 1.00 0.00 C ATOM 366 CD2 LEU A 24 14.961 -9.980 -9.722 1.00 0.00 C ATOM 0 H LEU A 24 15.481 -14.707 -10.031 1.00 0.00 H new ATOM 0 HA LEU A 24 13.089 -13.167 -10.246 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.782 -13.096 -8.388 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.915 -12.342 -9.493 1.00 0.00 H new ATOM 0 HG LEU A 24 13.242 -11.051 -9.053 1.00 0.00 H new ATOM 0 HD11 LEU A 24 14.162 -9.809 -7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.042 -11.552 -6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.621 -10.827 -7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.565 -9.006 -9.433 1.00 0.00 H new ATOM 0 HD22 LEU A 24 16.040 -9.993 -9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.740 -10.164 -10.773 1.00 0.00 H new ATOM 378 N THR A 25 15.651 -12.283 -12.153 1.00 0.00 N ATOM 379 CA THR A 25 16.009 -11.555 -13.364 1.00 0.00 C ATOM 380 C THR A 25 15.148 -11.992 -14.543 1.00 0.00 C ATOM 381 O THR A 25 14.952 -11.235 -15.495 1.00 0.00 O ATOM 382 CB THR A 25 17.493 -11.759 -13.724 1.00 0.00 C ATOM 383 OG1 THR A 25 17.820 -11.010 -14.899 1.00 0.00 O ATOM 384 CG2 THR A 25 17.797 -13.232 -13.954 1.00 0.00 C ATOM 0 H THR A 25 16.435 -12.741 -11.689 1.00 0.00 H new ATOM 0 HA THR A 25 15.833 -10.499 -13.161 1.00 0.00 H new ATOM 0 HB THR A 25 18.098 -11.406 -12.889 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.154 -10.304 -15.033 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.851 -13.351 -14.207 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.576 -13.795 -13.047 1.00 0.00 H new ATOM 0 HG23 THR A 25 17.183 -13.607 -14.773 1.00 0.00 H new ATOM 392 N ASP A 26 14.635 -13.215 -14.474 1.00 0.00 N ATOM 393 CA ASP A 26 13.792 -13.752 -15.536 1.00 0.00 C ATOM 394 C ASP A 26 12.314 -13.583 -15.196 1.00 0.00 C ATOM 395 O ASP A 26 11.457 -13.602 -16.079 1.00 0.00 O ATOM 396 CB ASP A 26 14.108 -15.230 -15.770 1.00 0.00 C ATOM 397 CG ASP A 26 13.674 -15.705 -17.143 1.00 0.00 C ATOM 398 OD1 ASP A 26 13.563 -14.859 -18.055 1.00 0.00 O ATOM 399 OD2 ASP A 26 13.445 -16.922 -17.305 1.00 0.00 O ATOM 0 H ASP A 26 14.788 -13.854 -13.694 1.00 0.00 H new ATOM 0 HA ASP A 26 14.002 -13.195 -16.449 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.180 -15.392 -15.655 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.611 -15.830 -15.007 1.00 0.00 H new ATOM 404 N ALA A 27 12.024 -13.418 -13.909 1.00 0.00 N ATOM 405 CA ALA A 27 10.651 -13.244 -13.452 1.00 0.00 C ATOM 406 C ALA A 27 10.302 -11.767 -13.310 1.00 0.00 C ATOM 407 O ALA A 27 9.390 -11.402 -12.566 1.00 0.00 O ATOM 408 CB ALA A 27 10.440 -13.968 -12.130 1.00 0.00 C ATOM 0 H ALA A 27 12.722 -13.401 -13.165 1.00 0.00 H new ATOM 0 HA ALA A 27 9.987 -13.676 -14.201 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.410 -13.830 -11.800 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.639 -15.031 -12.262 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.119 -13.562 -11.380 1.00 0.00 H new ATOM 414 N LEU A 28 11.033 -10.920 -14.025 1.00 0.00 N ATOM 415 CA LEU A 28 10.802 -9.480 -13.978 1.00 0.00 C ATOM 416 C LEU A 28 10.069 -9.005 -15.229 1.00 0.00 C ATOM 417 O LEU A 28 9.036 -8.342 -15.140 1.00 0.00 O ATOM 418 CB LEU A 28 12.130 -8.734 -13.837 1.00 0.00 C ATOM 419 CG LEU A 28 12.617 -8.495 -12.408 1.00 0.00 C ATOM 420 CD1 LEU A 28 14.136 -8.532 -12.349 1.00 0.00 C ATOM 421 CD2 LEU A 28 12.093 -7.167 -11.881 1.00 0.00 C ATOM 0 H LEU A 28 11.791 -11.205 -14.645 1.00 0.00 H new ATOM 0 HA LEU A 28 10.178 -9.265 -13.110 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.897 -9.294 -14.372 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.036 -7.768 -14.334 1.00 0.00 H new ATOM 0 HG LEU A 28 12.230 -9.293 -11.774 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.465 -8.360 -11.324 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.490 -9.507 -12.685 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.544 -7.756 -12.996 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.450 -7.014 -10.862 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.450 -6.357 -12.517 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.003 -7.178 -11.886 1.00 0.00 H new ATOM 433 N ARG A 29 10.609 -9.352 -16.392 1.00 0.00 N ATOM 434 CA ARG A 29 10.006 -8.962 -17.661 1.00 0.00 C ATOM 435 C ARG A 29 8.645 -9.627 -17.843 1.00 0.00 C ATOM 436 O ARG A 29 7.840 -9.203 -18.673 1.00 0.00 O ATOM 437 CB ARG A 29 10.928 -9.335 -18.824 1.00 0.00 C ATOM 438 CG ARG A 29 11.815 -8.191 -19.289 1.00 0.00 C ATOM 439 CD ARG A 29 11.213 -7.470 -20.485 1.00 0.00 C ATOM 440 NE ARG A 29 11.591 -8.096 -21.749 1.00 0.00 N ATOM 441 CZ ARG A 29 12.771 -7.917 -22.334 1.00 0.00 C ATOM 442 NH1 ARG A 29 13.681 -7.135 -21.771 1.00 0.00 N ATOM 443 NH2 ARG A 29 13.041 -8.522 -23.484 1.00 0.00 N ATOM 0 H ARG A 29 11.463 -9.902 -16.482 1.00 0.00 H new ATOM 0 HA ARG A 29 9.865 -7.881 -17.651 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.557 -10.173 -18.523 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.321 -9.677 -19.662 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.958 -7.485 -18.471 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.800 -8.577 -19.553 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.127 -7.463 -20.395 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.540 -6.430 -20.484 1.00 0.00 H new ATOM 0 HE ARG A 29 10.913 -8.704 -22.208 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.476 -6.669 -20.887 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.586 -6.999 -22.222 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.343 -9.125 -23.919 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.947 -8.384 -23.932 1.00 0.00 H new ATOM 457 N THR A 30 8.394 -10.673 -17.062 1.00 0.00 N ATOM 458 CA THR A 30 7.132 -11.399 -17.138 1.00 0.00 C ATOM 459 C THR A 30 6.032 -10.669 -16.376 1.00 0.00 C ATOM 460 O THR A 30 4.847 -10.964 -16.541 1.00 0.00 O ATOM 461 CB THR A 30 7.270 -12.826 -16.576 1.00 0.00 C ATOM 462 OG1 THR A 30 6.080 -13.575 -16.845 1.00 0.00 O ATOM 463 CG2 THR A 30 7.529 -12.795 -15.078 1.00 0.00 C ATOM 0 H THR A 30 9.048 -11.037 -16.369 1.00 0.00 H new ATOM 0 HA THR A 30 6.863 -11.457 -18.193 1.00 0.00 H new ATOM 0 HB THR A 30 8.118 -13.305 -17.065 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.307 -12.972 -16.847 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.623 -13.814 -14.704 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.451 -12.249 -14.879 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.699 -12.299 -14.575 1.00 0.00 H new ATOM 471 N LEU A 31 6.430 -9.715 -15.541 1.00 0.00 N ATOM 472 CA LEU A 31 5.476 -8.941 -14.753 1.00 0.00 C ATOM 473 C LEU A 31 5.270 -7.555 -15.355 1.00 0.00 C ATOM 474 O LEU A 31 4.657 -6.684 -14.739 1.00 0.00 O ATOM 475 CB LEU A 31 5.963 -8.815 -13.308 1.00 0.00 C ATOM 476 CG LEU A 31 6.380 -10.117 -12.624 1.00 0.00 C ATOM 477 CD1 LEU A 31 6.961 -9.834 -11.247 1.00 0.00 C ATOM 478 CD2 LEU A 31 5.196 -11.068 -12.521 1.00 0.00 C ATOM 0 H LEU A 31 7.406 -9.459 -15.392 1.00 0.00 H new ATOM 0 HA LEU A 31 4.521 -9.467 -14.764 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.811 -8.131 -13.290 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.170 -8.356 -12.717 1.00 0.00 H new ATOM 0 HG LEU A 31 7.151 -10.593 -13.230 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.252 -10.772 -10.775 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.836 -9.191 -11.346 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.212 -9.336 -10.632 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.511 -11.990 -12.032 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.403 -10.600 -11.938 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.825 -11.296 -13.520 1.00 0.00 H new ATOM 490 N GLY A 32 5.784 -7.359 -16.566 1.00 0.00 N ATOM 491 CA GLY A 32 5.644 -6.078 -17.232 1.00 0.00 C ATOM 492 C GLY A 32 6.796 -5.140 -16.935 1.00 0.00 C ATOM 493 O GLY A 32 6.587 -3.968 -16.619 1.00 0.00 O ATOM 0 H GLY A 32 6.295 -8.065 -17.097 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.578 -6.237 -18.308 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.710 -5.611 -16.921 1.00 0.00 H new ATOM 497 N SER A 33 8.018 -5.655 -17.034 1.00 0.00 N ATOM 498 CA SER A 33 9.208 -4.857 -16.767 1.00 0.00 C ATOM 499 C SER A 33 10.031 -4.668 -18.037 1.00 0.00 C ATOM 500 O SER A 33 9.794 -5.327 -19.050 1.00 0.00 O ATOM 501 CB SER A 33 10.063 -5.523 -15.686 1.00 0.00 C ATOM 502 OG SER A 33 9.288 -5.828 -14.540 1.00 0.00 O ATOM 0 H SER A 33 8.209 -6.622 -17.297 1.00 0.00 H new ATOM 0 HA SER A 33 8.887 -3.877 -16.414 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.509 -6.436 -16.081 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.884 -4.862 -15.408 1.00 0.00 H new ATOM 0 HG SER A 33 8.870 -6.708 -14.652 1.00 0.00 H new ATOM 508 N THR A 34 11.002 -3.761 -17.977 1.00 0.00 N ATOM 509 CA THR A 34 11.860 -3.482 -19.122 1.00 0.00 C ATOM 510 C THR A 34 13.326 -3.428 -18.709 1.00 0.00 C ATOM 511 O THR A 34 14.192 -3.067 -19.506 1.00 0.00 O ATOM 512 CB THR A 34 11.479 -2.152 -19.799 1.00 0.00 C ATOM 513 OG1 THR A 34 10.276 -1.635 -19.221 1.00 0.00 O ATOM 514 CG2 THR A 34 11.288 -2.343 -21.296 1.00 0.00 C ATOM 0 H THR A 34 11.214 -3.207 -17.147 1.00 0.00 H new ATOM 0 HA THR A 34 11.715 -4.296 -19.832 1.00 0.00 H new ATOM 0 HB THR A 34 12.291 -1.443 -19.640 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.042 -0.789 -19.656 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.019 -1.391 -21.753 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.215 -2.709 -21.737 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.492 -3.067 -21.472 1.00 0.00 H new ATOM 522 N SER A 35 13.598 -3.789 -17.459 1.00 0.00 N ATOM 523 CA SER A 35 14.961 -3.779 -16.939 1.00 0.00 C ATOM 524 C SER A 35 15.327 -5.136 -16.347 1.00 0.00 C ATOM 525 O SER A 35 15.724 -5.232 -15.186 1.00 0.00 O ATOM 526 CB SER A 35 15.116 -2.688 -15.878 1.00 0.00 C ATOM 527 OG SER A 35 15.169 -1.402 -16.472 1.00 0.00 O ATOM 0 H SER A 35 12.893 -4.092 -16.787 1.00 0.00 H new ATOM 0 HA SER A 35 15.638 -3.570 -17.767 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.281 -2.735 -15.179 1.00 0.00 H new ATOM 0 HB3 SER A 35 16.024 -2.863 -15.302 1.00 0.00 H new ATOM 0 HG SER A 35 16.073 -1.236 -16.813 1.00 0.00 H new ATOM 533 N ALA A 36 15.191 -6.183 -17.154 1.00 0.00 N ATOM 534 CA ALA A 36 15.509 -7.535 -16.712 1.00 0.00 C ATOM 535 C ALA A 36 16.700 -8.097 -17.480 1.00 0.00 C ATOM 536 O ALA A 36 17.537 -8.803 -16.916 1.00 0.00 O ATOM 537 CB ALA A 36 14.298 -8.442 -16.875 1.00 0.00 C ATOM 0 H ALA A 36 14.863 -6.121 -18.118 1.00 0.00 H new ATOM 0 HA ALA A 36 15.778 -7.492 -15.657 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.550 -9.449 -16.541 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.472 -8.057 -16.277 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.004 -8.471 -17.924 1.00 0.00 H new ATOM 543 N ASP A 37 16.770 -7.781 -18.768 1.00 0.00 N ATOM 544 CA ASP A 37 17.860 -8.255 -19.614 1.00 0.00 C ATOM 545 C ASP A 37 19.150 -7.497 -19.314 1.00 0.00 C ATOM 546 O ASP A 37 20.212 -7.831 -19.836 1.00 0.00 O ATOM 547 CB ASP A 37 17.494 -8.099 -21.090 1.00 0.00 C ATOM 548 CG ASP A 37 17.682 -6.680 -21.587 1.00 0.00 C ATOM 549 OD1 ASP A 37 16.931 -5.789 -21.137 1.00 0.00 O ATOM 550 OD2 ASP A 37 18.582 -6.459 -22.424 1.00 0.00 O ATOM 0 H ASP A 37 16.085 -7.199 -19.250 1.00 0.00 H new ATOM 0 HA ASP A 37 18.021 -9.311 -19.398 1.00 0.00 H new ATOM 0 HB2 ASP A 37 18.108 -8.774 -21.687 1.00 0.00 H new ATOM 0 HB3 ASP A 37 16.456 -8.398 -21.237 1.00 0.00 H new ATOM 555 N GLU A 38 19.047 -6.475 -18.471 1.00 0.00 N ATOM 556 CA GLU A 38 20.205 -5.668 -18.104 1.00 0.00 C ATOM 557 C GLU A 38 20.959 -6.299 -16.937 1.00 0.00 C ATOM 558 O GLU A 38 22.174 -6.141 -16.811 1.00 0.00 O ATOM 559 CB GLU A 38 19.769 -4.248 -17.736 1.00 0.00 C ATOM 560 CG GLU A 38 18.873 -4.185 -16.510 1.00 0.00 C ATOM 561 CD GLU A 38 18.484 -2.765 -16.145 1.00 0.00 C ATOM 562 OE1 GLU A 38 18.035 -2.023 -17.043 1.00 0.00 O ATOM 563 OE2 GLU A 38 18.630 -2.397 -14.960 1.00 0.00 O ATOM 0 H GLU A 38 18.174 -6.186 -18.029 1.00 0.00 H new ATOM 0 HA GLU A 38 20.873 -5.624 -18.964 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.656 -3.639 -17.559 1.00 0.00 H new ATOM 0 HB3 GLU A 38 19.243 -3.807 -18.583 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.971 -4.769 -16.693 1.00 0.00 H new ATOM 0 HG3 GLU A 38 19.386 -4.646 -15.666 1.00 0.00 H new ATOM 570 N VAL A 39 20.230 -7.014 -16.086 1.00 0.00 N ATOM 571 CA VAL A 39 20.830 -7.669 -14.929 1.00 0.00 C ATOM 572 C VAL A 39 20.940 -9.174 -15.147 1.00 0.00 C ATOM 573 O VAL A 39 21.631 -9.869 -14.402 1.00 0.00 O ATOM 574 CB VAL A 39 20.014 -7.405 -13.650 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.557 -7.790 -13.855 1.00 0.00 C ATOM 576 CG2 VAL A 39 20.613 -8.159 -12.472 1.00 0.00 C ATOM 0 H VAL A 39 19.224 -7.155 -16.176 1.00 0.00 H new ATOM 0 HA VAL A 39 21.828 -7.248 -14.808 1.00 0.00 H new ATOM 0 HB VAL A 39 20.054 -6.338 -13.428 1.00 0.00 H new ATOM 0 HG11 VAL A 39 17.997 -7.596 -12.940 1.00 0.00 H new ATOM 0 HG12 VAL A 39 18.136 -7.201 -14.670 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.492 -8.850 -14.102 1.00 0.00 H new ATOM 0 HG21 VAL A 39 20.024 -7.961 -11.576 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.605 -9.228 -12.683 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.639 -7.828 -12.312 1.00 0.00 H new ATOM 586 N GLN A 40 20.255 -9.670 -16.172 1.00 0.00 N ATOM 587 CA GLN A 40 20.276 -11.094 -16.487 1.00 0.00 C ATOM 588 C GLN A 40 21.689 -11.555 -16.829 1.00 0.00 C ATOM 589 O GLN A 40 21.974 -12.752 -16.850 1.00 0.00 O ATOM 590 CB GLN A 40 19.333 -11.394 -17.653 1.00 0.00 C ATOM 591 CG GLN A 40 18.386 -12.553 -17.387 1.00 0.00 C ATOM 592 CD GLN A 40 17.916 -13.226 -18.662 1.00 0.00 C ATOM 593 OE1 GLN A 40 17.684 -12.568 -19.676 1.00 0.00 O ATOM 594 NE2 GLN A 40 17.772 -14.546 -18.616 1.00 0.00 N ATOM 0 H GLN A 40 19.679 -9.108 -16.798 1.00 0.00 H new ATOM 0 HA GLN A 40 19.938 -11.640 -15.606 1.00 0.00 H new ATOM 0 HB2 GLN A 40 18.748 -10.501 -17.875 1.00 0.00 H new ATOM 0 HB3 GLN A 40 19.925 -11.616 -18.541 1.00 0.00 H new ATOM 0 HG2 GLN A 40 18.885 -13.288 -16.755 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.521 -12.191 -16.832 1.00 0.00 H new ATOM 0 HE21 GLN A 40 17.976 -15.052 -17.754 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.458 -15.054 -19.443 1.00 0.00 H new ATOM 603 N ARG A 41 22.570 -10.596 -17.096 1.00 0.00 N ATOM 604 CA ARG A 41 23.953 -10.904 -17.439 1.00 0.00 C ATOM 605 C ARG A 41 24.920 -10.121 -16.554 1.00 0.00 C ATOM 606 O ARG A 41 26.131 -10.146 -16.769 1.00 0.00 O ATOM 607 CB ARG A 41 24.220 -10.584 -18.911 1.00 0.00 C ATOM 608 CG ARG A 41 23.945 -9.135 -19.279 1.00 0.00 C ATOM 609 CD ARG A 41 24.846 -8.668 -20.412 1.00 0.00 C ATOM 610 NE ARG A 41 24.343 -9.085 -21.718 1.00 0.00 N ATOM 611 CZ ARG A 41 24.688 -8.500 -22.859 1.00 0.00 C ATOM 612 NH1 ARG A 41 25.533 -7.478 -22.855 1.00 0.00 N ATOM 613 NH2 ARG A 41 24.188 -8.936 -24.008 1.00 0.00 N ATOM 0 H ARG A 41 22.351 -9.600 -17.081 1.00 0.00 H new ATOM 0 HA ARG A 41 24.114 -11.969 -17.271 1.00 0.00 H new ATOM 0 HB2 ARG A 41 25.259 -10.818 -19.142 1.00 0.00 H new ATOM 0 HB3 ARG A 41 23.602 -11.232 -19.533 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.901 -9.025 -19.573 1.00 0.00 H new ATOM 0 HG3 ARG A 41 24.098 -8.501 -18.406 1.00 0.00 H new ATOM 0 HD2 ARG A 41 24.928 -7.581 -20.385 1.00 0.00 H new ATOM 0 HD3 ARG A 41 25.849 -9.068 -20.265 1.00 0.00 H new ATOM 0 HE ARG A 41 23.691 -9.868 -21.756 1.00 0.00 H new ATOM 0 HH11 ARG A 41 25.920 -7.139 -21.974 1.00 0.00 H new ATOM 0 HH12 ARG A 41 25.796 -7.031 -23.733 1.00 0.00 H new ATOM 0 HH21 ARG A 41 23.538 -9.722 -24.016 1.00 0.00 H new ATOM 0 HH22 ARG A 41 24.454 -8.485 -24.884 1.00 0.00 H new ATOM 627 N MET A 42 24.374 -9.427 -15.561 1.00 0.00 N ATOM 628 CA MET A 42 25.188 -8.638 -14.644 1.00 0.00 C ATOM 629 C MET A 42 24.871 -8.991 -13.194 1.00 0.00 C ATOM 630 O MET A 42 25.475 -8.451 -12.268 1.00 0.00 O ATOM 631 CB MET A 42 24.958 -7.144 -14.880 1.00 0.00 C ATOM 632 CG MET A 42 24.115 -6.482 -13.802 1.00 0.00 C ATOM 633 SD MET A 42 23.481 -4.871 -14.307 1.00 0.00 S ATOM 634 CE MET A 42 23.416 -4.023 -12.731 1.00 0.00 C ATOM 0 H MET A 42 23.372 -9.395 -15.371 1.00 0.00 H new ATOM 0 HA MET A 42 26.235 -8.871 -14.835 1.00 0.00 H new ATOM 0 HB2 MET A 42 25.923 -6.640 -14.936 1.00 0.00 H new ATOM 0 HB3 MET A 42 24.471 -7.008 -15.846 1.00 0.00 H new ATOM 0 HG2 MET A 42 23.279 -7.134 -13.549 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.714 -6.366 -12.899 1.00 0.00 H new ATOM 0 HE1 MET A 42 23.110 -2.988 -12.887 1.00 0.00 H new ATOM 0 HE2 MET A 42 22.697 -4.520 -12.080 1.00 0.00 H new ATOM 0 HE3 MET A 42 24.402 -4.044 -12.266 1.00 0.00 H new ATOM 644 N MET A 43 23.920 -9.900 -13.005 1.00 0.00 N ATOM 645 CA MET A 43 23.524 -10.325 -11.668 1.00 0.00 C ATOM 646 C MET A 43 24.705 -10.935 -10.919 1.00 0.00 C ATOM 647 O MET A 43 24.684 -11.045 -9.694 1.00 0.00 O ATOM 648 CB MET A 43 22.379 -11.336 -11.749 1.00 0.00 C ATOM 649 CG MET A 43 22.795 -12.680 -12.323 1.00 0.00 C ATOM 650 SD MET A 43 21.390 -13.656 -12.896 1.00 0.00 S ATOM 651 CE MET A 43 22.096 -15.302 -12.890 1.00 0.00 C ATOM 0 H MET A 43 23.410 -10.356 -13.761 1.00 0.00 H new ATOM 0 HA MET A 43 23.184 -9.446 -11.120 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.968 -11.488 -10.751 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.580 -10.920 -12.363 1.00 0.00 H new ATOM 0 HG2 MET A 43 23.483 -12.519 -13.153 1.00 0.00 H new ATOM 0 HG3 MET A 43 23.338 -13.243 -11.564 1.00 0.00 H new ATOM 0 HE1 MET A 43 21.347 -16.021 -13.222 1.00 0.00 H new ATOM 0 HE2 MET A 43 22.952 -15.333 -13.564 1.00 0.00 H new ATOM 0 HE3 MET A 43 22.420 -15.555 -11.880 1.00 0.00 H new ATOM 661 N ALA A 44 25.732 -11.330 -11.664 1.00 0.00 N ATOM 662 CA ALA A 44 26.921 -11.927 -11.070 1.00 0.00 C ATOM 663 C ALA A 44 28.033 -10.895 -10.912 1.00 0.00 C ATOM 664 O ALA A 44 29.206 -11.247 -10.793 1.00 0.00 O ATOM 665 CB ALA A 44 27.402 -13.098 -11.915 1.00 0.00 C ATOM 0 H ALA A 44 25.764 -11.247 -12.680 1.00 0.00 H new ATOM 0 HA ALA A 44 26.657 -12.293 -10.078 1.00 0.00 H new ATOM 0 HB1 ALA A 44 28.291 -13.534 -11.460 1.00 0.00 H new ATOM 0 HB2 ALA A 44 26.617 -13.852 -11.973 1.00 0.00 H new ATOM 0 HB3 ALA A 44 27.643 -12.748 -12.919 1.00 0.00 H new ATOM 671 N GLU A 45 27.656 -9.621 -10.913 1.00 0.00 N ATOM 672 CA GLU A 45 28.622 -8.538 -10.771 1.00 0.00 C ATOM 673 C GLU A 45 28.003 -7.347 -10.047 1.00 0.00 C ATOM 674 O GLU A 45 28.422 -6.205 -10.237 1.00 0.00 O ATOM 675 CB GLU A 45 29.139 -8.103 -12.143 1.00 0.00 C ATOM 676 CG GLU A 45 28.077 -7.457 -13.017 1.00 0.00 C ATOM 677 CD GLU A 45 28.669 -6.671 -14.171 1.00 0.00 C ATOM 678 OE1 GLU A 45 29.136 -7.303 -15.141 1.00 0.00 O ATOM 679 OE2 GLU A 45 28.664 -5.424 -14.103 1.00 0.00 O ATOM 0 H GLU A 45 26.688 -9.313 -11.011 1.00 0.00 H new ATOM 0 HA GLU A 45 29.458 -8.907 -10.176 1.00 0.00 H new ATOM 0 HB2 GLU A 45 29.961 -7.401 -12.006 1.00 0.00 H new ATOM 0 HB3 GLU A 45 29.545 -8.972 -12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 45 27.416 -8.230 -13.410 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.464 -6.793 -12.407 1.00 0.00 H new ATOM 686 N ILE A 46 27.002 -7.621 -9.217 1.00 0.00 N ATOM 687 CA ILE A 46 26.325 -6.573 -8.464 1.00 0.00 C ATOM 688 C ILE A 46 26.413 -6.828 -6.964 1.00 0.00 C ATOM 689 O ILE A 46 26.478 -5.892 -6.167 1.00 0.00 O ATOM 690 CB ILE A 46 24.843 -6.458 -8.868 1.00 0.00 C ATOM 691 CG1 ILE A 46 24.203 -7.846 -8.942 1.00 0.00 C ATOM 692 CG2 ILE A 46 24.711 -5.736 -10.200 1.00 0.00 C ATOM 693 CD1 ILE A 46 22.875 -7.938 -8.224 1.00 0.00 C ATOM 0 H ILE A 46 26.642 -8.560 -9.049 1.00 0.00 H new ATOM 0 HA ILE A 46 26.832 -5.637 -8.701 1.00 0.00 H new ATOM 0 HB ILE A 46 24.319 -5.877 -8.109 1.00 0.00 H new ATOM 0 HG12 ILE A 46 24.061 -8.116 -9.988 1.00 0.00 H new ATOM 0 HG13 ILE A 46 24.889 -8.577 -8.515 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.658 -5.663 -10.471 1.00 0.00 H new ATOM 0 HG22 ILE A 46 25.134 -4.735 -10.115 1.00 0.00 H new ATOM 0 HG23 ILE A 46 25.246 -6.292 -10.970 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.480 -8.949 -8.318 1.00 0.00 H new ATOM 0 HD12 ILE A 46 23.014 -7.699 -7.170 1.00 0.00 H new ATOM 0 HD13 ILE A 46 22.173 -7.232 -8.666 1.00 0.00 H new ATOM 705 N ASP A 47 26.418 -8.102 -6.585 1.00 0.00 N ATOM 706 CA ASP A 47 26.502 -8.482 -5.180 1.00 0.00 C ATOM 707 C ASP A 47 26.583 -9.998 -5.031 1.00 0.00 C ATOM 708 O ASP A 47 27.379 -10.514 -4.246 1.00 0.00 O ATOM 709 CB ASP A 47 25.293 -7.945 -4.411 1.00 0.00 C ATOM 710 CG ASP A 47 25.683 -7.303 -3.094 1.00 0.00 C ATOM 711 OD1 ASP A 47 26.605 -7.823 -2.431 1.00 0.00 O ATOM 712 OD2 ASP A 47 25.067 -6.281 -2.727 1.00 0.00 O ATOM 0 H ASP A 47 26.365 -8.889 -7.232 1.00 0.00 H new ATOM 0 HA ASP A 47 27.410 -8.045 -4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 47 24.770 -7.214 -5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 47 24.595 -8.761 -4.222 1.00 0.00 H new ATOM 717 N THR A 48 25.752 -10.707 -5.788 1.00 0.00 N ATOM 718 CA THR A 48 25.727 -12.163 -5.739 1.00 0.00 C ATOM 719 C THR A 48 27.127 -12.743 -5.912 1.00 0.00 C ATOM 720 O THR A 48 27.738 -12.608 -6.972 1.00 0.00 O ATOM 721 CB THR A 48 24.804 -12.747 -6.826 1.00 0.00 C ATOM 722 OG1 THR A 48 23.464 -12.281 -6.632 1.00 0.00 O ATOM 723 CG2 THR A 48 24.827 -14.268 -6.796 1.00 0.00 C ATOM 0 H THR A 48 25.087 -10.296 -6.443 1.00 0.00 H new ATOM 0 HA THR A 48 25.340 -12.439 -4.758 1.00 0.00 H new ATOM 0 HB THR A 48 25.167 -12.414 -7.798 1.00 0.00 H new ATOM 0 HG1 THR A 48 23.173 -11.783 -7.424 1.00 0.00 H new ATOM 0 HG21 THR A 48 24.168 -14.657 -7.572 1.00 0.00 H new ATOM 0 HG22 THR A 48 25.843 -14.620 -6.973 1.00 0.00 H new ATOM 0 HG23 THR A 48 24.486 -14.618 -5.822 1.00 0.00 H new ATOM 731 N ASP A 49 27.628 -13.389 -4.865 1.00 0.00 N ATOM 732 CA ASP A 49 28.955 -13.991 -4.902 1.00 0.00 C ATOM 733 C ASP A 49 29.075 -14.972 -6.064 1.00 0.00 C ATOM 734 O ASP A 49 30.135 -15.098 -6.677 1.00 0.00 O ATOM 735 CB ASP A 49 29.251 -14.706 -3.582 1.00 0.00 C ATOM 736 CG ASP A 49 29.315 -13.750 -2.407 1.00 0.00 C ATOM 737 OD1 ASP A 49 28.257 -13.206 -2.027 1.00 0.00 O ATOM 738 OD2 ASP A 49 30.423 -13.548 -1.868 1.00 0.00 O ATOM 0 H ASP A 49 27.135 -13.509 -3.980 1.00 0.00 H new ATOM 0 HA ASP A 49 29.684 -13.194 -5.046 1.00 0.00 H new ATOM 0 HB2 ASP A 49 28.480 -15.454 -3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 49 30.198 -15.239 -3.665 1.00 0.00 H new ATOM 743 N GLY A 50 27.981 -15.666 -6.362 1.00 0.00 N ATOM 744 CA GLY A 50 27.985 -16.627 -7.449 1.00 0.00 C ATOM 745 C GLY A 50 26.998 -17.757 -7.227 1.00 0.00 C ATOM 746 O GLY A 50 26.622 -18.454 -8.169 1.00 0.00 O ATOM 0 H GLY A 50 27.092 -15.580 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 50 27.745 -16.117 -8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 50 28.987 -17.041 -7.561 1.00 0.00 H new ATOM 750 N ASP A 51 26.580 -17.939 -5.980 1.00 0.00 N ATOM 751 CA ASP A 51 25.632 -18.992 -5.637 1.00 0.00 C ATOM 752 C ASP A 51 24.401 -18.928 -6.535 1.00 0.00 C ATOM 753 O ASP A 51 23.884 -19.956 -6.972 1.00 0.00 O ATOM 754 CB ASP A 51 25.216 -18.876 -4.170 1.00 0.00 C ATOM 755 CG ASP A 51 24.908 -17.447 -3.767 1.00 0.00 C ATOM 756 OD1 ASP A 51 25.863 -16.669 -3.565 1.00 0.00 O ATOM 757 OD2 ASP A 51 23.711 -17.107 -3.654 1.00 0.00 O ATOM 0 H ASP A 51 26.883 -17.371 -5.189 1.00 0.00 H new ATOM 0 HA ASP A 51 26.123 -19.953 -5.792 1.00 0.00 H new ATOM 0 HB2 ASP A 51 24.338 -19.497 -3.994 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.014 -19.265 -3.537 1.00 0.00 H new ATOM 762 N GLY A 52 23.934 -17.713 -6.806 1.00 0.00 N ATOM 763 CA GLY A 52 22.766 -17.538 -7.649 1.00 0.00 C ATOM 764 C GLY A 52 21.531 -17.157 -6.857 1.00 0.00 C ATOM 765 O GLY A 52 20.406 -17.381 -7.303 1.00 0.00 O ATOM 0 H GLY A 52 24.344 -16.847 -6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.970 -16.766 -8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.573 -18.462 -8.194 1.00 0.00 H new ATOM 769 N PHE A 53 21.741 -16.582 -5.677 1.00 0.00 N ATOM 770 CA PHE A 53 20.635 -16.173 -4.819 1.00 0.00 C ATOM 771 C PHE A 53 20.958 -14.865 -4.103 1.00 0.00 C ATOM 772 O PHE A 53 22.051 -14.318 -4.249 1.00 0.00 O ATOM 773 CB PHE A 53 20.325 -17.265 -3.794 1.00 0.00 C ATOM 774 CG PHE A 53 19.907 -18.568 -4.414 1.00 0.00 C ATOM 775 CD1 PHE A 53 20.854 -19.449 -4.912 1.00 0.00 C ATOM 776 CD2 PHE A 53 18.568 -18.912 -4.499 1.00 0.00 C ATOM 777 CE1 PHE A 53 20.473 -20.648 -5.483 1.00 0.00 C ATOM 778 CE2 PHE A 53 18.181 -20.110 -5.069 1.00 0.00 C ATOM 779 CZ PHE A 53 19.134 -20.979 -5.562 1.00 0.00 C ATOM 0 H PHE A 53 22.666 -16.389 -5.294 1.00 0.00 H new ATOM 0 HA PHE A 53 19.759 -16.016 -5.448 1.00 0.00 H new ATOM 0 HB2 PHE A 53 21.207 -17.432 -3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.533 -16.916 -3.132 1.00 0.00 H new ATOM 0 HD1 PHE A 53 21.902 -19.195 -4.853 1.00 0.00 H new ATOM 0 HD2 PHE A 53 17.818 -18.236 -4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 53 21.221 -21.326 -5.867 1.00 0.00 H new ATOM 0 HE2 PHE A 53 17.134 -20.366 -5.129 1.00 0.00 H new ATOM 0 HZ PHE A 53 18.833 -21.915 -6.008 1.00 0.00 H new ATOM 789 N ILE A 54 19.998 -14.368 -3.330 1.00 0.00 N ATOM 790 CA ILE A 54 20.180 -13.125 -2.591 1.00 0.00 C ATOM 791 C ILE A 54 19.301 -13.092 -1.345 1.00 0.00 C ATOM 792 O ILE A 54 18.100 -13.357 -1.413 1.00 0.00 O ATOM 793 CB ILE A 54 19.858 -11.898 -3.465 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.540 -12.109 -4.213 1.00 0.00 C ATOM 795 CG2 ILE A 54 20.992 -11.633 -4.444 1.00 0.00 C ATOM 796 CD1 ILE A 54 18.171 -10.960 -5.124 1.00 0.00 C ATOM 0 H ILE A 54 19.087 -14.807 -3.199 1.00 0.00 H new ATOM 0 HA ILE A 54 21.228 -13.085 -2.295 1.00 0.00 H new ATOM 0 HB ILE A 54 19.751 -11.027 -2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.609 -13.022 -4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.740 -12.258 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.750 -10.763 -5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 54 21.913 -11.444 -3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.127 -12.502 -5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.226 -11.179 -5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.069 -10.048 -4.536 1.00 0.00 H new ATOM 0 HD13 ILE A 54 18.952 -10.824 -5.872 1.00 0.00 H new ATOM 808 N ASP A 55 19.906 -12.764 -0.210 1.00 0.00 N ATOM 809 CA ASP A 55 19.179 -12.694 1.052 1.00 0.00 C ATOM 810 C ASP A 55 18.234 -11.496 1.069 1.00 0.00 C ATOM 811 O ASP A 55 17.014 -11.655 1.118 1.00 0.00 O ATOM 812 CB ASP A 55 20.156 -12.604 2.225 1.00 0.00 C ATOM 813 CG ASP A 55 19.486 -12.138 3.503 1.00 0.00 C ATOM 814 OD1 ASP A 55 18.583 -12.847 3.991 1.00 0.00 O ATOM 815 OD2 ASP A 55 19.865 -11.063 4.013 1.00 0.00 O ATOM 0 H ASP A 55 20.899 -12.542 -0.137 1.00 0.00 H new ATOM 0 HA ASP A 55 18.587 -13.604 1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.610 -13.581 2.392 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.963 -11.917 1.970 1.00 0.00 H new ATOM 820 N PHE A 56 18.806 -10.297 1.027 1.00 0.00 N ATOM 821 CA PHE A 56 18.015 -9.072 1.040 1.00 0.00 C ATOM 822 C PHE A 56 18.853 -7.879 0.590 1.00 0.00 C ATOM 823 O PHE A 56 18.443 -7.113 -0.281 1.00 0.00 O ATOM 824 CB PHE A 56 17.453 -8.817 2.440 1.00 0.00 C ATOM 825 CG PHE A 56 16.206 -7.979 2.441 1.00 0.00 C ATOM 826 CD1 PHE A 56 16.211 -6.705 1.897 1.00 0.00 C ATOM 827 CD2 PHE A 56 15.029 -8.466 2.987 1.00 0.00 C ATOM 828 CE1 PHE A 56 15.065 -5.932 1.898 1.00 0.00 C ATOM 829 CE2 PHE A 56 13.880 -7.698 2.991 1.00 0.00 C ATOM 830 CZ PHE A 56 13.898 -6.430 2.445 1.00 0.00 C ATOM 0 H PHE A 56 19.814 -10.148 0.984 1.00 0.00 H new ATOM 0 HA PHE A 56 17.187 -9.196 0.342 1.00 0.00 H new ATOM 0 HB2 PHE A 56 17.239 -9.774 2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.214 -8.323 3.044 1.00 0.00 H new ATOM 0 HD1 PHE A 56 17.120 -6.311 1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 56 15.009 -9.458 3.415 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.082 -4.940 1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.970 -8.089 3.421 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.001 -5.828 2.445 1.00 0.00 H new ATOM 840 N ASN A 57 20.029 -7.730 1.191 1.00 0.00 N ATOM 841 CA ASN A 57 20.925 -6.630 0.854 1.00 0.00 C ATOM 842 C ASN A 57 21.297 -6.665 -0.625 1.00 0.00 C ATOM 843 O ASN A 57 21.202 -5.655 -1.323 1.00 0.00 O ATOM 844 CB ASN A 57 22.191 -6.695 1.711 1.00 0.00 C ATOM 845 CG ASN A 57 22.655 -5.323 2.162 1.00 0.00 C ATOM 846 OD1 ASN A 57 23.791 -4.925 1.906 1.00 0.00 O ATOM 847 ND2 ASN A 57 21.774 -4.594 2.838 1.00 0.00 N ATOM 0 H ASN A 57 20.383 -8.357 1.913 1.00 0.00 H new ATOM 0 HA ASN A 57 20.404 -5.695 1.058 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.003 -7.318 2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.987 -7.176 1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.029 -3.663 3.168 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.843 -4.965 3.027 1.00 0.00 H new ATOM 854 N GLU A 58 21.719 -7.834 -1.096 1.00 0.00 N ATOM 855 CA GLU A 58 22.105 -8.000 -2.493 1.00 0.00 C ATOM 856 C GLU A 58 20.943 -7.663 -3.422 1.00 0.00 C ATOM 857 O GLU A 58 21.145 -7.211 -4.549 1.00 0.00 O ATOM 858 CB GLU A 58 22.578 -9.432 -2.747 1.00 0.00 C ATOM 859 CG GLU A 58 23.800 -9.824 -1.933 1.00 0.00 C ATOM 860 CD GLU A 58 23.610 -11.132 -1.189 1.00 0.00 C ATOM 861 OE1 GLU A 58 23.063 -11.101 -0.067 1.00 0.00 O ATOM 862 OE2 GLU A 58 24.009 -12.185 -1.728 1.00 0.00 O ATOM 0 H GLU A 58 21.802 -8.680 -0.532 1.00 0.00 H new ATOM 0 HA GLU A 58 22.925 -7.312 -2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 58 21.764 -10.120 -2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 58 22.806 -9.548 -3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 58 24.661 -9.909 -2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 58 24.025 -9.033 -1.218 1.00 0.00 H new ATOM 869 N PHE A 59 19.725 -7.888 -2.941 1.00 0.00 N ATOM 870 CA PHE A 59 18.529 -7.611 -3.729 1.00 0.00 C ATOM 871 C PHE A 59 18.300 -6.108 -3.859 1.00 0.00 C ATOM 872 O PHE A 59 18.063 -5.598 -4.954 1.00 0.00 O ATOM 873 CB PHE A 59 17.306 -8.271 -3.088 1.00 0.00 C ATOM 874 CG PHE A 59 15.999 -7.726 -3.588 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.417 -6.624 -2.983 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.353 -8.315 -4.663 1.00 0.00 C ATOM 877 CE1 PHE A 59 14.214 -6.119 -3.440 1.00 0.00 C ATOM 878 CE2 PHE A 59 14.151 -7.814 -5.125 1.00 0.00 C ATOM 879 CZ PHE A 59 13.580 -6.715 -4.513 1.00 0.00 C ATOM 0 H PHE A 59 19.540 -8.261 -2.010 1.00 0.00 H new ATOM 0 HA PHE A 59 18.677 -8.026 -4.726 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.340 -9.344 -3.279 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.356 -8.138 -2.007 1.00 0.00 H new ATOM 0 HD1 PHE A 59 15.909 -6.154 -2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.794 -9.175 -5.145 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.770 -5.260 -2.959 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.658 -8.282 -5.964 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.640 -6.323 -4.873 1.00 0.00 H new ATOM 889 N ILE A 60 18.371 -5.406 -2.733 1.00 0.00 N ATOM 890 CA ILE A 60 18.172 -3.962 -2.721 1.00 0.00 C ATOM 891 C ILE A 60 19.341 -3.240 -3.381 1.00 0.00 C ATOM 892 O ILE A 60 19.216 -2.091 -3.804 1.00 0.00 O ATOM 893 CB ILE A 60 17.998 -3.429 -1.286 1.00 0.00 C ATOM 894 CG1 ILE A 60 16.778 -4.073 -0.624 1.00 0.00 C ATOM 895 CG2 ILE A 60 17.864 -1.914 -1.296 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.462 -3.646 -1.237 1.00 0.00 C ATOM 0 H ILE A 60 18.565 -5.813 -1.818 1.00 0.00 H new ATOM 0 HA ILE A 60 17.261 -3.765 -3.286 1.00 0.00 H new ATOM 0 HB ILE A 60 18.883 -3.692 -0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 60 16.867 -5.157 -0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 60 16.775 -3.821 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.742 -1.553 -0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.760 -1.472 -1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 60 16.994 -1.630 -1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.641 -4.141 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.351 -2.566 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.445 -3.923 -2.291 1.00 0.00 H new ATOM 908 N SER A 61 20.479 -3.922 -3.467 1.00 0.00 N ATOM 909 CA SER A 61 21.673 -3.346 -4.074 1.00 0.00 C ATOM 910 C SER A 61 21.366 -2.802 -5.466 1.00 0.00 C ATOM 911 O SER A 61 21.752 -1.684 -5.807 1.00 0.00 O ATOM 912 CB SER A 61 22.785 -4.393 -4.156 1.00 0.00 C ATOM 913 OG SER A 61 22.625 -5.218 -5.297 1.00 0.00 O ATOM 0 H SER A 61 20.599 -4.875 -3.124 1.00 0.00 H new ATOM 0 HA SER A 61 22.008 -2.520 -3.446 1.00 0.00 H new ATOM 0 HB2 SER A 61 23.754 -3.896 -4.196 1.00 0.00 H new ATOM 0 HB3 SER A 61 22.778 -5.007 -3.255 1.00 0.00 H new ATOM 0 HG SER A 61 22.097 -6.008 -5.058 1.00 0.00 H new ATOM 919 N PHE A 62 20.669 -3.602 -6.266 1.00 0.00 N ATOM 920 CA PHE A 62 20.310 -3.204 -7.622 1.00 0.00 C ATOM 921 C PHE A 62 18.858 -2.739 -7.686 1.00 0.00 C ATOM 922 O PHE A 62 18.457 -2.051 -8.625 1.00 0.00 O ATOM 923 CB PHE A 62 20.529 -4.366 -8.593 1.00 0.00 C ATOM 924 CG PHE A 62 19.342 -4.645 -9.470 1.00 0.00 C ATOM 925 CD1 PHE A 62 18.284 -5.407 -9.004 1.00 0.00 C ATOM 926 CD2 PHE A 62 19.287 -4.146 -10.762 1.00 0.00 C ATOM 927 CE1 PHE A 62 17.190 -5.666 -9.809 1.00 0.00 C ATOM 928 CE2 PHE A 62 18.196 -4.401 -11.571 1.00 0.00 C ATOM 929 CZ PHE A 62 17.147 -5.163 -11.095 1.00 0.00 C ATOM 0 H PHE A 62 20.341 -4.530 -5.998 1.00 0.00 H new ATOM 0 HA PHE A 62 20.952 -2.372 -7.912 1.00 0.00 H new ATOM 0 HB2 PHE A 62 21.392 -4.146 -9.222 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.770 -5.264 -8.024 1.00 0.00 H new ATOM 0 HD1 PHE A 62 18.314 -5.804 -8.000 1.00 0.00 H new ATOM 0 HD2 PHE A 62 20.105 -3.552 -11.140 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.370 -6.261 -9.433 1.00 0.00 H new ATOM 0 HE2 PHE A 62 18.164 -4.005 -12.575 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.295 -5.365 -11.727 1.00 0.00 H new ATOM 939 N CYS A 63 18.077 -3.120 -6.682 1.00 0.00 N ATOM 940 CA CYS A 63 16.669 -2.744 -6.624 1.00 0.00 C ATOM 941 C CYS A 63 16.492 -1.405 -5.915 1.00 0.00 C ATOM 942 O CYS A 63 15.873 -1.331 -4.854 1.00 0.00 O ATOM 943 CB CYS A 63 15.860 -3.826 -5.907 1.00 0.00 C ATOM 944 SG CYS A 63 15.662 -5.351 -6.857 1.00 0.00 S ATOM 0 H CYS A 63 18.394 -3.689 -5.897 1.00 0.00 H new ATOM 0 HA CYS A 63 16.303 -2.644 -7.646 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.347 -4.061 -4.960 1.00 0.00 H new ATOM 0 HB3 CYS A 63 14.873 -3.429 -5.668 1.00 0.00 H new ATOM 0 HG CYS A 63 16.564 -5.400 -7.792 1.00 0.00 H new ATOM 950 N ASN A 64 17.042 -0.351 -6.508 1.00 0.00 N ATOM 951 CA ASN A 64 16.947 0.986 -5.931 1.00 0.00 C ATOM 952 C ASN A 64 15.804 1.772 -6.565 1.00 0.00 C ATOM 953 O ASN A 64 15.456 2.860 -6.107 1.00 0.00 O ATOM 954 CB ASN A 64 18.265 1.740 -6.119 1.00 0.00 C ATOM 955 CG ASN A 64 19.475 0.862 -5.865 1.00 0.00 C ATOM 956 OD1 ASN A 64 19.694 0.396 -4.747 1.00 0.00 O ATOM 957 ND2 ASN A 64 20.268 0.631 -6.906 1.00 0.00 N ATOM 0 H ASN A 64 17.558 -0.396 -7.387 1.00 0.00 H new ATOM 0 HA ASN A 64 16.745 0.881 -4.865 1.00 0.00 H new ATOM 0 HB2 ASN A 64 18.313 2.135 -7.134 1.00 0.00 H new ATOM 0 HB3 ASN A 64 18.291 2.594 -5.443 1.00 0.00 H new ATOM 0 HD21 ASN A 64 21.097 0.047 -6.796 1.00 0.00 H new ATOM 0 HD22 ASN A 64 20.048 1.038 -7.815 1.00 0.00 H new ATOM 964 N ALA A 65 15.223 1.212 -7.622 1.00 0.00 N ATOM 965 CA ALA A 65 14.117 1.859 -8.317 1.00 0.00 C ATOM 966 C ALA A 65 14.506 3.257 -8.787 1.00 0.00 C ATOM 967 O ALA A 65 13.791 4.226 -8.541 1.00 0.00 O ATOM 968 CB ALA A 65 12.893 1.926 -7.415 1.00 0.00 C ATOM 0 H ALA A 65 15.500 0.312 -8.015 1.00 0.00 H new ATOM 0 HA ALA A 65 13.875 1.262 -9.196 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.075 2.412 -7.947 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.594 0.917 -7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.133 2.498 -6.518 1.00 0.00 H new ATOM 974 N ASN A 66 15.645 3.352 -9.465 1.00 0.00 N ATOM 975 CA ASN A 66 16.131 4.631 -9.969 1.00 0.00 C ATOM 976 C ASN A 66 15.459 4.984 -11.293 1.00 0.00 C ATOM 977 O ASN A 66 14.707 5.954 -11.397 1.00 0.00 O ATOM 978 CB ASN A 66 17.649 4.589 -10.150 1.00 0.00 C ATOM 979 CG ASN A 66 18.379 5.414 -9.107 1.00 0.00 C ATOM 980 OD1 ASN A 66 19.233 6.237 -9.437 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.044 5.196 -7.841 1.00 0.00 N ATOM 0 H ASN A 66 16.249 2.558 -9.678 1.00 0.00 H new ATOM 0 HA ASN A 66 15.881 5.400 -9.238 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.990 3.555 -10.095 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.904 4.957 -11.144 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.500 5.721 -7.095 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.330 4.504 -7.614 1.00 0.00 H new ATOM 988 N PRO A 67 15.736 4.179 -12.330 1.00 0.00 N ATOM 989 CA PRO A 67 15.168 4.386 -13.666 1.00 0.00 C ATOM 990 C PRO A 67 13.672 4.094 -13.711 1.00 0.00 C ATOM 991 O PRO A 67 12.919 4.768 -14.412 1.00 0.00 O ATOM 992 CB PRO A 67 15.935 3.387 -14.535 1.00 0.00 C ATOM 993 CG PRO A 67 16.370 2.319 -13.592 1.00 0.00 C ATOM 994 CD PRO A 67 16.623 3.006 -12.278 1.00 0.00 C ATOM 0 HA PRO A 67 15.265 5.421 -13.995 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.303 2.983 -15.326 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.790 3.859 -15.020 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.602 1.552 -13.490 1.00 0.00 H new ATOM 0 HG3 PRO A 67 17.271 1.823 -13.953 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.384 2.359 -11.434 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.668 3.297 -12.171 1.00 0.00 H new ATOM 1002 N GLY A 68 13.247 3.084 -12.958 1.00 0.00 N ATOM 1003 CA GLY A 68 11.843 2.720 -12.927 1.00 0.00 C ATOM 1004 C GLY A 68 11.628 1.225 -13.049 1.00 0.00 C ATOM 1005 O GLY A 68 10.637 0.778 -13.629 1.00 0.00 O ATOM 0 H GLY A 68 13.851 2.511 -12.368 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.400 3.073 -11.996 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.322 3.226 -13.739 1.00 0.00 H new ATOM 1009 N LEU A 69 12.558 0.449 -12.504 1.00 0.00 N ATOM 1010 CA LEU A 69 12.466 -1.006 -12.557 1.00 0.00 C ATOM 1011 C LEU A 69 11.614 -1.540 -11.410 1.00 0.00 C ATOM 1012 O LEU A 69 10.956 -2.572 -11.541 1.00 0.00 O ATOM 1013 CB LEU A 69 13.863 -1.627 -12.500 1.00 0.00 C ATOM 1014 CG LEU A 69 14.700 -1.287 -11.267 1.00 0.00 C ATOM 1015 CD1 LEU A 69 15.368 -2.536 -10.713 1.00 0.00 C ATOM 1016 CD2 LEU A 69 15.740 -0.228 -11.603 1.00 0.00 C ATOM 0 H LEU A 69 13.384 0.802 -12.021 1.00 0.00 H new ATOM 0 HA LEU A 69 11.990 -1.281 -13.498 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.759 -2.711 -12.556 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.414 -1.313 -13.386 1.00 0.00 H new ATOM 0 HG LEU A 69 14.036 -0.885 -10.501 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.959 -2.274 -9.836 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.605 -3.263 -10.433 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.019 -2.968 -11.473 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.326 0.001 -10.713 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.400 -0.602 -12.386 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.240 0.676 -11.951 1.00 0.00 H new ATOM 1028 N MET A 70 11.630 -0.829 -10.287 1.00 0.00 N ATOM 1029 CA MET A 70 10.855 -1.230 -9.118 1.00 0.00 C ATOM 1030 C MET A 70 9.804 -0.179 -8.776 1.00 0.00 C ATOM 1031 O MET A 70 8.818 -0.470 -8.099 1.00 0.00 O ATOM 1032 CB MET A 70 11.779 -1.453 -7.920 1.00 0.00 C ATOM 1033 CG MET A 70 12.956 -2.367 -8.221 1.00 0.00 C ATOM 1034 SD MET A 70 12.546 -4.113 -8.034 1.00 0.00 S ATOM 1035 CE MET A 70 12.318 -4.592 -9.745 1.00 0.00 C ATOM 0 H MET A 70 12.171 0.027 -10.162 1.00 0.00 H new ATOM 0 HA MET A 70 10.345 -2.164 -9.354 1.00 0.00 H new ATOM 0 HB2 MET A 70 12.156 -0.489 -7.578 1.00 0.00 H new ATOM 0 HB3 MET A 70 11.200 -1.878 -7.100 1.00 0.00 H new ATOM 0 HG2 MET A 70 13.300 -2.186 -9.239 1.00 0.00 H new ATOM 0 HG3 MET A 70 13.783 -2.119 -7.556 1.00 0.00 H new ATOM 0 HE1 MET A 70 11.340 -5.059 -9.865 1.00 0.00 H new ATOM 0 HE2 MET A 70 12.379 -3.709 -10.381 1.00 0.00 H new ATOM 0 HE3 MET A 70 13.096 -5.300 -10.031 1.00 0.00 H new ATOM 1045 N LYS A 71 10.022 1.044 -9.247 1.00 0.00 N ATOM 1046 CA LYS A 71 9.094 2.139 -8.992 1.00 0.00 C ATOM 1047 C LYS A 71 7.836 1.995 -9.843 1.00 0.00 C ATOM 1048 O LYS A 71 6.791 2.563 -9.524 1.00 0.00 O ATOM 1049 CB LYS A 71 9.766 3.483 -9.282 1.00 0.00 C ATOM 1050 CG LYS A 71 8.953 4.681 -8.824 1.00 0.00 C ATOM 1051 CD LYS A 71 9.690 5.986 -9.078 1.00 0.00 C ATOM 1052 CE LYS A 71 8.971 7.165 -8.442 1.00 0.00 C ATOM 1053 NZ LYS A 71 9.654 8.455 -8.736 1.00 0.00 N ATOM 0 H LYS A 71 10.834 1.302 -9.808 1.00 0.00 H new ATOM 0 HA LYS A 71 8.808 2.102 -7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.739 3.506 -8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.947 3.566 -10.354 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.997 4.694 -9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.733 4.587 -7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.702 5.917 -8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.781 6.150 -10.152 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.945 7.205 -8.808 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.919 7.019 -7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.133 9.234 -8.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.625 8.426 -8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.682 8.607 -9.765 1.00 0.00 H new ATOM 1067 N ASP A 72 7.943 1.232 -10.925 1.00 0.00 N ATOM 1068 CA ASP A 72 6.813 1.011 -11.820 1.00 0.00 C ATOM 1069 C ASP A 72 6.621 -0.477 -12.096 1.00 0.00 C ATOM 1070 O ASP A 72 6.376 -0.881 -13.233 1.00 0.00 O ATOM 1071 CB ASP A 72 7.021 1.764 -13.135 1.00 0.00 C ATOM 1072 CG ASP A 72 5.713 2.100 -13.823 1.00 0.00 C ATOM 1073 OD1 ASP A 72 4.760 2.502 -13.124 1.00 0.00 O ATOM 1074 OD2 ASP A 72 5.643 1.961 -15.062 1.00 0.00 O ATOM 0 H ASP A 72 8.801 0.756 -11.204 1.00 0.00 H new ATOM 0 HA ASP A 72 5.915 1.390 -11.332 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.572 2.684 -12.940 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.635 1.160 -13.803 1.00 0.00 H new ATOM 1079 N VAL A 73 6.735 -1.288 -11.049 1.00 0.00 N ATOM 1080 CA VAL A 73 6.575 -2.731 -11.178 1.00 0.00 C ATOM 1081 C VAL A 73 5.730 -3.294 -10.041 1.00 0.00 C ATOM 1082 O VAL A 73 5.029 -4.291 -10.210 1.00 0.00 O ATOM 1083 CB VAL A 73 7.938 -3.448 -11.195 1.00 0.00 C ATOM 1084 CG1 VAL A 73 8.194 -4.139 -9.865 1.00 0.00 C ATOM 1085 CG2 VAL A 73 8.001 -4.444 -12.343 1.00 0.00 C ATOM 0 H VAL A 73 6.938 -0.970 -10.101 1.00 0.00 H new ATOM 0 HA VAL A 73 6.068 -2.910 -12.126 1.00 0.00 H new ATOM 0 HB VAL A 73 8.719 -2.703 -11.347 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.161 -4.640 -9.896 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.194 -3.399 -9.065 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.410 -4.874 -9.680 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.971 -4.942 -12.340 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.212 -5.186 -12.224 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.866 -3.919 -13.288 1.00 0.00 H new ATOM 1095 N ALA A 74 5.803 -2.648 -8.882 1.00 0.00 N ATOM 1096 CA ALA A 74 5.043 -3.083 -7.716 1.00 0.00 C ATOM 1097 C ALA A 74 3.579 -2.672 -7.830 1.00 0.00 C ATOM 1098 O ALA A 74 2.754 -3.036 -6.992 1.00 0.00 O ATOM 1099 CB ALA A 74 5.655 -2.514 -6.445 1.00 0.00 C ATOM 0 H ALA A 74 6.380 -1.822 -8.725 1.00 0.00 H new ATOM 0 HA ALA A 74 5.085 -4.171 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.078 -2.847 -5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.684 -2.862 -6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.643 -1.425 -6.491 1.00 0.00 H new ATOM 1105 N LYS A 75 3.263 -1.911 -8.872 1.00 0.00 N ATOM 1106 CA LYS A 75 1.898 -1.450 -9.098 1.00 0.00 C ATOM 1107 C LYS A 75 1.329 -2.042 -10.383 1.00 0.00 C ATOM 1108 O LYS A 75 0.113 -2.101 -10.565 1.00 0.00 O ATOM 1109 CB LYS A 75 1.859 0.079 -9.166 1.00 0.00 C ATOM 1110 CG LYS A 75 3.032 0.684 -9.918 1.00 0.00 C ATOM 1111 CD LYS A 75 4.189 0.999 -8.985 1.00 0.00 C ATOM 1112 CE LYS A 75 4.007 2.348 -8.307 1.00 0.00 C ATOM 1113 NZ LYS A 75 4.144 3.476 -9.269 1.00 0.00 N ATOM 0 H LYS A 75 3.934 -1.600 -9.574 1.00 0.00 H new ATOM 0 HA LYS A 75 1.284 -1.786 -8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.931 0.390 -9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.843 0.479 -8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.365 -0.008 -10.692 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.711 1.596 -10.422 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.271 0.219 -8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.123 0.996 -9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.024 2.389 -7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.745 2.457 -7.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.217 4.372 -8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.000 3.340 -9.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.311 3.505 -9.891 1.00 0.00 H new ATOM 1127 N VAL A 76 2.216 -2.479 -11.271 1.00 0.00 N ATOM 1128 CA VAL A 76 1.801 -3.069 -12.538 1.00 0.00 C ATOM 1129 C VAL A 76 0.772 -4.173 -12.320 1.00 0.00 C ATOM 1130 O VAL A 76 -0.413 -3.997 -12.606 1.00 0.00 O ATOM 1131 CB VAL A 76 3.003 -3.649 -13.307 1.00 0.00 C ATOM 1132 CG1 VAL A 76 2.539 -4.352 -14.574 1.00 0.00 C ATOM 1133 CG2 VAL A 76 4.005 -2.552 -13.634 1.00 0.00 C ATOM 0 H VAL A 76 3.226 -2.436 -11.136 1.00 0.00 H new ATOM 0 HA VAL A 76 1.353 -2.269 -13.127 1.00 0.00 H new ATOM 0 HB VAL A 76 3.497 -4.385 -12.672 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.402 -4.755 -15.103 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.862 -5.165 -14.312 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.020 -3.640 -15.216 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.848 -2.979 -14.177 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.524 -1.792 -14.250 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.362 -2.098 -12.710 1.00 0.00 H new ATOM 1143 N PHE A 77 1.232 -5.311 -11.812 1.00 0.00 N ATOM 1144 CA PHE A 77 0.351 -6.445 -11.556 1.00 0.00 C ATOM 1145 C PHE A 77 -0.077 -6.481 -10.091 1.00 0.00 C ATOM 1146 O PHE A 77 0.563 -5.874 -9.233 1.00 0.00 O ATOM 1147 CB PHE A 77 1.049 -7.755 -11.927 1.00 0.00 C ATOM 1148 CG PHE A 77 0.149 -8.955 -11.855 1.00 0.00 C ATOM 1149 CD1 PHE A 77 -1.062 -8.971 -12.528 1.00 0.00 C ATOM 1150 CD2 PHE A 77 0.514 -10.068 -11.115 1.00 0.00 C ATOM 1151 CE1 PHE A 77 -1.892 -10.074 -12.462 1.00 0.00 C ATOM 1152 CE2 PHE A 77 -0.312 -11.174 -11.045 1.00 0.00 C ATOM 1153 CZ PHE A 77 -1.516 -11.177 -11.721 1.00 0.00 C ATOM 0 H PHE A 77 2.209 -5.473 -11.569 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.539 -6.328 -12.174 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.449 -7.671 -12.938 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.898 -7.907 -11.260 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.361 -8.112 -13.111 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.456 -10.071 -10.586 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -2.834 -10.073 -12.990 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.016 -12.034 -10.463 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.163 -12.041 -11.670 1.00 0.00 H new