USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 561 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 74 MET CE :methyl -153:sc= -0.117 (180deg=-0.519) USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 61 THR OG1 : rot 144:sc= 0.959 USER MOD Set 2.2: A 68 GLN : amide:sc= -3.01 K(o=-2,f=-4.2!) USER MOD Set 3.1: A 18 LYS NZ :NH3+ -176:sc= -1.18 (180deg=-1.24) USER MOD Set 3.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.355 USER MOD Single : A 17 ASN : amide:sc= 0.482 K(o=0.48,f=-0.44) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 108:sc= 0.0704 USER MOD Single : A 28 ASN : amide:sc= -14.6! C(o=-15!,f=-12!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -122:sc= 1.23 (180deg=-0.19) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0143 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.268 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= -2.24! (180deg=-2.79!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.184 USER MOD Single : A 77 GLN : amide:sc= -7.33! C(o=-7.3!,f=-4.7!) USER MOD Single : A 83 THR OG1 : rot 5:sc= 0.28 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0327 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.548 -5.376 -2.383 1.00 0.00 N ATOM 91 CA VAL A 7 -14.532 -4.095 -1.692 1.00 0.00 C ATOM 92 C VAL A 7 -13.660 -3.028 -2.387 1.00 0.00 C ATOM 93 O VAL A 7 -14.214 -2.130 -3.021 1.00 0.00 O ATOM 94 CB VAL A 7 -14.141 -4.252 -0.203 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.274 -3.779 0.687 1.00 0.00 C ATOM 96 CG2 VAL A 7 -13.789 -5.694 0.133 1.00 0.00 C ATOM 0 HA VAL A 7 -15.557 -3.726 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.258 -3.638 -0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -14.988 -3.894 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.484 -2.729 0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.166 -4.373 0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.519 -5.767 1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.648 -6.334 -0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.947 -6.015 -0.480 1.00 0.00 H new ATOM 106 N PRO A 8 -12.313 -3.042 -2.255 1.00 0.00 N ATOM 107 CA PRO A 8 -11.462 -2.016 -2.848 1.00 0.00 C ATOM 108 C PRO A 8 -10.647 -2.486 -4.074 1.00 0.00 C ATOM 109 O PRO A 8 -11.209 -2.788 -5.127 1.00 0.00 O ATOM 110 CB PRO A 8 -10.555 -1.749 -1.658 1.00 0.00 C ATOM 111 CG PRO A 8 -10.256 -3.127 -1.151 1.00 0.00 C ATOM 112 CD PRO A 8 -11.471 -3.979 -1.488 1.00 0.00 C ATOM 0 HA PRO A 8 -12.014 -1.167 -3.252 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.648 -1.221 -1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.049 -1.138 -0.902 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.358 -3.528 -1.621 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.075 -3.115 -0.076 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.201 -4.857 -2.075 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.976 -4.338 -0.592 1.00 0.00 H new ATOM 120 N LEU A 9 -9.315 -2.508 -3.925 1.00 0.00 N ATOM 121 CA LEU A 9 -8.389 -2.892 -4.991 1.00 0.00 C ATOM 122 C LEU A 9 -8.635 -4.311 -5.502 1.00 0.00 C ATOM 123 O LEU A 9 -8.642 -5.272 -4.734 1.00 0.00 O ATOM 124 CB LEU A 9 -6.951 -2.784 -4.447 1.00 0.00 C ATOM 125 CG LEU A 9 -5.783 -2.955 -5.448 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.237 -3.552 -6.763 1.00 0.00 C ATOM 127 CD2 LEU A 9 -5.087 -1.629 -5.705 1.00 0.00 C ATOM 0 H LEU A 9 -8.850 -2.257 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.546 -2.219 -5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.845 -1.808 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.833 -3.533 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.080 -3.649 -4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.382 -3.652 -7.432 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.675 -4.534 -6.585 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.981 -2.900 -7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.270 -1.778 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.801 -0.918 -6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.689 -1.239 -4.768 1.00 0.00 H new ATOM 139 N THR A 10 -8.782 -4.428 -6.823 1.00 0.00 N ATOM 140 CA THR A 10 -8.963 -5.718 -7.468 1.00 0.00 C ATOM 141 C THR A 10 -7.630 -6.194 -8.039 1.00 0.00 C ATOM 142 O THR A 10 -7.016 -5.509 -8.858 1.00 0.00 O ATOM 143 CB THR A 10 -9.995 -5.626 -8.589 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.272 -5.297 -8.075 1.00 0.00 O ATOM 145 CG2 THR A 10 -10.123 -6.915 -9.374 1.00 0.00 C ATOM 0 H THR A 10 -8.778 -3.636 -7.466 1.00 0.00 H new ATOM 0 HA THR A 10 -9.323 -6.429 -6.725 1.00 0.00 H new ATOM 0 HB THR A 10 -9.637 -4.843 -9.257 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.917 -5.242 -8.811 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.871 -6.791 -10.158 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.162 -7.163 -9.825 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.428 -7.720 -8.705 1.00 0.00 H new ATOM 153 N PHE A 11 -7.185 -7.361 -7.601 1.00 0.00 N ATOM 154 CA PHE A 11 -5.920 -7.922 -8.063 1.00 0.00 C ATOM 155 C PHE A 11 -6.124 -8.766 -9.324 1.00 0.00 C ATOM 156 O PHE A 11 -7.243 -8.892 -9.822 1.00 0.00 O ATOM 157 CB PHE A 11 -5.292 -8.760 -6.952 1.00 0.00 C ATOM 158 CG PHE A 11 -5.959 -10.072 -6.763 1.00 0.00 C ATOM 159 CD1 PHE A 11 -7.136 -10.177 -6.048 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.405 -11.198 -7.316 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.750 -11.402 -5.893 1.00 0.00 C ATOM 162 CE2 PHE A 11 -6.005 -12.422 -7.171 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.183 -12.528 -6.458 1.00 0.00 C ATOM 0 H PHE A 11 -7.681 -7.941 -6.924 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.246 -7.103 -8.316 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.239 -8.924 -7.180 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.332 -8.201 -6.017 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.578 -9.295 -5.608 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.483 -11.119 -7.873 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.670 -11.481 -5.333 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.558 -13.300 -7.613 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.660 -13.490 -6.342 1.00 0.00 H new ATOM 173 N THR A 12 -5.038 -9.338 -9.839 1.00 0.00 N ATOM 174 CA THR A 12 -5.105 -10.164 -11.049 1.00 0.00 C ATOM 175 C THR A 12 -5.449 -11.616 -10.710 1.00 0.00 C ATOM 176 O THR A 12 -5.974 -11.902 -9.645 1.00 0.00 O ATOM 177 CB THR A 12 -3.775 -10.103 -11.809 1.00 0.00 C ATOM 178 OG1 THR A 12 -3.946 -10.530 -13.152 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.687 -10.954 -11.186 1.00 0.00 C ATOM 0 H THR A 12 -4.103 -9.247 -9.441 1.00 0.00 H new ATOM 0 HA THR A 12 -5.897 -9.766 -11.683 1.00 0.00 H new ATOM 0 HB THR A 12 -3.463 -9.060 -11.764 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.087 -10.483 -13.622 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.774 -10.864 -11.774 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.498 -10.615 -10.168 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.006 -11.996 -11.168 1.00 0.00 H new ATOM 187 N ASP A 13 -5.150 -12.530 -11.626 1.00 0.00 N ATOM 188 CA ASP A 13 -5.418 -13.946 -11.407 1.00 0.00 C ATOM 189 C ASP A 13 -4.213 -14.634 -10.783 1.00 0.00 C ATOM 190 O ASP A 13 -4.344 -15.450 -9.875 1.00 0.00 O ATOM 191 CB ASP A 13 -5.772 -14.618 -12.725 1.00 0.00 C ATOM 192 CG ASP A 13 -7.011 -14.029 -13.371 1.00 0.00 C ATOM 193 OD1 ASP A 13 -7.016 -12.809 -13.634 1.00 0.00 O ATOM 194 OD2 ASP A 13 -7.976 -14.784 -13.611 1.00 0.00 O ATOM 0 H ASP A 13 -4.722 -12.316 -12.527 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.260 -14.034 -10.720 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.931 -14.526 -13.412 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.928 -15.683 -12.554 1.00 0.00 H new ATOM 199 N ALA A 14 -3.038 -14.301 -11.296 1.00 0.00 N ATOM 200 CA ALA A 14 -1.794 -14.885 -10.818 1.00 0.00 C ATOM 201 C ALA A 14 -1.572 -14.590 -9.343 1.00 0.00 C ATOM 202 O ALA A 14 -1.137 -15.462 -8.591 1.00 0.00 O ATOM 203 CB ALA A 14 -0.622 -14.378 -11.642 1.00 0.00 C ATOM 0 H ALA A 14 -2.920 -13.624 -12.050 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.866 -15.966 -10.934 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.302 -14.823 -11.273 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.766 -14.653 -12.687 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.561 -13.293 -11.558 1.00 0.00 H new ATOM 209 N ALA A 15 -1.884 -13.369 -8.916 1.00 0.00 N ATOM 210 CA ALA A 15 -1.720 -13.013 -7.516 1.00 0.00 C ATOM 211 C ALA A 15 -2.455 -14.034 -6.660 1.00 0.00 C ATOM 212 O ALA A 15 -2.033 -14.366 -5.553 1.00 0.00 O ATOM 213 CB ALA A 15 -2.209 -11.597 -7.250 1.00 0.00 C ATOM 0 H ALA A 15 -2.246 -12.623 -9.510 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.662 -13.030 -7.256 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.074 -11.358 -6.195 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.638 -10.895 -7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.266 -11.523 -7.507 1.00 0.00 H new ATOM 219 N ALA A 16 -3.534 -14.568 -7.217 1.00 0.00 N ATOM 220 CA ALA A 16 -4.307 -15.600 -6.548 1.00 0.00 C ATOM 221 C ALA A 16 -3.549 -16.912 -6.606 1.00 0.00 C ATOM 222 O ALA A 16 -3.495 -17.671 -5.639 1.00 0.00 O ATOM 223 CB ALA A 16 -5.646 -15.781 -7.236 1.00 0.00 C ATOM 0 H ALA A 16 -3.893 -14.301 -8.134 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.469 -15.302 -5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.216 -16.557 -6.725 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.201 -14.843 -7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.485 -16.073 -8.274 1.00 0.00 H new ATOM 229 N ASN A 17 -2.981 -17.163 -7.776 1.00 0.00 N ATOM 230 CA ASN A 17 -2.227 -18.374 -8.038 1.00 0.00 C ATOM 231 C ASN A 17 -1.098 -18.568 -7.030 1.00 0.00 C ATOM 232 O ASN A 17 -0.972 -19.643 -6.445 1.00 0.00 O ATOM 233 CB ASN A 17 -1.654 -18.329 -9.453 1.00 0.00 C ATOM 234 CG ASN A 17 -2.681 -18.676 -10.511 1.00 0.00 C ATOM 235 OD1 ASN A 17 -2.586 -19.711 -11.174 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.672 -17.816 -10.679 1.00 0.00 N ATOM 0 H ASN A 17 -3.032 -16.528 -8.572 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.909 -19.219 -7.940 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.259 -17.332 -9.649 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.817 -19.023 -9.524 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.393 -17.999 -11.377 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.715 -16.970 -10.110 1.00 0.00 H new ATOM 243 N LYS A 18 -0.275 -17.547 -6.824 1.00 0.00 N ATOM 244 CA LYS A 18 0.829 -17.665 -5.879 1.00 0.00 C ATOM 245 C LYS A 18 0.302 -18.088 -4.518 1.00 0.00 C ATOM 246 O LYS A 18 0.954 -18.838 -3.794 1.00 0.00 O ATOM 247 CB LYS A 18 1.611 -16.351 -5.767 1.00 0.00 C ATOM 248 CG LYS A 18 0.777 -15.178 -5.282 1.00 0.00 C ATOM 249 CD LYS A 18 0.732 -15.105 -3.763 1.00 0.00 C ATOM 250 CE LYS A 18 1.844 -14.239 -3.203 1.00 0.00 C ATOM 251 NZ LYS A 18 3.156 -14.522 -3.849 1.00 0.00 N ATOM 0 H LYS A 18 -0.348 -16.642 -7.290 1.00 0.00 H new ATOM 0 HA LYS A 18 1.515 -18.427 -6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.449 -16.495 -5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.032 -16.106 -6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.190 -14.250 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.237 -15.268 -5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.232 -14.706 -3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.812 -16.110 -3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.590 -13.188 -3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.926 -14.405 -2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.898 -13.957 -3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.380 -15.533 -3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.107 -14.274 -4.858 1.00 0.00 H new ATOM 265 N VAL A 19 -0.894 -17.613 -4.183 1.00 0.00 N ATOM 266 CA VAL A 19 -1.514 -17.956 -2.915 1.00 0.00 C ATOM 267 C VAL A 19 -1.970 -19.404 -2.910 1.00 0.00 C ATOM 268 O VAL A 19 -1.393 -20.241 -2.225 1.00 0.00 O ATOM 269 CB VAL A 19 -2.722 -17.047 -2.616 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.319 -17.368 -1.253 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.323 -15.583 -2.700 1.00 0.00 C ATOM 0 H VAL A 19 -1.449 -16.992 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.761 -17.810 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.486 -17.237 -3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.170 -16.713 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.650 -18.407 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.566 -17.214 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.189 -14.957 -2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.538 -15.378 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.955 -15.363 -3.702 1.00 0.00 H new ATOM 281 N LYS A 20 -3.011 -19.685 -3.685 1.00 0.00 N ATOM 282 CA LYS A 20 -3.574 -21.028 -3.788 1.00 0.00 C ATOM 283 C LYS A 20 -2.537 -22.078 -4.168 1.00 0.00 C ATOM 284 O LYS A 20 -2.767 -23.278 -3.995 1.00 0.00 O ATOM 285 CB LYS A 20 -4.684 -21.057 -4.834 1.00 0.00 C ATOM 286 CG LYS A 20 -4.308 -20.379 -6.142 1.00 0.00 C ATOM 287 CD LYS A 20 -4.070 -21.402 -7.255 1.00 0.00 C ATOM 288 CE LYS A 20 -5.242 -22.348 -7.408 1.00 0.00 C ATOM 289 NZ LYS A 20 -5.258 -22.998 -8.749 1.00 0.00 N ATOM 0 H LYS A 20 -3.489 -18.990 -4.259 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.961 -21.271 -2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.954 -22.094 -5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.570 -20.571 -4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.102 -19.694 -6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.408 -19.781 -5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.898 -20.881 -8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.168 -21.973 -7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.194 -23.114 -6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.173 -21.801 -7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.075 -23.638 -8.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.329 -22.269 -9.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.381 -23.541 -8.882 1.00 0.00 H new ATOM 303 N SER A 21 -1.422 -21.637 -4.729 1.00 0.00 N ATOM 304 CA SER A 21 -0.397 -22.568 -5.174 1.00 0.00 C ATOM 305 C SER A 21 0.578 -22.941 -4.063 1.00 0.00 C ATOM 306 O SER A 21 0.910 -24.122 -3.901 1.00 0.00 O ATOM 307 CB SER A 21 0.371 -21.989 -6.363 1.00 0.00 C ATOM 308 OG SER A 21 1.361 -22.894 -6.820 1.00 0.00 O ATOM 0 H SER A 21 -1.205 -20.653 -4.886 1.00 0.00 H new ATOM 0 HA SER A 21 -0.912 -23.480 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.323 -21.764 -7.173 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.839 -21.048 -6.074 1.00 0.00 H new ATOM 0 HG SER A 21 1.837 -22.501 -7.581 1.00 0.00 H new ATOM 314 N LEU A 22 1.040 -21.958 -3.313 1.00 0.00 N ATOM 315 CA LEU A 22 1.984 -22.228 -2.241 1.00 0.00 C ATOM 316 C LEU A 22 1.253 -22.649 -0.976 1.00 0.00 C ATOM 317 O LEU A 22 1.808 -23.352 -0.141 1.00 0.00 O ATOM 318 CB LEU A 22 2.910 -21.016 -2.010 1.00 0.00 C ATOM 319 CG LEU A 22 2.607 -20.109 -0.808 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.249 -19.454 -0.963 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.698 -20.875 0.508 1.00 0.00 C ATOM 0 H LEU A 22 0.782 -20.977 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 22 2.621 -23.063 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.929 -21.387 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.889 -20.400 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 22 3.365 -19.326 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.053 -18.816 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.237 -18.852 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.479 -20.223 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.478 -20.202 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.978 -21.693 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.704 -21.278 0.626 1.00 0.00 H new ATOM 333 N ILE A 23 0.001 -22.221 -0.839 1.00 0.00 N ATOM 334 CA ILE A 23 -0.785 -22.592 0.316 1.00 0.00 C ATOM 335 C ILE A 23 -1.183 -24.048 0.219 1.00 0.00 C ATOM 336 O ILE A 23 -0.984 -24.819 1.154 1.00 0.00 O ATOM 337 CB ILE A 23 -2.032 -21.718 0.447 1.00 0.00 C ATOM 338 CG1 ILE A 23 -2.877 -21.809 -0.815 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.641 -20.281 0.708 1.00 0.00 C ATOM 340 CD1 ILE A 23 -4.001 -22.811 -0.726 1.00 0.00 C ATOM 0 H ILE A 23 -0.480 -21.623 -1.511 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.173 -22.439 1.205 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.621 -22.080 1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.296 -20.826 -1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.233 -22.073 -1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.539 -19.670 0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.067 -20.222 1.633 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.034 -19.913 -0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.557 -22.818 -1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.590 -23.803 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.669 -22.537 0.090 1.00 0.00 H new ATOM 352 N SER A 24 -1.699 -24.429 -0.933 1.00 0.00 N ATOM 353 CA SER A 24 -2.078 -25.808 -1.178 1.00 0.00 C ATOM 354 C SER A 24 -0.855 -26.688 -1.034 1.00 0.00 C ATOM 355 O SER A 24 -0.961 -27.887 -0.754 1.00 0.00 O ATOM 356 CB SER A 24 -2.657 -25.947 -2.580 1.00 0.00 C ATOM 357 OG SER A 24 -4.039 -25.631 -2.601 1.00 0.00 O ATOM 0 H SER A 24 -1.866 -23.800 -1.718 1.00 0.00 H new ATOM 0 HA SER A 24 -2.836 -26.113 -0.456 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.121 -25.289 -3.264 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.509 -26.966 -2.937 1.00 0.00 H new ATOM 0 HG SER A 24 -4.171 -24.768 -3.046 1.00 0.00 H new ATOM 363 N GLU A 25 0.316 -26.077 -1.204 1.00 0.00 N ATOM 364 CA GLU A 25 1.575 -26.778 -1.087 1.00 0.00 C ATOM 365 C GLU A 25 1.985 -26.874 0.376 1.00 0.00 C ATOM 366 O GLU A 25 2.796 -27.725 0.748 1.00 0.00 O ATOM 367 CB GLU A 25 2.663 -26.063 -1.892 1.00 0.00 C ATOM 368 CG GLU A 25 3.277 -26.920 -2.982 1.00 0.00 C ATOM 369 CD GLU A 25 4.436 -26.245 -3.683 1.00 0.00 C ATOM 370 OE1 GLU A 25 5.409 -25.870 -2.983 1.00 0.00 O ATOM 371 OE2 GLU A 25 4.381 -26.094 -4.915 1.00 0.00 O ATOM 0 H GLU A 25 0.409 -25.086 -1.426 1.00 0.00 H new ATOM 0 HA GLU A 25 1.451 -27.784 -1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.239 -25.166 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.450 -25.736 -1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.619 -27.859 -2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.511 -27.169 -3.716 1.00 0.00 H new ATOM 378 N GLU A 26 1.406 -26.011 1.208 1.00 0.00 N ATOM 379 CA GLU A 26 1.707 -26.017 2.629 1.00 0.00 C ATOM 380 C GLU A 26 0.919 -27.120 3.317 1.00 0.00 C ATOM 381 O GLU A 26 1.243 -27.523 4.441 1.00 0.00 O ATOM 382 CB GLU A 26 1.391 -24.671 3.252 1.00 0.00 C ATOM 383 CG GLU A 26 2.155 -23.516 2.619 1.00 0.00 C ATOM 384 CD GLU A 26 3.111 -22.849 3.582 1.00 0.00 C ATOM 385 OE1 GLU A 26 2.648 -22.376 4.639 1.00 0.00 O ATOM 386 OE2 GLU A 26 4.318 -22.791 3.273 1.00 0.00 O ATOM 0 H GLU A 26 0.730 -25.304 0.920 1.00 0.00 H new ATOM 0 HA GLU A 26 2.772 -26.207 2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.321 -24.481 3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.621 -24.709 4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.712 -23.884 1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.445 -22.777 2.248 1.00 0.00 H new ATOM 393 N GLU A 27 -0.133 -27.574 2.643 1.00 0.00 N ATOM 394 CA GLU A 27 -1.000 -28.617 3.179 1.00 0.00 C ATOM 395 C GLU A 27 -2.002 -27.992 4.139 1.00 0.00 C ATOM 396 O GLU A 27 -2.707 -28.707 4.857 1.00 0.00 O ATOM 397 CB GLU A 27 -0.190 -29.705 3.890 1.00 0.00 C ATOM 398 CG GLU A 27 -0.915 -31.039 3.981 1.00 0.00 C ATOM 399 CD GLU A 27 -0.417 -32.048 2.960 1.00 0.00 C ATOM 400 OE1 GLU A 27 -0.516 -31.760 1.749 1.00 0.00 O ATOM 401 OE2 GLU A 27 0.075 -33.119 3.373 1.00 0.00 O ATOM 0 H GLU A 27 -0.406 -27.234 1.721 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.529 -29.090 2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.753 -29.848 3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.056 -29.365 4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.788 -31.449 4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.983 -30.878 3.835 1.00 0.00 H new ATOM 408 N ASN A 28 -2.072 -26.661 4.145 1.00 0.00 N ATOM 409 CA ASN A 28 -3.008 -25.977 5.025 1.00 0.00 C ATOM 410 C ASN A 28 -4.408 -26.467 4.752 1.00 0.00 C ATOM 411 O ASN A 28 -5.001 -27.165 5.572 1.00 0.00 O ATOM 412 CB ASN A 28 -2.986 -24.456 4.831 1.00 0.00 C ATOM 413 CG ASN A 28 -1.661 -23.918 4.355 1.00 0.00 C ATOM 414 OD1 ASN A 28 -0.673 -23.914 5.081 1.00 0.00 O ATOM 415 ND2 ASN A 28 -1.641 -23.450 3.116 1.00 0.00 N ATOM 0 H ASN A 28 -1.502 -26.048 3.561 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.704 -26.198 6.048 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.758 -24.180 4.112 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.244 -23.976 5.775 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.779 -23.066 2.730 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.488 -23.474 2.548 1.00 0.00 H new ATOM 422 N THR A 29 -4.933 -26.092 3.586 1.00 0.00 N ATOM 423 CA THR A 29 -6.291 -26.488 3.191 1.00 0.00 C ATOM 424 C THR A 29 -6.866 -25.588 2.106 1.00 0.00 C ATOM 425 O THR A 29 -7.462 -26.058 1.144 1.00 0.00 O ATOM 426 CB THR A 29 -7.220 -26.432 4.403 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.580 -26.434 4.000 1.00 0.00 O ATOM 428 CG2 THR A 29 -6.986 -25.192 5.247 1.00 0.00 C ATOM 0 H THR A 29 -4.444 -25.518 2.899 1.00 0.00 H new ATOM 0 HA THR A 29 -6.222 -27.502 2.796 1.00 0.00 H new ATOM 0 HB THR A 29 -6.996 -27.318 4.996 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.156 -26.399 4.792 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.669 -25.196 6.097 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.958 -25.186 5.608 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.163 -24.302 4.643 1.00 0.00 H new ATOM 436 N ASP A 30 -6.714 -24.280 2.292 1.00 0.00 N ATOM 437 CA ASP A 30 -7.245 -23.287 1.361 1.00 0.00 C ATOM 438 C ASP A 30 -7.072 -21.914 1.972 1.00 0.00 C ATOM 439 O ASP A 30 -8.034 -21.261 2.375 1.00 0.00 O ATOM 440 CB ASP A 30 -8.725 -23.557 1.065 1.00 0.00 C ATOM 441 CG ASP A 30 -8.932 -24.232 -0.278 1.00 0.00 C ATOM 442 OD1 ASP A 30 -8.112 -24.003 -1.191 1.00 0.00 O ATOM 443 OD2 ASP A 30 -9.916 -24.990 -0.416 1.00 0.00 O ATOM 0 H ASP A 30 -6.221 -23.879 3.090 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.703 -23.345 0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.142 -24.185 1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.274 -22.616 1.084 1.00 0.00 H new ATOM 448 N LEU A 31 -5.823 -21.523 2.069 1.00 0.00 N ATOM 449 CA LEU A 31 -5.445 -20.269 2.669 1.00 0.00 C ATOM 450 C LEU A 31 -6.065 -19.068 1.976 1.00 0.00 C ATOM 451 O LEU A 31 -6.435 -19.119 0.805 1.00 0.00 O ATOM 452 CB LEU A 31 -3.931 -20.155 2.631 1.00 0.00 C ATOM 453 CG LEU A 31 -3.258 -20.107 3.989 1.00 0.00 C ATOM 454 CD1 LEU A 31 -3.866 -19.014 4.837 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.378 -21.453 4.691 1.00 0.00 C ATOM 0 H LEU A 31 -5.034 -22.073 1.730 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.817 -20.264 3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.532 -21.003 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.663 -19.255 2.077 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.200 -19.887 3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.373 -18.991 5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.734 -18.053 4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.930 -19.209 4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.890 -21.401 5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.431 -21.700 4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.899 -22.223 4.086 1.00 0.00 H new ATOM 467 N LYS A 32 -6.149 -17.983 2.731 1.00 0.00 N ATOM 468 CA LYS A 32 -6.695 -16.732 2.244 1.00 0.00 C ATOM 469 C LYS A 32 -5.621 -15.653 2.295 1.00 0.00 C ATOM 470 O LYS A 32 -5.069 -15.372 3.359 1.00 0.00 O ATOM 471 CB LYS A 32 -7.893 -16.316 3.098 1.00 0.00 C ATOM 472 CG LYS A 32 -9.041 -17.309 3.070 1.00 0.00 C ATOM 473 CD LYS A 32 -9.782 -17.338 4.398 1.00 0.00 C ATOM 474 CE LYS A 32 -10.228 -15.946 4.823 1.00 0.00 C ATOM 475 NZ LYS A 32 -10.296 -15.815 6.299 1.00 0.00 N ATOM 0 H LYS A 32 -5.838 -17.949 3.702 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.026 -16.862 1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.564 -16.184 4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.254 -15.347 2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.734 -17.044 2.271 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.658 -18.304 2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.652 -17.990 4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.136 -17.764 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.535 -15.205 4.424 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.207 -15.731 4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.259 -15.541 6.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.053 -16.725 6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.623 -15.087 6.614 1.00 0.00 H new ATOM 489 N LEU A 33 -5.318 -15.055 1.152 1.00 0.00 N ATOM 490 CA LEU A 33 -4.302 -14.022 1.090 1.00 0.00 C ATOM 491 C LEU A 33 -4.666 -12.861 2.006 1.00 0.00 C ATOM 492 O LEU A 33 -5.837 -12.515 2.149 1.00 0.00 O ATOM 493 CB LEU A 33 -4.153 -13.532 -0.351 1.00 0.00 C ATOM 494 CG LEU A 33 -2.862 -12.773 -0.663 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.917 -11.366 -0.092 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.649 -13.522 -0.130 1.00 0.00 C ATOM 0 H LEU A 33 -5.762 -15.269 0.259 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.353 -14.440 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.217 -14.393 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.999 -12.885 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.765 -12.700 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.990 -10.842 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.757 -10.828 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.044 -11.417 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.744 -12.962 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.737 -13.634 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.597 -14.507 -0.594 1.00 0.00 H new ATOM 508 N ARG A 34 -3.652 -12.260 2.618 1.00 0.00 N ATOM 509 CA ARG A 34 -3.866 -11.131 3.511 1.00 0.00 C ATOM 510 C ARG A 34 -2.791 -10.077 3.293 1.00 0.00 C ATOM 511 O ARG A 34 -1.685 -10.171 3.824 1.00 0.00 O ATOM 512 CB ARG A 34 -3.884 -11.592 4.968 1.00 0.00 C ATOM 513 CG ARG A 34 -4.063 -10.456 5.964 1.00 0.00 C ATOM 514 CD ARG A 34 -2.771 -10.150 6.703 1.00 0.00 C ATOM 515 NE ARG A 34 -2.604 -8.719 6.945 1.00 0.00 N ATOM 516 CZ ARG A 34 -1.778 -8.213 7.858 1.00 0.00 C ATOM 517 NH1 ARG A 34 -1.048 -9.011 8.611 1.00 0.00 N ATOM 518 NH2 ARG A 34 -1.686 -6.899 8.012 1.00 0.00 N ATOM 0 H ARG A 34 -2.676 -12.536 2.511 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.836 -10.688 3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.691 -12.312 5.102 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.952 -12.113 5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.403 -9.563 5.440 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.840 -10.720 6.682 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.763 -10.682 7.654 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.925 -10.521 6.124 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.152 -8.070 6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.114 -10.022 8.496 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.417 -8.617 9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.248 -6.277 7.431 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.053 -6.511 8.711 1.00 0.00 H new ATOM 532 N VAL A 35 -3.121 -9.088 2.480 1.00 0.00 N ATOM 533 CA VAL A 35 -2.190 -8.021 2.145 1.00 0.00 C ATOM 534 C VAL A 35 -1.945 -7.052 3.288 1.00 0.00 C ATOM 535 O VAL A 35 -2.789 -6.851 4.164 1.00 0.00 O ATOM 536 CB VAL A 35 -2.696 -7.199 0.954 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.598 -6.296 0.419 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.229 -8.103 -0.132 1.00 0.00 C ATOM 0 H VAL A 35 -4.035 -9.001 2.036 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.256 -8.530 1.907 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.515 -6.567 1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.979 -5.722 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.273 -5.614 1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.754 -6.904 0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.583 -7.499 -0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.435 -8.767 -0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.054 -8.697 0.261 1.00 0.00 H new ATOM 548 N TYR A 36 -0.783 -6.422 3.221 1.00 0.00 N ATOM 549 CA TYR A 36 -0.368 -5.415 4.186 1.00 0.00 C ATOM 550 C TYR A 36 0.380 -4.316 3.445 1.00 0.00 C ATOM 551 O TYR A 36 0.673 -4.458 2.258 1.00 0.00 O ATOM 552 CB TYR A 36 0.515 -6.017 5.285 1.00 0.00 C ATOM 553 CG TYR A 36 1.274 -7.251 4.855 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.608 -8.441 4.596 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.655 -7.225 4.712 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.296 -9.571 4.203 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.352 -8.352 4.320 1.00 0.00 C ATOM 558 CZ TYR A 36 2.668 -9.523 4.066 1.00 0.00 C ATOM 559 OH TYR A 36 3.357 -10.647 3.677 1.00 0.00 O ATOM 0 H TYR A 36 -0.095 -6.597 2.489 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.252 -5.005 4.675 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.227 -5.262 5.619 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.110 -6.267 6.143 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.466 -8.483 4.704 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.193 -6.310 4.910 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.763 -10.489 4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.426 -8.316 4.213 1.00 0.00 H new ATOM 0 HH TYR A 36 4.314 -10.443 3.628 1.00 0.00 H new ATOM 569 N ILE A 37 0.678 -3.222 4.124 1.00 0.00 N ATOM 570 CA ILE A 37 1.380 -2.120 3.483 1.00 0.00 C ATOM 571 C ILE A 37 2.872 -2.415 3.351 1.00 0.00 C ATOM 572 O ILE A 37 3.576 -2.595 4.345 1.00 0.00 O ATOM 573 CB ILE A 37 1.160 -0.794 4.241 1.00 0.00 C ATOM 574 CG1 ILE A 37 -0.233 -0.236 3.937 1.00 0.00 C ATOM 575 CG2 ILE A 37 2.223 0.229 3.867 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.495 -0.035 2.461 1.00 0.00 C ATOM 0 H ILE A 37 0.449 -3.072 5.107 1.00 0.00 H new ATOM 0 HA ILE A 37 0.963 -2.012 2.482 1.00 0.00 H new ATOM 0 HB ILE A 37 1.239 -0.996 5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.984 -0.915 4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.354 0.717 4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.046 1.155 4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.209 -0.160 4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.177 0.426 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.500 0.362 2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.233 0.667 2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.407 -0.990 1.942 1.00 0.00 H new ATOM 672 N GLN A 46 2.785 -1.736 -4.073 1.00 0.00 N ATOM 673 CA GLN A 46 3.099 -3.158 -3.991 1.00 0.00 C ATOM 674 C GLN A 46 2.273 -3.860 -2.922 1.00 0.00 C ATOM 675 O GLN A 46 1.371 -4.631 -3.236 1.00 0.00 O ATOM 676 CB GLN A 46 4.583 -3.360 -3.712 1.00 0.00 C ATOM 677 CG GLN A 46 5.483 -2.699 -4.736 1.00 0.00 C ATOM 678 CD GLN A 46 6.883 -2.497 -4.207 1.00 0.00 C ATOM 679 OE1 GLN A 46 7.384 -1.375 -4.135 1.00 0.00 O ATOM 680 NE2 GLN A 46 7.519 -3.594 -3.833 1.00 0.00 N ATOM 0 HA GLN A 46 2.848 -3.601 -4.955 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.817 -2.963 -2.724 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.798 -4.428 -3.686 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.520 -3.312 -5.637 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.061 -1.736 -5.023 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.060 -4.502 -3.912 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.468 -3.533 -3.465 1.00 0.00 H new ATOM 689 N TYR A 47 2.591 -3.597 -1.659 1.00 0.00 N ATOM 690 CA TYR A 47 1.879 -4.217 -0.544 1.00 0.00 C ATOM 691 C TYR A 47 2.301 -5.672 -0.374 1.00 0.00 C ATOM 692 O TYR A 47 2.312 -6.445 -1.332 1.00 0.00 O ATOM 693 CB TYR A 47 0.368 -4.122 -0.749 1.00 0.00 C ATOM 694 CG TYR A 47 -0.087 -2.759 -1.216 1.00 0.00 C ATOM 695 CD1 TYR A 47 -0.133 -1.687 -0.337 1.00 0.00 C ATOM 696 CD2 TYR A 47 -0.470 -2.547 -2.533 1.00 0.00 C ATOM 697 CE1 TYR A 47 -0.550 -0.439 -0.757 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.887 -1.301 -2.962 1.00 0.00 C ATOM 699 CZ TYR A 47 -0.926 -0.250 -2.069 1.00 0.00 C ATOM 700 OH TYR A 47 -1.340 0.991 -2.489 1.00 0.00 O ATOM 0 H TYR A 47 3.337 -2.959 -1.380 1.00 0.00 H new ATOM 0 HA TYR A 47 2.139 -3.675 0.365 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.060 -4.870 -1.479 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.135 -4.364 0.187 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.162 -1.830 0.692 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.442 -3.368 -3.234 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.581 0.385 -0.060 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.181 -1.151 -3.990 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.569 0.955 -3.441 1.00 0.00 H new ATOM 710 N GLY A 48 2.660 -6.031 0.852 1.00 0.00 N ATOM 711 CA GLY A 48 3.093 -7.388 1.138 1.00 0.00 C ATOM 712 C GLY A 48 1.939 -8.361 1.285 1.00 0.00 C ATOM 713 O GLY A 48 0.950 -8.068 1.954 1.00 0.00 O ATOM 0 H GLY A 48 2.659 -5.405 1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.749 -7.730 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.681 -7.390 2.056 1.00 0.00 H new ATOM 717 N PHE A 49 2.063 -9.517 0.640 1.00 0.00 N ATOM 718 CA PHE A 49 1.024 -10.539 0.678 1.00 0.00 C ATOM 719 C PHE A 49 1.402 -11.721 1.566 1.00 0.00 C ATOM 720 O PHE A 49 2.510 -12.251 1.483 1.00 0.00 O ATOM 721 CB PHE A 49 0.749 -11.050 -0.733 1.00 0.00 C ATOM 722 CG PHE A 49 -0.210 -10.195 -1.494 1.00 0.00 C ATOM 723 CD1 PHE A 49 -0.166 -8.819 -1.378 1.00 0.00 C ATOM 724 CD2 PHE A 49 -1.163 -10.768 -2.315 1.00 0.00 C ATOM 725 CE1 PHE A 49 -1.054 -8.025 -2.065 1.00 0.00 C ATOM 726 CE2 PHE A 49 -2.059 -9.982 -3.009 1.00 0.00 C ATOM 727 CZ PHE A 49 -2.007 -8.606 -2.882 1.00 0.00 C ATOM 0 H PHE A 49 2.878 -9.770 0.082 1.00 0.00 H new ATOM 0 HA PHE A 49 0.133 -10.073 1.099 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.689 -11.106 -1.281 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.353 -12.064 -0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.575 -8.361 -0.740 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.206 -11.843 -2.414 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.007 -6.950 -1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.799 -10.440 -3.649 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.709 -7.986 -3.420 1.00 0.00 H new ATOM 737 N THR A 50 0.448 -12.151 2.385 1.00 0.00 N ATOM 738 CA THR A 50 0.642 -13.300 3.264 1.00 0.00 C ATOM 739 C THR A 50 -0.538 -14.257 3.120 1.00 0.00 C ATOM 740 O THR A 50 -1.578 -13.888 2.578 1.00 0.00 O ATOM 741 CB THR A 50 0.793 -12.866 4.725 1.00 0.00 C ATOM 742 OG1 THR A 50 1.319 -13.916 5.502 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.512 -12.437 5.356 1.00 0.00 C ATOM 0 H THR A 50 -0.473 -11.718 2.459 1.00 0.00 H new ATOM 0 HA THR A 50 1.562 -13.805 2.971 1.00 0.00 H new ATOM 0 HB THR A 50 1.468 -12.011 4.707 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.410 -13.621 6.432 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.336 -12.142 6.390 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.923 -11.593 4.803 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.219 -13.267 5.330 1.00 0.00 H new ATOM 751 N PHE A 51 -0.384 -15.482 3.604 1.00 0.00 N ATOM 752 CA PHE A 51 -1.445 -16.465 3.512 1.00 0.00 C ATOM 753 C PHE A 51 -2.038 -16.702 4.883 1.00 0.00 C ATOM 754 O PHE A 51 -1.502 -17.455 5.692 1.00 0.00 O ATOM 755 CB PHE A 51 -0.897 -17.741 2.877 1.00 0.00 C ATOM 756 CG PHE A 51 0.047 -17.420 1.757 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.437 -16.961 0.544 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.416 -17.523 1.936 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.431 -16.610 -0.473 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.288 -17.183 0.919 1.00 0.00 C ATOM 761 CZ PHE A 51 1.796 -16.722 -0.285 1.00 0.00 C ATOM 0 H PHE A 51 0.464 -15.814 4.062 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.251 -16.103 2.873 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.383 -18.336 3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.721 -18.347 2.501 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.503 -16.876 0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.807 -17.873 2.880 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.043 -16.249 -1.414 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.354 -17.278 1.067 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.476 -16.449 -1.079 1.00 0.00 H new ATOM 771 N ASP A 52 -3.132 -16.008 5.143 1.00 0.00 N ATOM 772 CA ASP A 52 -3.819 -16.071 6.420 1.00 0.00 C ATOM 773 C ASP A 52 -5.255 -16.548 6.261 1.00 0.00 C ATOM 774 O ASP A 52 -6.110 -15.827 5.749 1.00 0.00 O ATOM 775 CB ASP A 52 -3.779 -14.696 7.079 1.00 0.00 C ATOM 776 CG ASP A 52 -4.531 -14.654 8.388 1.00 0.00 C ATOM 777 OD1 ASP A 52 -5.773 -14.506 8.347 1.00 0.00 O ATOM 778 OD2 ASP A 52 -3.884 -14.759 9.446 1.00 0.00 O ATOM 0 H ASP A 52 -3.571 -15.381 4.469 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.309 -16.796 7.054 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.741 -14.411 7.252 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.203 -13.959 6.397 1.00 0.00 H new ATOM 783 N GLU A 53 -5.502 -17.776 6.685 1.00 0.00 N ATOM 784 CA GLU A 53 -6.823 -18.386 6.582 1.00 0.00 C ATOM 785 C GLU A 53 -7.810 -17.839 7.617 1.00 0.00 C ATOM 786 O GLU A 53 -9.017 -17.874 7.398 1.00 0.00 O ATOM 787 CB GLU A 53 -6.711 -19.902 6.728 1.00 0.00 C ATOM 788 CG GLU A 53 -7.320 -20.677 5.577 1.00 0.00 C ATOM 789 CD GLU A 53 -8.538 -21.477 5.986 1.00 0.00 C ATOM 790 OE1 GLU A 53 -8.394 -22.355 6.867 1.00 0.00 O ATOM 791 OE2 GLU A 53 -9.620 -21.237 5.435 1.00 0.00 O ATOM 0 H GLU A 53 -4.797 -18.379 7.109 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.214 -18.132 5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.659 -20.172 6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.198 -20.205 7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.597 -19.982 4.784 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.571 -21.351 5.163 1.00 0.00 H new ATOM 881 N LEU A 60 -10.672 -5.855 5.549 1.00 0.00 N ATOM 882 CA LEU A 60 -11.579 -6.093 4.431 1.00 0.00 C ATOM 883 C LEU A 60 -11.134 -7.324 3.654 1.00 0.00 C ATOM 884 O LEU A 60 -9.988 -7.742 3.762 1.00 0.00 O ATOM 885 CB LEU A 60 -11.646 -4.867 3.519 1.00 0.00 C ATOM 886 CG LEU A 60 -11.810 -3.521 4.236 1.00 0.00 C ATOM 887 CD1 LEU A 60 -12.590 -2.550 3.365 1.00 0.00 C ATOM 888 CD2 LEU A 60 -12.506 -3.699 5.582 1.00 0.00 C ATOM 0 HA LEU A 60 -12.580 -6.272 4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.736 -4.831 2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.479 -4.995 2.828 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.816 -3.112 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.698 -1.599 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.055 -2.391 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.577 -2.962 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.609 -2.729 6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.493 -4.134 5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.913 -4.361 6.213 1.00 0.00 H new ATOM 900 N THR A 61 -12.051 -7.930 2.901 1.00 0.00 N ATOM 901 CA THR A 61 -11.701 -9.135 2.158 1.00 0.00 C ATOM 902 C THR A 61 -12.341 -9.201 0.773 1.00 0.00 C ATOM 903 O THR A 61 -13.542 -9.022 0.602 1.00 0.00 O ATOM 904 CB THR A 61 -12.097 -10.381 2.970 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.380 -10.850 2.594 1.00 0.00 O ATOM 906 CG2 THR A 61 -12.115 -10.150 4.466 1.00 0.00 C ATOM 0 H THR A 61 -13.015 -7.616 2.791 1.00 0.00 H new ATOM 0 HA THR A 61 -10.622 -9.104 2.005 1.00 0.00 H new ATOM 0 HB THR A 61 -11.327 -11.118 2.742 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.393 -11.829 2.628 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.403 -11.071 4.973 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.122 -9.847 4.799 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.833 -9.365 4.704 1.00 0.00 H new ATOM 914 N ILE A 62 -11.496 -9.506 -0.206 1.00 0.00 N ATOM 915 CA ILE A 62 -11.900 -9.662 -1.594 1.00 0.00 C ATOM 916 C ILE A 62 -11.594 -11.093 -2.031 1.00 0.00 C ATOM 917 O ILE A 62 -10.465 -11.551 -1.889 1.00 0.00 O ATOM 918 CB ILE A 62 -11.143 -8.689 -2.528 1.00 0.00 C ATOM 919 CG1 ILE A 62 -9.836 -8.206 -1.882 1.00 0.00 C ATOM 920 CG2 ILE A 62 -12.028 -7.512 -2.902 1.00 0.00 C ATOM 921 CD1 ILE A 62 -10.030 -7.208 -0.757 1.00 0.00 C ATOM 0 H ILE A 62 -10.498 -9.653 -0.053 1.00 0.00 H new ATOM 0 HA ILE A 62 -12.965 -9.441 -1.665 1.00 0.00 H new ATOM 0 HB ILE A 62 -10.884 -9.228 -3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.293 -9.069 -1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.210 -7.753 -2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.479 -6.838 -3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.918 -7.875 -3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.323 -6.977 -1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.059 -6.918 -0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.543 -6.325 -1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.628 -7.662 0.033 1.00 0.00 H new ATOM 933 N GLU A 63 -12.582 -11.810 -2.547 1.00 0.00 N ATOM 934 CA GLU A 63 -12.353 -13.190 -2.968 1.00 0.00 C ATOM 935 C GLU A 63 -11.276 -13.253 -4.046 1.00 0.00 C ATOM 936 O GLU A 63 -11.073 -12.295 -4.789 1.00 0.00 O ATOM 937 CB GLU A 63 -13.644 -13.815 -3.480 1.00 0.00 C ATOM 938 CG GLU A 63 -13.602 -15.334 -3.544 1.00 0.00 C ATOM 939 CD GLU A 63 -14.766 -15.977 -2.825 1.00 0.00 C ATOM 940 OE1 GLU A 63 -15.016 -15.626 -1.657 1.00 0.00 O ATOM 941 OE2 GLU A 63 -15.427 -16.840 -3.437 1.00 0.00 O ATOM 0 H GLU A 63 -13.534 -11.470 -2.684 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.011 -13.756 -2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.467 -13.510 -2.834 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.858 -13.424 -4.475 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.604 -15.650 -4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.669 -15.687 -3.106 1.00 0.00 H new ATOM 948 N LYS A 64 -10.581 -14.385 -4.120 1.00 0.00 N ATOM 949 CA LYS A 64 -9.521 -14.560 -5.104 1.00 0.00 C ATOM 950 C LYS A 64 -9.874 -15.646 -6.111 1.00 0.00 C ATOM 951 O LYS A 64 -10.857 -16.370 -5.949 1.00 0.00 O ATOM 952 CB LYS A 64 -8.192 -14.892 -4.416 1.00 0.00 C ATOM 953 CG LYS A 64 -7.709 -13.794 -3.477 1.00 0.00 C ATOM 954 CD LYS A 64 -6.281 -14.024 -2.987 1.00 0.00 C ATOM 955 CE LYS A 64 -5.251 -13.544 -3.996 1.00 0.00 C ATOM 956 NZ LYS A 64 -4.878 -12.120 -3.774 1.00 0.00 N ATOM 0 H LYS A 64 -10.733 -15.190 -3.513 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.413 -13.618 -5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.304 -15.819 -3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.432 -15.071 -5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.763 -12.834 -3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.378 -13.735 -2.619 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.133 -13.502 -2.041 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.131 -15.086 -2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.359 -14.167 -3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.648 -13.662 -5.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.027 -11.894 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.661 -11.505 -4.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.685 -11.965 -2.764 1.00 0.00 H new ATOM 970 N SER A 65 -9.060 -15.739 -7.154 1.00 0.00 N ATOM 971 CA SER A 65 -9.265 -16.721 -8.212 1.00 0.00 C ATOM 972 C SER A 65 -9.470 -18.120 -7.651 1.00 0.00 C ATOM 973 O SER A 65 -10.315 -18.873 -8.137 1.00 0.00 O ATOM 974 CB SER A 65 -8.062 -16.717 -9.155 1.00 0.00 C ATOM 975 OG SER A 65 -8.477 -16.674 -10.511 1.00 0.00 O ATOM 0 H SER A 65 -8.245 -15.141 -7.291 1.00 0.00 H new ATOM 0 HA SER A 65 -10.168 -16.444 -8.756 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.428 -15.857 -8.938 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.459 -17.609 -8.984 1.00 0.00 H new ATOM 0 HG SER A 65 -7.689 -16.671 -11.094 1.00 0.00 H new ATOM 981 N GLY A 66 -8.689 -18.477 -6.643 1.00 0.00 N ATOM 982 CA GLY A 66 -8.794 -19.794 -6.049 1.00 0.00 C ATOM 983 C GLY A 66 -8.851 -19.773 -4.535 1.00 0.00 C ATOM 984 O GLY A 66 -8.787 -20.813 -3.888 1.00 0.00 O ATOM 0 H GLY A 66 -7.981 -17.875 -6.224 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.689 -20.286 -6.431 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.941 -20.395 -6.364 1.00 0.00 H new ATOM 988 N VAL A 67 -8.966 -18.574 -3.961 1.00 0.00 N ATOM 989 CA VAL A 67 -9.029 -18.426 -2.511 1.00 0.00 C ATOM 990 C VAL A 67 -9.762 -17.136 -2.138 1.00 0.00 C ATOM 991 O VAL A 67 -10.614 -16.664 -2.889 1.00 0.00 O ATOM 992 CB VAL A 67 -7.612 -18.428 -1.891 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.834 -19.652 -2.354 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.862 -17.163 -2.246 1.00 0.00 C ATOM 0 H VAL A 67 -9.017 -17.696 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.580 -19.276 -2.110 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.717 -18.467 -0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.839 -19.640 -1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.359 -20.556 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.747 -19.638 -3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.869 -17.191 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.769 -17.087 -3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.407 -16.298 -1.867 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.422 -16.560 -0.985 1.00 0.00 N ATOM 1005 CA GLN A 68 -10.047 -15.322 -0.541 1.00 0.00 C ATOM 1006 C GLN A 68 -8.986 -14.341 -0.036 1.00 0.00 C ATOM 1007 O GLN A 68 -8.121 -14.704 0.760 1.00 0.00 O ATOM 1008 CB GLN A 68 -11.117 -15.630 0.518 1.00 0.00 C ATOM 1009 CG GLN A 68 -10.946 -14.916 1.848 1.00 0.00 C ATOM 1010 CD GLN A 68 -11.674 -13.589 1.913 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -12.202 -13.213 2.957 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -11.713 -12.872 0.797 1.00 0.00 N ATOM 0 H GLN A 68 -8.719 -16.932 -0.346 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.548 -14.840 -1.381 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.093 -15.370 0.109 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.124 -16.705 0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.309 -15.561 2.648 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.884 -14.749 2.029 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.262 -13.220 -0.049 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.194 -11.973 0.785 1.00 0.00 H new ATOM 1021 N LEU A 69 -9.049 -13.104 -0.519 1.00 0.00 N ATOM 1022 CA LEU A 69 -8.087 -12.077 -0.129 1.00 0.00 C ATOM 1023 C LEU A 69 -8.636 -11.197 0.993 1.00 0.00 C ATOM 1024 O LEU A 69 -9.803 -10.816 0.976 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.726 -11.213 -1.342 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.878 -9.972 -1.052 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.825 -10.261 0.004 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -6.214 -9.494 -2.326 1.00 0.00 C ATOM 0 H LEU A 69 -9.757 -12.788 -1.182 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.192 -12.576 0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.191 -11.835 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.650 -10.893 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.536 -9.192 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.238 -9.361 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.312 -10.573 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.168 -11.057 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.612 -8.611 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.574 -10.283 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.978 -9.244 -3.063 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.786 -10.877 1.964 1.00 0.00 N ATOM 1041 CA VAL A 70 -8.182 -10.037 3.091 1.00 0.00 C ATOM 1042 C VAL A 70 -7.052 -9.066 3.450 1.00 0.00 C ATOM 1043 O VAL A 70 -5.984 -9.479 3.890 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.596 -10.889 4.327 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -8.975 -12.304 3.908 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.504 -10.936 5.387 1.00 0.00 C ATOM 0 H VAL A 70 -6.815 -11.188 1.993 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.057 -9.461 2.789 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.465 -10.401 4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.260 -12.880 4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.813 -12.265 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.123 -12.780 3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.840 -11.542 6.229 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.602 -11.375 4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.287 -9.925 5.731 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.276 -7.773 3.236 1.00 0.00 N ATOM 1057 CA ILE A 71 -6.243 -6.782 3.524 1.00 0.00 C ATOM 1058 C ILE A 71 -6.587 -5.923 4.739 1.00 0.00 C ATOM 1059 O ILE A 71 -7.670 -6.041 5.316 1.00 0.00 O ATOM 1060 CB ILE A 71 -5.955 -5.879 2.298 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -6.979 -4.748 2.183 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -5.939 -6.708 1.022 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.398 -5.234 1.996 1.00 0.00 C ATOM 0 H ILE A 71 -8.148 -7.391 2.870 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.340 -7.346 3.757 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.973 -5.428 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.930 -4.132 3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.709 -4.109 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.736 -6.060 0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.162 -7.469 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.908 -7.189 0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.069 -4.378 1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.463 -5.826 1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.687 -5.849 2.848 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.640 -5.077 5.130 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.806 -4.205 6.292 1.00 0.00 C ATOM 1077 C ASP A 72 -6.302 -2.811 5.901 1.00 0.00 C ATOM 1078 O ASP A 72 -5.922 -2.275 4.860 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.478 -4.094 7.040 1.00 0.00 C ATOM 1080 CG ASP A 72 -4.564 -3.213 8.270 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -4.682 -1.980 8.111 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -4.515 -3.757 9.394 1.00 0.00 O ATOM 0 H ASP A 72 -4.742 -4.975 4.657 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.563 -4.650 6.937 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.149 -5.090 7.336 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.720 -3.695 6.366 1.00 0.00 H new ATOM 1087 N PRO A 73 -7.164 -2.205 6.745 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.719 -0.869 6.500 1.00 0.00 C ATOM 1089 C PRO A 73 -6.658 0.142 6.067 1.00 0.00 C ATOM 1090 O PRO A 73 -6.910 0.997 5.222 1.00 0.00 O ATOM 1091 CB PRO A 73 -8.302 -0.484 7.853 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.695 -1.781 8.471 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.669 -2.782 8.007 1.00 0.00 C ATOM 0 HA PRO A 73 -8.445 -0.873 5.687 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.570 0.042 8.466 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.160 0.179 7.742 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.707 -1.709 9.559 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.697 -2.075 8.160 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.871 -2.906 8.739 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.112 -3.765 7.849 1.00 0.00 H new ATOM 1101 N MET A 74 -5.467 0.040 6.645 1.00 0.00 N ATOM 1102 CA MET A 74 -4.384 0.946 6.299 1.00 0.00 C ATOM 1103 C MET A 74 -4.116 0.871 4.798 1.00 0.00 C ATOM 1104 O MET A 74 -3.947 1.882 4.121 1.00 0.00 O ATOM 1105 CB MET A 74 -3.134 0.605 7.129 1.00 0.00 C ATOM 1106 CG MET A 74 -1.806 0.771 6.401 1.00 0.00 C ATOM 1107 SD MET A 74 -0.496 1.377 7.483 1.00 0.00 S ATOM 1108 CE MET A 74 -1.076 3.038 7.818 1.00 0.00 C ATOM 0 H MET A 74 -5.230 -0.657 7.351 1.00 0.00 H new ATOM 0 HA MET A 74 -4.663 1.973 6.535 1.00 0.00 H new ATOM 0 HB2 MET A 74 -3.124 1.236 8.017 1.00 0.00 H new ATOM 0 HB3 MET A 74 -3.216 -0.426 7.472 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.507 -0.187 5.975 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.935 1.464 5.569 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.226 3.682 8.041 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.604 3.422 6.945 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.752 3.022 8.673 1.00 0.00 H new ATOM 1118 N SER A 75 -4.113 -0.337 4.274 1.00 0.00 N ATOM 1119 CA SER A 75 -3.903 -0.529 2.853 1.00 0.00 C ATOM 1120 C SER A 75 -5.168 -0.152 2.088 1.00 0.00 C ATOM 1121 O SER A 75 -5.103 0.329 0.959 1.00 0.00 O ATOM 1122 CB SER A 75 -3.523 -1.981 2.560 1.00 0.00 C ATOM 1123 OG SER A 75 -2.765 -2.080 1.366 1.00 0.00 O ATOM 0 H SER A 75 -4.253 -1.196 4.806 1.00 0.00 H new ATOM 0 HA SER A 75 -3.085 0.114 2.529 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.948 -2.385 3.394 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.426 -2.586 2.472 1.00 0.00 H new ATOM 0 HG SER A 75 -2.534 -3.018 1.202 1.00 0.00 H new ATOM 1129 N LEU A 76 -6.324 -0.378 2.718 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.616 -0.076 2.103 1.00 0.00 C ATOM 1131 C LEU A 76 -7.608 1.282 1.410 1.00 0.00 C ATOM 1132 O LEU A 76 -8.097 1.415 0.292 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.727 -0.147 3.157 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.822 0.919 3.062 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -11.041 0.465 3.828 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -9.325 2.240 3.618 1.00 0.00 C ATOM 0 H LEU A 76 -6.390 -0.771 3.657 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.809 -0.825 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.198 -1.128 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.268 -0.079 4.143 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.085 1.060 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.819 1.226 3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.409 -0.470 3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.777 0.311 4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.115 2.987 3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.045 2.112 4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.457 2.571 3.048 1.00 0.00 H new ATOM 1148 N GLN A 77 -7.061 2.285 2.081 1.00 0.00 N ATOM 1149 CA GLN A 77 -7.007 3.627 1.521 1.00 0.00 C ATOM 1150 C GLN A 77 -5.842 3.766 0.540 1.00 0.00 C ATOM 1151 O GLN A 77 -5.833 4.669 -0.295 1.00 0.00 O ATOM 1152 CB GLN A 77 -6.951 4.686 2.639 1.00 0.00 C ATOM 1153 CG GLN A 77 -5.599 5.364 2.839 1.00 0.00 C ATOM 1154 CD GLN A 77 -5.005 5.053 4.192 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -4.526 5.942 4.898 1.00 0.00 O ATOM 1156 NE2 GLN A 77 -5.034 3.781 4.558 1.00 0.00 N ATOM 0 H GLN A 77 -6.650 2.196 3.010 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.923 3.800 0.956 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.694 5.454 2.425 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.242 4.214 3.577 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.912 5.039 2.058 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.715 6.443 2.733 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.442 3.081 3.938 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.649 3.501 5.460 1.00 0.00 H new ATOM 1165 N TYR A 78 -4.863 2.868 0.645 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.707 2.900 -0.240 1.00 0.00 C ATOM 1167 C TYR A 78 -4.005 2.198 -1.565 1.00 0.00 C ATOM 1168 O TYR A 78 -3.570 2.642 -2.628 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.508 2.219 0.421 1.00 0.00 C ATOM 1170 CG TYR A 78 -1.850 3.032 1.511 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.594 3.565 2.553 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.478 3.248 1.507 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -1.991 4.294 3.560 1.00 0.00 C ATOM 1174 CE2 TYR A 78 0.132 3.978 2.509 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.629 4.497 3.533 1.00 0.00 C ATOM 1176 OH TYR A 78 -0.025 5.222 4.535 1.00 0.00 O ATOM 0 H TYR A 78 -4.850 2.114 1.332 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.476 3.947 -0.436 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.833 1.267 0.841 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.766 1.993 -0.345 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.662 3.408 2.578 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.122 2.839 0.708 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.585 4.703 4.364 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.199 4.141 2.489 1.00 0.00 H new ATOM 0 HH TYR A 78 0.939 5.271 4.367 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.719 1.079 -1.484 1.00 0.00 N ATOM 1187 CA LEU A 79 -5.046 0.281 -2.668 1.00 0.00 C ATOM 1188 C LEU A 79 -6.366 0.682 -3.330 1.00 0.00 C ATOM 1189 O LEU A 79 -6.637 0.287 -4.460 1.00 0.00 O ATOM 1190 CB LEU A 79 -5.007 -1.230 -2.353 1.00 0.00 C ATOM 1191 CG LEU A 79 -6.043 -1.815 -1.375 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.390 -2.108 -0.044 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -7.245 -0.908 -1.177 1.00 0.00 C ATOM 0 H LEU A 79 -5.084 0.701 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.269 0.498 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.106 -1.766 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.017 -1.459 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.413 -2.739 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.130 -2.521 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.584 -2.828 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.984 -1.186 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.940 -1.373 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.915 0.051 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.743 -0.750 -2.134 1.00 0.00 H new ATOM 1205 N ILE A 80 -7.203 1.422 -2.609 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.529 1.832 -3.105 1.00 0.00 C ATOM 1207 C ILE A 80 -8.685 1.697 -4.625 1.00 0.00 C ATOM 1208 O ILE A 80 -7.927 2.269 -5.407 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.856 3.292 -2.726 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -7.997 4.265 -3.530 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.655 3.520 -1.243 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -6.515 4.038 -3.358 1.00 0.00 C ATOM 0 H ILE A 80 -6.991 1.757 -1.669 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.223 1.145 -2.621 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.904 3.474 -2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.251 4.175 -4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.238 5.285 -3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.891 4.556 -0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.311 2.856 -0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.618 3.313 -0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.964 4.763 -3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.248 4.157 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.261 3.030 -3.685 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.708 0.937 -5.004 1.00 0.00 N ATOM 1225 CA GLY A 81 -10.050 0.697 -6.399 1.00 0.00 C ATOM 1226 C GLY A 81 -8.878 0.678 -7.370 1.00 0.00 C ATOM 1227 O GLY A 81 -9.035 1.060 -8.530 1.00 0.00 O ATOM 0 H GLY A 81 -10.328 0.467 -4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.571 -0.258 -6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.752 1.467 -6.720 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.716 0.220 -6.923 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.569 0.154 -7.814 1.00 0.00 C ATOM 1233 C GLY A 82 -6.534 -1.152 -8.588 1.00 0.00 C ATOM 1234 O GLY A 82 -7.578 -1.751 -8.846 1.00 0.00 O ATOM 0 H GLY A 82 -7.545 -0.104 -5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.602 0.990 -8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.652 0.259 -7.235 1.00 0.00 H new ATOM 1238 N THR A 83 -5.337 -1.605 -8.951 1.00 0.00 N ATOM 1239 CA THR A 83 -5.186 -2.858 -9.688 1.00 0.00 C ATOM 1240 C THR A 83 -3.849 -3.518 -9.362 1.00 0.00 C ATOM 1241 O THR A 83 -2.802 -2.877 -9.424 1.00 0.00 O ATOM 1242 CB THR A 83 -5.298 -2.626 -11.193 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.625 -2.289 -11.552 1.00 0.00 O ATOM 1244 CG2 THR A 83 -4.892 -3.836 -12.006 1.00 0.00 C ATOM 0 H THR A 83 -4.460 -1.126 -8.748 1.00 0.00 H new ATOM 0 HA THR A 83 -5.992 -3.523 -9.379 1.00 0.00 H new ATOM 0 HB THR A 83 -4.614 -1.807 -11.417 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.172 -2.207 -10.743 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.992 -3.611 -13.068 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.856 -4.091 -11.786 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.535 -4.678 -11.751 1.00 0.00 H new ATOM 1252 N VAL A 84 -3.889 -4.805 -9.025 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.669 -5.540 -8.698 1.00 0.00 C ATOM 1254 C VAL A 84 -2.495 -6.760 -9.588 1.00 0.00 C ATOM 1255 O VAL A 84 -3.466 -7.351 -10.058 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.621 -5.992 -7.209 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.882 -5.606 -6.456 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.363 -7.488 -7.086 1.00 0.00 C ATOM 0 H VAL A 84 -4.745 -5.357 -8.971 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.851 -4.841 -8.873 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.785 -5.463 -6.750 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.805 -5.941 -5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.002 -4.523 -6.479 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.745 -6.077 -6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.336 -7.767 -6.033 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.160 -8.037 -7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.408 -7.732 -7.550 1.00 0.00 H new ATOM 1268 N ASP A 85 -1.242 -7.146 -9.784 1.00 0.00 N ATOM 1269 CA ASP A 85 -0.918 -8.316 -10.582 1.00 0.00 C ATOM 1270 C ASP A 85 0.385 -8.942 -10.105 1.00 0.00 C ATOM 1271 O ASP A 85 1.318 -8.238 -9.717 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.829 -7.964 -12.066 1.00 0.00 C ATOM 1273 CG ASP A 85 -0.205 -6.601 -12.308 1.00 0.00 C ATOM 1274 OD1 ASP A 85 -0.816 -5.589 -11.908 1.00 0.00 O ATOM 1275 OD2 ASP A 85 0.895 -6.549 -12.897 1.00 0.00 O ATOM 0 H ASP A 85 -0.431 -6.662 -9.399 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.721 -9.042 -10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.242 -8.724 -12.581 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.828 -7.984 -12.501 1.00 0.00 H new ATOM 1280 N TYR A 86 0.442 -10.265 -10.128 1.00 0.00 N ATOM 1281 CA TYR A 86 1.626 -10.985 -9.692 1.00 0.00 C ATOM 1282 C TYR A 86 2.235 -11.775 -10.839 1.00 0.00 C ATOM 1283 O TYR A 86 1.523 -12.356 -11.657 1.00 0.00 O ATOM 1284 CB TYR A 86 1.260 -11.929 -8.552 1.00 0.00 C ATOM 1285 CG TYR A 86 2.097 -11.748 -7.312 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.481 -11.751 -7.378 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.497 -11.582 -6.072 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.250 -11.596 -6.241 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.255 -11.424 -4.930 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.632 -11.431 -5.019 1.00 0.00 C ATOM 1291 OH TYR A 86 4.393 -11.276 -3.883 1.00 0.00 O ATOM 0 H TYR A 86 -0.321 -10.862 -10.445 1.00 0.00 H new ATOM 0 HA TYR A 86 2.363 -10.260 -9.346 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.211 -11.781 -8.294 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.361 -12.957 -8.899 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.967 -11.877 -8.334 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.419 -11.576 -6.000 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.328 -11.604 -6.308 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.773 -11.296 -3.972 1.00 0.00 H new ATOM 0 HH TYR A 86 3.804 -11.170 -3.107 1.00 0.00 H new ATOM 1301 N THR A 87 3.557 -11.803 -10.885 1.00 0.00 N ATOM 1302 CA THR A 87 4.264 -12.534 -11.924 1.00 0.00 C ATOM 1303 C THR A 87 5.608 -13.037 -11.413 1.00 0.00 C ATOM 1304 O THR A 87 6.624 -12.352 -11.530 1.00 0.00 O ATOM 1305 CB THR A 87 4.467 -11.654 -13.156 1.00 0.00 C ATOM 1306 OG1 THR A 87 3.224 -11.192 -13.654 1.00 0.00 O ATOM 1307 CG2 THR A 87 5.180 -12.363 -14.288 1.00 0.00 C ATOM 0 H THR A 87 4.162 -11.328 -10.215 1.00 0.00 H new ATOM 0 HA THR A 87 3.656 -13.394 -12.204 1.00 0.00 H new ATOM 0 HB THR A 87 5.089 -10.825 -12.818 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.376 -10.629 -14.442 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.291 -11.681 -15.131 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.165 -12.688 -13.951 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.598 -13.231 -14.598 1.00 0.00 H new ATOM 1413 N PHE A 95 5.937 -8.127 -7.499 1.00 0.00 N ATOM 1414 CA PHE A 95 4.572 -7.686 -7.248 1.00 0.00 C ATOM 1415 C PHE A 95 4.379 -6.232 -7.660 1.00 0.00 C ATOM 1416 O PHE A 95 5.156 -5.359 -7.272 1.00 0.00 O ATOM 1417 CB PHE A 95 4.227 -7.859 -5.769 1.00 0.00 C ATOM 1418 CG PHE A 95 2.753 -7.851 -5.493 1.00 0.00 C ATOM 1419 CD1 PHE A 95 1.878 -8.548 -6.312 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.241 -7.143 -4.417 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.522 -8.538 -6.062 1.00 0.00 C ATOM 1422 CE2 PHE A 95 0.884 -7.130 -4.164 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.024 -7.828 -4.988 1.00 0.00 C ATOM 0 HA PHE A 95 3.903 -8.302 -7.849 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.650 -8.798 -5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.700 -7.060 -5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.262 -9.104 -7.154 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.911 -6.596 -3.770 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.150 -9.085 -6.706 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.496 -6.575 -3.323 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.038 -7.819 -4.792 1.00 0.00 H new ATOM 1433 N THR A 96 3.339 -5.973 -8.449 1.00 0.00 N ATOM 1434 CA THR A 96 3.057 -4.616 -8.906 1.00 0.00 C ATOM 1435 C THR A 96 1.575 -4.275 -8.785 1.00 0.00 C ATOM 1436 O THR A 96 0.712 -5.010 -9.264 1.00 0.00 O ATOM 1437 CB THR A 96 3.503 -4.432 -10.356 1.00 0.00 C ATOM 1438 OG1 THR A 96 4.499 -5.380 -10.701 1.00 0.00 O ATOM 1439 CG2 THR A 96 4.060 -3.054 -10.640 1.00 0.00 C ATOM 0 H THR A 96 2.683 -6.679 -8.783 1.00 0.00 H new ATOM 0 HA THR A 96 3.619 -3.939 -8.263 1.00 0.00 H new ATOM 0 HB THR A 96 2.603 -4.572 -10.954 1.00 0.00 H new ATOM 0 HG1 THR A 96 4.769 -5.246 -11.633 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.358 -2.990 -11.687 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.297 -2.303 -10.434 1.00 0.00 H new ATOM 0 HG23 THR A 96 4.927 -2.874 -10.005 1.00 0.00 H new ATOM 1447 N VAL A 97 1.295 -3.142 -8.151 1.00 0.00 N ATOM 1448 CA VAL A 97 -0.076 -2.671 -7.971 1.00 0.00 C ATOM 1449 C VAL A 97 -0.215 -1.247 -8.500 1.00 0.00 C ATOM 1450 O VAL A 97 0.777 -0.533 -8.642 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.511 -2.709 -6.486 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -2.021 -2.834 -6.369 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.169 -3.850 -5.744 1.00 0.00 C ATOM 0 H VAL A 97 2.004 -2.528 -7.750 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.725 -3.343 -8.532 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.202 -1.770 -6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.304 -2.859 -5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.495 -1.980 -6.852 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.349 -3.753 -6.854 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.156 -3.852 -4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.100 -4.798 -6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.250 -3.718 -5.787 1.00 0.00 H new ATOM 1463 N ASN A 98 -1.442 -0.837 -8.806 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.681 0.503 -9.334 1.00 0.00 C ATOM 1465 C ASN A 98 -2.901 1.150 -8.686 1.00 0.00 C ATOM 1466 O ASN A 98 -3.981 0.563 -8.643 1.00 0.00 O ATOM 1467 CB ASN A 98 -1.864 0.444 -10.851 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.661 -0.156 -11.552 1.00 0.00 C ATOM 1469 OD1 ASN A 98 0.463 0.322 -11.396 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -0.890 -1.208 -12.329 1.00 0.00 N ATOM 0 H ASN A 98 -2.281 -1.408 -8.699 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.811 1.116 -9.097 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.750 -0.146 -11.085 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.040 1.450 -11.233 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.118 -1.653 -12.825 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.838 -1.571 -12.429 1.00 0.00 H new