USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=22 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 -160:sc= -0.0282 (180deg=-0.236) USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 61 THR OG1 : rot 166:sc= 1.3 USER MOD Set 2.2: A 68 GLN : amide:sc= -3.37! C(o=-2.1!,f=-4.9!) USER MOD Set 3.1: A 18 LYS NZ :NH3+ -127:sc= -0.358 (180deg=-1.65!) 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= 0.371 USER MOD Single : A 17 ASN : amide:sc= 0.226 K(o=0.23,f=-0.39) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 88:sc= -1.23 USER MOD Single : A 24 SER OG : rot 107:sc= 0.0807 USER MOD Single : A 28 ASN :FLIP amide:sc= -12.5! C(o=-16!,f=-13!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -120:sc= 0.165 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.28 USER MOD Single : A 46 GLN : amide:sc= -0.0532 X(o=-0.053,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 0.196 (180deg=0.0925) USER MOD Single : A 65 SER OG : rot -162:sc= -0.107 USER MOD Single : A 75 SER OG : rot 180:sc= -0.424 USER MOD Single : A 77 GLN :FLIP amide:sc= -4.11! C(o=-6.6!,f=-4.1!) USER MOD Single : A 83 THR OG1 : rot 12:sc= 0.324 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0241 USER MOD Single : A 98 ASN : amide:sc= -0.47 K(o=-0.47,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.490 -4.822 -2.310 1.00 0.00 N ATOM 91 CA VAL A 7 -14.508 -3.523 -1.655 1.00 0.00 C ATOM 92 C VAL A 7 -13.437 -2.564 -2.185 1.00 0.00 C ATOM 93 O VAL A 7 -13.766 -1.471 -2.647 1.00 0.00 O ATOM 94 CB VAL A 7 -14.358 -3.646 -0.120 1.00 0.00 C ATOM 95 CG1 VAL A 7 -14.983 -2.443 0.567 1.00 0.00 C ATOM 96 CG2 VAL A 7 -14.986 -4.937 0.398 1.00 0.00 C ATOM 0 HA VAL A 7 -15.486 -3.104 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.293 -3.675 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -14.871 -2.542 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.485 -1.533 0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.042 -2.390 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.863 -4.993 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.048 -4.949 0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.496 -5.792 -0.067 1.00 0.00 H new ATOM 106 N PRO A 8 -12.139 -2.913 -2.079 1.00 0.00 N ATOM 107 CA PRO A 8 -11.048 -2.052 -2.488 1.00 0.00 C ATOM 108 C PRO A 8 -10.284 -2.547 -3.733 1.00 0.00 C ATOM 109 O PRO A 8 -10.883 -2.860 -4.762 1.00 0.00 O ATOM 110 CB PRO A 8 -10.195 -2.171 -1.231 1.00 0.00 C ATOM 111 CG PRO A 8 -10.264 -3.636 -0.915 1.00 0.00 C ATOM 112 CD PRO A 8 -11.581 -4.134 -1.488 1.00 0.00 C ATOM 0 HA PRO A 8 -11.353 -1.050 -2.791 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.170 -1.844 -1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.589 -1.563 -0.417 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.422 -4.169 -1.356 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.220 -3.804 0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.432 -4.916 -2.232 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.231 -4.548 -0.717 1.00 0.00 H new ATOM 120 N LEU A 9 -8.954 -2.587 -3.619 1.00 0.00 N ATOM 121 CA LEU A 9 -8.059 -3.003 -4.696 1.00 0.00 C ATOM 122 C LEU A 9 -8.321 -4.432 -5.169 1.00 0.00 C ATOM 123 O LEU A 9 -8.309 -5.377 -4.379 1.00 0.00 O ATOM 124 CB LEU A 9 -6.610 -2.894 -4.189 1.00 0.00 C ATOM 125 CG LEU A 9 -5.478 -3.033 -5.229 1.00 0.00 C ATOM 126 CD1 LEU A 9 -5.981 -3.579 -6.548 1.00 0.00 C ATOM 127 CD2 LEU A 9 -4.781 -1.702 -5.454 1.00 0.00 C ATOM 0 H LEU A 9 -8.464 -2.327 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.236 -2.349 -5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.498 -1.928 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.462 -3.659 -3.427 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.762 -3.747 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.150 -3.660 -7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.420 -4.564 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.736 -2.907 -6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.988 -1.827 -6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.502 -0.970 -5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.352 -1.353 -4.515 1.00 0.00 H new ATOM 139 N THR A 10 -8.499 -4.581 -6.482 1.00 0.00 N ATOM 140 CA THR A 10 -8.694 -5.887 -7.092 1.00 0.00 C ATOM 141 C THR A 10 -7.391 -6.331 -7.752 1.00 0.00 C ATOM 142 O THR A 10 -6.850 -5.628 -8.606 1.00 0.00 O ATOM 143 CB THR A 10 -9.807 -5.840 -8.136 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.067 -5.624 -7.523 1.00 0.00 O ATOM 145 CG2 THR A 10 -9.903 -7.110 -8.955 1.00 0.00 C ATOM 0 H THR A 10 -8.511 -3.805 -7.143 1.00 0.00 H new ATOM 0 HA THR A 10 -8.982 -6.597 -6.317 1.00 0.00 H new ATOM 0 HB THR A 10 -9.550 -5.014 -8.799 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.765 -5.596 -8.211 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.712 -7.016 -9.679 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.963 -7.276 -9.481 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.103 -7.954 -8.295 1.00 0.00 H new ATOM 153 N PHE A 11 -6.884 -7.486 -7.348 1.00 0.00 N ATOM 154 CA PHE A 11 -5.636 -8.004 -7.898 1.00 0.00 C ATOM 155 C PHE A 11 -5.887 -8.838 -9.155 1.00 0.00 C ATOM 156 O PHE A 11 -7.027 -8.991 -9.592 1.00 0.00 O ATOM 157 CB PHE A 11 -4.907 -8.826 -6.840 1.00 0.00 C ATOM 158 CG PHE A 11 -5.537 -10.148 -6.579 1.00 0.00 C ATOM 159 CD1 PHE A 11 -6.583 -10.278 -5.685 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.078 -11.261 -7.238 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.161 -11.511 -5.458 1.00 0.00 C ATOM 162 CE2 PHE A 11 -5.645 -12.491 -7.023 1.00 0.00 C ATOM 163 CZ PHE A 11 -6.689 -12.621 -6.132 1.00 0.00 C ATOM 0 H PHE A 11 -7.315 -8.083 -6.642 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.009 -7.160 -8.186 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.876 -8.980 -7.158 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.873 -8.259 -5.910 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.951 -9.409 -5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.259 -11.167 -7.936 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.977 -11.607 -4.758 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.274 -13.357 -7.551 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.137 -13.589 -5.961 1.00 0.00 H new ATOM 173 N THR A 12 -4.810 -9.362 -9.739 1.00 0.00 N ATOM 174 CA THR A 12 -4.914 -10.169 -10.958 1.00 0.00 C ATOM 175 C THR A 12 -5.274 -11.622 -10.640 1.00 0.00 C ATOM 176 O THR A 12 -5.790 -11.922 -9.573 1.00 0.00 O ATOM 177 CB THR A 12 -3.600 -10.114 -11.745 1.00 0.00 C ATOM 178 OG1 THR A 12 -3.804 -10.523 -13.089 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.509 -10.984 -11.157 1.00 0.00 C ATOM 0 H THR A 12 -3.859 -9.244 -9.391 1.00 0.00 H new ATOM 0 HA THR A 12 -5.715 -9.749 -11.566 1.00 0.00 H new ATOM 0 HB THR A 12 -3.276 -9.075 -11.693 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.955 -10.480 -13.577 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.608 -10.897 -11.764 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.294 -10.659 -10.139 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.839 -12.023 -11.145 1.00 0.00 H new ATOM 187 N ASP A 13 -4.996 -12.521 -11.579 1.00 0.00 N ATOM 188 CA ASP A 13 -5.281 -13.934 -11.388 1.00 0.00 C ATOM 189 C ASP A 13 -4.080 -14.647 -10.783 1.00 0.00 C ATOM 190 O ASP A 13 -4.217 -15.471 -9.882 1.00 0.00 O ATOM 191 CB ASP A 13 -5.648 -14.582 -12.723 1.00 0.00 C ATOM 192 CG ASP A 13 -6.190 -15.990 -12.558 1.00 0.00 C ATOM 193 OD1 ASP A 13 -5.560 -16.780 -11.826 1.00 0.00 O ATOM 194 OD2 ASP A 13 -7.243 -16.294 -13.155 1.00 0.00 O ATOM 0 H ASP A 13 -4.574 -12.293 -12.479 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.123 -14.024 -10.702 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.392 -13.967 -13.229 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.767 -14.608 -13.364 1.00 0.00 H new ATOM 199 N ALA A 14 -2.903 -14.329 -11.302 1.00 0.00 N ATOM 200 CA ALA A 14 -1.667 -14.936 -10.834 1.00 0.00 C ATOM 201 C ALA A 14 -1.436 -14.653 -9.362 1.00 0.00 C ATOM 202 O ALA A 14 -1.031 -15.530 -8.604 1.00 0.00 O ATOM 203 CB ALA A 14 -0.491 -14.447 -11.663 1.00 0.00 C ATOM 0 H ALA A 14 -2.779 -13.649 -12.052 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.756 -16.016 -10.954 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.427 -14.910 -11.301 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.645 -14.716 -12.708 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.410 -13.364 -11.576 1.00 0.00 H new ATOM 209 N ALA A 15 -1.713 -13.423 -8.937 1.00 0.00 N ATOM 210 CA ALA A 15 -1.546 -13.075 -7.534 1.00 0.00 C ATOM 211 C ALA A 15 -2.311 -14.083 -6.687 1.00 0.00 C ATOM 212 O ALA A 15 -1.898 -14.433 -5.581 1.00 0.00 O ATOM 213 CB ALA A 15 -2.001 -11.648 -7.267 1.00 0.00 C ATOM 0 H ALA A 15 -2.048 -12.666 -9.533 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.490 -13.117 -7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.865 -11.414 -6.211 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.410 -10.959 -7.870 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.054 -11.547 -7.528 1.00 0.00 H new ATOM 219 N ALA A 16 -3.402 -14.590 -7.259 1.00 0.00 N ATOM 220 CA ALA A 16 -4.202 -15.611 -6.607 1.00 0.00 C ATOM 221 C ALA A 16 -3.425 -16.909 -6.624 1.00 0.00 C ATOM 222 O ALA A 16 -3.354 -17.633 -5.632 1.00 0.00 O ATOM 223 CB ALA A 16 -5.512 -15.800 -7.338 1.00 0.00 C ATOM 0 H ALA A 16 -3.748 -14.306 -8.175 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.417 -15.307 -5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.101 -16.569 -6.837 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.067 -14.862 -7.339 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.315 -16.106 -8.365 1.00 0.00 H new ATOM 229 N ASN A 17 -2.839 -17.181 -7.787 1.00 0.00 N ATOM 230 CA ASN A 17 -2.046 -18.374 -8.004 1.00 0.00 C ATOM 231 C ASN A 17 -0.923 -18.464 -6.975 1.00 0.00 C ATOM 232 O ASN A 17 -0.734 -19.505 -6.347 1.00 0.00 O ATOM 233 CB ASN A 17 -1.458 -18.360 -9.418 1.00 0.00 C ATOM 234 CG ASN A 17 -2.463 -18.756 -10.483 1.00 0.00 C ATOM 235 OD1 ASN A 17 -2.299 -19.762 -11.166 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.510 -17.947 -10.623 1.00 0.00 N ATOM 0 H ASN A 17 -2.905 -16.574 -8.604 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.691 -19.245 -7.892 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.079 -17.362 -9.638 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.607 -19.040 -9.458 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.222 -18.152 -11.324 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.600 -17.122 -10.030 1.00 0.00 H new ATOM 243 N LYS A 18 -0.191 -17.374 -6.808 1.00 0.00 N ATOM 244 CA LYS A 18 0.906 -17.330 -5.850 1.00 0.00 C ATOM 245 C LYS A 18 0.422 -17.771 -4.471 1.00 0.00 C ATOM 246 O LYS A 18 1.176 -18.358 -3.697 1.00 0.00 O ATOM 247 CB LYS A 18 1.488 -15.914 -5.785 1.00 0.00 C ATOM 248 CG LYS A 18 2.362 -15.655 -4.568 1.00 0.00 C ATOM 249 CD LYS A 18 1.528 -15.245 -3.367 1.00 0.00 C ATOM 250 CE LYS A 18 2.205 -14.148 -2.560 1.00 0.00 C ATOM 251 NZ LYS A 18 3.565 -14.549 -2.105 1.00 0.00 N ATOM 0 H LYS A 18 -0.336 -16.506 -7.324 1.00 0.00 H new ATOM 0 HA LYS A 18 1.688 -18.016 -6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.075 -15.733 -6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.668 -15.196 -5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.931 -16.553 -4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.084 -14.871 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.551 -14.899 -3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.357 -16.113 -2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.277 -13.244 -3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.590 -13.903 -1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.641 -14.414 -1.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.727 -15.550 -2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.278 -13.964 -2.585 1.00 0.00 H new ATOM 265 N VAL A 19 -0.846 -17.501 -4.189 1.00 0.00 N ATOM 266 CA VAL A 19 -1.445 -17.871 -2.918 1.00 0.00 C ATOM 267 C VAL A 19 -1.907 -19.320 -2.928 1.00 0.00 C ATOM 268 O VAL A 19 -1.330 -20.165 -2.251 1.00 0.00 O ATOM 269 CB VAL A 19 -2.644 -16.956 -2.590 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.272 -17.331 -1.253 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.218 -15.493 -2.600 1.00 0.00 C ATOM 0 H VAL A 19 -1.481 -17.024 -4.829 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.679 -17.750 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.400 -17.098 -3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.114 -16.670 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.622 -18.363 -1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.530 -17.229 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.076 -14.863 -2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.439 -15.336 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.834 -15.233 -3.586 1.00 0.00 H new ATOM 281 N LYS A 20 -2.951 -19.595 -3.704 1.00 0.00 N ATOM 282 CA LYS A 20 -3.521 -20.937 -3.819 1.00 0.00 C ATOM 283 C LYS A 20 -2.480 -21.986 -4.178 1.00 0.00 C ATOM 284 O LYS A 20 -2.709 -23.184 -3.997 1.00 0.00 O ATOM 285 CB LYS A 20 -4.605 -20.943 -4.889 1.00 0.00 C ATOM 286 CG LYS A 20 -4.226 -20.171 -6.141 1.00 0.00 C ATOM 287 CD LYS A 20 -4.320 -21.023 -7.388 1.00 0.00 C ATOM 288 CE LYS A 20 -3.090 -21.901 -7.574 1.00 0.00 C ATOM 289 NZ LYS A 20 -3.447 -23.280 -7.977 1.00 0.00 N ATOM 0 H LYS A 20 -3.427 -18.894 -4.272 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.933 -21.191 -2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.829 -21.974 -5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.518 -20.518 -4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.880 -19.305 -6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.209 -19.791 -6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.209 -21.652 -7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.440 -20.379 -8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.441 -21.459 -8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.522 -21.931 -6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.580 -23.843 -8.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.045 -23.712 -7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.966 -23.255 -8.878 1.00 0.00 H new ATOM 303 N SER A 21 -1.361 -21.549 -4.735 1.00 0.00 N ATOM 304 CA SER A 21 -0.328 -22.478 -5.164 1.00 0.00 C ATOM 305 C SER A 21 0.623 -22.874 -4.045 1.00 0.00 C ATOM 306 O SER A 21 0.933 -24.056 -3.874 1.00 0.00 O ATOM 307 CB SER A 21 0.468 -21.899 -6.334 1.00 0.00 C ATOM 308 OG SER A 21 -0.363 -21.683 -7.462 1.00 0.00 O ATOM 0 H SER A 21 -1.146 -20.566 -4.899 1.00 0.00 H new ATOM 0 HA SER A 21 -0.848 -23.382 -5.481 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.929 -20.958 -6.033 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.277 -22.580 -6.600 1.00 0.00 H new ATOM 0 HG SER A 21 -0.771 -20.794 -7.403 1.00 0.00 H new ATOM 314 N LEU A 22 1.097 -21.896 -3.290 1.00 0.00 N ATOM 315 CA LEU A 22 2.025 -22.178 -2.206 1.00 0.00 C ATOM 316 C LEU A 22 1.273 -22.601 -0.954 1.00 0.00 C ATOM 317 O LEU A 22 1.808 -23.334 -0.121 1.00 0.00 O ATOM 318 CB LEU A 22 2.956 -20.975 -1.951 1.00 0.00 C ATOM 319 CG LEU A 22 2.647 -20.081 -0.742 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.301 -19.406 -0.908 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.707 -20.862 0.564 1.00 0.00 C ATOM 0 H LEU A 22 0.858 -20.911 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 22 2.661 -23.014 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.972 -21.354 -1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.947 -20.349 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 22 3.416 -19.310 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.100 -18.777 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.311 -18.791 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.522 -20.164 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.483 -20.196 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.976 -21.670 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.705 -21.280 0.692 1.00 0.00 H new ATOM 333 N ILE A 23 0.025 -22.175 -0.838 1.00 0.00 N ATOM 334 CA ILE A 23 -0.779 -22.534 0.306 1.00 0.00 C ATOM 335 C ILE A 23 -1.195 -23.993 0.186 1.00 0.00 C ATOM 336 O ILE A 23 -1.029 -24.767 1.124 1.00 0.00 O ATOM 337 CB ILE A 23 -2.018 -21.651 0.423 1.00 0.00 C ATOM 338 CG1 ILE A 23 -2.844 -21.723 -0.850 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.610 -20.220 0.699 1.00 0.00 C ATOM 340 CD1 ILE A 23 -3.979 -22.725 -0.786 1.00 0.00 C ATOM 0 H ILE A 23 -0.446 -21.583 -1.522 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.181 -22.385 1.205 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.627 -22.013 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.255 -20.736 -1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.190 -21.982 -1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.501 -19.597 0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.049 -20.175 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.986 -19.856 -0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.523 -22.719 -1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.575 -23.721 -0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.657 -22.456 0.024 1.00 0.00 H new ATOM 352 N SER A 24 -1.686 -24.366 -0.980 1.00 0.00 N ATOM 353 CA SER A 24 -2.073 -25.732 -1.233 1.00 0.00 C ATOM 354 C SER A 24 -0.869 -26.631 -1.042 1.00 0.00 C ATOM 355 O SER A 24 -1.001 -27.829 -0.754 1.00 0.00 O ATOM 356 CB SER A 24 -2.605 -25.878 -2.658 1.00 0.00 C ATOM 357 OG SER A 24 -3.989 -25.581 -2.719 1.00 0.00 O ATOM 0 H SER A 24 -1.825 -23.734 -1.769 1.00 0.00 H new ATOM 0 HA SER A 24 -2.862 -26.017 -0.537 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.057 -25.211 -3.324 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.432 -26.894 -3.012 1.00 0.00 H new ATOM 0 HG SER A 24 -4.119 -24.715 -3.159 1.00 0.00 H new ATOM 363 N GLU A 25 0.311 -26.045 -1.192 1.00 0.00 N ATOM 364 CA GLU A 25 1.559 -26.756 -1.018 1.00 0.00 C ATOM 365 C GLU A 25 1.917 -26.850 0.461 1.00 0.00 C ATOM 366 O GLU A 25 2.702 -27.716 0.861 1.00 0.00 O ATOM 367 CB GLU A 25 2.686 -26.057 -1.782 1.00 0.00 C ATOM 368 CG GLU A 25 3.225 -26.872 -2.949 1.00 0.00 C ATOM 369 CD GLU A 25 4.252 -26.112 -3.763 1.00 0.00 C ATOM 370 OE1 GLU A 25 5.192 -25.547 -3.160 1.00 0.00 O ATOM 371 OE2 GLU A 25 4.120 -26.082 -5.003 1.00 0.00 O ATOM 0 H GLU A 25 0.424 -25.062 -1.438 1.00 0.00 H new ATOM 0 HA GLU A 25 1.436 -27.763 -1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.322 -25.100 -2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.502 -25.841 -1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.674 -27.790 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.398 -27.165 -3.596 1.00 0.00 H new ATOM 378 N GLU A 26 1.321 -25.980 1.267 1.00 0.00 N ATOM 379 CA GLU A 26 1.571 -25.991 2.699 1.00 0.00 C ATOM 380 C GLU A 26 0.745 -27.078 3.360 1.00 0.00 C ATOM 381 O GLU A 26 1.020 -27.477 4.492 1.00 0.00 O ATOM 382 CB GLU A 26 1.250 -24.627 3.305 1.00 0.00 C ATOM 383 CG GLU A 26 2.058 -23.494 2.709 1.00 0.00 C ATOM 384 CD GLU A 26 3.038 -22.888 3.689 1.00 0.00 C ATOM 385 OE1 GLU A 26 4.079 -23.512 3.953 1.00 0.00 O ATOM 386 OE2 GLU A 26 2.762 -21.780 4.192 1.00 0.00 O ATOM 0 H GLU A 26 0.666 -25.263 0.954 1.00 0.00 H new ATOM 0 HA GLU A 26 2.626 -26.201 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.189 -24.418 3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.430 -24.665 4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.603 -23.862 1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.379 -22.718 2.355 1.00 0.00 H new ATOM 393 N GLU A 27 -0.288 -27.518 2.651 1.00 0.00 N ATOM 394 CA GLU A 27 -1.188 -28.546 3.155 1.00 0.00 C ATOM 395 C GLU A 27 -2.209 -27.916 4.087 1.00 0.00 C ATOM 396 O GLU A 27 -2.947 -28.609 4.783 1.00 0.00 O ATOM 397 CB GLU A 27 -0.415 -29.653 3.893 1.00 0.00 C ATOM 398 CG GLU A 27 -0.878 -31.050 3.544 1.00 0.00 C ATOM 399 CD GLU A 27 -0.988 -31.952 4.750 1.00 0.00 C ATOM 400 OE1 GLU A 27 -0.153 -31.813 5.669 1.00 0.00 O ATOM 401 OE2 GLU A 27 -1.904 -32.803 4.788 1.00 0.00 O ATOM 0 H GLU A 27 -0.523 -27.176 1.719 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.697 -29.002 2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.646 -29.562 3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.519 -29.503 4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.848 -30.993 3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.182 -31.490 2.830 1.00 0.00 H new ATOM 408 N ASN A 28 -2.262 -26.573 4.092 1.00 0.00 N ATOM 409 CA ASN A 28 -3.218 -25.865 4.932 1.00 0.00 C ATOM 410 C ASN A 28 -4.613 -26.345 4.619 1.00 0.00 C ATOM 411 O ASN A 28 -5.245 -27.035 5.414 1.00 0.00 O ATOM 412 CB ASN A 28 -3.165 -24.354 4.736 1.00 0.00 C ATOM 413 CG ASN A 28 -1.821 -23.838 4.285 1.00 0.00 C ATOM 414 OD1 ASN A 28 -1.762 -23.412 3.037 1.00 0.00 O flip ATOM 415 ND2 ASN A 28 -0.850 -23.834 5.046 1.00 0.00 N flip ATOM 0 H ASN A 28 -1.660 -25.972 3.530 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.953 -26.077 5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.917 -24.067 4.001 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.433 -23.867 5.674 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.950 -24.175 6.002 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.053 -23.490 4.719 1.00 0.00 H new ATOM 422 N THR A 29 -5.101 -25.951 3.433 1.00 0.00 N ATOM 423 CA THR A 29 -6.449 -26.335 2.997 1.00 0.00 C ATOM 424 C THR A 29 -6.985 -25.414 1.905 1.00 0.00 C ATOM 425 O THR A 29 -7.559 -25.877 0.920 1.00 0.00 O ATOM 426 CB THR A 29 -7.410 -26.266 4.188 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.758 -26.257 3.746 1.00 0.00 O ATOM 428 CG2 THR A 29 -7.186 -25.041 5.043 1.00 0.00 C ATOM 0 H THR A 29 -4.588 -25.374 2.767 1.00 0.00 H new ATOM 0 HA THR A 29 -6.382 -27.347 2.598 1.00 0.00 H new ATOM 0 HB THR A 29 -7.209 -27.153 4.789 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.356 -26.214 4.521 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.893 -25.042 5.872 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.169 -25.051 5.434 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.334 -24.145 4.441 1.00 0.00 H new ATOM 436 N ASP A 30 -6.828 -24.108 2.105 1.00 0.00 N ATOM 437 CA ASP A 30 -7.329 -23.113 1.162 1.00 0.00 C ATOM 438 C ASP A 30 -7.155 -21.743 1.785 1.00 0.00 C ATOM 439 O ASP A 30 -8.112 -21.093 2.207 1.00 0.00 O ATOM 440 CB ASP A 30 -8.803 -23.366 0.827 1.00 0.00 C ATOM 441 CG ASP A 30 -9.009 -23.712 -0.632 1.00 0.00 C ATOM 442 OD1 ASP A 30 -8.789 -24.885 -1.000 1.00 0.00 O ATOM 443 OD2 ASP A 30 -9.393 -22.818 -1.412 1.00 0.00 O ATOM 0 H ASP A 30 -6.355 -23.713 2.917 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.769 -23.177 0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.180 -24.179 1.448 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.387 -22.479 1.074 1.00 0.00 H new ATOM 448 N LEU A 31 -5.903 -21.348 1.884 1.00 0.00 N ATOM 449 CA LEU A 31 -5.510 -20.110 2.495 1.00 0.00 C ATOM 450 C LEU A 31 -6.118 -18.881 1.843 1.00 0.00 C ATOM 451 O LEU A 31 -6.469 -18.876 0.663 1.00 0.00 O ATOM 452 CB LEU A 31 -3.996 -20.023 2.452 1.00 0.00 C ATOM 453 CG LEU A 31 -3.322 -19.989 3.804 1.00 0.00 C ATOM 454 CD1 LEU A 31 -3.908 -18.883 4.644 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.480 -21.331 4.511 1.00 0.00 C ATOM 0 H LEU A 31 -5.118 -21.896 1.532 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.885 -20.115 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.613 -20.877 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.714 -19.127 1.899 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.258 -19.798 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.417 -18.866 5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.756 -17.927 4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.976 -19.056 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.989 -21.290 5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.539 -21.547 4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.025 -22.116 3.907 1.00 0.00 H new ATOM 467 N LYS A 32 -6.210 -17.832 2.650 1.00 0.00 N ATOM 468 CA LYS A 32 -6.741 -16.551 2.227 1.00 0.00 C ATOM 469 C LYS A 32 -5.647 -15.494 2.312 1.00 0.00 C ATOM 470 O LYS A 32 -5.111 -15.237 3.391 1.00 0.00 O ATOM 471 CB LYS A 32 -7.914 -16.149 3.121 1.00 0.00 C ATOM 472 CG LYS A 32 -8.939 -17.251 3.332 1.00 0.00 C ATOM 473 CD LYS A 32 -9.537 -17.200 4.732 1.00 0.00 C ATOM 474 CE LYS A 32 -10.041 -15.809 5.078 1.00 0.00 C ATOM 475 NZ LYS A 32 -10.001 -15.553 6.546 1.00 0.00 N ATOM 0 H LYS A 32 -5.914 -17.851 3.626 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.091 -16.632 1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.527 -15.837 4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.411 -15.284 2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.734 -17.156 2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.469 -18.221 3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.359 -17.913 4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.786 -17.506 5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.434 -15.064 4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.063 -15.693 4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.961 -15.348 6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.631 -16.393 7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.383 -14.739 6.740 1.00 0.00 H new ATOM 489 N LEU A 33 -5.307 -14.888 1.183 1.00 0.00 N ATOM 490 CA LEU A 33 -4.271 -13.873 1.157 1.00 0.00 C ATOM 491 C LEU A 33 -4.634 -12.710 2.072 1.00 0.00 C ATOM 492 O LEU A 33 -5.794 -12.311 2.156 1.00 0.00 O ATOM 493 CB LEU A 33 -4.078 -13.375 -0.275 1.00 0.00 C ATOM 494 CG LEU A 33 -2.769 -12.635 -0.556 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.819 -11.222 0.007 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.578 -13.399 0.006 1.00 0.00 C ATOM 0 H LEU A 33 -5.734 -15.083 0.277 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.340 -14.312 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.141 -14.230 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.907 -12.713 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.644 -12.568 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.878 -10.713 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.640 -10.674 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.975 -11.265 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.660 -12.851 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.692 -13.509 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.528 -14.385 -0.456 1.00 0.00 H new ATOM 508 N ARG A 34 -3.630 -12.161 2.745 1.00 0.00 N ATOM 509 CA ARG A 34 -3.837 -11.031 3.640 1.00 0.00 C ATOM 510 C ARG A 34 -2.776 -9.972 3.390 1.00 0.00 C ATOM 511 O ARG A 34 -1.662 -10.049 3.904 1.00 0.00 O ATOM 512 CB ARG A 34 -3.816 -11.482 5.098 1.00 0.00 C ATOM 513 CG ARG A 34 -4.257 -10.403 6.078 1.00 0.00 C ATOM 514 CD ARG A 34 -3.106 -9.495 6.489 1.00 0.00 C ATOM 515 NE ARG A 34 -2.011 -10.236 7.108 1.00 0.00 N ATOM 516 CZ ARG A 34 -2.086 -10.806 8.308 1.00 0.00 C ATOM 517 NH1 ARG A 34 -3.198 -10.716 9.027 1.00 0.00 N ATOM 518 NH2 ARG A 34 -1.043 -11.466 8.794 1.00 0.00 N ATOM 0 H ARG A 34 -2.663 -12.481 2.687 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.818 -10.601 3.438 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.466 -12.350 5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.807 -11.804 5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.047 -9.804 5.625 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.682 -10.872 6.965 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.733 -8.965 5.613 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.472 -8.741 7.186 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.137 -10.322 6.590 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.003 -10.207 8.660 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.248 -11.156 9.946 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.184 -11.536 8.248 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.100 -11.903 9.714 1.00 0.00 H new ATOM 532 N VAL A 35 -3.126 -9.004 2.563 1.00 0.00 N ATOM 533 CA VAL A 35 -2.210 -7.938 2.192 1.00 0.00 C ATOM 534 C VAL A 35 -1.961 -6.946 3.317 1.00 0.00 C ATOM 535 O VAL A 35 -2.805 -6.732 4.187 1.00 0.00 O ATOM 536 CB VAL A 35 -2.753 -7.163 0.978 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.753 -6.131 0.462 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.160 -8.124 -0.119 1.00 0.00 C ATOM 0 H VAL A 35 -4.047 -8.933 2.131 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.265 -8.426 1.954 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.635 -6.611 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.179 -5.608 -0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.531 -5.413 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.834 -6.634 0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.542 -7.562 -0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.295 -8.710 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.937 -8.793 0.253 1.00 0.00 H new ATOM 548 N TYR A 36 -0.792 -6.326 3.253 1.00 0.00 N ATOM 549 CA TYR A 36 -0.384 -5.316 4.216 1.00 0.00 C ATOM 550 C TYR A 36 0.362 -4.212 3.483 1.00 0.00 C ATOM 551 O TYR A 36 0.524 -4.274 2.265 1.00 0.00 O ATOM 552 CB TYR A 36 0.498 -5.917 5.315 1.00 0.00 C ATOM 553 CG TYR A 36 1.195 -7.196 4.913 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.473 -8.365 4.710 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.572 -7.234 4.735 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.104 -9.537 4.342 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.211 -8.402 4.368 1.00 0.00 C ATOM 558 CZ TYR A 36 2.474 -9.551 4.172 1.00 0.00 C ATOM 559 OH TYR A 36 3.106 -10.716 3.804 1.00 0.00 O ATOM 0 H TYR A 36 -0.098 -6.510 2.529 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.272 -4.908 4.699 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.249 -5.182 5.606 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.116 -6.111 6.194 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.599 -8.357 4.842 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.152 -6.336 4.886 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.529 -10.438 4.188 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.283 -8.416 4.235 1.00 0.00 H new ATOM 0 HH TYR A 36 4.070 -10.555 3.726 1.00 0.00 H new ATOM 569 N ILE A 37 0.812 -3.205 4.211 1.00 0.00 N ATOM 570 CA ILE A 37 1.530 -2.104 3.590 1.00 0.00 C ATOM 571 C ILE A 37 3.012 -2.432 3.438 1.00 0.00 C ATOM 572 O ILE A 37 3.719 -2.650 4.422 1.00 0.00 O ATOM 573 CB ILE A 37 1.347 -0.793 4.379 1.00 0.00 C ATOM 574 CG1 ILE A 37 -0.057 -0.236 4.143 1.00 0.00 C ATOM 575 CG2 ILE A 37 2.393 0.234 3.976 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.368 0.008 2.685 1.00 0.00 C ATOM 0 H ILE A 37 0.695 -3.126 5.221 1.00 0.00 H new ATOM 0 HA ILE A 37 1.105 -1.960 2.597 1.00 0.00 H new ATOM 0 HB ILE A 37 1.474 -1.008 5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.789 -0.932 4.552 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.166 0.700 4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.242 1.150 4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.388 -0.161 4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.299 0.450 2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.380 0.403 2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.342 0.727 2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.291 -0.930 2.135 1.00 0.00 H new ATOM 672 N GLN A 46 3.145 -1.824 -4.057 1.00 0.00 N ATOM 673 CA GLN A 46 3.587 -3.202 -3.879 1.00 0.00 C ATOM 674 C GLN A 46 2.726 -3.935 -2.854 1.00 0.00 C ATOM 675 O GLN A 46 1.925 -4.793 -3.213 1.00 0.00 O ATOM 676 CB GLN A 46 5.054 -3.236 -3.464 1.00 0.00 C ATOM 677 CG GLN A 46 5.932 -2.314 -4.292 1.00 0.00 C ATOM 678 CD GLN A 46 7.321 -2.188 -3.718 1.00 0.00 C ATOM 679 OE1 GLN A 46 7.814 -1.088 -3.472 1.00 0.00 O ATOM 680 NE2 GLN A 46 7.960 -3.325 -3.514 1.00 0.00 N ATOM 0 HA GLN A 46 3.477 -3.716 -4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.134 -2.957 -2.413 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.426 -4.257 -3.552 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.995 -2.693 -5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.472 -1.328 -4.346 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.506 -4.212 -3.735 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.907 -3.317 -3.136 1.00 0.00 H new ATOM 689 N TYR A 47 2.898 -3.598 -1.582 1.00 0.00 N ATOM 690 CA TYR A 47 2.134 -4.233 -0.511 1.00 0.00 C ATOM 691 C TYR A 47 2.572 -5.677 -0.311 1.00 0.00 C ATOM 692 O TYR A 47 2.692 -6.440 -1.269 1.00 0.00 O ATOM 693 CB TYR A 47 0.635 -4.184 -0.813 1.00 0.00 C ATOM 694 CG TYR A 47 0.156 -2.834 -1.292 1.00 0.00 C ATOM 695 CD1 TYR A 47 -0.195 -1.839 -0.388 1.00 0.00 C ATOM 696 CD2 TYR A 47 0.055 -2.556 -2.648 1.00 0.00 C ATOM 697 CE1 TYR A 47 -0.635 -0.604 -0.826 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.383 -1.324 -3.093 1.00 0.00 C ATOM 699 CZ TYR A 47 -0.727 -0.351 -2.178 1.00 0.00 C ATOM 700 OH TYR A 47 -1.164 0.876 -2.616 1.00 0.00 O ATOM 0 H TYR A 47 3.559 -2.889 -1.265 1.00 0.00 H new ATOM 0 HA TYR A 47 2.328 -3.679 0.407 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.401 -4.932 -1.570 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.083 -4.457 0.086 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.123 -2.033 0.672 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.323 -3.316 -3.367 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.906 0.160 -0.112 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.456 -1.124 -4.152 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.170 0.891 -3.596 1.00 0.00 H new ATOM 710 N GLY A 48 2.810 -6.046 0.942 1.00 0.00 N ATOM 711 CA GLY A 48 3.233 -7.400 1.248 1.00 0.00 C ATOM 712 C GLY A 48 2.065 -8.359 1.375 1.00 0.00 C ATOM 713 O GLY A 48 1.089 -8.071 2.067 1.00 0.00 O ATOM 0 H GLY A 48 2.718 -5.432 1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.905 -7.753 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.800 -7.398 2.179 1.00 0.00 H new ATOM 717 N PHE A 49 2.160 -9.491 0.689 1.00 0.00 N ATOM 718 CA PHE A 49 1.102 -10.494 0.708 1.00 0.00 C ATOM 719 C PHE A 49 1.450 -11.690 1.587 1.00 0.00 C ATOM 720 O PHE A 49 2.540 -12.256 1.487 1.00 0.00 O ATOM 721 CB PHE A 49 0.830 -10.986 -0.708 1.00 0.00 C ATOM 722 CG PHE A 49 -0.111 -10.113 -1.472 1.00 0.00 C ATOM 723 CD1 PHE A 49 -0.025 -8.737 -1.376 1.00 0.00 C ATOM 724 CD2 PHE A 49 -1.084 -10.668 -2.280 1.00 0.00 C ATOM 725 CE1 PHE A 49 -0.895 -7.926 -2.070 1.00 0.00 C ATOM 726 CE2 PHE A 49 -1.962 -9.867 -2.978 1.00 0.00 C ATOM 727 CZ PHE A 49 -1.869 -8.491 -2.873 1.00 0.00 C ATOM 0 H PHE A 49 2.962 -9.738 0.110 1.00 0.00 H new ATOM 0 HA PHE A 49 0.217 -10.015 1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.774 -11.050 -1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.420 -11.995 -0.661 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.734 -8.292 -0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.158 -11.742 -2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.817 -6.852 -1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.720 -10.312 -3.605 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.556 -7.859 -3.417 1.00 0.00 H new ATOM 737 N THR A 50 0.496 -12.091 2.418 1.00 0.00 N ATOM 738 CA THR A 50 0.672 -13.252 3.289 1.00 0.00 C ATOM 739 C THR A 50 -0.536 -14.178 3.172 1.00 0.00 C ATOM 740 O THR A 50 -1.594 -13.770 2.698 1.00 0.00 O ATOM 741 CB THR A 50 0.868 -12.827 4.745 1.00 0.00 C ATOM 742 OG1 THR A 50 1.449 -13.872 5.494 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.420 -12.435 5.426 1.00 0.00 C ATOM 0 H THR A 50 -0.409 -11.630 2.509 1.00 0.00 H new ATOM 0 HA THR A 50 1.568 -13.784 2.969 1.00 0.00 H new ATOM 0 HB THR A 50 1.522 -11.956 4.710 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.569 -13.582 6.422 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.213 -12.144 6.456 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.871 -11.597 4.896 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.107 -13.281 5.419 1.00 0.00 H new ATOM 751 N PHE A 51 -0.379 -15.423 3.600 1.00 0.00 N ATOM 752 CA PHE A 51 -1.458 -16.392 3.527 1.00 0.00 C ATOM 753 C PHE A 51 -2.041 -16.631 4.909 1.00 0.00 C ATOM 754 O PHE A 51 -1.481 -17.361 5.721 1.00 0.00 O ATOM 755 CB PHE A 51 -0.930 -17.670 2.873 1.00 0.00 C ATOM 756 CG PHE A 51 0.013 -17.344 1.751 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.471 -16.857 0.549 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.381 -17.459 1.921 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.392 -16.490 -0.464 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.252 -17.105 0.907 1.00 0.00 C ATOM 761 CZ PHE A 51 1.756 -16.616 -0.286 1.00 0.00 C ATOM 0 H PHE A 51 0.487 -15.784 4.001 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.274 -16.015 2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.419 -18.281 3.618 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.764 -18.261 2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.537 -16.763 0.402 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.773 -17.830 2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.001 -16.105 -1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.318 -17.211 1.047 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.433 -16.333 -1.078 1.00 0.00 H new ATOM 771 N ASP A 52 -3.162 -15.969 5.166 1.00 0.00 N ATOM 772 CA ASP A 52 -3.845 -16.045 6.452 1.00 0.00 C ATOM 773 C ASP A 52 -5.248 -16.632 6.304 1.00 0.00 C ATOM 774 O ASP A 52 -6.163 -15.969 5.817 1.00 0.00 O ATOM 775 CB ASP A 52 -3.906 -14.641 7.067 1.00 0.00 C ATOM 776 CG ASP A 52 -4.872 -14.538 8.230 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.091 -14.673 8.004 1.00 0.00 O ATOM 778 OD2 ASP A 52 -4.406 -14.324 9.372 1.00 0.00 O ATOM 0 H ASP A 52 -3.624 -15.363 4.488 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.287 -16.710 7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.910 -14.356 7.405 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.198 -13.927 6.297 1.00 0.00 H new ATOM 783 N GLU A 53 -5.401 -17.883 6.707 1.00 0.00 N ATOM 784 CA GLU A 53 -6.674 -18.591 6.615 1.00 0.00 C ATOM 785 C GLU A 53 -7.653 -18.193 7.719 1.00 0.00 C ATOM 786 O GLU A 53 -8.863 -18.362 7.571 1.00 0.00 O ATOM 787 CB GLU A 53 -6.436 -20.102 6.664 1.00 0.00 C ATOM 788 CG GLU A 53 -7.049 -20.852 5.498 1.00 0.00 C ATOM 789 CD GLU A 53 -8.167 -21.784 5.921 1.00 0.00 C ATOM 790 OE1 GLU A 53 -7.968 -22.540 6.891 1.00 0.00 O ATOM 791 OE2 GLU A 53 -9.236 -21.759 5.280 1.00 0.00 O ATOM 0 H GLU A 53 -4.646 -18.440 7.108 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.125 -18.309 5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.363 -20.292 6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.846 -20.496 7.594 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.435 -20.135 4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.273 -21.428 4.994 1.00 0.00 H new ATOM 881 N LEU A 60 -10.791 -6.095 5.505 1.00 0.00 N ATOM 882 CA LEU A 60 -11.647 -6.241 4.333 1.00 0.00 C ATOM 883 C LEU A 60 -11.194 -7.427 3.496 1.00 0.00 C ATOM 884 O LEU A 60 -9.993 -7.653 3.342 1.00 0.00 O ATOM 885 CB LEU A 60 -11.667 -4.957 3.503 1.00 0.00 C ATOM 886 CG LEU A 60 -11.848 -3.658 4.298 1.00 0.00 C ATOM 887 CD1 LEU A 60 -12.506 -2.598 3.429 1.00 0.00 C ATOM 888 CD2 LEU A 60 -12.665 -3.897 5.563 1.00 0.00 C ATOM 0 HA LEU A 60 -12.666 -6.428 4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.734 -4.893 2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.473 -5.030 2.772 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.863 -3.303 4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.629 -1.681 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.879 -2.400 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.482 -2.953 3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.777 -2.959 6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.649 -4.280 5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.153 -4.623 6.195 1.00 0.00 H new ATOM 900 N THR A 61 -12.142 -8.200 2.979 1.00 0.00 N ATOM 901 CA THR A 61 -11.801 -9.377 2.190 1.00 0.00 C ATOM 902 C THR A 61 -12.433 -9.348 0.799 1.00 0.00 C ATOM 903 O THR A 61 -13.629 -9.131 0.643 1.00 0.00 O ATOM 904 CB THR A 61 -12.205 -10.652 2.933 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.435 -11.160 2.443 1.00 0.00 O ATOM 906 CG2 THR A 61 -12.355 -10.458 4.428 1.00 0.00 C ATOM 0 H THR A 61 -13.142 -8.035 3.090 1.00 0.00 H new ATOM 0 HA THR A 61 -10.720 -9.369 2.052 1.00 0.00 H new ATOM 0 HB THR A 61 -11.390 -11.352 2.752 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.559 -12.079 2.760 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.643 -11.402 4.890 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.407 -10.122 4.848 1.00 0.00 H new ATOM 0 HG23 THR A 61 -13.123 -9.710 4.623 1.00 0.00 H new ATOM 914 N ILE A 62 -11.594 -9.580 -0.203 1.00 0.00 N ATOM 915 CA ILE A 62 -12.012 -9.604 -1.597 1.00 0.00 C ATOM 916 C ILE A 62 -11.639 -10.941 -2.243 1.00 0.00 C ATOM 917 O ILE A 62 -10.528 -11.103 -2.744 1.00 0.00 O ATOM 918 CB ILE A 62 -11.345 -8.467 -2.402 1.00 0.00 C ATOM 919 CG1 ILE A 62 -10.007 -8.050 -1.771 1.00 0.00 C ATOM 920 CG2 ILE A 62 -12.286 -7.280 -2.511 1.00 0.00 C ATOM 921 CD1 ILE A 62 -10.142 -7.254 -0.487 1.00 0.00 C ATOM 0 H ILE A 62 -10.599 -9.758 -0.069 1.00 0.00 H new ATOM 0 HA ILE A 62 -13.093 -9.468 -1.613 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.134 -8.837 -3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.419 -8.946 -1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.447 -7.458 -2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.805 -6.485 -3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -13.201 -7.586 -3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.529 -6.915 -1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.151 -7.001 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.700 -6.338 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.672 -7.850 0.256 1.00 0.00 H new ATOM 933 N GLU A 63 -12.563 -11.900 -2.224 1.00 0.00 N ATOM 934 CA GLU A 63 -12.305 -13.219 -2.803 1.00 0.00 C ATOM 935 C GLU A 63 -11.975 -13.114 -4.287 1.00 0.00 C ATOM 936 O GLU A 63 -12.334 -12.134 -4.939 1.00 0.00 O ATOM 937 CB GLU A 63 -13.515 -14.133 -2.604 1.00 0.00 C ATOM 938 CG GLU A 63 -13.202 -15.608 -2.792 1.00 0.00 C ATOM 939 CD GLU A 63 -14.436 -16.479 -2.729 1.00 0.00 C ATOM 940 OE1 GLU A 63 -15.236 -16.306 -1.784 1.00 0.00 O ATOM 941 OE2 GLU A 63 -14.611 -17.332 -3.620 1.00 0.00 O ATOM 0 H GLU A 63 -13.492 -11.791 -1.817 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.444 -13.646 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.914 -13.980 -1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.297 -13.844 -3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.710 -15.751 -3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.498 -15.927 -2.023 1.00 0.00 H new ATOM 948 N LYS A 64 -11.282 -14.123 -4.821 1.00 0.00 N ATOM 949 CA LYS A 64 -10.913 -14.102 -6.233 1.00 0.00 C ATOM 950 C LYS A 64 -10.446 -15.465 -6.753 1.00 0.00 C ATOM 951 O LYS A 64 -10.601 -16.488 -6.090 1.00 0.00 O ATOM 952 CB LYS A 64 -9.835 -13.041 -6.470 1.00 0.00 C ATOM 953 CG LYS A 64 -10.371 -11.787 -7.150 1.00 0.00 C ATOM 954 CD LYS A 64 -9.292 -11.045 -7.929 1.00 0.00 C ATOM 955 CE LYS A 64 -8.567 -11.959 -8.903 1.00 0.00 C ATOM 956 NZ LYS A 64 -8.298 -11.286 -10.204 1.00 0.00 N ATOM 0 H LYS A 64 -10.972 -14.948 -4.307 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.812 -13.851 -6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.388 -12.766 -5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.041 -13.468 -7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.181 -12.061 -7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.795 -11.122 -6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.743 -10.217 -8.475 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.573 -10.613 -7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.625 -12.285 -8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.165 -12.854 -9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.943 -11.983 -10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.177 -10.864 -10.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.586 -10.540 -10.068 1.00 0.00 H new ATOM 970 N SER A 65 -9.884 -15.422 -7.963 1.00 0.00 N ATOM 971 CA SER A 65 -9.370 -16.592 -8.687 1.00 0.00 C ATOM 972 C SER A 65 -9.654 -17.937 -8.019 1.00 0.00 C ATOM 973 O SER A 65 -10.469 -18.715 -8.509 1.00 0.00 O ATOM 974 CB SER A 65 -7.868 -16.445 -8.915 1.00 0.00 C ATOM 975 OG SER A 65 -7.530 -16.699 -10.272 1.00 0.00 O ATOM 0 H SER A 65 -9.770 -14.551 -8.482 1.00 0.00 H new ATOM 0 HA SER A 65 -9.913 -16.608 -9.632 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.552 -15.439 -8.640 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.329 -17.136 -8.267 1.00 0.00 H new ATOM 0 HG SER A 65 -6.569 -16.880 -10.341 1.00 0.00 H new ATOM 981 N GLY A 66 -8.956 -18.221 -6.929 1.00 0.00 N ATOM 982 CA GLY A 66 -9.140 -19.504 -6.267 1.00 0.00 C ATOM 983 C GLY A 66 -9.011 -19.454 -4.755 1.00 0.00 C ATOM 984 O GLY A 66 -8.842 -20.489 -4.114 1.00 0.00 O ATOM 0 H GLY A 66 -8.275 -17.599 -6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.126 -19.893 -6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.407 -20.210 -6.659 1.00 0.00 H new ATOM 988 N VAL A 67 -9.099 -18.262 -4.176 1.00 0.00 N ATOM 989 CA VAL A 67 -8.999 -18.124 -2.735 1.00 0.00 C ATOM 990 C VAL A 67 -9.769 -16.898 -2.266 1.00 0.00 C ATOM 991 O VAL A 67 -10.554 -16.317 -3.016 1.00 0.00 O ATOM 992 CB VAL A 67 -7.527 -17.999 -2.270 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.682 -19.115 -2.844 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.943 -16.643 -2.644 1.00 0.00 C ATOM 0 H VAL A 67 -9.238 -17.386 -4.680 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.427 -19.026 -2.297 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.517 -18.084 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.653 -19.005 -2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.074 -20.076 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.710 -19.069 -3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.909 -16.586 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.977 -16.518 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.525 -15.853 -2.170 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.514 -16.496 -1.033 1.00 0.00 N ATOM 1005 CA GLN A 68 -10.148 -15.324 -0.467 1.00 0.00 C ATOM 1006 C GLN A 68 -9.075 -14.291 -0.139 1.00 0.00 C ATOM 1007 O GLN A 68 -8.202 -14.528 0.694 1.00 0.00 O ATOM 1008 CB GLN A 68 -10.995 -15.719 0.753 1.00 0.00 C ATOM 1009 CG GLN A 68 -10.810 -14.861 1.993 1.00 0.00 C ATOM 1010 CD GLN A 68 -11.739 -13.671 2.027 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -12.366 -13.392 3.044 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -11.837 -12.966 0.912 1.00 0.00 N ATOM 0 H GLN A 68 -8.867 -16.970 -0.403 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.833 -14.872 -1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.046 -15.688 0.467 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.765 -16.753 1.012 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.978 -15.472 2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.778 -14.512 2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.297 -13.235 0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.453 -12.154 0.875 1.00 0.00 H new ATOM 1021 N LEU A 69 -9.126 -13.155 -0.822 1.00 0.00 N ATOM 1022 CA LEU A 69 -8.145 -12.105 -0.616 1.00 0.00 C ATOM 1023 C LEU A 69 -8.591 -11.174 0.497 1.00 0.00 C ATOM 1024 O LEU A 69 -9.770 -10.861 0.614 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.935 -11.321 -1.915 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.482 -11.173 -2.363 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.667 -10.452 -1.303 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -5.884 -12.535 -2.674 1.00 0.00 C ATOM 0 H LEU A 69 -9.836 -12.940 -1.522 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.199 -12.562 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.495 -11.813 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.363 -10.326 -1.792 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.458 -10.573 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.635 -10.356 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.087 -9.461 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.694 -11.021 -0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.848 -12.414 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.919 -13.160 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.455 -13.010 -3.472 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.653 -10.746 1.322 1.00 0.00 N ATOM 1041 CA VAL A 70 -7.971 -9.859 2.424 1.00 0.00 C ATOM 1042 C VAL A 70 -6.834 -8.873 2.654 1.00 0.00 C ATOM 1043 O VAL A 70 -5.679 -9.171 2.368 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.296 -10.652 3.717 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -8.638 -12.100 3.393 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.160 -10.603 4.724 1.00 0.00 C ATOM 0 H VAL A 70 -6.667 -10.998 1.250 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.866 -9.297 2.158 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.162 -10.170 4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.862 -12.636 4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.507 -12.130 2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.790 -12.572 2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.436 -11.173 5.612 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.262 -11.034 4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.966 -9.567 5.003 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.167 -7.698 3.164 1.00 0.00 N ATOM 1057 CA ILE A 71 -6.157 -6.683 3.425 1.00 0.00 C ATOM 1058 C ILE A 71 -6.502 -5.876 4.671 1.00 0.00 C ATOM 1059 O ILE A 71 -7.650 -5.859 5.118 1.00 0.00 O ATOM 1060 CB ILE A 71 -5.955 -5.740 2.215 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -7.010 -4.637 2.193 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -5.990 -6.529 0.915 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.427 -5.161 2.154 1.00 0.00 C ATOM 0 H ILE A 71 -8.120 -7.424 3.404 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.217 -7.208 3.596 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.977 -5.270 2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.887 -4.009 3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.842 -4.001 1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.846 -5.851 0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.195 -7.274 0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.954 -7.028 0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.124 -4.323 2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.567 -5.765 1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.613 -5.773 3.036 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.496 -5.224 5.236 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.687 -4.429 6.448 1.00 0.00 C ATOM 1077 C ASP A 72 -6.107 -2.990 6.131 1.00 0.00 C ATOM 1078 O ASP A 72 -5.653 -2.398 5.153 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.404 -4.424 7.282 1.00 0.00 C ATOM 1080 CG ASP A 72 -3.221 -3.862 6.518 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -3.219 -3.958 5.273 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -2.296 -3.328 7.165 1.00 0.00 O ATOM 0 H ASP A 72 -4.541 -5.227 4.879 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.493 -4.891 7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.563 -3.835 8.185 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.177 -5.441 7.601 1.00 0.00 H new ATOM 1087 N PRO A 73 -6.992 -2.417 6.972 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.496 -1.049 6.810 1.00 0.00 C ATOM 1089 C PRO A 73 -6.412 -0.055 6.408 1.00 0.00 C ATOM 1090 O PRO A 73 -6.653 0.855 5.619 1.00 0.00 O ATOM 1091 CB PRO A 73 -8.029 -0.720 8.201 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.493 -2.028 8.738 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.578 -3.074 8.152 1.00 0.00 C ATOM 0 HA PRO A 73 -8.237 -0.981 6.013 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.253 -0.284 8.831 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.844 0.002 8.154 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.449 -2.039 9.827 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.529 -2.217 8.459 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.809 -3.375 8.864 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.127 -3.974 7.876 1.00 0.00 H new ATOM 1101 N MET A 74 -5.215 -0.231 6.949 1.00 0.00 N ATOM 1102 CA MET A 74 -4.109 0.655 6.629 1.00 0.00 C ATOM 1103 C MET A 74 -3.866 0.643 5.121 1.00 0.00 C ATOM 1104 O MET A 74 -3.703 1.683 4.483 1.00 0.00 O ATOM 1105 CB MET A 74 -2.859 0.234 7.422 1.00 0.00 C ATOM 1106 CG MET A 74 -1.535 0.421 6.693 1.00 0.00 C ATOM 1107 SD MET A 74 -0.220 0.996 7.784 1.00 0.00 S ATOM 1108 CE MET A 74 -0.747 2.680 8.091 1.00 0.00 C ATOM 0 H MET A 74 -4.987 -0.976 7.608 1.00 0.00 H new ATOM 0 HA MET A 74 -4.350 1.678 6.918 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.828 0.805 8.350 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.959 -0.816 7.696 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.238 -0.524 6.238 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.669 1.137 5.882 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.102 3.269 8.437 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.138 3.113 7.170 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.527 2.684 8.853 1.00 0.00 H new ATOM 1118 N SER A 75 -3.877 -0.540 4.547 1.00 0.00 N ATOM 1119 CA SER A 75 -3.692 -0.674 3.117 1.00 0.00 C ATOM 1120 C SER A 75 -4.972 -0.280 2.388 1.00 0.00 C ATOM 1121 O SER A 75 -4.931 0.231 1.271 1.00 0.00 O ATOM 1122 CB SER A 75 -3.303 -2.110 2.760 1.00 0.00 C ATOM 1123 OG SER A 75 -2.477 -2.145 1.609 1.00 0.00 O ATOM 0 H SER A 75 -4.011 -1.420 5.045 1.00 0.00 H new ATOM 0 HA SER A 75 -2.886 -0.010 2.805 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.781 -2.568 3.600 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.202 -2.700 2.584 1.00 0.00 H new ATOM 0 HG SER A 75 -2.242 -3.074 1.403 1.00 0.00 H new ATOM 1129 N LEU A 76 -6.113 -0.527 3.032 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.418 -0.217 2.450 1.00 0.00 C ATOM 1131 C LEU A 76 -7.423 1.143 1.763 1.00 0.00 C ATOM 1132 O LEU A 76 -7.944 1.284 0.659 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.501 -0.290 3.531 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.597 0.778 3.465 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -10.799 0.321 4.256 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -9.085 2.095 4.013 1.00 0.00 C ATOM 0 H LEU A 76 -6.159 -0.943 3.962 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.632 -0.961 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.974 -1.270 3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.017 -0.224 4.505 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.885 0.925 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.577 1.082 4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.177 -0.612 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.512 0.162 5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.876 2.843 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.780 1.963 5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.230 2.427 3.423 1.00 0.00 H new ATOM 1148 N GLN A 77 -6.853 2.141 2.424 1.00 0.00 N ATOM 1149 CA GLN A 77 -6.810 3.486 1.872 1.00 0.00 C ATOM 1150 C GLN A 77 -5.647 3.650 0.894 1.00 0.00 C ATOM 1151 O GLN A 77 -5.654 4.558 0.064 1.00 0.00 O ATOM 1152 CB GLN A 77 -6.764 4.541 2.992 1.00 0.00 C ATOM 1153 CG GLN A 77 -5.390 5.135 3.281 1.00 0.00 C ATOM 1154 CD GLN A 77 -4.906 4.793 4.670 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -4.940 3.511 4.994 1.00 0.00 O flip ATOM 1156 NE2 GLN A 77 -4.506 5.667 5.439 1.00 0.00 N flip ATOM 0 H GLN A 77 -6.415 2.044 3.340 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.729 3.645 1.308 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.443 5.352 2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.145 4.089 3.908 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.674 4.766 2.547 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.433 6.218 3.169 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.499 6.643 5.143 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.181 5.415 6.373 1.00 0.00 H new ATOM 1165 N TYR A 78 -4.649 2.773 0.991 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.499 2.842 0.101 1.00 0.00 C ATOM 1167 C TYR A 78 -3.782 2.141 -1.227 1.00 0.00 C ATOM 1168 O TYR A 78 -3.358 2.601 -2.288 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.274 2.197 0.751 1.00 0.00 C ATOM 1170 CG TYR A 78 -1.660 3.012 1.866 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.425 3.450 2.936 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.306 3.325 1.855 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -1.862 4.179 3.965 1.00 0.00 C ATOM 1174 CE2 TYR A 78 0.265 4.056 2.879 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.517 4.480 3.931 1.00 0.00 C ATOM 1176 OH TYR A 78 0.047 5.206 4.955 1.00 0.00 O ATOM 0 H TYR A 78 -4.616 2.014 1.672 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.301 3.897 -0.089 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.558 1.221 1.144 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.519 2.025 -0.016 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.479 3.217 2.965 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.310 2.991 1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.472 4.512 4.792 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.318 4.294 2.855 1.00 0.00 H new ATOM 0 HH TYR A 78 1.003 5.331 4.779 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.475 1.009 -1.153 1.00 0.00 N ATOM 1187 CA LEU A 79 -4.790 0.211 -2.343 1.00 0.00 C ATOM 1188 C LEU A 79 -6.120 0.593 -2.997 1.00 0.00 C ATOM 1189 O LEU A 79 -6.394 0.190 -4.124 1.00 0.00 O ATOM 1190 CB LEU A 79 -4.723 -1.298 -2.045 1.00 0.00 C ATOM 1191 CG LEU A 79 -5.744 -1.905 -1.061 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.070 -2.218 0.257 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -6.946 -1.006 -0.827 1.00 0.00 C ATOM 0 H LEU A 79 -4.832 0.619 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.017 0.447 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.823 -1.827 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.726 -1.515 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.116 -2.822 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.798 -2.646 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.263 -2.932 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.662 -1.302 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.629 -1.486 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.613 -0.054 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.460 -0.832 -1.772 1.00 0.00 H new ATOM 1205 N ILE A 80 -6.959 1.322 -2.270 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.297 1.710 -2.747 1.00 0.00 C ATOM 1207 C ILE A 80 -8.483 1.561 -4.262 1.00 0.00 C ATOM 1208 O ILE A 80 -7.768 2.155 -5.068 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.637 3.171 -2.373 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -7.792 4.154 -3.182 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.432 3.403 -0.892 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -6.306 3.939 -3.028 1.00 0.00 C ATOM 0 H ILE A 80 -6.739 1.664 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.971 1.016 -2.246 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.686 3.342 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.056 4.067 -4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.038 5.171 -2.875 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.676 4.437 -0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.080 2.734 -0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.392 3.206 -0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.768 4.672 -3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.028 4.055 -1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.047 2.934 -3.362 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.486 0.759 -4.604 1.00 0.00 N ATOM 1225 CA GLY A 81 -9.862 0.488 -5.985 1.00 0.00 C ATOM 1226 C GLY A 81 -8.727 0.506 -6.999 1.00 0.00 C ATOM 1227 O GLY A 81 -8.944 0.863 -8.157 1.00 0.00 O ATOM 0 H GLY A 81 -10.067 0.273 -3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.344 -0.489 -6.025 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.607 1.223 -6.289 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.529 0.103 -6.594 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.419 0.073 -7.534 1.00 0.00 C ATOM 1233 C GLY A 82 -6.404 -1.215 -8.342 1.00 0.00 C ATOM 1234 O GLY A 82 -7.454 -1.811 -8.583 1.00 0.00 O ATOM 0 H GLY A 82 -7.305 -0.200 -5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.490 0.926 -8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.479 0.174 -6.991 1.00 0.00 H new ATOM 1238 N THR A 83 -5.217 -1.655 -8.747 1.00 0.00 N ATOM 1239 CA THR A 83 -5.078 -2.892 -9.515 1.00 0.00 C ATOM 1240 C THR A 83 -3.728 -3.542 -9.227 1.00 0.00 C ATOM 1241 O THR A 83 -2.701 -2.868 -9.212 1.00 0.00 O ATOM 1242 CB THR A 83 -5.218 -2.622 -11.014 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.572 -2.386 -11.358 1.00 0.00 O ATOM 1244 CG2 THR A 83 -4.717 -3.766 -11.876 1.00 0.00 C ATOM 0 H THR A 83 -4.337 -1.175 -8.558 1.00 0.00 H new ATOM 0 HA THR A 83 -5.874 -3.572 -9.211 1.00 0.00 H new ATOM 0 HB THR A 83 -4.604 -1.743 -11.209 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.100 -2.262 -10.542 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.844 -3.512 -12.928 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.661 -3.941 -11.670 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.285 -4.668 -11.650 1.00 0.00 H new ATOM 1252 N VAL A 84 -3.728 -4.853 -9.001 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.484 -5.563 -8.719 1.00 0.00 C ATOM 1254 C VAL A 84 -2.326 -6.799 -9.590 1.00 0.00 C ATOM 1255 O VAL A 84 -3.303 -7.391 -10.040 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.350 -5.974 -7.223 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.590 -5.615 -6.421 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.029 -7.457 -7.073 1.00 0.00 C ATOM 0 H VAL A 84 -4.563 -5.439 -9.007 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.689 -4.854 -8.953 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.514 -5.403 -6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.453 -5.920 -5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.752 -4.538 -6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.455 -6.130 -6.839 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.943 -7.706 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.827 -8.049 -7.521 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.087 -7.678 -7.575 1.00 0.00 H new ATOM 1268 N ASP A 85 -1.077 -7.191 -9.788 1.00 0.00 N ATOM 1269 CA ASP A 85 -0.755 -8.375 -10.562 1.00 0.00 C ATOM 1270 C ASP A 85 0.549 -8.979 -10.062 1.00 0.00 C ATOM 1271 O ASP A 85 1.453 -8.256 -9.643 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.664 -8.046 -12.052 1.00 0.00 C ATOM 1273 CG ASP A 85 0.078 -6.751 -12.318 1.00 0.00 C ATOM 1274 OD1 ASP A 85 -0.551 -5.676 -12.225 1.00 0.00 O ATOM 1275 OD2 ASP A 85 1.289 -6.812 -12.622 1.00 0.00 O ATOM 0 H ASP A 85 -0.264 -6.699 -9.418 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.554 -9.105 -10.432 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.161 -8.862 -12.571 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.669 -7.976 -12.467 1.00 0.00 H new ATOM 1280 N TYR A 86 0.644 -10.302 -10.089 1.00 0.00 N ATOM 1281 CA TYR A 86 1.842 -10.977 -9.617 1.00 0.00 C ATOM 1282 C TYR A 86 2.578 -11.667 -10.755 1.00 0.00 C ATOM 1283 O TYR A 86 1.964 -12.183 -11.689 1.00 0.00 O ATOM 1284 CB TYR A 86 1.475 -11.992 -8.536 1.00 0.00 C ATOM 1285 CG TYR A 86 2.268 -11.839 -7.260 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.650 -11.957 -7.260 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.632 -11.580 -6.053 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.379 -11.824 -6.095 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.352 -11.443 -4.881 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.726 -11.567 -4.908 1.00 0.00 C ATOM 1291 OH TYR A 86 4.448 -11.432 -3.744 1.00 0.00 O ATOM 0 H TYR A 86 -0.089 -10.924 -10.430 1.00 0.00 H new ATOM 0 HA TYR A 86 2.510 -10.225 -9.197 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.414 -11.896 -8.307 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.627 -12.997 -8.929 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.165 -12.157 -8.188 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.557 -11.484 -6.030 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.455 -11.921 -6.113 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.843 -11.240 -3.951 1.00 0.00 H new ATOM 0 HH TYR A 86 3.837 -11.252 -2.999 1.00 0.00 H new ATOM 1301 N THR A 87 3.899 -11.682 -10.656 1.00 0.00 N ATOM 1302 CA THR A 87 4.735 -12.317 -11.658 1.00 0.00 C ATOM 1303 C THR A 87 5.921 -13.000 -10.995 1.00 0.00 C ATOM 1304 O THR A 87 6.979 -12.399 -10.815 1.00 0.00 O ATOM 1305 CB THR A 87 5.225 -11.289 -12.678 1.00 0.00 C ATOM 1306 OG1 THR A 87 4.131 -10.657 -13.320 1.00 0.00 O ATOM 1307 CG2 THR A 87 6.106 -11.888 -13.754 1.00 0.00 C ATOM 0 H THR A 87 4.416 -11.258 -9.886 1.00 0.00 H new ATOM 0 HA THR A 87 4.140 -13.067 -12.179 1.00 0.00 H new ATOM 0 HB THR A 87 5.814 -10.572 -12.106 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.466 -10.002 -13.967 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.419 -11.105 -14.445 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.985 -12.340 -13.295 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.549 -12.651 -14.298 1.00 0.00 H new ATOM 1413 N PHE A 95 6.166 -8.472 -7.819 1.00 0.00 N ATOM 1414 CA PHE A 95 4.851 -7.954 -7.466 1.00 0.00 C ATOM 1415 C PHE A 95 4.722 -6.488 -7.856 1.00 0.00 C ATOM 1416 O PHE A 95 5.586 -5.672 -7.536 1.00 0.00 O ATOM 1417 CB PHE A 95 4.585 -8.118 -5.968 1.00 0.00 C ATOM 1418 CG PHE A 95 3.125 -8.041 -5.614 1.00 0.00 C ATOM 1419 CD1 PHE A 95 2.180 -8.682 -6.399 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.695 -7.330 -4.502 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.839 -8.614 -6.088 1.00 0.00 C ATOM 1422 CE2 PHE A 95 1.353 -7.261 -4.186 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.424 -7.904 -4.980 1.00 0.00 C ATOM 0 HA PHE A 95 4.109 -8.530 -8.019 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.982 -9.078 -5.638 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.126 -7.345 -5.423 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.498 -9.242 -7.266 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.418 -6.826 -3.878 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.114 -9.116 -6.711 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.030 -6.705 -3.319 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.626 -7.851 -4.734 1.00 0.00 H new ATOM 1433 N THR A 96 3.636 -6.158 -8.547 1.00 0.00 N ATOM 1434 CA THR A 96 3.400 -4.783 -8.976 1.00 0.00 C ATOM 1435 C THR A 96 1.922 -4.420 -8.894 1.00 0.00 C ATOM 1436 O THR A 96 1.071 -5.090 -9.478 1.00 0.00 O ATOM 1437 CB THR A 96 3.903 -4.569 -10.402 1.00 0.00 C ATOM 1438 OG1 THR A 96 5.037 -5.376 -10.664 1.00 0.00 O ATOM 1439 CG2 THR A 96 4.283 -3.132 -10.691 1.00 0.00 C ATOM 0 H THR A 96 2.909 -6.819 -8.821 1.00 0.00 H new ATOM 0 HA THR A 96 3.953 -4.132 -8.299 1.00 0.00 H new ATOM 0 HB THR A 96 3.069 -4.845 -11.047 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.341 -5.224 -11.583 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.632 -3.048 -11.720 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.414 -2.490 -10.549 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.077 -2.822 -10.012 1.00 0.00 H new ATOM 1447 N VAL A 97 1.630 -3.351 -8.165 1.00 0.00 N ATOM 1448 CA VAL A 97 0.259 -2.880 -7.999 1.00 0.00 C ATOM 1449 C VAL A 97 0.110 -1.461 -8.543 1.00 0.00 C ATOM 1450 O VAL A 97 1.102 -0.799 -8.842 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.170 -2.903 -6.515 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -1.680 -2.866 -6.382 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.389 -4.128 -5.806 1.00 0.00 C ATOM 0 H VAL A 97 2.328 -2.790 -7.676 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.386 -3.556 -8.560 1.00 0.00 H new ATOM 0 HB VAL A 97 0.239 -2.011 -6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.953 -2.883 -5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.063 -1.955 -6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.111 -3.733 -6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.073 -4.121 -4.763 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.018 -5.030 -6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.478 -4.112 -5.855 1.00 0.00 H new ATOM 1463 N ASN A 98 -1.130 -1.001 -8.680 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.389 0.338 -9.197 1.00 0.00 C ATOM 1465 C ASN A 98 -2.584 0.976 -8.497 1.00 0.00 C ATOM 1466 O ASN A 98 -3.418 0.285 -7.912 1.00 0.00 O ATOM 1467 CB ASN A 98 -1.635 0.282 -10.705 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.494 -0.385 -11.448 1.00 0.00 C ATOM 1469 OD1 ASN A 98 0.651 0.063 -11.380 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -0.799 -1.460 -12.164 1.00 0.00 N ATOM 0 H ASN A 98 -1.967 -1.533 -8.442 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.511 0.952 -8.999 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.560 -0.261 -10.900 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.772 1.294 -11.087 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.071 -1.949 -12.686 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.761 -1.798 -12.193 1.00 0.00 H new