USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 713 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 17 LYS NZ :NH3+ -115:sc= -0.992 (180deg=0) USER MOD Set 1.2: A 103 SER OG : rot -103:sc= -1.02 USER MOD Single : A 13 SER OG : rot -171:sc= 0.103 USER MOD Single : A 23 LYS NZ :NH3+ -122:sc= -0.267 (180deg=-2.71!) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.193 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.97 K(o=-2,f=-0.22) USER MOD Single : A 42 THR OG1 : rot 4:sc= 0.561 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0102 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -56:sc= -1.84! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -5.21! C(o=-5.2!,f=-9.3!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0569 K(o=-0.057,f=0.56) USER MOD Single : A 80 THR OG1 : rot -130:sc= -0.414 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -2.72 K(o=-2.7,f=-3.6!) USER MOD Single : A 102 CYS SG : rot 180:sc= -0.0758 USER MOD ----------------------------------------------------------------- ATOM 129 N TRP A 12 -7.630 -2.289 2.270 1.00 0.00 N ATOM 130 CA TRP A 12 -7.304 -1.125 1.453 1.00 0.00 C ATOM 131 C TRP A 12 -8.372 -0.890 0.390 1.00 0.00 C ATOM 132 O TRP A 12 -9.380 -1.595 0.344 1.00 0.00 O ATOM 133 CB TRP A 12 -5.938 -1.307 0.791 1.00 0.00 C ATOM 134 CG TRP A 12 -4.840 -1.607 1.766 1.00 0.00 C ATOM 135 CD1 TRP A 12 -4.256 -0.732 2.637 1.00 0.00 C ATOM 136 CD2 TRP A 12 -4.194 -2.868 1.967 1.00 0.00 C ATOM 137 NE1 TRP A 12 -3.286 -1.374 3.368 1.00 0.00 N ATOM 138 CE2 TRP A 12 -3.228 -2.686 2.976 1.00 0.00 C ATOM 139 CE3 TRP A 12 -4.338 -4.135 1.394 1.00 0.00 C ATOM 140 CZ2 TRP A 12 -2.412 -3.722 3.422 1.00 0.00 C ATOM 141 CZ3 TRP A 12 -3.527 -5.162 1.837 1.00 0.00 C ATOM 142 CH2 TRP A 12 -2.575 -4.952 2.843 1.00 0.00 C ATOM 0 HA TRP A 12 -7.269 -0.252 2.105 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.000 -2.117 0.064 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.686 -0.401 0.239 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.518 0.311 2.736 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.703 -0.944 4.086 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.070 -4.308 0.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.677 -3.561 4.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.629 -6.144 1.400 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.958 -5.776 3.168 1.00 0.00 H new ATOM 153 N SER A 13 -8.143 0.103 -0.463 1.00 0.00 N ATOM 154 CA SER A 13 -9.088 0.432 -1.524 1.00 0.00 C ATOM 155 C SER A 13 -8.571 -0.044 -2.878 1.00 0.00 C ATOM 156 O SER A 13 -7.377 0.019 -3.173 1.00 0.00 O ATOM 157 CB SER A 13 -9.339 1.941 -1.562 1.00 0.00 C ATOM 158 OG SER A 13 -10.441 2.253 -2.396 1.00 0.00 O ATOM 0 H SER A 13 -7.312 0.694 -0.440 1.00 0.00 H new ATOM 0 HA SER A 13 -10.027 -0.080 -1.313 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.527 2.307 -0.553 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.448 2.452 -1.925 1.00 0.00 H new ATOM 0 HG SER A 13 -10.490 3.223 -2.523 1.00 0.00 H new ATOM 164 N PRO A 14 -9.491 -0.532 -3.723 1.00 0.00 N ATOM 165 CA PRO A 14 -9.153 -1.028 -5.061 1.00 0.00 C ATOM 166 C PRO A 14 -8.737 0.093 -6.007 1.00 0.00 C ATOM 167 O PRO A 14 -8.474 -0.144 -7.185 1.00 0.00 O ATOM 168 CB PRO A 14 -10.456 -1.675 -5.538 1.00 0.00 C ATOM 169 CG PRO A 14 -11.528 -0.976 -4.777 1.00 0.00 C ATOM 170 CD PRO A 14 -10.932 -0.637 -3.438 1.00 0.00 C ATOM 0 HA PRO A 14 -8.304 -1.711 -5.040 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.589 -1.551 -6.613 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.462 -2.746 -5.337 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.853 -0.076 -5.299 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.405 -1.613 -4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.333 0.297 -3.045 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.140 -1.410 -2.698 1.00 0.00 H new ATOM 178 N GLU A 15 -8.680 1.313 -5.482 1.00 0.00 N ATOM 179 CA GLU A 15 -8.297 2.470 -6.282 1.00 0.00 C ATOM 180 C GLU A 15 -6.959 3.036 -5.813 1.00 0.00 C ATOM 181 O GLU A 15 -6.870 3.649 -4.749 1.00 0.00 O ATOM 182 CB GLU A 15 -9.376 3.552 -6.205 1.00 0.00 C ATOM 183 CG GLU A 15 -9.375 4.320 -4.893 1.00 0.00 C ATOM 184 CD GLU A 15 -10.755 4.817 -4.507 1.00 0.00 C ATOM 185 OE1 GLU A 15 -11.505 5.243 -5.410 1.00 0.00 O ATOM 186 OE2 GLU A 15 -11.084 4.779 -3.303 1.00 0.00 O ATOM 0 H GLU A 15 -8.894 1.525 -4.508 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.192 2.145 -7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.235 4.254 -7.027 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.353 3.090 -6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.989 3.678 -4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.697 5.169 -4.974 1.00 0.00 H new ATOM 193 N VAL A 16 -5.920 2.826 -6.615 1.00 0.00 N ATOM 194 CA VAL A 16 -4.587 3.314 -6.284 1.00 0.00 C ATOM 195 C VAL A 16 -4.425 4.778 -6.678 1.00 0.00 C ATOM 196 O VAL A 16 -4.900 5.206 -7.730 1.00 0.00 O ATOM 197 CB VAL A 16 -3.495 2.482 -6.981 1.00 0.00 C ATOM 198 CG1 VAL A 16 -3.710 2.473 -8.487 1.00 0.00 C ATOM 199 CG2 VAL A 16 -2.114 3.018 -6.635 1.00 0.00 C ATOM 0 H VAL A 16 -5.976 2.321 -7.499 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.473 3.216 -5.204 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.561 1.455 -6.622 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.929 1.880 -8.963 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.684 2.038 -8.713 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.672 3.494 -8.866 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.355 2.418 -7.136 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.033 4.054 -6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.963 2.967 -5.557 1.00 0.00 H new ATOM 209 N LYS A 17 -3.749 5.543 -5.827 1.00 0.00 N ATOM 210 CA LYS A 17 -3.521 6.959 -6.086 1.00 0.00 C ATOM 211 C LYS A 17 -2.033 7.248 -6.257 1.00 0.00 C ATOM 212 O LYS A 17 -1.211 6.823 -5.444 1.00 0.00 O ATOM 213 CB LYS A 17 -4.088 7.805 -4.944 1.00 0.00 C ATOM 214 CG LYS A 17 -3.588 7.388 -3.572 1.00 0.00 C ATOM 215 CD LYS A 17 -3.768 8.499 -2.551 1.00 0.00 C ATOM 216 CE LYS A 17 -3.680 7.968 -1.128 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.953 7.327 -0.696 1.00 0.00 N ATOM 0 H LYS A 17 -3.349 5.205 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.033 7.221 -7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.829 8.850 -5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.176 7.740 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.126 6.499 -3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.534 7.118 -3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.005 9.262 -2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.734 8.980 -2.702 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.868 7.245 -1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.436 8.786 -0.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.370 7.875 0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.617 7.301 -1.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.761 6.357 -0.374 1.00 0.00 H new ATOM 231 N ILE A 18 -1.694 7.974 -7.317 1.00 0.00 N ATOM 232 CA ILE A 18 -0.305 8.322 -7.591 1.00 0.00 C ATOM 233 C ILE A 18 0.080 9.629 -6.907 1.00 0.00 C ATOM 234 O ILE A 18 -0.527 10.672 -7.150 1.00 0.00 O ATOM 235 CB ILE A 18 -0.046 8.452 -9.104 1.00 0.00 C ATOM 236 CG1 ILE A 18 -0.407 7.148 -9.819 1.00 0.00 C ATOM 237 CG2 ILE A 18 1.408 8.819 -9.363 1.00 0.00 C ATOM 238 CD1 ILE A 18 0.467 5.979 -9.422 1.00 0.00 C ATOM 0 H ILE A 18 -2.362 8.332 -8.000 1.00 0.00 H new ATOM 0 HA ILE A 18 0.307 7.513 -7.193 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.677 9.248 -9.499 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.447 6.902 -9.606 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.330 7.300 -10.896 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.575 8.907 -10.436 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.635 9.770 -8.881 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.057 8.043 -8.957 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.154 5.089 -9.968 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.506 6.204 -9.661 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.371 5.800 -8.351 1.00 0.00 H new ATOM 250 N VAL A 19 1.095 9.566 -6.050 1.00 0.00 N ATOM 251 CA VAL A 19 1.564 10.745 -5.332 1.00 0.00 C ATOM 252 C VAL A 19 2.897 11.233 -5.889 1.00 0.00 C ATOM 253 O VAL A 19 3.849 10.463 -6.009 1.00 0.00 O ATOM 254 CB VAL A 19 1.722 10.459 -3.827 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.401 11.628 -3.130 1.00 0.00 C ATOM 256 CG2 VAL A 19 0.369 10.164 -3.196 1.00 0.00 C ATOM 0 H VAL A 19 1.608 8.711 -5.836 1.00 0.00 H new ATOM 0 HA VAL A 19 0.811 11.521 -5.469 1.00 0.00 H new ATOM 0 HB VAL A 19 2.353 9.579 -3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.504 11.408 -2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.388 11.788 -3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.798 12.527 -3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.499 9.964 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.288 11.024 -3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.075 9.292 -3.677 1.00 0.00 H new ATOM 266 N GLU A 20 2.957 12.517 -6.225 1.00 0.00 N ATOM 267 CA GLU A 20 4.174 13.108 -6.769 1.00 0.00 C ATOM 268 C GLU A 20 5.137 13.495 -5.651 1.00 0.00 C ATOM 269 O GLU A 20 4.930 14.490 -4.955 1.00 0.00 O ATOM 270 CB GLU A 20 3.837 14.337 -7.616 1.00 0.00 C ATOM 271 CG GLU A 20 3.591 14.018 -9.081 1.00 0.00 C ATOM 272 CD GLU A 20 2.884 15.142 -9.812 1.00 0.00 C ATOM 273 OE1 GLU A 20 3.541 16.161 -10.110 1.00 0.00 O ATOM 274 OE2 GLU A 20 1.673 15.004 -10.086 1.00 0.00 O ATOM 0 H GLU A 20 2.178 13.168 -6.130 1.00 0.00 H new ATOM 0 HA GLU A 20 4.658 12.363 -7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.951 14.820 -7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.654 15.054 -7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.544 13.815 -9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.994 13.109 -9.156 1.00 0.00 H new ATOM 281 N LEU A 21 6.190 12.703 -5.485 1.00 0.00 N ATOM 282 CA LEU A 21 7.187 12.962 -4.451 1.00 0.00 C ATOM 283 C LEU A 21 8.514 13.390 -5.069 1.00 0.00 C ATOM 284 O LEU A 21 9.039 12.723 -5.961 1.00 0.00 O ATOM 285 CB LEU A 21 7.391 11.715 -3.589 1.00 0.00 C ATOM 286 CG LEU A 21 6.328 11.456 -2.520 1.00 0.00 C ATOM 287 CD1 LEU A 21 6.849 10.483 -1.474 1.00 0.00 C ATOM 288 CD2 LEU A 21 5.898 12.762 -1.868 1.00 0.00 C ATOM 0 H LEU A 21 6.376 11.876 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 21 6.821 13.775 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.435 10.847 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.361 11.792 -3.097 1.00 0.00 H new ATOM 0 HG LEU A 21 5.458 11.009 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.079 10.311 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.107 9.538 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.735 10.902 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.141 12.559 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.761 13.237 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.483 13.427 -2.625 1.00 0.00 H new ATOM 300 N VAL A 22 9.053 14.505 -4.587 1.00 0.00 N ATOM 301 CA VAL A 22 10.321 15.020 -5.089 1.00 0.00 C ATOM 302 C VAL A 22 11.494 14.477 -4.281 1.00 0.00 C ATOM 303 O VAL A 22 11.762 14.935 -3.170 1.00 0.00 O ATOM 304 CB VAL A 22 10.355 16.560 -5.052 1.00 0.00 C ATOM 305 CG1 VAL A 22 11.687 17.077 -5.573 1.00 0.00 C ATOM 306 CG2 VAL A 22 9.199 17.137 -5.855 1.00 0.00 C ATOM 0 H VAL A 22 8.631 15.069 -3.849 1.00 0.00 H new ATOM 0 HA VAL A 22 10.411 14.686 -6.123 1.00 0.00 H new ATOM 0 HB VAL A 22 10.246 16.884 -4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.693 18.166 -5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.495 16.691 -4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.829 16.745 -6.601 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.238 18.226 -5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.274 16.806 -6.891 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.255 16.793 -5.432 1.00 0.00 H new ATOM 316 N LYS A 23 12.192 13.498 -4.846 1.00 0.00 N ATOM 317 CA LYS A 23 13.338 12.892 -4.180 1.00 0.00 C ATOM 318 C LYS A 23 14.554 13.811 -4.246 1.00 0.00 C ATOM 319 O LYS A 23 14.864 14.371 -5.297 1.00 0.00 O ATOM 320 CB LYS A 23 13.671 11.542 -4.819 1.00 0.00 C ATOM 321 CG LYS A 23 14.955 10.922 -4.297 1.00 0.00 C ATOM 322 CD LYS A 23 15.280 9.623 -5.017 1.00 0.00 C ATOM 323 CE LYS A 23 16.781 9.384 -5.084 1.00 0.00 C ATOM 324 NZ LYS A 23 17.272 8.610 -3.910 1.00 0.00 N ATOM 0 H LYS A 23 11.984 13.107 -5.765 1.00 0.00 H new ATOM 0 HA LYS A 23 13.078 12.737 -3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.846 10.852 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.752 11.671 -5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.778 11.625 -4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.860 10.733 -3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.800 8.790 -4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.870 9.653 -6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.023 8.846 -6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.300 10.342 -5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.001 9.160 -3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.480 8.420 -3.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.678 7.709 -4.234 1.00 0.00 H new ATOM 338 N ASP A 24 15.239 13.960 -3.117 1.00 0.00 N ATOM 339 CA ASP A 24 16.423 14.809 -3.048 1.00 0.00 C ATOM 340 C ASP A 24 17.695 13.967 -3.026 1.00 0.00 C ATOM 341 O ASP A 24 17.637 12.737 -3.024 1.00 0.00 O ATOM 342 CB ASP A 24 16.365 15.700 -1.806 1.00 0.00 C ATOM 343 CG ASP A 24 15.246 16.721 -1.877 1.00 0.00 C ATOM 344 OD1 ASP A 24 15.254 17.545 -2.816 1.00 0.00 O ATOM 345 OD2 ASP A 24 14.363 16.697 -0.994 1.00 0.00 O ATOM 0 H ASP A 24 14.995 13.504 -2.238 1.00 0.00 H new ATOM 0 HA ASP A 24 16.441 15.439 -3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.229 15.077 -0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.317 16.217 -1.688 1.00 0.00 H new ATOM 350 N CYS A 25 18.841 14.638 -3.011 1.00 0.00 N ATOM 351 CA CYS A 25 20.128 13.952 -2.992 1.00 0.00 C ATOM 352 C CYS A 25 20.161 12.888 -1.899 1.00 0.00 C ATOM 353 O CYS A 25 20.768 11.830 -2.065 1.00 0.00 O ATOM 354 CB CYS A 25 21.262 14.955 -2.778 1.00 0.00 C ATOM 355 SG CYS A 25 21.132 15.898 -1.240 1.00 0.00 S ATOM 0 H CYS A 25 18.905 15.656 -3.012 1.00 0.00 H new ATOM 0 HA CYS A 25 20.264 13.462 -3.956 1.00 0.00 H new ATOM 0 HB2 CYS A 25 22.212 14.420 -2.785 1.00 0.00 H new ATOM 0 HB3 CYS A 25 21.281 15.650 -3.617 1.00 0.00 H new ATOM 0 HG CYS A 25 22.137 16.718 -1.147 1.00 0.00 H new ATOM 361 N LYS A 26 19.505 13.177 -0.780 1.00 0.00 N ATOM 362 CA LYS A 26 19.459 12.247 0.341 1.00 0.00 C ATOM 363 C LYS A 26 18.486 11.106 0.062 1.00 0.00 C ATOM 364 O LYS A 26 18.668 9.989 0.546 1.00 0.00 O ATOM 365 CB LYS A 26 19.049 12.979 1.621 1.00 0.00 C ATOM 366 CG LYS A 26 17.694 13.660 1.525 1.00 0.00 C ATOM 367 CD LYS A 26 17.159 14.033 2.897 1.00 0.00 C ATOM 368 CE LYS A 26 17.977 15.148 3.530 1.00 0.00 C ATOM 369 NZ LYS A 26 17.554 16.491 3.045 1.00 0.00 N ATOM 0 H LYS A 26 18.998 14.048 -0.626 1.00 0.00 H new ATOM 0 HA LYS A 26 20.456 11.827 0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.031 12.267 2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.806 13.726 1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.779 14.556 0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.987 12.997 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.119 14.348 2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.174 13.157 3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.873 15.104 4.614 1.00 0.00 H new ATOM 0 HE3 LYS A 26 19.033 14.997 3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.136 17.223 3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.677 16.542 2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.553 16.647 3.282 1.00 0.00 H new ATOM 383 N GLY A 27 17.453 11.394 -0.724 1.00 0.00 N ATOM 384 CA GLY A 27 16.467 10.381 -1.055 1.00 0.00 C ATOM 385 C GLY A 27 15.079 10.739 -0.562 1.00 0.00 C ATOM 386 O GLY A 27 14.724 11.916 -0.485 1.00 0.00 O ATOM 0 H GLY A 27 17.281 12.310 -1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.441 10.244 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.769 9.428 -0.620 1.00 0.00 H new ATOM 390 N LEU A 28 14.291 9.723 -0.229 1.00 0.00 N ATOM 391 CA LEU A 28 12.933 9.936 0.258 1.00 0.00 C ATOM 392 C LEU A 28 12.934 10.272 1.745 1.00 0.00 C ATOM 393 O LEU A 28 13.990 10.374 2.369 1.00 0.00 O ATOM 394 CB LEU A 28 12.079 8.692 0.005 1.00 0.00 C ATOM 395 CG LEU A 28 11.630 8.468 -1.439 1.00 0.00 C ATOM 396 CD1 LEU A 28 11.226 9.785 -2.083 1.00 0.00 C ATOM 397 CD2 LEU A 28 12.734 7.796 -2.242 1.00 0.00 C ATOM 0 H LEU A 28 14.569 8.743 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 28 12.506 10.779 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.643 7.817 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.192 8.751 0.635 1.00 0.00 H new ATOM 0 HG LEU A 28 10.761 7.810 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.909 9.606 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.403 10.227 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.076 10.468 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.397 7.644 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.621 8.429 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.976 6.833 -1.793 1.00 0.00 H new ATOM 409 N GLY A 29 11.742 10.442 2.310 1.00 0.00 N ATOM 410 CA GLY A 29 11.628 10.763 3.720 1.00 0.00 C ATOM 411 C GLY A 29 10.628 9.877 4.438 1.00 0.00 C ATOM 412 O GLY A 29 9.994 10.301 5.404 1.00 0.00 O ATOM 0 H GLY A 29 10.853 10.363 1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.605 10.660 4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.329 11.805 3.829 1.00 0.00 H new ATOM 416 N PHE A 30 10.486 8.644 3.963 1.00 0.00 N ATOM 417 CA PHE A 30 9.554 7.697 4.564 1.00 0.00 C ATOM 418 C PHE A 30 10.171 6.303 4.642 1.00 0.00 C ATOM 419 O PHE A 30 11.278 6.074 4.157 1.00 0.00 O ATOM 420 CB PHE A 30 8.254 7.647 3.759 1.00 0.00 C ATOM 421 CG PHE A 30 8.465 7.389 2.295 1.00 0.00 C ATOM 422 CD1 PHE A 30 8.731 8.434 1.424 1.00 0.00 C ATOM 423 CD2 PHE A 30 8.397 6.101 1.788 1.00 0.00 C ATOM 424 CE1 PHE A 30 8.925 8.198 0.076 1.00 0.00 C ATOM 425 CE2 PHE A 30 8.591 5.859 0.441 1.00 0.00 C ATOM 426 CZ PHE A 30 8.856 6.909 -0.416 1.00 0.00 C ATOM 0 H PHE A 30 11.004 8.277 3.164 1.00 0.00 H new ATOM 0 HA PHE A 30 9.333 8.035 5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.612 6.867 4.168 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.724 8.592 3.881 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.787 9.444 1.803 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.190 5.276 2.454 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.130 9.021 -0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.535 4.850 0.059 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.009 6.723 -1.469 1.00 0.00 H new ATOM 436 N SER A 31 9.444 5.375 5.257 1.00 0.00 N ATOM 437 CA SER A 31 9.920 4.005 5.403 1.00 0.00 C ATOM 438 C SER A 31 8.875 3.010 4.906 1.00 0.00 C ATOM 439 O SER A 31 7.756 3.391 4.562 1.00 0.00 O ATOM 440 CB SER A 31 10.262 3.714 6.866 1.00 0.00 C ATOM 441 OG SER A 31 11.541 4.223 7.202 1.00 0.00 O ATOM 0 H SER A 31 8.524 5.547 5.662 1.00 0.00 H new ATOM 0 HA SER A 31 10.820 3.893 4.798 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.508 4.160 7.515 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.238 2.638 7.041 1.00 0.00 H new ATOM 0 HG SER A 31 11.735 4.026 8.142 1.00 0.00 H new ATOM 447 N ILE A 32 9.249 1.736 4.872 1.00 0.00 N ATOM 448 CA ILE A 32 8.345 0.687 4.419 1.00 0.00 C ATOM 449 C ILE A 32 8.641 -0.635 5.120 1.00 0.00 C ATOM 450 O ILE A 32 9.763 -0.876 5.566 1.00 0.00 O ATOM 451 CB ILE A 32 8.442 0.480 2.895 1.00 0.00 C ATOM 452 CG1 ILE A 32 9.889 0.642 2.428 1.00 0.00 C ATOM 453 CG2 ILE A 32 7.532 1.459 2.169 1.00 0.00 C ATOM 454 CD1 ILE A 32 10.219 -0.166 1.192 1.00 0.00 C ATOM 0 H ILE A 32 10.172 1.405 5.153 1.00 0.00 H new ATOM 0 HA ILE A 32 7.335 1.011 4.670 1.00 0.00 H new ATOM 0 HB ILE A 32 8.115 -0.533 2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.081 1.696 2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.558 0.345 3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.611 1.301 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.501 1.299 2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.831 2.480 2.408 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.261 -0.003 0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.059 -1.225 1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.575 0.146 0.370 1.00 0.00 H new ATOM 466 N LEU A 33 7.627 -1.489 5.212 1.00 0.00 N ATOM 467 CA LEU A 33 7.778 -2.788 5.857 1.00 0.00 C ATOM 468 C LEU A 33 7.031 -3.870 5.084 1.00 0.00 C ATOM 469 O LEU A 33 6.303 -3.578 4.134 1.00 0.00 O ATOM 470 CB LEU A 33 7.265 -2.728 7.297 1.00 0.00 C ATOM 471 CG LEU A 33 5.782 -3.045 7.495 1.00 0.00 C ATOM 472 CD1 LEU A 33 5.473 -3.251 8.970 1.00 0.00 C ATOM 473 CD2 LEU A 33 4.918 -1.934 6.917 1.00 0.00 C ATOM 0 H LEU A 33 6.692 -1.305 4.848 1.00 0.00 H new ATOM 0 HA LEU A 33 8.838 -3.040 5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.848 -3.425 7.899 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.458 -1.729 7.689 1.00 0.00 H new ATOM 0 HG LEU A 33 5.553 -3.969 6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.413 -3.476 9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.066 -4.081 9.354 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.718 -2.344 9.523 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.866 -2.176 7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.149 -0.995 7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.119 -1.834 5.850 1.00 0.00 H new ATOM 485 N ASP A 34 7.213 -5.119 5.498 1.00 0.00 N ATOM 486 CA ASP A 34 6.553 -6.245 4.847 1.00 0.00 C ATOM 487 C ASP A 34 5.300 -6.657 5.612 1.00 0.00 C ATOM 488 O ASP A 34 5.338 -6.853 6.827 1.00 0.00 O ATOM 489 CB ASP A 34 7.512 -7.432 4.738 1.00 0.00 C ATOM 490 CG ASP A 34 8.067 -7.853 6.084 1.00 0.00 C ATOM 491 OD1 ASP A 34 8.330 -6.965 6.921 1.00 0.00 O ATOM 492 OD2 ASP A 34 8.241 -9.071 6.299 1.00 0.00 O ATOM 0 H ASP A 34 7.812 -5.378 6.282 1.00 0.00 H new ATOM 0 HA ASP A 34 6.259 -5.932 3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.992 -8.275 4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.336 -7.170 4.074 1.00 0.00 H new ATOM 497 N TYR A 35 4.190 -6.784 4.894 1.00 0.00 N ATOM 498 CA TYR A 35 2.923 -7.169 5.506 1.00 0.00 C ATOM 499 C TYR A 35 2.384 -8.452 4.881 1.00 0.00 C ATOM 500 O TYR A 35 2.708 -8.783 3.740 1.00 0.00 O ATOM 501 CB TYR A 35 1.897 -6.045 5.355 1.00 0.00 C ATOM 502 CG TYR A 35 0.887 -5.992 6.479 1.00 0.00 C ATOM 503 CD1 TYR A 35 -0.179 -6.882 6.523 1.00 0.00 C ATOM 504 CD2 TYR A 35 0.999 -5.053 7.496 1.00 0.00 C ATOM 505 CE1 TYR A 35 -1.105 -6.837 7.547 1.00 0.00 C ATOM 506 CE2 TYR A 35 0.079 -5.001 8.525 1.00 0.00 C ATOM 507 CZ TYR A 35 -0.972 -5.895 8.546 1.00 0.00 C ATOM 508 OH TYR A 35 -1.891 -5.847 9.569 1.00 0.00 O ATOM 0 H TYR A 35 4.141 -6.626 3.887 1.00 0.00 H new ATOM 0 HA TYR A 35 3.101 -7.349 6.566 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.421 -5.091 5.303 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.370 -6.171 4.409 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.285 -7.622 5.743 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.820 -4.351 7.482 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.929 -7.535 7.565 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.182 -4.265 9.309 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.652 -5.128 10.190 1.00 0.00 H new ATOM 518 N GLN A 36 1.559 -9.170 5.637 1.00 0.00 N ATOM 519 CA GLN A 36 0.974 -10.417 5.158 1.00 0.00 C ATOM 520 C GLN A 36 -0.547 -10.381 5.264 1.00 0.00 C ATOM 521 O GLN A 36 -1.098 -10.190 6.348 1.00 0.00 O ATOM 522 CB GLN A 36 1.526 -11.602 5.952 1.00 0.00 C ATOM 523 CG GLN A 36 2.767 -12.225 5.334 1.00 0.00 C ATOM 524 CD GLN A 36 3.080 -13.593 5.906 1.00 0.00 C ATOM 525 OE1 GLN A 36 4.172 -13.827 6.424 1.00 0.00 O ATOM 526 NE2 GLN A 36 2.120 -14.507 5.816 1.00 0.00 N ATOM 0 H GLN A 36 1.281 -8.910 6.583 1.00 0.00 H new ATOM 0 HA GLN A 36 1.243 -10.536 4.108 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.761 -11.272 6.964 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.751 -12.364 6.037 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.628 -12.309 4.256 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.619 -11.565 5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.230 -14.270 5.379 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.273 -15.446 6.184 1.00 0.00 H new ATOM 535 N ASP A 37 -1.218 -10.566 4.133 1.00 0.00 N ATOM 536 CA ASP A 37 -2.676 -10.555 4.100 1.00 0.00 C ATOM 537 C ASP A 37 -3.251 -11.480 5.168 1.00 0.00 C ATOM 538 O ASP A 37 -2.819 -12.621 5.334 1.00 0.00 O ATOM 539 CB ASP A 37 -3.179 -10.977 2.718 1.00 0.00 C ATOM 540 CG ASP A 37 -4.616 -10.562 2.473 1.00 0.00 C ATOM 541 OD1 ASP A 37 -5.529 -11.292 2.914 1.00 0.00 O ATOM 542 OD2 ASP A 37 -4.828 -9.506 1.841 1.00 0.00 O ATOM 0 H ASP A 37 -0.776 -10.725 3.227 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.012 -9.539 4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.541 -10.536 1.952 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.095 -12.059 2.619 1.00 0.00 H new ATOM 547 N PRO A 38 -4.248 -10.978 5.912 1.00 0.00 N ATOM 548 CA PRO A 38 -4.903 -11.742 6.977 1.00 0.00 C ATOM 549 C PRO A 38 -5.753 -12.885 6.433 1.00 0.00 C ATOM 550 O PRO A 38 -6.146 -13.788 7.173 1.00 0.00 O ATOM 551 CB PRO A 38 -5.786 -10.701 7.669 1.00 0.00 C ATOM 552 CG PRO A 38 -6.049 -9.672 6.624 1.00 0.00 C ATOM 553 CD PRO A 38 -4.813 -9.625 5.769 1.00 0.00 C ATOM 0 HA PRO A 38 -4.181 -12.217 7.641 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.714 -11.145 8.029 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.283 -10.268 8.534 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.925 -9.934 6.030 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.249 -8.700 7.075 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.051 -9.397 4.730 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.116 -8.860 6.112 1.00 0.00 H new ATOM 561 N LEU A 39 -6.035 -12.840 5.135 1.00 0.00 N ATOM 562 CA LEU A 39 -6.839 -13.873 4.491 1.00 0.00 C ATOM 563 C LEU A 39 -5.961 -14.818 3.677 1.00 0.00 C ATOM 564 O LEU A 39 -6.354 -15.946 3.381 1.00 0.00 O ATOM 565 CB LEU A 39 -7.895 -13.234 3.587 1.00 0.00 C ATOM 566 CG LEU A 39 -8.602 -12.000 4.148 1.00 0.00 C ATOM 567 CD1 LEU A 39 -9.344 -11.262 3.045 1.00 0.00 C ATOM 568 CD2 LEU A 39 -9.558 -12.394 5.265 1.00 0.00 C ATOM 0 H LEU A 39 -5.719 -12.100 4.508 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.337 -14.450 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.420 -12.959 2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.649 -13.986 3.356 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.848 -11.330 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.841 -10.387 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.636 -10.946 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.088 -11.924 2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.052 -11.503 5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.307 -13.084 4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.001 -12.877 6.067 1.00 0.00 H new ATOM 580 N ASP A 40 -4.770 -14.351 3.321 1.00 0.00 N ATOM 581 CA ASP A 40 -3.834 -15.155 2.544 1.00 0.00 C ATOM 582 C ASP A 40 -2.408 -14.977 3.057 1.00 0.00 C ATOM 583 O ASP A 40 -1.762 -13.955 2.824 1.00 0.00 O ATOM 584 CB ASP A 40 -3.908 -14.776 1.065 1.00 0.00 C ATOM 585 CG ASP A 40 -3.511 -15.920 0.153 1.00 0.00 C ATOM 586 OD1 ASP A 40 -4.217 -16.950 0.151 1.00 0.00 O ATOM 587 OD2 ASP A 40 -2.494 -15.786 -0.559 1.00 0.00 O ATOM 0 H ASP A 40 -4.429 -13.419 3.558 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.113 -16.203 2.657 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.923 -14.459 0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.255 -13.923 0.878 1.00 0.00 H new ATOM 592 N PRO A 41 -1.905 -15.993 3.774 1.00 0.00 N ATOM 593 CA PRO A 41 -0.551 -15.972 4.335 1.00 0.00 C ATOM 594 C PRO A 41 0.524 -16.070 3.259 1.00 0.00 C ATOM 595 O PRO A 41 1.651 -15.611 3.448 1.00 0.00 O ATOM 596 CB PRO A 41 -0.521 -17.210 5.235 1.00 0.00 C ATOM 597 CG PRO A 41 -1.542 -18.126 4.654 1.00 0.00 C ATOM 598 CD PRO A 41 -2.620 -17.241 4.091 1.00 0.00 C ATOM 0 HA PRO A 41 -0.342 -15.040 4.861 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.467 -17.671 5.241 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.760 -16.955 6.267 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.106 -18.753 3.876 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.944 -18.795 5.415 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.077 -17.679 3.204 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.420 -17.074 4.812 1.00 0.00 H new ATOM 606 N THR A 42 0.170 -16.672 2.128 1.00 0.00 N ATOM 607 CA THR A 42 1.105 -16.831 1.021 1.00 0.00 C ATOM 608 C THR A 42 1.194 -15.557 0.189 1.00 0.00 C ATOM 609 O THR A 42 1.779 -15.551 -0.894 1.00 0.00 O ATOM 610 CB THR A 42 0.698 -18.001 0.105 1.00 0.00 C ATOM 611 OG1 THR A 42 -0.625 -17.790 -0.400 1.00 0.00 O ATOM 612 CG2 THR A 42 0.754 -19.322 0.858 1.00 0.00 C ATOM 0 H THR A 42 -0.758 -17.058 1.954 1.00 0.00 H new ATOM 0 HA THR A 42 2.080 -17.044 1.459 1.00 0.00 H new ATOM 0 HB THR A 42 1.401 -18.045 -0.727 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.957 -16.920 -0.095 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.463 -20.134 0.191 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.769 -19.494 1.217 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.071 -19.286 1.706 1.00 0.00 H new ATOM 620 N ARG A 43 0.610 -14.479 0.702 1.00 0.00 N ATOM 621 CA ARG A 43 0.623 -13.198 0.005 1.00 0.00 C ATOM 622 C ARG A 43 1.088 -12.079 0.933 1.00 0.00 C ATOM 623 O ARG A 43 0.599 -11.946 2.055 1.00 0.00 O ATOM 624 CB ARG A 43 -0.769 -12.876 -0.541 1.00 0.00 C ATOM 625 CG ARG A 43 -1.010 -13.407 -1.945 1.00 0.00 C ATOM 626 CD ARG A 43 -2.211 -12.739 -2.595 1.00 0.00 C ATOM 627 NE ARG A 43 -2.780 -13.556 -3.663 1.00 0.00 N ATOM 628 CZ ARG A 43 -3.963 -13.317 -4.220 1.00 0.00 C ATOM 629 NH1 ARG A 43 -4.696 -12.291 -3.812 1.00 0.00 N ATOM 630 NH2 ARG A 43 -4.413 -14.106 -5.187 1.00 0.00 N ATOM 0 H ARG A 43 0.122 -14.467 1.598 1.00 0.00 H new ATOM 0 HA ARG A 43 1.324 -13.273 -0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.519 -13.294 0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.909 -11.795 -0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.123 -13.238 -2.556 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.169 -14.485 -1.905 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.973 -12.549 -1.839 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.913 -11.771 -2.998 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.240 -14.353 -4.000 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.353 -11.682 -3.069 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.603 -12.110 -4.241 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.851 -14.896 -5.503 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.321 -13.922 -5.614 1.00 0.00 H new ATOM 644 N SER A 44 2.036 -11.278 0.457 1.00 0.00 N ATOM 645 CA SER A 44 2.570 -10.174 1.245 1.00 0.00 C ATOM 646 C SER A 44 2.524 -8.870 0.454 1.00 0.00 C ATOM 647 O SER A 44 2.469 -8.878 -0.776 1.00 0.00 O ATOM 648 CB SER A 44 4.008 -10.473 1.672 1.00 0.00 C ATOM 649 OG SER A 44 4.107 -11.755 2.269 1.00 0.00 O ATOM 0 H SER A 44 2.450 -11.373 -0.470 1.00 0.00 H new ATOM 0 HA SER A 44 1.950 -10.062 2.134 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.666 -10.420 0.805 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.347 -9.713 2.376 1.00 0.00 H new ATOM 0 HG SER A 44 5.036 -11.923 2.532 1.00 0.00 H new ATOM 655 N VAL A 45 2.546 -7.750 1.170 1.00 0.00 N ATOM 656 CA VAL A 45 2.507 -6.437 0.537 1.00 0.00 C ATOM 657 C VAL A 45 3.247 -5.401 1.375 1.00 0.00 C ATOM 658 O VAL A 45 3.226 -5.453 2.605 1.00 0.00 O ATOM 659 CB VAL A 45 1.059 -5.963 0.316 1.00 0.00 C ATOM 660 CG1 VAL A 45 0.316 -6.923 -0.601 1.00 0.00 C ATOM 661 CG2 VAL A 45 0.337 -5.818 1.647 1.00 0.00 C ATOM 0 H VAL A 45 2.591 -7.726 2.189 1.00 0.00 H new ATOM 0 HA VAL A 45 3.000 -6.537 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 45 1.085 -4.986 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.706 -6.571 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.823 -6.971 -1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.298 -7.916 -0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.685 -5.482 1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.320 -6.780 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.858 -5.087 2.266 1.00 0.00 H new ATOM 671 N ILE A 46 3.901 -4.460 0.701 1.00 0.00 N ATOM 672 CA ILE A 46 4.646 -3.410 1.384 1.00 0.00 C ATOM 673 C ILE A 46 3.719 -2.296 1.856 1.00 0.00 C ATOM 674 O ILE A 46 2.810 -1.882 1.136 1.00 0.00 O ATOM 675 CB ILE A 46 5.733 -2.808 0.474 1.00 0.00 C ATOM 676 CG1 ILE A 46 6.768 -3.873 0.105 1.00 0.00 C ATOM 677 CG2 ILE A 46 6.402 -1.626 1.158 1.00 0.00 C ATOM 678 CD1 ILE A 46 7.511 -4.431 1.298 1.00 0.00 C ATOM 0 H ILE A 46 3.930 -4.404 -0.317 1.00 0.00 H new ATOM 0 HA ILE A 46 5.123 -3.873 2.248 1.00 0.00 H new ATOM 0 HB ILE A 46 5.262 -2.453 -0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.268 -4.689 -0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.487 -3.443 -0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.168 -1.212 0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.656 -0.861 1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.862 -1.957 2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.228 -5.180 0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.040 -3.625 1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.801 -4.891 1.986 1.00 0.00 H new ATOM 690 N VAL A 47 3.955 -1.811 3.071 1.00 0.00 N ATOM 691 CA VAL A 47 3.144 -0.742 3.639 1.00 0.00 C ATOM 692 C VAL A 47 4.002 0.464 4.007 1.00 0.00 C ATOM 693 O VAL A 47 5.229 0.376 4.043 1.00 0.00 O ATOM 694 CB VAL A 47 2.383 -1.218 4.891 1.00 0.00 C ATOM 695 CG1 VAL A 47 1.060 -0.481 5.025 1.00 0.00 C ATOM 696 CG2 VAL A 47 2.162 -2.722 4.839 1.00 0.00 C ATOM 0 H VAL A 47 4.702 -2.142 3.681 1.00 0.00 H new ATOM 0 HA VAL A 47 2.424 -0.452 2.874 1.00 0.00 H new ATOM 0 HB VAL A 47 2.987 -0.992 5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.537 -0.831 5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.247 0.589 5.111 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.446 -0.672 4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.623 -3.042 5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.579 -2.974 3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.125 -3.230 4.796 1.00 0.00 H new ATOM 706 N ILE A 48 3.348 1.587 4.280 1.00 0.00 N ATOM 707 CA ILE A 48 4.051 2.810 4.647 1.00 0.00 C ATOM 708 C ILE A 48 4.384 2.827 6.135 1.00 0.00 C ATOM 709 O ILE A 48 3.594 3.300 6.953 1.00 0.00 O ATOM 710 CB ILE A 48 3.222 4.062 4.303 1.00 0.00 C ATOM 711 CG1 ILE A 48 2.933 4.113 2.802 1.00 0.00 C ATOM 712 CG2 ILE A 48 3.951 5.320 4.751 1.00 0.00 C ATOM 713 CD1 ILE A 48 4.171 4.313 1.955 1.00 0.00 C ATOM 0 H ILE A 48 2.332 1.676 4.254 1.00 0.00 H new ATOM 0 HA ILE A 48 4.975 2.827 4.070 1.00 0.00 H new ATOM 0 HB ILE A 48 2.272 4.008 4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.444 3.186 2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.231 4.923 2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.352 6.196 4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.109 5.284 5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.914 5.382 4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.891 4.339 0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.650 5.254 2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.865 3.490 2.125 1.00 0.00 H new ATOM 725 N ARG A 49 5.558 2.310 6.479 1.00 0.00 N ATOM 726 CA ARG A 49 5.996 2.266 7.869 1.00 0.00 C ATOM 727 C ARG A 49 5.640 3.561 8.593 1.00 0.00 C ATOM 728 O ARG A 49 4.857 3.558 9.543 1.00 0.00 O ATOM 729 CB ARG A 49 7.506 2.027 7.943 1.00 0.00 C ATOM 730 CG ARG A 49 8.027 1.858 9.361 1.00 0.00 C ATOM 731 CD ARG A 49 7.891 0.420 9.837 1.00 0.00 C ATOM 732 NE ARG A 49 8.625 0.182 11.077 1.00 0.00 N ATOM 733 CZ ARG A 49 8.900 -1.029 11.547 1.00 0.00 C ATOM 734 NH1 ARG A 49 8.505 -2.107 10.883 1.00 0.00 N ATOM 735 NH2 ARG A 49 9.573 -1.164 12.683 1.00 0.00 N ATOM 0 H ARG A 49 6.224 1.915 5.814 1.00 0.00 H new ATOM 0 HA ARG A 49 5.479 1.441 8.360 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.753 1.136 7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.021 2.865 7.473 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.074 2.159 9.403 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.478 2.518 10.033 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.837 0.187 9.989 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.258 -0.254 9.063 1.00 0.00 H new ATOM 0 HE ARG A 49 8.944 0.990 11.611 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.989 -2.007 10.009 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.718 -3.036 11.246 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.879 -0.337 13.196 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.784 -2.095 13.043 1.00 0.00 H new ATOM 749 N SER A 50 6.219 4.667 8.136 1.00 0.00 N ATOM 750 CA SER A 50 5.966 5.969 8.743 1.00 0.00 C ATOM 751 C SER A 50 6.616 7.083 7.928 1.00 0.00 C ATOM 752 O SER A 50 7.566 6.849 7.180 1.00 0.00 O ATOM 753 CB SER A 50 6.493 5.998 10.178 1.00 0.00 C ATOM 754 OG SER A 50 5.721 6.868 10.988 1.00 0.00 O ATOM 0 H SER A 50 6.866 4.688 7.348 1.00 0.00 H new ATOM 0 HA SER A 50 4.888 6.133 8.756 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.472 4.992 10.597 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.534 6.322 10.180 1.00 0.00 H new ATOM 0 HG SER A 50 6.077 6.867 11.901 1.00 0.00 H new ATOM 760 N LEU A 51 6.096 8.297 8.078 1.00 0.00 N ATOM 761 CA LEU A 51 6.625 9.450 7.356 1.00 0.00 C ATOM 762 C LEU A 51 7.576 10.253 8.236 1.00 0.00 C ATOM 763 O LEU A 51 7.177 10.797 9.266 1.00 0.00 O ATOM 764 CB LEU A 51 5.480 10.343 6.875 1.00 0.00 C ATOM 765 CG LEU A 51 4.194 9.624 6.466 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.126 10.629 6.064 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.466 8.648 5.331 1.00 0.00 C ATOM 0 H LEU A 51 5.310 8.508 8.692 1.00 0.00 H new ATOM 0 HA LEU A 51 7.180 9.084 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.240 11.051 7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.833 10.926 6.024 1.00 0.00 H new ATOM 0 HG LEU A 51 3.828 9.059 7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.218 10.099 5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.911 11.287 6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.483 11.222 5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.539 8.146 5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.857 9.191 4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.197 7.907 5.655 1.00 0.00 H new ATOM 779 N VAL A 52 8.838 10.326 7.823 1.00 0.00 N ATOM 780 CA VAL A 52 9.846 11.067 8.571 1.00 0.00 C ATOM 781 C VAL A 52 9.422 12.516 8.779 1.00 0.00 C ATOM 782 O VAL A 52 8.692 13.083 7.967 1.00 0.00 O ATOM 783 CB VAL A 52 11.209 11.040 7.855 1.00 0.00 C ATOM 784 CG1 VAL A 52 12.249 11.809 8.656 1.00 0.00 C ATOM 785 CG2 VAL A 52 11.659 9.605 7.621 1.00 0.00 C ATOM 0 H VAL A 52 9.186 9.881 6.974 1.00 0.00 H new ATOM 0 HA VAL A 52 9.943 10.578 9.540 1.00 0.00 H new ATOM 0 HB VAL A 52 11.100 11.526 6.885 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.206 11.779 8.134 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.929 12.845 8.768 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.358 11.355 9.641 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.624 9.604 7.114 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.752 9.092 8.578 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.924 9.089 7.003 1.00 0.00 H new ATOM 795 N ALA A 53 9.886 13.111 9.874 1.00 0.00 N ATOM 796 CA ALA A 53 9.557 14.496 10.188 1.00 0.00 C ATOM 797 C ALA A 53 9.888 15.418 9.019 1.00 0.00 C ATOM 798 O ALA A 53 11.057 15.634 8.699 1.00 0.00 O ATOM 799 CB ALA A 53 10.295 14.943 11.441 1.00 0.00 C ATOM 0 H ALA A 53 10.490 12.655 10.558 1.00 0.00 H new ATOM 0 HA ALA A 53 8.484 14.556 10.371 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.040 15.979 11.663 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.005 14.310 12.279 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.370 14.861 11.279 1.00 0.00 H new ATOM 805 N ASP A 54 8.853 15.957 8.385 1.00 0.00 N ATOM 806 CA ASP A 54 9.035 16.856 7.251 1.00 0.00 C ATOM 807 C ASP A 54 9.737 16.143 6.099 1.00 0.00 C ATOM 808 O ASP A 54 10.509 16.750 5.359 1.00 0.00 O ATOM 809 CB ASP A 54 9.840 18.086 7.672 1.00 0.00 C ATOM 810 CG ASP A 54 8.994 19.110 8.403 1.00 0.00 C ATOM 811 OD1 ASP A 54 8.625 18.853 9.568 1.00 0.00 O ATOM 812 OD2 ASP A 54 8.701 20.169 7.810 1.00 0.00 O ATOM 0 H ASP A 54 7.879 15.787 8.637 1.00 0.00 H new ATOM 0 HA ASP A 54 8.050 17.175 6.911 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.664 17.775 8.314 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.281 18.548 6.789 1.00 0.00 H new ATOM 817 N GLY A 55 9.463 14.850 5.956 1.00 0.00 N ATOM 818 CA GLY A 55 10.077 14.075 4.893 1.00 0.00 C ATOM 819 C GLY A 55 9.337 14.208 3.577 1.00 0.00 C ATOM 820 O GLY A 55 8.135 14.474 3.556 1.00 0.00 O ATOM 0 H GLY A 55 8.827 14.325 6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.109 14.400 4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.108 13.025 5.184 1.00 0.00 H new ATOM 824 N VAL A 56 10.056 14.022 2.474 1.00 0.00 N ATOM 825 CA VAL A 56 9.460 14.123 1.147 1.00 0.00 C ATOM 826 C VAL A 56 8.031 13.593 1.145 1.00 0.00 C ATOM 827 O VAL A 56 7.154 14.146 0.481 1.00 0.00 O ATOM 828 CB VAL A 56 10.284 13.348 0.102 1.00 0.00 C ATOM 829 CG1 VAL A 56 9.633 13.444 -1.270 1.00 0.00 C ATOM 830 CG2 VAL A 56 11.714 13.867 0.060 1.00 0.00 C ATOM 0 H VAL A 56 11.052 13.801 2.473 1.00 0.00 H new ATOM 0 HA VAL A 56 9.453 15.180 0.883 1.00 0.00 H new ATOM 0 HB VAL A 56 10.311 12.298 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.229 12.890 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.629 13.021 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.573 14.490 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.282 13.308 -0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.710 14.924 -0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.176 13.741 1.039 1.00 0.00 H new ATOM 840 N ALA A 57 7.802 12.519 1.893 1.00 0.00 N ATOM 841 CA ALA A 57 6.478 11.916 1.980 1.00 0.00 C ATOM 842 C ALA A 57 5.454 12.913 2.512 1.00 0.00 C ATOM 843 O ALA A 57 4.541 13.320 1.795 1.00 0.00 O ATOM 844 CB ALA A 57 6.519 10.677 2.862 1.00 0.00 C ATOM 0 H ALA A 57 8.517 12.048 2.448 1.00 0.00 H new ATOM 0 HA ALA A 57 6.173 11.623 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.523 10.237 2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.213 9.951 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.850 10.954 3.863 1.00 0.00 H new ATOM 850 N GLU A 58 5.614 13.301 3.773 1.00 0.00 N ATOM 851 CA GLU A 58 4.701 14.249 4.401 1.00 0.00 C ATOM 852 C GLU A 58 4.690 15.575 3.645 1.00 0.00 C ATOM 853 O GLU A 58 3.632 16.156 3.405 1.00 0.00 O ATOM 854 CB GLU A 58 5.098 14.484 5.860 1.00 0.00 C ATOM 855 CG GLU A 58 4.088 15.308 6.641 1.00 0.00 C ATOM 856 CD GLU A 58 3.748 16.617 5.956 1.00 0.00 C ATOM 857 OE1 GLU A 58 4.686 17.328 5.537 1.00 0.00 O ATOM 858 OE2 GLU A 58 2.545 16.931 5.838 1.00 0.00 O ATOM 0 H GLU A 58 6.366 12.974 4.379 1.00 0.00 H new ATOM 0 HA GLU A 58 3.698 13.824 4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.226 13.520 6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.064 14.987 5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.177 14.726 6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.484 15.515 7.635 1.00 0.00 H new ATOM 865 N ARG A 59 5.876 16.048 3.275 1.00 0.00 N ATOM 866 CA ARG A 59 6.004 17.306 2.549 1.00 0.00 C ATOM 867 C ARG A 59 4.945 17.412 1.455 1.00 0.00 C ATOM 868 O ARG A 59 4.116 18.322 1.465 1.00 0.00 O ATOM 869 CB ARG A 59 7.400 17.425 1.935 1.00 0.00 C ATOM 870 CG ARG A 59 8.492 17.698 2.956 1.00 0.00 C ATOM 871 CD ARG A 59 9.838 17.926 2.285 1.00 0.00 C ATOM 872 NE ARG A 59 10.695 18.814 3.065 1.00 0.00 N ATOM 873 CZ ARG A 59 11.868 19.267 2.636 1.00 0.00 C ATOM 874 NH1 ARG A 59 12.320 18.917 1.440 1.00 0.00 N ATOM 875 NH2 ARG A 59 12.591 20.072 3.404 1.00 0.00 N ATOM 0 H ARG A 59 6.761 15.579 3.466 1.00 0.00 H new ATOM 0 HA ARG A 59 5.855 18.122 3.256 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.634 16.503 1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.396 18.227 1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.227 18.573 3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.566 16.857 3.645 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.340 16.969 2.145 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.681 18.352 1.294 1.00 0.00 H new ATOM 0 HE ARG A 59 10.376 19.102 3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.767 18.299 0.847 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.221 19.266 1.113 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.246 20.344 4.325 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.491 20.419 3.074 1.00 0.00 H new ATOM 889 N SER A 60 4.979 16.475 0.512 1.00 0.00 N ATOM 890 CA SER A 60 4.026 16.466 -0.591 1.00 0.00 C ATOM 891 C SER A 60 2.592 16.445 -0.070 1.00 0.00 C ATOM 892 O SER A 60 1.713 17.114 -0.611 1.00 0.00 O ATOM 893 CB SER A 60 4.270 15.255 -1.493 1.00 0.00 C ATOM 894 OG SER A 60 3.689 14.085 -0.945 1.00 0.00 O ATOM 0 H SER A 60 5.656 15.713 0.490 1.00 0.00 H new ATOM 0 HA SER A 60 4.170 17.378 -1.171 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.851 15.444 -2.482 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.342 15.105 -1.624 1.00 0.00 H new ATOM 0 HG SER A 60 4.033 13.943 -0.038 1.00 0.00 H new ATOM 900 N GLY A 61 2.364 15.670 0.987 1.00 0.00 N ATOM 901 CA GLY A 61 1.036 15.576 1.564 1.00 0.00 C ATOM 902 C GLY A 61 0.147 14.601 0.818 1.00 0.00 C ATOM 903 O GLY A 61 -1.002 14.911 0.507 1.00 0.00 O ATOM 0 H GLY A 61 3.075 15.106 1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.117 15.265 2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.571 16.562 1.561 1.00 0.00 H new ATOM 907 N GLY A 62 0.681 13.419 0.527 1.00 0.00 N ATOM 908 CA GLY A 62 -0.086 12.414 -0.187 1.00 0.00 C ATOM 909 C GLY A 62 0.057 11.034 0.422 1.00 0.00 C ATOM 910 O GLY A 62 -0.858 10.214 0.343 1.00 0.00 O ATOM 0 H GLY A 62 1.631 13.139 0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.138 12.699 -0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.239 12.384 -1.227 1.00 0.00 H new ATOM 914 N LEU A 63 1.209 10.774 1.030 1.00 0.00 N ATOM 915 CA LEU A 63 1.471 9.482 1.655 1.00 0.00 C ATOM 916 C LEU A 63 1.033 9.484 3.116 1.00 0.00 C ATOM 917 O LEU A 63 0.900 10.542 3.733 1.00 0.00 O ATOM 918 CB LEU A 63 2.958 9.137 1.556 1.00 0.00 C ATOM 919 CG LEU A 63 3.414 8.502 0.242 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.330 9.509 -0.895 1.00 0.00 C ATOM 921 CD2 LEU A 63 4.830 7.961 0.374 1.00 0.00 C ATOM 0 H LEU A 63 1.977 11.441 1.104 1.00 0.00 H new ATOM 0 HA LEU A 63 0.893 8.726 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.533 10.049 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.208 8.457 2.371 1.00 0.00 H new ATOM 0 HG LEU A 63 2.748 7.670 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.658 9.039 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.300 9.848 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.971 10.362 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.138 7.513 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.509 8.776 0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.859 7.207 1.160 1.00 0.00 H new ATOM 933 N LEU A 64 0.813 8.295 3.664 1.00 0.00 N ATOM 934 CA LEU A 64 0.393 8.159 5.055 1.00 0.00 C ATOM 935 C LEU A 64 0.808 6.804 5.619 1.00 0.00 C ATOM 936 O LEU A 64 0.904 5.808 4.902 1.00 0.00 O ATOM 937 CB LEU A 64 -1.123 8.329 5.169 1.00 0.00 C ATOM 938 CG LEU A 64 -1.673 9.707 4.800 1.00 0.00 C ATOM 939 CD1 LEU A 64 -3.187 9.658 4.660 1.00 0.00 C ATOM 940 CD2 LEU A 64 -1.265 10.741 5.840 1.00 0.00 C ATOM 0 H LEU A 64 0.918 7.410 3.167 1.00 0.00 H new ATOM 0 HA LEU A 64 0.885 8.939 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.601 7.586 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.418 8.105 6.194 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.249 10.000 3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.560 10.648 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.457 8.949 3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.630 9.342 5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.665 11.716 5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.659 10.452 6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.178 10.797 5.891 1.00 0.00 H new ATOM 952 N PRO A 65 1.059 6.763 6.936 1.00 0.00 N ATOM 953 CA PRO A 65 1.465 5.536 7.627 1.00 0.00 C ATOM 954 C PRO A 65 0.333 4.517 7.712 1.00 0.00 C ATOM 955 O PRO A 65 -0.701 4.773 8.327 1.00 0.00 O ATOM 956 CB PRO A 65 1.848 6.026 9.026 1.00 0.00 C ATOM 957 CG PRO A 65 1.069 7.282 9.214 1.00 0.00 C ATOM 958 CD PRO A 65 0.965 7.912 7.853 1.00 0.00 C ATOM 0 HA PRO A 65 2.272 5.023 7.104 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.597 5.287 9.787 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.920 6.210 9.101 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.081 7.071 9.623 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.568 7.950 9.916 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.024 8.449 7.730 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.767 8.630 7.681 1.00 0.00 H new ATOM 966 N GLY A 66 0.537 3.360 7.089 1.00 0.00 N ATOM 967 CA GLY A 66 -0.474 2.320 7.107 1.00 0.00 C ATOM 968 C GLY A 66 -0.966 1.965 5.717 1.00 0.00 C ATOM 969 O GLY A 66 -1.511 0.883 5.502 1.00 0.00 O ATOM 0 H GLY A 66 1.384 3.125 6.572 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.065 1.429 7.583 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.317 2.648 7.715 1.00 0.00 H new ATOM 973 N ASP A 67 -0.774 2.879 4.773 1.00 0.00 N ATOM 974 CA ASP A 67 -1.202 2.658 3.396 1.00 0.00 C ATOM 975 C ASP A 67 -0.287 1.657 2.697 1.00 0.00 C ATOM 976 O ASP A 67 0.921 1.634 2.934 1.00 0.00 O ATOM 977 CB ASP A 67 -1.217 3.979 2.626 1.00 0.00 C ATOM 978 CG ASP A 67 -2.060 5.038 3.308 1.00 0.00 C ATOM 979 OD1 ASP A 67 -1.740 5.400 4.460 1.00 0.00 O ATOM 980 OD2 ASP A 67 -3.040 5.504 2.691 1.00 0.00 O ATOM 0 H ASP A 67 -0.325 3.780 4.935 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.211 2.247 3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.196 4.345 2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.601 3.806 1.621 1.00 0.00 H new ATOM 985 N ARG A 68 -0.872 0.831 1.836 1.00 0.00 N ATOM 986 CA ARG A 68 -0.110 -0.174 1.104 1.00 0.00 C ATOM 987 C ARG A 68 0.468 0.411 -0.182 1.00 0.00 C ATOM 988 O ARG A 68 -0.242 1.051 -0.959 1.00 0.00 O ATOM 989 CB ARG A 68 -0.995 -1.378 0.776 1.00 0.00 C ATOM 990 CG ARG A 68 -0.348 -2.368 -0.178 1.00 0.00 C ATOM 991 CD ARG A 68 -0.659 -2.030 -1.627 1.00 0.00 C ATOM 992 NE ARG A 68 -0.282 -3.111 -2.534 1.00 0.00 N ATOM 993 CZ ARG A 68 -0.968 -4.242 -2.656 1.00 0.00 C ATOM 994 NH1 ARG A 68 -2.061 -4.439 -1.932 1.00 0.00 N ATOM 995 NH2 ARG A 68 -0.562 -5.179 -3.503 1.00 0.00 N ATOM 0 H ARG A 68 -1.871 0.838 1.628 1.00 0.00 H new ATOM 0 HA ARG A 68 0.715 -0.500 1.738 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.251 -1.893 1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.929 -1.024 0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.731 -2.368 -0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.701 -3.375 0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.724 -1.825 -1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.130 -1.119 -1.908 1.00 0.00 H new ATOM 0 HE ARG A 68 0.554 -2.991 -3.105 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.377 -3.721 -1.280 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.586 -5.308 -2.027 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.278 -5.032 -4.062 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.090 -6.047 -3.595 1.00 0.00 H new ATOM 1009 N LEU A 69 1.759 0.188 -0.400 1.00 0.00 N ATOM 1010 CA LEU A 69 2.432 0.693 -1.591 1.00 0.00 C ATOM 1011 C LEU A 69 2.275 -0.276 -2.758 1.00 0.00 C ATOM 1012 O LEU A 69 2.413 -1.488 -2.595 1.00 0.00 O ATOM 1013 CB LEU A 69 3.916 0.925 -1.302 1.00 0.00 C ATOM 1014 CG LEU A 69 4.775 1.345 -2.496 1.00 0.00 C ATOM 1015 CD1 LEU A 69 4.157 2.541 -3.203 1.00 0.00 C ATOM 1016 CD2 LEU A 69 6.194 1.662 -2.047 1.00 0.00 C ATOM 0 H LEU A 69 2.361 -0.339 0.233 1.00 0.00 H new ATOM 0 HA LEU A 69 1.969 1.641 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.000 1.692 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.332 0.008 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 69 4.816 0.514 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.782 2.826 -4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.161 2.278 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.085 3.377 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.791 1.959 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.173 2.476 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.636 0.778 -1.587 1.00 0.00 H new ATOM 1028 N VAL A 70 1.985 0.267 -3.937 1.00 0.00 N ATOM 1029 CA VAL A 70 1.812 -0.549 -5.132 1.00 0.00 C ATOM 1030 C VAL A 70 3.093 -0.591 -5.959 1.00 0.00 C ATOM 1031 O VAL A 70 3.588 -1.665 -6.301 1.00 0.00 O ATOM 1032 CB VAL A 70 0.664 -0.020 -6.012 1.00 0.00 C ATOM 1033 CG1 VAL A 70 0.508 -0.876 -7.259 1.00 0.00 C ATOM 1034 CG2 VAL A 70 -0.635 0.025 -5.221 1.00 0.00 C ATOM 0 H VAL A 70 1.865 1.268 -4.089 1.00 0.00 H new ATOM 0 HA VAL A 70 1.567 -1.556 -4.794 1.00 0.00 H new ATOM 0 HB VAL A 70 0.908 0.995 -6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.308 -0.487 -7.868 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.433 -0.853 -7.834 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.286 -1.903 -6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.436 0.401 -5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.886 -0.978 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.515 0.684 -4.361 1.00 0.00 H new ATOM 1044 N SER A 71 3.624 0.585 -6.277 1.00 0.00 N ATOM 1045 CA SER A 71 4.846 0.683 -7.067 1.00 0.00 C ATOM 1046 C SER A 71 5.563 2.001 -6.796 1.00 0.00 C ATOM 1047 O SER A 71 5.006 2.910 -6.180 1.00 0.00 O ATOM 1048 CB SER A 71 4.525 0.561 -8.558 1.00 0.00 C ATOM 1049 OG SER A 71 3.339 1.265 -8.884 1.00 0.00 O ATOM 0 H SER A 71 3.228 1.483 -6.000 1.00 0.00 H new ATOM 0 HA SER A 71 5.505 -0.135 -6.776 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.356 0.951 -9.145 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.412 -0.490 -8.824 1.00 0.00 H new ATOM 0 HG SER A 71 3.157 1.173 -9.843 1.00 0.00 H new ATOM 1055 N VAL A 72 6.805 2.099 -7.261 1.00 0.00 N ATOM 1056 CA VAL A 72 7.601 3.306 -7.070 1.00 0.00 C ATOM 1057 C VAL A 72 8.445 3.608 -8.303 1.00 0.00 C ATOM 1058 O VAL A 72 9.416 2.909 -8.589 1.00 0.00 O ATOM 1059 CB VAL A 72 8.526 3.180 -5.846 1.00 0.00 C ATOM 1060 CG1 VAL A 72 9.462 4.376 -5.758 1.00 0.00 C ATOM 1061 CG2 VAL A 72 7.707 3.039 -4.572 1.00 0.00 C ATOM 0 H VAL A 72 7.282 1.357 -7.773 1.00 0.00 H new ATOM 0 HA VAL A 72 6.901 4.124 -6.904 1.00 0.00 H new ATOM 0 HB VAL A 72 9.133 2.282 -5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.108 4.269 -4.887 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.073 4.427 -6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.876 5.290 -5.665 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.377 2.951 -3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.073 3.917 -4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.083 2.148 -4.637 1.00 0.00 H new ATOM 1071 N ASN A 73 8.068 4.654 -9.030 1.00 0.00 N ATOM 1072 CA ASN A 73 8.790 5.050 -10.233 1.00 0.00 C ATOM 1073 C ASN A 73 8.755 3.939 -11.279 1.00 0.00 C ATOM 1074 O ASN A 73 9.780 3.595 -11.867 1.00 0.00 O ATOM 1075 CB ASN A 73 10.241 5.398 -9.891 1.00 0.00 C ATOM 1076 CG ASN A 73 10.417 6.863 -9.542 1.00 0.00 C ATOM 1077 OD1 ASN A 73 9.447 7.565 -9.254 1.00 0.00 O ATOM 1078 ND2 ASN A 73 11.659 7.331 -9.565 1.00 0.00 N ATOM 0 H ASN A 73 7.266 5.243 -8.807 1.00 0.00 H new ATOM 0 HA ASN A 73 8.300 5.931 -10.647 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.571 4.785 -9.052 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.881 5.150 -10.738 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.840 8.309 -9.338 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.433 6.713 -9.809 1.00 0.00 H new ATOM 1085 N GLU A 74 7.569 3.383 -11.504 1.00 0.00 N ATOM 1086 CA GLU A 74 7.401 2.311 -12.478 1.00 0.00 C ATOM 1087 C GLU A 74 8.065 1.026 -11.993 1.00 0.00 C ATOM 1088 O GLU A 74 8.874 0.427 -12.702 1.00 0.00 O ATOM 1089 CB GLU A 74 7.988 2.724 -13.830 1.00 0.00 C ATOM 1090 CG GLU A 74 7.343 2.023 -15.013 1.00 0.00 C ATOM 1091 CD GLU A 74 7.893 2.498 -16.344 1.00 0.00 C ATOM 1092 OE1 GLU A 74 9.115 2.745 -16.427 1.00 0.00 O ATOM 1093 OE2 GLU A 74 7.102 2.623 -17.302 1.00 0.00 O ATOM 0 H GLU A 74 6.711 3.657 -11.025 1.00 0.00 H new ATOM 0 HA GLU A 74 6.333 2.125 -12.595 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.876 3.801 -13.951 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.057 2.513 -13.832 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.499 0.948 -14.923 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.266 2.192 -14.988 1.00 0.00 H new ATOM 1100 N TYR A 75 7.718 0.609 -10.781 1.00 0.00 N ATOM 1101 CA TYR A 75 8.282 -0.603 -10.199 1.00 0.00 C ATOM 1102 C TYR A 75 7.201 -1.433 -9.513 1.00 0.00 C ATOM 1103 O TYR A 75 6.604 -1.001 -8.526 1.00 0.00 O ATOM 1104 CB TYR A 75 9.381 -0.249 -9.196 1.00 0.00 C ATOM 1105 CG TYR A 75 10.758 -0.158 -9.814 1.00 0.00 C ATOM 1106 CD1 TYR A 75 11.560 -1.285 -9.941 1.00 0.00 C ATOM 1107 CD2 TYR A 75 11.258 1.056 -10.269 1.00 0.00 C ATOM 1108 CE1 TYR A 75 12.819 -1.207 -10.505 1.00 0.00 C ATOM 1109 CE2 TYR A 75 12.515 1.143 -10.835 1.00 0.00 C ATOM 1110 CZ TYR A 75 13.292 0.009 -10.950 1.00 0.00 C ATOM 1111 OH TYR A 75 14.545 0.093 -11.512 1.00 0.00 O ATOM 0 H TYR A 75 7.049 1.092 -10.182 1.00 0.00 H new ATOM 0 HA TYR A 75 8.713 -1.196 -11.006 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.139 0.704 -8.726 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.395 -0.999 -8.406 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.193 -2.239 -9.593 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.654 1.946 -10.179 1.00 0.00 H new ATOM 0 HE1 TYR A 75 13.429 -2.094 -10.597 1.00 0.00 H new ATOM 0 HE2 TYR A 75 12.888 2.094 -11.186 1.00 0.00 H new ATOM 0 HH TYR A 75 14.725 1.020 -11.774 1.00 0.00 H new ATOM 1121 N CYS A 76 6.954 -2.625 -10.043 1.00 0.00 N ATOM 1122 CA CYS A 76 5.945 -3.517 -9.484 1.00 0.00 C ATOM 1123 C CYS A 76 6.415 -4.106 -8.157 1.00 0.00 C ATOM 1124 O CYS A 76 7.151 -5.092 -8.129 1.00 0.00 O ATOM 1125 CB CYS A 76 5.625 -4.642 -10.470 1.00 0.00 C ATOM 1126 SG CYS A 76 4.719 -4.101 -11.938 1.00 0.00 S ATOM 0 H CYS A 76 7.439 -2.997 -10.860 1.00 0.00 H new ATOM 0 HA CYS A 76 5.041 -2.935 -9.303 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.557 -5.112 -10.784 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.041 -5.406 -9.956 1.00 0.00 H new ATOM 0 HG CYS A 76 4.497 -5.122 -12.712 1.00 0.00 H new ATOM 1132 N LEU A 77 5.985 -3.493 -7.059 1.00 0.00 N ATOM 1133 CA LEU A 77 6.363 -3.955 -5.728 1.00 0.00 C ATOM 1134 C LEU A 77 5.314 -4.909 -5.165 1.00 0.00 C ATOM 1135 O LEU A 77 5.139 -5.008 -3.950 1.00 0.00 O ATOM 1136 CB LEU A 77 6.544 -2.764 -4.786 1.00 0.00 C ATOM 1137 CG LEU A 77 7.492 -1.665 -5.268 1.00 0.00 C ATOM 1138 CD1 LEU A 77 7.470 -0.484 -4.310 1.00 0.00 C ATOM 1139 CD2 LEU A 77 8.905 -2.208 -5.416 1.00 0.00 C ATOM 0 H LEU A 77 5.375 -2.676 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 77 7.308 -4.492 -5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.566 -2.318 -4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.908 -3.136 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 77 7.152 -1.320 -6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.150 0.288 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.459 -0.080 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.785 -0.813 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.566 -1.413 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.255 -2.580 -4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.908 -3.021 -6.142 1.00 0.00 H new ATOM 1151 N ASP A 78 4.620 -5.609 -6.055 1.00 0.00 N ATOM 1152 CA ASP A 78 3.590 -6.558 -5.647 1.00 0.00 C ATOM 1153 C ASP A 78 4.216 -7.836 -5.097 1.00 0.00 C ATOM 1154 O ASP A 78 4.887 -8.571 -5.820 1.00 0.00 O ATOM 1155 CB ASP A 78 2.676 -6.890 -6.827 1.00 0.00 C ATOM 1156 CG ASP A 78 1.818 -5.712 -7.244 1.00 0.00 C ATOM 1157 OD1 ASP A 78 2.358 -4.777 -7.872 1.00 0.00 O ATOM 1158 OD2 ASP A 78 0.606 -5.724 -6.941 1.00 0.00 O ATOM 0 H ASP A 78 4.752 -5.538 -7.064 1.00 0.00 H new ATOM 0 HA ASP A 78 2.997 -6.096 -4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.283 -7.212 -7.674 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.032 -7.728 -6.560 1.00 0.00 H new ATOM 1163 N ASN A 79 3.992 -8.093 -3.813 1.00 0.00 N ATOM 1164 CA ASN A 79 4.536 -9.282 -3.165 1.00 0.00 C ATOM 1165 C ASN A 79 6.061 -9.266 -3.191 1.00 0.00 C ATOM 1166 O ASN A 79 6.698 -10.259 -3.542 1.00 0.00 O ATOM 1167 CB ASN A 79 4.016 -10.546 -3.854 1.00 0.00 C ATOM 1168 CG ASN A 79 2.539 -10.458 -4.186 1.00 0.00 C ATOM 1169 OD1 ASN A 79 1.717 -10.134 -3.329 1.00 0.00 O ATOM 1170 ND2 ASN A 79 2.196 -10.746 -5.436 1.00 0.00 N ATOM 0 H ASN A 79 3.438 -7.495 -3.200 1.00 0.00 H new ATOM 0 HA ASN A 79 4.208 -9.281 -2.125 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.582 -10.716 -4.770 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.190 -11.406 -3.208 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.217 -10.703 -5.719 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.912 -11.010 -6.113 1.00 0.00 H new ATOM 1177 N THR A 80 6.642 -8.130 -2.816 1.00 0.00 N ATOM 1178 CA THR A 80 8.092 -7.983 -2.796 1.00 0.00 C ATOM 1179 C THR A 80 8.632 -8.054 -1.372 1.00 0.00 C ATOM 1180 O THR A 80 7.984 -7.599 -0.429 1.00 0.00 O ATOM 1181 CB THR A 80 8.530 -6.652 -3.434 1.00 0.00 C ATOM 1182 OG1 THR A 80 7.906 -6.492 -4.713 1.00 0.00 O ATOM 1183 CG2 THR A 80 10.043 -6.600 -3.592 1.00 0.00 C ATOM 0 H THR A 80 6.130 -7.298 -2.522 1.00 0.00 H new ATOM 0 HA THR A 80 8.502 -8.808 -3.378 1.00 0.00 H new ATOM 0 HB THR A 80 8.221 -5.840 -2.776 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.584 -6.259 -5.381 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.329 -5.651 -4.045 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.514 -6.692 -2.614 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.370 -7.420 -4.231 1.00 0.00 H new ATOM 1191 N SER A 81 9.823 -8.626 -1.223 1.00 0.00 N ATOM 1192 CA SER A 81 10.449 -8.758 0.087 1.00 0.00 C ATOM 1193 C SER A 81 10.972 -7.412 0.578 1.00 0.00 C ATOM 1194 O SER A 81 11.591 -6.660 -0.177 1.00 0.00 O ATOM 1195 CB SER A 81 11.593 -9.772 0.029 1.00 0.00 C ATOM 1196 OG SER A 81 11.100 -11.100 0.050 1.00 0.00 O ATOM 0 H SER A 81 10.373 -9.005 -1.994 1.00 0.00 H new ATOM 0 HA SER A 81 9.694 -9.112 0.789 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.179 -9.613 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.264 -9.617 0.874 1.00 0.00 H new ATOM 0 HG SER A 81 11.851 -11.728 0.010 1.00 0.00 H new ATOM 1202 N LEU A 82 10.718 -7.113 1.847 1.00 0.00 N ATOM 1203 CA LEU A 82 11.162 -5.856 2.441 1.00 0.00 C ATOM 1204 C LEU A 82 12.529 -5.451 1.898 1.00 0.00 C ATOM 1205 O LEU A 82 12.718 -4.323 1.444 1.00 0.00 O ATOM 1206 CB LEU A 82 11.223 -5.983 3.964 1.00 0.00 C ATOM 1207 CG LEU A 82 12.014 -4.899 4.697 1.00 0.00 C ATOM 1208 CD1 LEU A 82 11.449 -3.522 4.383 1.00 0.00 C ATOM 1209 CD2 LEU A 82 12.004 -5.153 6.197 1.00 0.00 C ATOM 0 H LEU A 82 10.207 -7.723 2.485 1.00 0.00 H new ATOM 0 HA LEU A 82 10.442 -5.082 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.203 -5.984 4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.658 -6.952 4.211 1.00 0.00 H new ATOM 0 HG LEU A 82 13.047 -4.933 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.024 -2.763 4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.510 -3.340 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.407 -3.475 4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.572 -4.372 6.702 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.976 -5.147 6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.457 -6.122 6.405 1.00 0.00 H new ATOM 1221 N ALA A 83 13.478 -6.380 1.946 1.00 0.00 N ATOM 1222 CA ALA A 83 14.826 -6.120 1.456 1.00 0.00 C ATOM 1223 C ALA A 83 14.798 -5.593 0.025 1.00 0.00 C ATOM 1224 O ALA A 83 15.482 -4.624 -0.302 1.00 0.00 O ATOM 1225 CB ALA A 83 15.670 -7.384 1.538 1.00 0.00 C ATOM 0 H ALA A 83 13.338 -7.319 2.319 1.00 0.00 H new ATOM 0 HA ALA A 83 15.275 -5.354 2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.674 -7.176 1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.726 -7.717 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.215 -8.166 0.930 1.00 0.00 H new ATOM 1231 N GLU A 84 14.002 -6.237 -0.822 1.00 0.00 N ATOM 1232 CA GLU A 84 13.886 -5.832 -2.219 1.00 0.00 C ATOM 1233 C GLU A 84 13.239 -4.455 -2.334 1.00 0.00 C ATOM 1234 O GLU A 84 13.673 -3.618 -3.126 1.00 0.00 O ATOM 1235 CB GLU A 84 13.069 -6.859 -3.005 1.00 0.00 C ATOM 1236 CG GLU A 84 13.909 -7.970 -3.612 1.00 0.00 C ATOM 1237 CD GLU A 84 13.310 -8.522 -4.891 1.00 0.00 C ATOM 1238 OE1 GLU A 84 12.069 -8.636 -4.965 1.00 0.00 O ATOM 1239 OE2 GLU A 84 14.084 -8.839 -5.819 1.00 0.00 O ATOM 0 H GLU A 84 13.428 -7.041 -0.566 1.00 0.00 H new ATOM 0 HA GLU A 84 14.890 -5.779 -2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.322 -7.299 -2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.528 -6.348 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.910 -7.592 -3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.016 -8.777 -2.887 1.00 0.00 H new ATOM 1246 N ALA A 85 12.199 -4.228 -1.539 1.00 0.00 N ATOM 1247 CA ALA A 85 11.493 -2.953 -1.550 1.00 0.00 C ATOM 1248 C ALA A 85 12.422 -1.807 -1.162 1.00 0.00 C ATOM 1249 O ALA A 85 12.490 -0.789 -1.851 1.00 0.00 O ATOM 1250 CB ALA A 85 10.295 -3.004 -0.613 1.00 0.00 C ATOM 0 H ALA A 85 11.827 -4.911 -0.879 1.00 0.00 H new ATOM 0 HA ALA A 85 11.139 -2.771 -2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.777 -2.045 -0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.613 -3.791 -0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.635 -3.213 0.401 1.00 0.00 H new ATOM 1256 N VAL A 86 13.136 -1.980 -0.055 1.00 0.00 N ATOM 1257 CA VAL A 86 14.062 -0.960 0.425 1.00 0.00 C ATOM 1258 C VAL A 86 15.104 -0.623 -0.635 1.00 0.00 C ATOM 1259 O VAL A 86 15.391 0.547 -0.886 1.00 0.00 O ATOM 1260 CB VAL A 86 14.780 -1.414 1.710 1.00 0.00 C ATOM 1261 CG1 VAL A 86 15.870 -0.423 2.090 1.00 0.00 C ATOM 1262 CG2 VAL A 86 13.782 -1.584 2.845 1.00 0.00 C ATOM 0 H VAL A 86 13.092 -2.817 0.527 1.00 0.00 H new ATOM 0 HA VAL A 86 13.470 -0.071 0.644 1.00 0.00 H new ATOM 0 HB VAL A 86 15.250 -2.380 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.367 -0.760 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.599 -0.356 1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.427 0.558 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.306 -1.905 3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.282 -0.634 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.042 -2.335 2.569 1.00 0.00 H new ATOM 1272 N GLU A 87 15.667 -1.656 -1.253 1.00 0.00 N ATOM 1273 CA GLU A 87 16.679 -1.468 -2.287 1.00 0.00 C ATOM 1274 C GLU A 87 16.112 -0.685 -3.467 1.00 0.00 C ATOM 1275 O GLU A 87 16.797 0.153 -4.056 1.00 0.00 O ATOM 1276 CB GLU A 87 17.209 -2.821 -2.765 1.00 0.00 C ATOM 1277 CG GLU A 87 18.294 -3.401 -1.873 1.00 0.00 C ATOM 1278 CD GLU A 87 19.677 -2.896 -2.235 1.00 0.00 C ATOM 1279 OE1 GLU A 87 20.074 -1.829 -1.721 1.00 0.00 O ATOM 1280 OE2 GLU A 87 20.364 -3.569 -3.032 1.00 0.00 O ATOM 0 H GLU A 87 15.440 -2.631 -1.056 1.00 0.00 H new ATOM 0 HA GLU A 87 17.501 -0.896 -1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.380 -3.527 -2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.602 -2.711 -3.776 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.079 -3.149 -0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.277 -4.488 -1.947 1.00 0.00 H new ATOM 1287 N ILE A 88 14.859 -0.964 -3.807 1.00 0.00 N ATOM 1288 CA ILE A 88 14.200 -0.286 -4.917 1.00 0.00 C ATOM 1289 C ILE A 88 14.058 1.208 -4.642 1.00 0.00 C ATOM 1290 O ILE A 88 14.253 2.035 -5.533 1.00 0.00 O ATOM 1291 CB ILE A 88 12.806 -0.880 -5.192 1.00 0.00 C ATOM 1292 CG1 ILE A 88 12.934 -2.282 -5.792 1.00 0.00 C ATOM 1293 CG2 ILE A 88 12.016 0.030 -6.121 1.00 0.00 C ATOM 1294 CD1 ILE A 88 11.748 -3.174 -5.504 1.00 0.00 C ATOM 0 H ILE A 88 14.279 -1.655 -3.330 1.00 0.00 H new ATOM 0 HA ILE A 88 14.829 -0.434 -5.795 1.00 0.00 H new ATOM 0 HB ILE A 88 12.268 -0.958 -4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.060 -2.196 -6.871 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.836 -2.754 -5.402 1.00 0.00 H new ATOM 0 HG21 ILE A 88 11.033 -0.404 -6.306 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.899 1.010 -5.658 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.549 0.137 -7.066 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.908 -4.151 -5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.634 -3.291 -4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.846 -2.724 -5.918 1.00 0.00 H new ATOM 1306 N LEU A 89 13.718 1.546 -3.403 1.00 0.00 N ATOM 1307 CA LEU A 89 13.552 2.940 -3.009 1.00 0.00 C ATOM 1308 C LEU A 89 14.901 3.647 -2.923 1.00 0.00 C ATOM 1309 O LEU A 89 14.998 4.853 -3.147 1.00 0.00 O ATOM 1310 CB LEU A 89 12.831 3.028 -1.662 1.00 0.00 C ATOM 1311 CG LEU A 89 11.305 3.101 -1.722 1.00 0.00 C ATOM 1312 CD1 LEU A 89 10.705 2.853 -0.346 1.00 0.00 C ATOM 1313 CD2 LEU A 89 10.856 4.449 -2.267 1.00 0.00 C ATOM 0 H LEU A 89 13.552 0.874 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 89 12.950 3.437 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.110 2.159 -1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.197 3.908 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 89 10.949 2.323 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.618 2.909 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.998 1.864 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.068 3.608 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.767 4.483 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.223 5.244 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.256 4.587 -3.271 1.00 0.00 H new ATOM 1325 N LYS A 90 15.941 2.886 -2.599 1.00 0.00 N ATOM 1326 CA LYS A 90 17.287 3.437 -2.487 1.00 0.00 C ATOM 1327 C LYS A 90 17.961 3.509 -3.853 1.00 0.00 C ATOM 1328 O LYS A 90 18.846 4.335 -4.076 1.00 0.00 O ATOM 1329 CB LYS A 90 18.131 2.586 -1.534 1.00 0.00 C ATOM 1330 CG LYS A 90 17.809 2.815 -0.068 1.00 0.00 C ATOM 1331 CD LYS A 90 18.079 1.572 0.763 1.00 0.00 C ATOM 1332 CE LYS A 90 19.513 1.540 1.270 1.00 0.00 C ATOM 1333 NZ LYS A 90 20.012 0.147 1.434 1.00 0.00 N ATOM 0 H LYS A 90 15.878 1.886 -2.409 1.00 0.00 H new ATOM 0 HA LYS A 90 17.207 4.448 -2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 90 17.980 1.533 -1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.186 2.803 -1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.406 3.644 0.311 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.763 3.102 0.035 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.392 1.543 1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 90 17.884 0.683 0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 90 20.157 2.077 0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 90 19.572 2.062 2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 20.992 0.168 1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 19.413 -0.358 2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 19.980 -0.344 0.518 1.00 0.00 H new ATOM 1347 N ALA A 91 17.536 2.641 -4.764 1.00 0.00 N ATOM 1348 CA ALA A 91 18.096 2.609 -6.110 1.00 0.00 C ATOM 1349 C ALA A 91 17.375 3.590 -7.028 1.00 0.00 C ATOM 1350 O ALA A 91 17.913 4.006 -8.054 1.00 0.00 O ATOM 1351 CB ALA A 91 18.023 1.200 -6.678 1.00 0.00 C ATOM 0 H ALA A 91 16.805 1.950 -4.595 1.00 0.00 H new ATOM 0 HA ALA A 91 19.142 2.911 -6.049 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.444 1.191 -7.683 1.00 0.00 H new ATOM 0 HB2 ALA A 91 18.589 0.521 -6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.983 0.877 -6.718 1.00 0.00 H new ATOM 1357 N VAL A 92 16.153 3.955 -6.653 1.00 0.00 N ATOM 1358 CA VAL A 92 15.358 4.888 -7.443 1.00 0.00 C ATOM 1359 C VAL A 92 16.078 6.221 -7.608 1.00 0.00 C ATOM 1360 O VAL A 92 16.650 6.767 -6.665 1.00 0.00 O ATOM 1361 CB VAL A 92 13.981 5.137 -6.798 1.00 0.00 C ATOM 1362 CG1 VAL A 92 14.126 5.972 -5.535 1.00 0.00 C ATOM 1363 CG2 VAL A 92 13.044 5.812 -7.789 1.00 0.00 C ATOM 0 H VAL A 92 15.692 3.619 -5.807 1.00 0.00 H new ATOM 0 HA VAL A 92 15.215 4.432 -8.423 1.00 0.00 H new ATOM 0 HB VAL A 92 13.549 4.175 -6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.143 6.138 -5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 92 14.760 5.446 -4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.579 6.932 -5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.076 5.981 -7.317 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.468 6.767 -8.098 1.00 0.00 H new ATOM 0 HG23 VAL A 92 12.916 5.172 -8.662 1.00 0.00 H new ATOM 1373 N PRO A 93 16.051 6.760 -8.837 1.00 0.00 N ATOM 1374 CA PRO A 93 16.696 8.037 -9.155 1.00 0.00 C ATOM 1375 C PRO A 93 15.984 9.222 -8.513 1.00 0.00 C ATOM 1376 O PRO A 93 14.796 9.164 -8.193 1.00 0.00 O ATOM 1377 CB PRO A 93 16.595 8.114 -10.681 1.00 0.00 C ATOM 1378 CG PRO A 93 15.416 7.271 -11.025 1.00 0.00 C ATOM 1379 CD PRO A 93 15.388 6.163 -10.008 1.00 0.00 C ATOM 0 HA PRO A 93 17.718 8.083 -8.779 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.459 9.142 -11.017 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.501 7.740 -11.157 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.496 7.855 -10.992 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.504 6.871 -12.035 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.368 5.854 -9.778 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.917 5.279 -10.362 1.00 0.00 H new ATOM 1387 N PRO A 94 16.723 10.324 -8.320 1.00 0.00 N ATOM 1388 CA PRO A 94 16.182 11.545 -7.715 1.00 0.00 C ATOM 1389 C PRO A 94 15.188 12.253 -8.630 1.00 0.00 C ATOM 1390 O PRO A 94 15.003 11.864 -9.782 1.00 0.00 O ATOM 1391 CB PRO A 94 17.423 12.414 -7.499 1.00 0.00 C ATOM 1392 CG PRO A 94 18.402 11.936 -8.515 1.00 0.00 C ATOM 1393 CD PRO A 94 18.145 10.464 -8.677 1.00 0.00 C ATOM 0 HA PRO A 94 15.627 11.336 -6.800 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.195 13.471 -7.636 1.00 0.00 H new ATOM 0 HB3 PRO A 94 17.814 12.301 -6.488 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.271 12.461 -9.461 1.00 0.00 H new ATOM 0 HG3 PRO A 94 19.425 12.120 -8.188 1.00 0.00 H new ATOM 0 HD2 PRO A 94 18.338 10.132 -9.697 1.00 0.00 H new ATOM 0 HD3 PRO A 94 18.784 9.870 -8.023 1.00 0.00 H new ATOM 1401 N GLY A 95 14.551 13.297 -8.108 1.00 0.00 N ATOM 1402 CA GLY A 95 13.584 14.044 -8.892 1.00 0.00 C ATOM 1403 C GLY A 95 12.160 13.588 -8.643 1.00 0.00 C ATOM 1404 O GLY A 95 11.873 12.948 -7.630 1.00 0.00 O ATOM 0 H GLY A 95 14.687 13.639 -7.157 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.670 15.104 -8.654 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.817 13.935 -9.951 1.00 0.00 H new ATOM 1408 N LEU A 96 11.265 13.917 -9.568 1.00 0.00 N ATOM 1409 CA LEU A 96 9.862 13.538 -9.443 1.00 0.00 C ATOM 1410 C LEU A 96 9.722 12.037 -9.211 1.00 0.00 C ATOM 1411 O LEU A 96 10.296 11.229 -9.941 1.00 0.00 O ATOM 1412 CB LEU A 96 9.090 13.946 -10.700 1.00 0.00 C ATOM 1413 CG LEU A 96 7.568 13.998 -10.565 1.00 0.00 C ATOM 1414 CD1 LEU A 96 6.993 12.594 -10.465 1.00 0.00 C ATOM 1415 CD2 LEU A 96 7.168 14.828 -9.354 1.00 0.00 C ATOM 0 H LEU A 96 11.486 14.445 -10.412 1.00 0.00 H new ATOM 0 HA LEU A 96 9.445 14.060 -8.582 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.441 14.929 -11.015 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.340 13.248 -11.499 1.00 0.00 H new ATOM 0 HG LEU A 96 7.159 14.473 -11.457 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.909 12.651 -10.369 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.249 12.031 -11.363 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.408 12.092 -9.591 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.081 14.854 -9.274 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.588 14.382 -8.452 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.548 15.843 -9.467 1.00 0.00 H new ATOM 1427 N VAL A 97 8.952 11.671 -8.191 1.00 0.00 N ATOM 1428 CA VAL A 97 8.733 10.267 -7.864 1.00 0.00 C ATOM 1429 C VAL A 97 7.257 9.901 -7.973 1.00 0.00 C ATOM 1430 O VAL A 97 6.452 10.263 -7.114 1.00 0.00 O ATOM 1431 CB VAL A 97 9.229 9.937 -6.443 1.00 0.00 C ATOM 1432 CG1 VAL A 97 8.936 8.485 -6.099 1.00 0.00 C ATOM 1433 CG2 VAL A 97 10.716 10.234 -6.316 1.00 0.00 C ATOM 0 H VAL A 97 8.470 12.327 -7.577 1.00 0.00 H new ATOM 0 HA VAL A 97 9.304 9.682 -8.585 1.00 0.00 H new ATOM 0 HB VAL A 97 8.694 10.568 -5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.293 8.270 -5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.861 8.309 -6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.443 7.833 -6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.050 9.995 -5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.270 9.629 -7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.894 11.290 -6.517 1.00 0.00 H new ATOM 1443 N HIS A 98 6.908 9.181 -9.034 1.00 0.00 N ATOM 1444 CA HIS A 98 5.528 8.764 -9.254 1.00 0.00 C ATOM 1445 C HIS A 98 5.276 7.382 -8.660 1.00 0.00 C ATOM 1446 O HIS A 98 5.573 6.362 -9.284 1.00 0.00 O ATOM 1447 CB HIS A 98 5.209 8.755 -10.750 1.00 0.00 C ATOM 1448 CG HIS A 98 4.826 10.099 -11.289 1.00 0.00 C ATOM 1449 ND1 HIS A 98 5.420 10.661 -12.399 1.00 0.00 N ATOM 1450 CD2 HIS A 98 3.902 10.992 -10.865 1.00 0.00 C ATOM 1451 CE1 HIS A 98 4.879 11.843 -12.634 1.00 0.00 C ATOM 1452 NE2 HIS A 98 3.955 12.068 -11.717 1.00 0.00 N ATOM 0 H HIS A 98 7.561 8.874 -9.755 1.00 0.00 H new ATOM 0 HA HIS A 98 4.874 9.479 -8.754 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.078 8.388 -11.296 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.396 8.053 -10.936 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.245 10.880 -10.015 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.147 12.512 -13.439 1.00 0.00 H new ATOM 0 HE2 HIS A 98 3.375 12.905 -11.652 1.00 0.00 H new ATOM 1461 N LEU A 99 4.728 7.355 -7.450 1.00 0.00 N ATOM 1462 CA LEU A 99 4.436 6.097 -6.770 1.00 0.00 C ATOM 1463 C LEU A 99 2.971 6.032 -6.351 1.00 0.00 C ATOM 1464 O LEU A 99 2.393 7.028 -5.918 1.00 0.00 O ATOM 1465 CB LEU A 99 5.336 5.937 -5.544 1.00 0.00 C ATOM 1466 CG LEU A 99 5.256 7.053 -4.502 1.00 0.00 C ATOM 1467 CD1 LEU A 99 4.184 6.743 -3.469 1.00 0.00 C ATOM 1468 CD2 LEU A 99 6.606 7.251 -3.828 1.00 0.00 C ATOM 0 H LEU A 99 4.477 8.189 -6.920 1.00 0.00 H new ATOM 0 HA LEU A 99 4.632 5.282 -7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.088 4.994 -5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.369 5.858 -5.884 1.00 0.00 H new ATOM 0 HG LEU A 99 4.986 7.979 -5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.142 7.548 -2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.217 6.652 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.424 5.806 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.530 8.049 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.905 6.327 -3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.351 7.519 -4.577 1.00 0.00 H new ATOM 1480 N GLY A 100 2.375 4.850 -6.482 1.00 0.00 N ATOM 1481 CA GLY A 100 0.983 4.676 -6.110 1.00 0.00 C ATOM 1482 C GLY A 100 0.816 4.268 -4.660 1.00 0.00 C ATOM 1483 O GLY A 100 1.701 3.638 -4.081 1.00 0.00 O ATOM 0 H GLY A 100 2.831 4.011 -6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.444 5.607 -6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.531 3.919 -6.751 1.00 0.00 H new ATOM 1487 N ILE A 101 -0.319 4.629 -4.072 1.00 0.00 N ATOM 1488 CA ILE A 101 -0.598 4.296 -2.681 1.00 0.00 C ATOM 1489 C ILE A 101 -1.999 3.716 -2.524 1.00 0.00 C ATOM 1490 O ILE A 101 -2.917 4.077 -3.261 1.00 0.00 O ATOM 1491 CB ILE A 101 -0.460 5.530 -1.769 1.00 0.00 C ATOM 1492 CG1 ILE A 101 0.891 6.212 -1.996 1.00 0.00 C ATOM 1493 CG2 ILE A 101 -0.619 5.130 -0.309 1.00 0.00 C ATOM 1494 CD1 ILE A 101 2.072 5.370 -1.567 1.00 0.00 C ATOM 0 H ILE A 101 -1.061 5.152 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 101 0.137 3.549 -2.382 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.249 6.238 -2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.993 6.455 -3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.909 7.155 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.519 6.012 0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.603 4.686 -0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.151 4.405 -0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.996 5.916 -1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.994 5.149 -0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 101 2.079 4.438 -2.132 1.00 0.00 H new ATOM 1506 N CYS A 102 -2.156 2.817 -1.559 1.00 0.00 N ATOM 1507 CA CYS A 102 -3.447 2.187 -1.304 1.00 0.00 C ATOM 1508 C CYS A 102 -3.990 2.594 0.062 1.00 0.00 C ATOM 1509 O CYS A 102 -3.497 2.144 1.096 1.00 0.00 O ATOM 1510 CB CYS A 102 -3.319 0.665 -1.383 1.00 0.00 C ATOM 1511 SG CYS A 102 -3.543 -0.010 -3.045 1.00 0.00 S ATOM 0 H CYS A 102 -1.406 2.508 -0.940 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.147 2.526 -2.068 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.335 0.374 -1.014 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.055 0.214 -0.717 1.00 0.00 H new ATOM 0 HG CYS A 102 -3.414 -1.303 -3.009 1.00 0.00 H new ATOM 1517 N SER A 103 -5.008 3.448 0.057 1.00 0.00 N ATOM 1518 CA SER A 103 -5.615 3.921 1.296 1.00 0.00 C ATOM 1519 C SER A 103 -5.792 2.773 2.286 1.00 0.00 C ATOM 1520 O SER A 103 -6.461 1.783 1.994 1.00 0.00 O ATOM 1521 CB SER A 103 -6.968 4.574 1.009 1.00 0.00 C ATOM 1522 OG SER A 103 -6.821 5.704 0.166 1.00 0.00 O ATOM 0 H SER A 103 -5.430 3.827 -0.791 1.00 0.00 H new ATOM 0 HA SER A 103 -4.949 4.661 1.739 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.632 3.849 0.538 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.436 4.874 1.946 1.00 0.00 H new ATOM 0 HG SER A 103 -6.894 6.522 0.700 1.00 0.00 H new ATOM 1528 N GLY A 104 -5.185 2.915 3.461 1.00 0.00 N ATOM 1529 CA GLY A 104 -5.287 1.884 4.478 1.00 0.00 C ATOM 1530 C GLY A 104 -5.884 2.402 5.771 1.00 0.00 C ATOM 1531 O GLY A 104 -6.697 3.327 5.778 1.00 0.00 O ATOM 0 H GLY A 104 -4.625 3.725 3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -5.900 1.065 4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.296 1.475 4.677 1.00 0.00 H new