USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 GLN : amide:sc= -0.0784 X(o=-0.078,f=-0.56) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0605 X(o=-0.061,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= -0.0103 (180deg=-0.205) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.29) USER MOD Single : A 48 THR OG1 : rot 93:sc= 0.0573 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -3.85! C(o=-3.9!,f=-9.4!) USER MOD Single : A 58 THR OG1 : rot -84:sc= -0.678 USER MOD Single : A 65 HIS : no HE2:sc= -2.44 K(o=-2.4,f=-5.1!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 88:sc= 0.823 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 83 GLN : amide:sc= -0.192 X(o=-0.19,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 7 8.339 9.746 -6.551 1.00 0.00 N ATOM 83 CA VAL A 7 8.403 8.406 -7.119 1.00 0.00 C ATOM 84 C VAL A 7 7.195 7.573 -6.702 1.00 0.00 C ATOM 85 O VAL A 7 7.043 7.228 -5.531 1.00 0.00 O ATOM 86 CB VAL A 7 9.690 7.674 -6.689 1.00 0.00 C ATOM 87 CG1 VAL A 7 10.890 8.211 -7.450 1.00 0.00 C ATOM 88 CG2 VAL A 7 9.901 7.802 -5.188 1.00 0.00 C ATOM 0 HA VAL A 7 8.404 8.522 -8.203 1.00 0.00 H new ATOM 0 HB VAL A 7 9.581 6.616 -6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.789 7.682 -7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.739 8.062 -8.519 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.004 9.275 -7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.814 7.279 -4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.988 8.855 -4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.053 7.363 -4.663 1.00 0.00 H new ATOM 98 N GLN A 8 6.340 7.256 -7.667 1.00 0.00 N ATOM 99 CA GLN A 8 5.144 6.466 -7.399 1.00 0.00 C ATOM 100 C GLN A 8 5.239 5.092 -8.055 1.00 0.00 C ATOM 101 O GLN A 8 5.907 4.925 -9.075 1.00 0.00 O ATOM 102 CB GLN A 8 3.898 7.197 -7.904 1.00 0.00 C ATOM 103 CG GLN A 8 3.857 8.668 -7.521 1.00 0.00 C ATOM 104 CD GLN A 8 2.962 9.482 -8.435 1.00 0.00 C ATOM 105 OE1 GLN A 8 2.981 9.315 -9.653 1.00 0.00 O ATOM 106 NE2 GLN A 8 2.170 10.371 -7.847 1.00 0.00 N ATOM 0 H GLN A 8 6.452 7.534 -8.642 1.00 0.00 H new ATOM 0 HA GLN A 8 5.066 6.330 -6.320 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.852 7.112 -8.990 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.011 6.702 -7.508 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.504 8.763 -6.494 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.867 9.076 -7.550 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.187 10.477 -6.833 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.545 10.948 -8.410 1.00 0.00 H new ATOM 115 N ARG A 9 4.566 4.111 -7.461 1.00 0.00 N ATOM 116 CA ARG A 9 4.573 2.752 -7.988 1.00 0.00 C ATOM 117 C ARG A 9 3.252 2.047 -7.692 1.00 0.00 C ATOM 118 O ARG A 9 2.629 2.287 -6.657 1.00 0.00 O ATOM 119 CB ARG A 9 5.734 1.955 -7.392 1.00 0.00 C ATOM 120 CG ARG A 9 6.090 0.709 -8.189 1.00 0.00 C ATOM 121 CD ARG A 9 6.986 -0.226 -7.394 1.00 0.00 C ATOM 122 NE ARG A 9 7.180 -1.505 -8.072 1.00 0.00 N ATOM 123 CZ ARG A 9 8.166 -2.352 -7.789 1.00 0.00 C ATOM 124 NH1 ARG A 9 9.052 -2.059 -6.843 1.00 0.00 N ATOM 125 NH2 ARG A 9 8.269 -3.496 -8.453 1.00 0.00 N ATOM 0 H ARG A 9 4.009 4.233 -6.615 1.00 0.00 H new ATOM 0 HA ARG A 9 4.700 2.810 -9.069 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.611 2.599 -7.329 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.479 1.664 -6.373 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.177 0.185 -8.473 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.592 0.998 -9.112 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.954 0.249 -7.232 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.548 -0.399 -6.411 1.00 0.00 H new ATOM 0 HE ARG A 9 6.521 -1.764 -8.806 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.978 -1.181 -6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.806 -2.712 -6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.592 -3.726 -9.181 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.025 -4.145 -8.236 1.00 0.00 H new ATOM 139 N CYS A 10 2.831 1.179 -8.605 1.00 0.00 N ATOM 140 CA CYS A 10 1.585 0.440 -8.440 1.00 0.00 C ATOM 141 C CYS A 10 1.826 -0.881 -7.717 1.00 0.00 C ATOM 142 O CYS A 10 2.744 -1.627 -8.055 1.00 0.00 O ATOM 143 CB CYS A 10 0.941 0.178 -9.803 1.00 0.00 C ATOM 144 SG CYS A 10 0.477 1.677 -10.699 1.00 0.00 S ATOM 0 H CYS A 10 3.334 0.970 -9.467 1.00 0.00 H new ATOM 0 HA CYS A 10 0.910 1.045 -7.835 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.634 -0.399 -10.416 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.053 -0.437 -9.661 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.057 1.353 -11.839 1.00 0.00 H new ATOM 150 N VAL A 11 0.994 -1.164 -6.720 1.00 0.00 N ATOM 151 CA VAL A 11 1.114 -2.396 -5.951 1.00 0.00 C ATOM 152 C VAL A 11 -0.229 -3.110 -5.843 1.00 0.00 C ATOM 153 O VAL A 11 -1.075 -2.741 -5.027 1.00 0.00 O ATOM 154 CB VAL A 11 1.657 -2.125 -4.534 1.00 0.00 C ATOM 155 CG1 VAL A 11 3.088 -1.614 -4.600 1.00 0.00 C ATOM 156 CG2 VAL A 11 0.762 -1.140 -3.797 1.00 0.00 C ATOM 0 H VAL A 11 0.229 -0.556 -6.426 1.00 0.00 H new ATOM 0 HA VAL A 11 1.819 -3.034 -6.484 1.00 0.00 H new ATOM 0 HB VAL A 11 1.657 -3.063 -3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.455 -1.428 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.719 -2.360 -5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.117 -0.687 -5.173 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.162 -0.962 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.726 -0.200 -4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.244 -1.552 -3.717 1.00 0.00 H new ATOM 166 N ILE A 12 -0.417 -4.131 -6.671 1.00 0.00 N ATOM 167 CA ILE A 12 -1.658 -4.898 -6.670 1.00 0.00 C ATOM 168 C ILE A 12 -1.624 -5.996 -5.614 1.00 0.00 C ATOM 169 O ILE A 12 -0.905 -6.985 -5.757 1.00 0.00 O ATOM 170 CB ILE A 12 -1.928 -5.533 -8.047 1.00 0.00 C ATOM 171 CG1 ILE A 12 -1.762 -4.492 -9.155 1.00 0.00 C ATOM 172 CG2 ILE A 12 -3.322 -6.140 -8.087 1.00 0.00 C ATOM 173 CD1 ILE A 12 -0.359 -4.429 -9.720 1.00 0.00 C ATOM 0 H ILE A 12 0.274 -4.447 -7.352 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.461 -4.199 -6.438 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.202 -6.329 -8.211 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.460 -4.717 -9.961 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.032 -3.511 -8.764 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.497 -6.585 -9.067 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.406 -6.909 -7.319 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.063 -5.362 -7.904 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.315 -3.670 -10.501 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.342 -4.174 -8.925 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.093 -5.398 -10.141 1.00 0.00 H new ATOM 185 N ILE A 13 -2.404 -5.816 -4.555 1.00 0.00 N ATOM 186 CA ILE A 13 -2.463 -6.794 -3.476 1.00 0.00 C ATOM 187 C ILE A 13 -3.643 -7.742 -3.659 1.00 0.00 C ATOM 188 O ILE A 13 -4.791 -7.308 -3.767 1.00 0.00 O ATOM 189 CB ILE A 13 -2.576 -6.110 -2.100 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.569 -4.964 -1.987 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.360 -7.124 -0.985 1.00 0.00 C ATOM 192 CD1 ILE A 13 -2.183 -3.596 -2.194 1.00 0.00 C ATOM 0 H ILE A 13 -3.004 -5.002 -4.420 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.534 -7.362 -3.514 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.579 -5.696 -2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.101 -4.998 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.778 -5.113 -2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.443 -6.626 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.114 -7.908 -1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.368 -7.565 -1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.411 -2.833 -2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.626 -3.543 -3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.955 -3.426 -1.443 1.00 0.00 H new ATOM 204 N GLN A 14 -3.353 -9.039 -3.692 1.00 0.00 N ATOM 205 CA GLN A 14 -4.390 -10.050 -3.862 1.00 0.00 C ATOM 206 C GLN A 14 -4.737 -10.700 -2.526 1.00 0.00 C ATOM 207 O GLN A 14 -3.852 -11.067 -1.754 1.00 0.00 O ATOM 208 CB GLN A 14 -3.932 -11.116 -4.858 1.00 0.00 C ATOM 209 CG GLN A 14 -3.718 -10.582 -6.265 1.00 0.00 C ATOM 210 CD GLN A 14 -2.298 -10.781 -6.757 1.00 0.00 C ATOM 211 OE1 GLN A 14 -2.050 -11.566 -7.674 1.00 0.00 O ATOM 212 NE2 GLN A 14 -1.356 -10.069 -6.151 1.00 0.00 N ATOM 0 H GLN A 14 -2.409 -9.414 -3.603 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.283 -9.560 -4.251 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.002 -11.559 -4.501 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.674 -11.914 -4.890 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.407 -11.080 -6.947 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.960 -9.519 -6.287 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.606 -9.430 -5.396 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.382 -10.160 -6.440 1.00 0.00 H new ATOM 221 N LYS A 15 -6.032 -10.841 -2.261 1.00 0.00 N ATOM 222 CA LYS A 15 -6.496 -11.448 -1.020 1.00 0.00 C ATOM 223 C LYS A 15 -6.095 -12.919 -0.949 1.00 0.00 C ATOM 224 O LYS A 15 -6.298 -13.674 -1.899 1.00 0.00 O ATOM 225 CB LYS A 15 -8.015 -11.315 -0.899 1.00 0.00 C ATOM 226 CG LYS A 15 -8.579 -11.901 0.387 1.00 0.00 C ATOM 227 CD LYS A 15 -9.501 -13.078 0.110 1.00 0.00 C ATOM 228 CE LYS A 15 -10.938 -12.625 -0.087 1.00 0.00 C ATOM 229 NZ LYS A 15 -11.910 -13.576 0.521 1.00 0.00 N ATOM 0 H LYS A 15 -6.778 -10.543 -2.889 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.025 -10.922 -0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.284 -10.260 -0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.483 -11.810 -1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.760 -12.223 1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.126 -11.130 0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.160 -13.607 -0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.451 -13.784 0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.071 -11.638 0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.145 -12.527 -1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.878 -13.230 0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.801 -14.512 0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.730 -13.651 1.543 1.00 0.00 H new ATOM 243 N ASP A 16 -5.523 -13.318 0.182 1.00 0.00 N ATOM 244 CA ASP A 16 -5.092 -14.698 0.377 1.00 0.00 C ATOM 245 C ASP A 16 -6.167 -15.506 1.097 1.00 0.00 C ATOM 246 O ASP A 16 -7.290 -15.037 1.286 1.00 0.00 O ATOM 247 CB ASP A 16 -3.788 -14.739 1.172 1.00 0.00 C ATOM 248 CG ASP A 16 -2.739 -13.796 0.613 1.00 0.00 C ATOM 249 OD1 ASP A 16 -2.855 -13.412 -0.569 1.00 0.00 O ATOM 250 OD2 ASP A 16 -1.802 -13.440 1.360 1.00 0.00 O ATOM 0 H ASP A 16 -5.347 -12.705 0.978 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.924 -15.143 -0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.991 -14.478 2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.396 -15.756 1.170 1.00 0.00 H new ATOM 255 N ASP A 17 -5.815 -16.724 1.498 1.00 0.00 N ATOM 256 CA ASP A 17 -6.749 -17.598 2.196 1.00 0.00 C ATOM 257 C ASP A 17 -7.229 -16.956 3.496 1.00 0.00 C ATOM 258 O ASP A 17 -8.353 -17.190 3.937 1.00 0.00 O ATOM 259 CB ASP A 17 -6.093 -18.949 2.491 1.00 0.00 C ATOM 260 CG ASP A 17 -6.903 -20.114 1.957 1.00 0.00 C ATOM 261 OD1 ASP A 17 -6.783 -20.419 0.751 1.00 0.00 O ATOM 262 OD2 ASP A 17 -7.659 -20.722 2.744 1.00 0.00 O ATOM 0 H ASP A 17 -4.890 -17.127 1.351 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.613 -17.755 1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.097 -18.970 2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.967 -19.061 3.568 1.00 0.00 H new ATOM 267 N ASN A 18 -6.368 -16.144 4.101 1.00 0.00 N ATOM 268 CA ASN A 18 -6.705 -15.467 5.349 1.00 0.00 C ATOM 269 C ASN A 18 -7.047 -14.002 5.098 1.00 0.00 C ATOM 270 O ASN A 18 -7.903 -13.430 5.773 1.00 0.00 O ATOM 271 CB ASN A 18 -5.542 -15.569 6.339 1.00 0.00 C ATOM 272 CG ASN A 18 -5.692 -16.741 7.288 1.00 0.00 C ATOM 273 OD1 ASN A 18 -5.497 -17.894 6.906 1.00 0.00 O ATOM 274 ND2 ASN A 18 -6.039 -16.449 8.536 1.00 0.00 N ATOM 0 H ASN A 18 -5.433 -15.939 3.748 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.580 -15.958 5.775 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.607 -15.669 5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.476 -14.645 6.914 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.154 -17.196 9.221 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.191 -15.478 8.809 1.00 0.00 H new ATOM 281 N GLY A 19 -6.374 -13.399 4.124 1.00 0.00 N ATOM 282 CA GLY A 19 -6.622 -12.007 3.801 1.00 0.00 C ATOM 283 C GLY A 19 -5.342 -11.226 3.575 1.00 0.00 C ATOM 284 O GLY A 19 -4.291 -11.810 3.311 1.00 0.00 O ATOM 0 H GLY A 19 -5.660 -13.850 3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.241 -11.950 2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.188 -11.545 4.610 1.00 0.00 H new ATOM 288 N PHE A 20 -5.431 -9.905 3.675 1.00 0.00 N ATOM 289 CA PHE A 20 -4.271 -9.042 3.479 1.00 0.00 C ATOM 290 C PHE A 20 -3.423 -8.972 4.744 1.00 0.00 C ATOM 291 O PHE A 20 -3.905 -8.579 5.807 1.00 0.00 O ATOM 292 CB PHE A 20 -4.719 -7.636 3.073 1.00 0.00 C ATOM 293 CG PHE A 20 -5.623 -7.618 1.875 1.00 0.00 C ATOM 294 CD1 PHE A 20 -5.130 -7.912 0.614 1.00 0.00 C ATOM 295 CD2 PHE A 20 -6.967 -7.310 2.010 1.00 0.00 C ATOM 296 CE1 PHE A 20 -5.960 -7.895 -0.492 1.00 0.00 C ATOM 297 CE2 PHE A 20 -7.803 -7.293 0.908 1.00 0.00 C ATOM 298 CZ PHE A 20 -7.297 -7.587 -0.344 1.00 0.00 C ATOM 0 H PHE A 20 -6.295 -9.407 3.891 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.664 -9.468 2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.234 -7.170 3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.838 -7.029 2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.085 -8.157 0.493 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.367 -7.081 2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.562 -8.122 -1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.849 -7.051 1.026 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.948 -7.576 -1.206 1.00 0.00 H new ATOM 308 N GLY A 21 -2.156 -9.357 4.623 1.00 0.00 N ATOM 309 CA GLY A 21 -1.262 -9.331 5.767 1.00 0.00 C ATOM 310 C GLY A 21 -0.729 -7.941 6.057 1.00 0.00 C ATOM 311 O GLY A 21 -0.461 -7.602 7.208 1.00 0.00 O ATOM 0 H GLY A 21 -1.733 -9.686 3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.790 -9.705 6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.426 -10.007 5.586 1.00 0.00 H new ATOM 315 N LEU A 22 -0.577 -7.137 5.010 1.00 0.00 N ATOM 316 CA LEU A 22 -0.073 -5.776 5.160 1.00 0.00 C ATOM 317 C LEU A 22 -0.983 -4.955 6.066 1.00 0.00 C ATOM 318 O LEU A 22 -2.206 -4.993 5.933 1.00 0.00 O ATOM 319 CB LEU A 22 0.049 -5.102 3.791 1.00 0.00 C ATOM 320 CG LEU A 22 -1.270 -4.923 3.037 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.859 -3.548 3.308 1.00 0.00 C ATOM 322 CD2 LEU A 22 -1.063 -5.132 1.544 1.00 0.00 C ATOM 0 H LEU A 22 -0.795 -7.403 4.050 1.00 0.00 H new ATOM 0 HA LEU A 22 0.914 -5.829 5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.509 -4.123 3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.726 -5.691 3.172 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.975 -5.673 3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.797 -3.440 2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.045 -3.436 4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.158 -2.781 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.012 -5.001 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.341 -4.405 1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.688 -6.140 1.366 1.00 0.00 H new ATOM 334 N THR A 23 -0.377 -4.212 6.987 1.00 0.00 N ATOM 335 CA THR A 23 -1.134 -3.381 7.917 1.00 0.00 C ATOM 336 C THR A 23 -1.048 -1.910 7.525 1.00 0.00 C ATOM 337 O THR A 23 0.021 -1.413 7.171 1.00 0.00 O ATOM 338 CB THR A 23 -0.612 -3.572 9.343 1.00 0.00 C ATOM 339 OG1 THR A 23 -0.229 -4.918 9.561 1.00 0.00 O ATOM 340 CG2 THR A 23 -1.626 -3.207 10.405 1.00 0.00 C ATOM 0 H THR A 23 0.635 -4.168 7.109 1.00 0.00 H new ATOM 0 HA THR A 23 -2.179 -3.689 7.875 1.00 0.00 H new ATOM 0 HB THR A 23 0.241 -2.899 9.430 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.103 -5.019 10.477 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.192 -3.366 11.392 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.906 -2.159 10.296 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.511 -3.833 10.293 1.00 0.00 H new ATOM 348 N VAL A 24 -2.181 -1.218 7.591 1.00 0.00 N ATOM 349 CA VAL A 24 -2.236 0.197 7.246 1.00 0.00 C ATOM 350 C VAL A 24 -2.918 1.005 8.343 1.00 0.00 C ATOM 351 O VAL A 24 -3.945 0.595 8.883 1.00 0.00 O ATOM 352 CB VAL A 24 -2.986 0.422 5.919 1.00 0.00 C ATOM 353 CG1 VAL A 24 -2.130 -0.013 4.740 1.00 0.00 C ATOM 354 CG2 VAL A 24 -4.316 -0.315 5.925 1.00 0.00 C ATOM 0 H VAL A 24 -3.074 -1.616 7.881 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.206 0.535 7.136 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.189 1.488 5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.677 0.154 3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.207 0.567 4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.891 -1.072 4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.831 -0.144 4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.140 -1.383 6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.932 0.053 6.745 1.00 0.00 H new ATOM 364 N SER A 25 -2.341 2.157 8.670 1.00 0.00 N ATOM 365 CA SER A 25 -2.895 3.024 9.703 1.00 0.00 C ATOM 366 C SER A 25 -2.589 4.487 9.410 1.00 0.00 C ATOM 367 O SER A 25 -1.451 4.846 9.103 1.00 0.00 O ATOM 368 CB SER A 25 -2.333 2.640 11.075 1.00 0.00 C ATOM 369 OG SER A 25 -2.870 3.462 12.095 1.00 0.00 O ATOM 0 H SER A 25 -1.490 2.512 8.234 1.00 0.00 H new ATOM 0 HA SER A 25 -3.977 2.893 9.709 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.563 1.596 11.286 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.247 2.731 11.065 1.00 0.00 H new ATOM 0 HG SER A 25 -2.496 3.195 12.961 1.00 0.00 H new ATOM 375 N GLY A 26 -3.611 5.331 9.504 1.00 0.00 N ATOM 376 CA GLY A 26 -3.430 6.748 9.246 1.00 0.00 C ATOM 377 C GLY A 26 -4.690 7.549 9.502 1.00 0.00 C ATOM 378 O GLY A 26 -5.710 7.346 8.842 1.00 0.00 O ATOM 0 H GLY A 26 -4.562 5.059 9.754 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.627 7.129 9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.118 6.889 8.211 1.00 0.00 H new ATOM 382 N ASP A 27 -4.622 8.466 10.463 1.00 0.00 N ATOM 383 CA ASP A 27 -5.768 9.301 10.804 1.00 0.00 C ATOM 384 C ASP A 27 -6.199 10.145 9.608 1.00 0.00 C ATOM 385 O ASP A 27 -7.214 9.861 8.972 1.00 0.00 O ATOM 386 CB ASP A 27 -5.430 10.204 11.993 1.00 0.00 C ATOM 387 CG ASP A 27 -6.600 11.074 12.409 1.00 0.00 C ATOM 388 OD1 ASP A 27 -7.690 10.520 12.667 1.00 0.00 O ATOM 389 OD2 ASP A 27 -6.426 12.309 12.480 1.00 0.00 O ATOM 0 H ASP A 27 -3.786 8.649 11.018 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.596 8.648 11.080 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.121 9.588 12.837 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.583 10.839 11.734 1.00 0.00 H new ATOM 394 N ASN A 28 -5.423 11.181 9.306 1.00 0.00 N ATOM 395 CA ASN A 28 -5.729 12.061 8.186 1.00 0.00 C ATOM 396 C ASN A 28 -5.245 11.457 6.868 1.00 0.00 C ATOM 397 O ASN A 28 -6.042 11.187 5.971 1.00 0.00 O ATOM 398 CB ASN A 28 -5.092 13.437 8.398 1.00 0.00 C ATOM 399 CG ASN A 28 -6.069 14.445 8.970 1.00 0.00 C ATOM 400 OD1 ASN A 28 -6.108 14.672 10.180 1.00 0.00 O ATOM 401 ND2 ASN A 28 -6.864 15.056 8.100 1.00 0.00 N ATOM 0 H ASN A 28 -4.579 11.431 9.821 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.812 12.176 8.134 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.239 13.340 9.070 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.708 13.807 7.447 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.542 15.745 8.425 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.797 14.836 7.106 1.00 0.00 H new ATOM 408 N PRO A 29 -3.924 11.233 6.734 1.00 0.00 N ATOM 409 CA PRO A 29 -3.343 10.658 5.521 1.00 0.00 C ATOM 410 C PRO A 29 -3.562 9.150 5.432 1.00 0.00 C ATOM 411 O PRO A 29 -4.345 8.581 6.195 1.00 0.00 O ATOM 412 CB PRO A 29 -1.856 10.973 5.666 1.00 0.00 C ATOM 413 CG PRO A 29 -1.623 11.002 7.136 1.00 0.00 C ATOM 414 CD PRO A 29 -2.895 11.523 7.753 1.00 0.00 C ATOM 0 HA PRO A 29 -3.796 11.064 4.616 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.241 10.215 5.181 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.606 11.929 5.206 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.387 10.007 7.512 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.778 11.645 7.384 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.115 11.025 8.697 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.830 12.590 7.963 1.00 0.00 H new ATOM 422 N VAL A 30 -2.865 8.510 4.501 1.00 0.00 N ATOM 423 CA VAL A 30 -2.980 7.070 4.314 1.00 0.00 C ATOM 424 C VAL A 30 -1.636 6.460 3.932 1.00 0.00 C ATOM 425 O VAL A 30 -1.118 6.708 2.844 1.00 0.00 O ATOM 426 CB VAL A 30 -4.017 6.723 3.230 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.243 5.220 3.164 1.00 0.00 C ATOM 428 CG2 VAL A 30 -5.325 7.455 3.491 1.00 0.00 C ATOM 0 H VAL A 30 -2.213 8.967 3.863 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.310 6.652 5.265 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.629 7.049 2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.979 4.996 2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.304 4.721 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.608 4.864 4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.047 7.198 2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.718 7.161 4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.148 8.531 3.481 1.00 0.00 H new ATOM 438 N PHE A 31 -1.074 5.663 4.836 1.00 0.00 N ATOM 439 CA PHE A 31 0.211 5.020 4.595 1.00 0.00 C ATOM 440 C PHE A 31 0.209 3.585 5.110 1.00 0.00 C ATOM 441 O PHE A 31 -0.524 3.250 6.041 1.00 0.00 O ATOM 442 CB PHE A 31 1.334 5.812 5.267 1.00 0.00 C ATOM 443 CG PHE A 31 1.044 6.168 6.697 1.00 0.00 C ATOM 444 CD1 PHE A 31 0.072 7.104 7.010 1.00 0.00 C ATOM 445 CD2 PHE A 31 1.745 5.565 7.730 1.00 0.00 C ATOM 446 CE1 PHE A 31 -0.198 7.432 8.324 1.00 0.00 C ATOM 447 CE2 PHE A 31 1.480 5.891 9.048 1.00 0.00 C ATOM 448 CZ PHE A 31 0.509 6.825 9.345 1.00 0.00 C ATOM 0 H PHE A 31 -1.490 5.448 5.742 1.00 0.00 H new ATOM 0 HA PHE A 31 0.381 5.000 3.519 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.254 5.229 5.226 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.511 6.727 4.702 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.482 7.583 6.216 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.506 4.833 7.503 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.960 8.162 8.554 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.033 5.415 9.844 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.302 7.081 10.373 1.00 0.00 H new ATOM 458 N VAL A 32 1.036 2.740 4.500 1.00 0.00 N ATOM 459 CA VAL A 32 1.130 1.342 4.901 1.00 0.00 C ATOM 460 C VAL A 32 2.237 1.141 5.929 1.00 0.00 C ATOM 461 O VAL A 32 3.402 1.441 5.668 1.00 0.00 O ATOM 462 CB VAL A 32 1.397 0.423 3.692 1.00 0.00 C ATOM 463 CG1 VAL A 32 1.196 -1.036 4.078 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.500 0.800 2.522 1.00 0.00 C ATOM 0 H VAL A 32 1.649 3.000 3.727 1.00 0.00 H new ATOM 0 HA VAL A 32 0.170 1.076 5.343 1.00 0.00 H new ATOM 0 HB VAL A 32 2.433 0.556 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.388 -1.671 3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.885 -1.298 4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.171 -1.185 4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.704 0.140 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.544 0.699 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.697 1.832 2.230 1.00 0.00 H new ATOM 474 N GLN A 33 1.864 0.635 7.100 1.00 0.00 N ATOM 475 CA GLN A 33 2.825 0.396 8.170 1.00 0.00 C ATOM 476 C GLN A 33 3.707 -0.809 7.856 1.00 0.00 C ATOM 477 O GLN A 33 4.909 -0.668 7.636 1.00 0.00 O ATOM 478 CB GLN A 33 2.095 0.176 9.497 1.00 0.00 C ATOM 479 CG GLN A 33 1.047 1.235 9.796 1.00 0.00 C ATOM 480 CD GLN A 33 1.015 1.624 11.262 1.00 0.00 C ATOM 481 OE1 GLN A 33 1.643 2.601 11.671 1.00 0.00 O ATOM 482 NE2 GLN A 33 0.282 0.858 12.062 1.00 0.00 N ATOM 0 H GLN A 33 0.903 0.383 7.332 1.00 0.00 H new ATOM 0 HA GLN A 33 3.463 1.276 8.253 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.616 -0.803 9.481 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.825 0.161 10.306 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.248 2.120 9.193 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.066 0.864 9.501 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.222 0.058 11.680 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.223 1.070 13.058 1.00 0.00 H new ATOM 491 N SER A 34 3.102 -1.993 7.838 1.00 0.00 N ATOM 492 CA SER A 34 3.836 -3.221 7.554 1.00 0.00 C ATOM 493 C SER A 34 3.292 -3.905 6.304 1.00 0.00 C ATOM 494 O SER A 34 2.186 -3.608 5.853 1.00 0.00 O ATOM 495 CB SER A 34 3.754 -4.176 8.746 1.00 0.00 C ATOM 496 OG SER A 34 3.569 -3.466 9.957 1.00 0.00 O ATOM 0 H SER A 34 2.107 -2.128 8.016 1.00 0.00 H new ATOM 0 HA SER A 34 4.879 -2.957 7.378 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.929 -4.874 8.601 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.667 -4.769 8.804 1.00 0.00 H new ATOM 0 HG SER A 34 3.518 -4.099 10.703 1.00 0.00 H new ATOM 502 N VAL A 35 4.079 -4.821 5.748 1.00 0.00 N ATOM 503 CA VAL A 35 3.679 -5.549 4.551 1.00 0.00 C ATOM 504 C VAL A 35 4.006 -7.032 4.676 1.00 0.00 C ATOM 505 O VAL A 35 5.058 -7.404 5.195 1.00 0.00 O ATOM 506 CB VAL A 35 4.369 -4.988 3.293 1.00 0.00 C ATOM 507 CG1 VAL A 35 3.878 -3.578 2.998 1.00 0.00 C ATOM 508 CG2 VAL A 35 5.881 -5.009 3.461 1.00 0.00 C ATOM 0 H VAL A 35 4.998 -5.076 6.109 1.00 0.00 H new ATOM 0 HA VAL A 35 2.601 -5.423 4.451 1.00 0.00 H new ATOM 0 HB VAL A 35 4.111 -5.622 2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.376 -3.198 2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.801 -3.595 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.105 -2.929 3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.352 -4.609 2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.160 -4.399 4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.215 -6.034 3.621 1.00 0.00 H new ATOM 518 N LYS A 36 3.098 -7.877 4.198 1.00 0.00 N ATOM 519 CA LYS A 36 3.291 -9.322 4.258 1.00 0.00 C ATOM 520 C LYS A 36 4.558 -9.734 3.511 1.00 0.00 C ATOM 521 O LYS A 36 4.691 -9.488 2.314 1.00 0.00 O ATOM 522 CB LYS A 36 2.079 -10.042 3.665 1.00 0.00 C ATOM 523 CG LYS A 36 2.139 -11.555 3.815 1.00 0.00 C ATOM 524 CD LYS A 36 1.618 -12.001 5.170 1.00 0.00 C ATOM 525 CE LYS A 36 1.687 -13.513 5.323 1.00 0.00 C ATOM 526 NZ LYS A 36 0.823 -14.210 4.330 1.00 0.00 N ATOM 0 H LYS A 36 2.221 -7.586 3.765 1.00 0.00 H new ATOM 0 HA LYS A 36 3.400 -9.607 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.175 -9.672 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.000 -9.793 2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.551 -12.024 3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.168 -11.894 3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.202 -11.527 5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.587 -11.668 5.292 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.719 -13.844 5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.379 -13.791 6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.735 -15.213 4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.120 -13.771 4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.249 -14.133 3.384 1.00 0.00 H new ATOM 540 N GLU A 37 5.483 -10.361 4.230 1.00 0.00 N ATOM 541 CA GLU A 37 6.737 -10.809 3.637 1.00 0.00 C ATOM 542 C GLU A 37 6.524 -12.062 2.793 1.00 0.00 C ATOM 543 O GLU A 37 5.900 -13.024 3.241 1.00 0.00 O ATOM 544 CB GLU A 37 7.772 -11.084 4.730 1.00 0.00 C ATOM 545 CG GLU A 37 9.184 -10.664 4.351 1.00 0.00 C ATOM 546 CD GLU A 37 9.938 -11.754 3.614 1.00 0.00 C ATOM 547 OE1 GLU A 37 9.441 -12.215 2.565 1.00 0.00 O ATOM 548 OE2 GLU A 37 11.025 -12.147 4.085 1.00 0.00 O ATOM 0 H GLU A 37 5.388 -10.570 5.224 1.00 0.00 H new ATOM 0 HA GLU A 37 7.107 -10.016 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.477 -10.559 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.769 -12.149 4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.138 -9.772 3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.733 -10.393 5.253 1.00 0.00 H new ATOM 555 N ASP A 38 7.048 -12.042 1.572 1.00 0.00 N ATOM 556 CA ASP A 38 6.916 -13.178 0.664 1.00 0.00 C ATOM 557 C ASP A 38 5.448 -13.506 0.412 1.00 0.00 C ATOM 558 O ASP A 38 5.090 -14.662 0.183 1.00 0.00 O ATOM 559 CB ASP A 38 7.635 -14.401 1.238 1.00 0.00 C ATOM 560 CG ASP A 38 8.413 -15.161 0.182 1.00 0.00 C ATOM 561 OD1 ASP A 38 7.789 -15.637 -0.789 1.00 0.00 O ATOM 562 OD2 ASP A 38 9.649 -15.279 0.325 1.00 0.00 O ATOM 0 H ASP A 38 7.568 -11.253 1.188 1.00 0.00 H new ATOM 0 HA ASP A 38 7.376 -12.908 -0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.315 -14.082 2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.904 -15.067 1.697 1.00 0.00 H new ATOM 567 N GLY A 39 4.602 -12.482 0.455 1.00 0.00 N ATOM 568 CA GLY A 39 3.183 -12.681 0.230 1.00 0.00 C ATOM 569 C GLY A 39 2.614 -11.710 -0.785 1.00 0.00 C ATOM 570 O GLY A 39 3.327 -11.237 -1.668 1.00 0.00 O ATOM 0 H GLY A 39 4.875 -11.517 0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.013 -13.701 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.650 -12.569 1.174 1.00 0.00 H new ATOM 574 N ALA A 40 1.325 -11.413 -0.657 1.00 0.00 N ATOM 575 CA ALA A 40 0.658 -10.492 -1.570 1.00 0.00 C ATOM 576 C ALA A 40 1.291 -9.105 -1.514 1.00 0.00 C ATOM 577 O ALA A 40 1.435 -8.436 -2.535 1.00 0.00 O ATOM 578 CB ALA A 40 -0.825 -10.411 -1.246 1.00 0.00 C ATOM 0 H ALA A 40 0.721 -11.797 0.070 1.00 0.00 H new ATOM 0 HA ALA A 40 0.778 -10.875 -2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.311 -9.720 -1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.274 -11.399 -1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.955 -10.056 -0.224 1.00 0.00 H new ATOM 584 N ALA A 41 1.665 -8.679 -0.311 1.00 0.00 N ATOM 585 CA ALA A 41 2.279 -7.371 -0.123 1.00 0.00 C ATOM 586 C ALA A 41 3.671 -7.322 -0.743 1.00 0.00 C ATOM 587 O ALA A 41 4.010 -6.380 -1.459 1.00 0.00 O ATOM 588 CB ALA A 41 2.348 -7.029 1.358 1.00 0.00 C ATOM 0 H ALA A 41 1.553 -9.220 0.546 1.00 0.00 H new ATOM 0 HA ALA A 41 1.659 -6.631 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.809 -6.049 1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.341 -7.013 1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.944 -7.780 1.877 1.00 0.00 H new ATOM 594 N MET A 42 4.475 -8.343 -0.462 1.00 0.00 N ATOM 595 CA MET A 42 5.831 -8.415 -0.993 1.00 0.00 C ATOM 596 C MET A 42 5.816 -8.516 -2.514 1.00 0.00 C ATOM 597 O MET A 42 6.530 -7.787 -3.202 1.00 0.00 O ATOM 598 CB MET A 42 6.568 -9.613 -0.395 1.00 0.00 C ATOM 599 CG MET A 42 8.077 -9.442 -0.362 1.00 0.00 C ATOM 600 SD MET A 42 8.667 -8.785 1.209 1.00 0.00 S ATOM 601 CE MET A 42 9.633 -7.384 0.647 1.00 0.00 C ATOM 0 H MET A 42 4.211 -9.131 0.130 1.00 0.00 H new ATOM 0 HA MET A 42 6.354 -7.500 -0.716 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.207 -9.782 0.620 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.324 -10.505 -0.972 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.552 -10.405 -0.550 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.381 -8.774 -1.168 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.066 -6.872 1.507 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.432 -7.732 -0.008 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.990 -6.695 0.100 1.00 0.00 H new ATOM 611 N ARG A 43 5.000 -9.428 -3.034 1.00 0.00 N ATOM 612 CA ARG A 43 4.894 -9.625 -4.474 1.00 0.00 C ATOM 613 C ARG A 43 4.438 -8.346 -5.168 1.00 0.00 C ATOM 614 O ARG A 43 4.852 -8.055 -6.291 1.00 0.00 O ATOM 615 CB ARG A 43 3.916 -10.760 -4.784 1.00 0.00 C ATOM 616 CG ARG A 43 3.771 -11.050 -6.269 1.00 0.00 C ATOM 617 CD ARG A 43 4.500 -12.323 -6.666 1.00 0.00 C ATOM 618 NE ARG A 43 5.125 -12.211 -7.983 1.00 0.00 N ATOM 619 CZ ARG A 43 6.284 -11.597 -8.203 1.00 0.00 C ATOM 620 NH1 ARG A 43 6.949 -11.038 -7.200 1.00 0.00 N ATOM 621 NH2 ARG A 43 6.780 -11.541 -9.432 1.00 0.00 N ATOM 0 H ARG A 43 4.403 -10.041 -2.479 1.00 0.00 H new ATOM 0 HA ARG A 43 5.882 -9.890 -4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.250 -11.665 -4.277 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.938 -10.508 -4.374 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.714 -11.142 -6.521 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.164 -10.211 -6.844 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.263 -12.551 -5.921 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.798 -13.157 -6.668 1.00 0.00 H new ATOM 0 HE ARG A 43 4.644 -12.628 -8.780 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.572 -11.078 -6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.837 -10.569 -7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.273 -11.968 -10.207 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.669 -11.070 -9.602 1.00 0.00 H new ATOM 635 N ALA A 44 3.584 -7.584 -4.493 1.00 0.00 N ATOM 636 CA ALA A 44 3.073 -6.336 -5.044 1.00 0.00 C ATOM 637 C ALA A 44 4.152 -5.255 -5.072 1.00 0.00 C ATOM 638 O ALA A 44 4.008 -4.240 -5.753 1.00 0.00 O ATOM 639 CB ALA A 44 1.870 -5.862 -4.244 1.00 0.00 C ATOM 0 H ALA A 44 3.231 -7.810 -3.563 1.00 0.00 H new ATOM 0 HA ALA A 44 2.764 -6.525 -6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.497 -4.929 -4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.085 -6.617 -4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.164 -5.700 -3.207 1.00 0.00 H new ATOM 645 N GLY A 45 5.232 -5.474 -4.326 1.00 0.00 N ATOM 646 CA GLY A 45 6.313 -4.507 -4.283 1.00 0.00 C ATOM 647 C GLY A 45 6.015 -3.347 -3.356 1.00 0.00 C ATOM 648 O GLY A 45 6.316 -2.196 -3.674 1.00 0.00 O ATOM 0 H GLY A 45 5.377 -6.304 -3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.227 -5.003 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.497 -4.127 -5.288 1.00 0.00 H new ATOM 652 N VAL A 46 5.422 -3.649 -2.206 1.00 0.00 N ATOM 653 CA VAL A 46 5.082 -2.622 -1.227 1.00 0.00 C ATOM 654 C VAL A 46 6.223 -2.405 -0.240 1.00 0.00 C ATOM 655 O VAL A 46 6.871 -3.357 0.196 1.00 0.00 O ATOM 656 CB VAL A 46 3.806 -2.988 -0.447 1.00 0.00 C ATOM 657 CG1 VAL A 46 3.345 -1.816 0.403 1.00 0.00 C ATOM 658 CG2 VAL A 46 2.706 -3.432 -1.400 1.00 0.00 C ATOM 0 H VAL A 46 5.167 -4.597 -1.929 1.00 0.00 H new ATOM 0 HA VAL A 46 4.906 -1.701 -1.784 1.00 0.00 H new ATOM 0 HB VAL A 46 4.035 -3.820 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.442 -2.094 0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.129 -1.551 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.133 -0.962 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.812 -3.687 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.476 -2.623 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.040 -4.305 -1.960 1.00 0.00 H new ATOM 668 N GLN A 47 6.464 -1.145 0.111 1.00 0.00 N ATOM 669 CA GLN A 47 7.526 -0.802 1.048 1.00 0.00 C ATOM 670 C GLN A 47 6.954 -0.492 2.428 1.00 0.00 C ATOM 671 O GLN A 47 5.841 0.018 2.549 1.00 0.00 O ATOM 672 CB GLN A 47 8.324 0.396 0.533 1.00 0.00 C ATOM 673 CG GLN A 47 8.934 0.177 -0.842 1.00 0.00 C ATOM 674 CD GLN A 47 8.066 0.723 -1.959 1.00 0.00 C ATOM 675 OE1 GLN A 47 7.569 -0.029 -2.797 1.00 0.00 O ATOM 676 NE2 GLN A 47 7.882 2.038 -1.976 1.00 0.00 N ATOM 0 H GLN A 47 5.937 -0.345 -0.240 1.00 0.00 H new ATOM 0 HA GLN A 47 8.191 -1.661 1.134 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.671 1.268 0.497 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.120 0.623 1.242 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.913 0.655 -0.881 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.093 -0.890 -0.999 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.314 2.623 -1.260 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.309 2.463 -2.705 1.00 0.00 H new ATOM 685 N THR A 48 7.722 -0.804 3.465 1.00 0.00 N ATOM 686 CA THR A 48 7.291 -0.559 4.836 1.00 0.00 C ATOM 687 C THR A 48 7.223 0.936 5.125 1.00 0.00 C ATOM 688 O THR A 48 8.224 1.644 5.033 1.00 0.00 O ATOM 689 CB THR A 48 8.245 -1.236 5.824 1.00 0.00 C ATOM 690 OG1 THR A 48 8.898 -2.336 5.216 1.00 0.00 O ATOM 691 CG2 THR A 48 7.555 -1.743 7.071 1.00 0.00 C ATOM 0 H THR A 48 8.646 -1.227 3.383 1.00 0.00 H new ATOM 0 HA THR A 48 6.294 -0.982 4.956 1.00 0.00 H new ATOM 0 HB THR A 48 8.958 -0.464 6.113 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.753 -2.041 4.839 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.288 -2.211 7.728 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.083 -0.909 7.590 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.796 -2.475 6.795 1.00 0.00 H new ATOM 699 N GLY A 49 6.032 1.410 5.477 1.00 0.00 N ATOM 700 CA GLY A 49 5.853 2.820 5.775 1.00 0.00 C ATOM 701 C GLY A 49 5.796 3.675 4.525 1.00 0.00 C ATOM 702 O GLY A 49 6.426 4.731 4.459 1.00 0.00 O ATOM 0 H GLY A 49 5.188 0.844 5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.933 2.954 6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.672 3.161 6.408 1.00 0.00 H new ATOM 706 N ASP A 50 5.038 3.221 3.532 1.00 0.00 N ATOM 707 CA ASP A 50 4.902 3.957 2.279 1.00 0.00 C ATOM 708 C ASP A 50 3.681 4.872 2.318 1.00 0.00 C ATOM 709 O ASP A 50 2.787 4.696 3.144 1.00 0.00 O ATOM 710 CB ASP A 50 4.796 2.986 1.100 1.00 0.00 C ATOM 711 CG ASP A 50 3.538 2.138 1.152 1.00 0.00 C ATOM 712 OD1 ASP A 50 2.729 2.328 2.085 1.00 0.00 O ATOM 713 OD2 ASP A 50 3.363 1.282 0.259 1.00 0.00 O ATOM 0 H ASP A 50 4.510 2.349 3.570 1.00 0.00 H new ATOM 0 HA ASP A 50 5.791 4.574 2.148 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.811 3.550 0.167 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.669 2.334 1.092 1.00 0.00 H new ATOM 718 N ARG A 51 3.651 5.850 1.417 1.00 0.00 N ATOM 719 CA ARG A 51 2.540 6.792 1.354 1.00 0.00 C ATOM 720 C ARG A 51 1.549 6.394 0.263 1.00 0.00 C ATOM 721 O ARG A 51 1.943 6.004 -0.836 1.00 0.00 O ATOM 722 CB ARG A 51 3.060 8.208 1.095 1.00 0.00 C ATOM 723 CG ARG A 51 3.232 9.033 2.360 1.00 0.00 C ATOM 724 CD ARG A 51 4.335 10.068 2.203 1.00 0.00 C ATOM 725 NE ARG A 51 5.648 9.449 2.046 1.00 0.00 N ATOM 726 CZ ARG A 51 6.710 10.080 1.550 1.00 0.00 C ATOM 727 NH1 ARG A 51 6.618 11.347 1.164 1.00 0.00 N ATOM 728 NH2 ARG A 51 7.869 9.444 1.442 1.00 0.00 N ATOM 0 H ARG A 51 4.381 6.010 0.723 1.00 0.00 H new ATOM 0 HA ARG A 51 2.023 6.771 2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.018 8.146 0.579 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.370 8.723 0.426 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.294 9.533 2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.466 8.374 3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.124 10.694 1.336 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.345 10.722 3.075 1.00 0.00 H new ATOM 0 HE ARG A 51 5.758 8.476 2.333 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.730 11.842 1.247 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.435 11.825 0.785 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.947 8.471 1.739 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.683 9.928 1.062 1.00 0.00 H new ATOM 742 N ILE A 52 0.261 6.499 0.574 1.00 0.00 N ATOM 743 CA ILE A 52 -0.788 6.155 -0.377 1.00 0.00 C ATOM 744 C ILE A 52 -1.295 7.396 -1.105 1.00 0.00 C ATOM 745 O ILE A 52 -1.484 8.449 -0.497 1.00 0.00 O ATOM 746 CB ILE A 52 -1.976 5.460 0.316 1.00 0.00 C ATOM 747 CG1 ILE A 52 -1.480 4.321 1.211 1.00 0.00 C ATOM 748 CG2 ILE A 52 -2.964 4.940 -0.717 1.00 0.00 C ATOM 749 CD1 ILE A 52 -0.819 3.196 0.447 1.00 0.00 C ATOM 0 H ILE A 52 -0.081 6.820 1.480 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.347 5.466 -1.097 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.488 6.190 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.772 4.722 1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.322 3.920 1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.797 4.452 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.339 5.772 -1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.465 4.223 -1.369 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.493 2.425 1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.531 2.769 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.044 3.582 -0.096 1.00 0.00 H new ATOM 761 N ILE A 53 -1.513 7.265 -2.409 1.00 0.00 N ATOM 762 CA ILE A 53 -1.998 8.376 -3.217 1.00 0.00 C ATOM 763 C ILE A 53 -3.402 8.100 -3.741 1.00 0.00 C ATOM 764 O ILE A 53 -4.295 8.940 -3.628 1.00 0.00 O ATOM 765 CB ILE A 53 -1.064 8.657 -4.410 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.387 8.774 -3.937 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.493 9.926 -5.133 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.389 8.198 -4.914 1.00 0.00 C ATOM 0 H ILE A 53 -1.361 6.400 -2.928 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.018 9.252 -2.569 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.133 7.822 -5.108 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.621 9.825 -3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.491 8.264 -2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.823 10.110 -5.973 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.512 9.808 -5.501 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.451 10.769 -4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.396 8.315 -4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.181 7.139 -5.067 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.313 8.724 -5.866 1.00 0.00 H new ATOM 780 N LYS A 54 -3.592 6.917 -4.316 1.00 0.00 N ATOM 781 CA LYS A 54 -4.890 6.532 -4.858 1.00 0.00 C ATOM 782 C LYS A 54 -5.237 5.098 -4.472 1.00 0.00 C ATOM 783 O LYS A 54 -4.370 4.224 -4.442 1.00 0.00 O ATOM 784 CB LYS A 54 -4.894 6.684 -6.380 1.00 0.00 C ATOM 785 CG LYS A 54 -6.252 6.439 -7.017 1.00 0.00 C ATOM 786 CD LYS A 54 -6.321 7.014 -8.423 1.00 0.00 C ATOM 787 CE LYS A 54 -6.344 8.535 -8.406 1.00 0.00 C ATOM 788 NZ LYS A 54 -5.832 9.111 -9.681 1.00 0.00 N ATOM 0 H LYS A 54 -2.865 6.209 -4.419 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.646 7.193 -4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.559 7.689 -6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.172 5.988 -6.807 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.451 5.368 -7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.030 6.889 -6.401 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.463 6.669 -9.000 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.214 6.642 -8.925 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.363 8.881 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.740 8.898 -7.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.864 10.149 -9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.851 8.801 -9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.424 8.785 -10.472 1.00 0.00 H new ATOM 802 N VAL A 55 -6.511 4.862 -4.177 1.00 0.00 N ATOM 803 CA VAL A 55 -6.972 3.535 -3.792 1.00 0.00 C ATOM 804 C VAL A 55 -8.131 3.078 -4.675 1.00 0.00 C ATOM 805 O VAL A 55 -9.225 3.637 -4.619 1.00 0.00 O ATOM 806 CB VAL A 55 -7.418 3.502 -2.315 1.00 0.00 C ATOM 807 CG1 VAL A 55 -8.569 4.468 -2.081 1.00 0.00 C ATOM 808 CG2 VAL A 55 -7.803 2.089 -1.902 1.00 0.00 C ATOM 0 H VAL A 55 -7.242 5.573 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.130 2.855 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.579 3.819 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.869 4.430 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.251 5.480 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.413 4.187 -2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.114 2.087 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.625 1.739 -2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.946 1.427 -2.026 1.00 0.00 H new ATOM 818 N ASN A 56 -7.880 2.059 -5.489 1.00 0.00 N ATOM 819 CA ASN A 56 -8.900 1.527 -6.384 1.00 0.00 C ATOM 820 C ASN A 56 -9.402 2.602 -7.341 1.00 0.00 C ATOM 821 O ASN A 56 -10.589 2.661 -7.657 1.00 0.00 O ATOM 822 CB ASN A 56 -10.069 0.955 -5.578 1.00 0.00 C ATOM 823 CG ASN A 56 -9.828 -0.478 -5.146 1.00 0.00 C ATOM 824 OD1 ASN A 56 -8.896 -1.133 -5.616 1.00 0.00 O ATOM 825 ND2 ASN A 56 -10.670 -0.975 -4.248 1.00 0.00 N ATOM 0 H ASN A 56 -6.979 1.585 -5.547 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.449 0.728 -6.972 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.236 1.574 -4.696 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.978 1.003 -6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.559 -1.935 -3.921 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.428 -0.397 -3.885 1.00 0.00 H new ATOM 832 N GLY A 57 -8.487 3.447 -7.802 1.00 0.00 N ATOM 833 CA GLY A 57 -8.853 4.507 -8.723 1.00 0.00 C ATOM 834 C GLY A 57 -9.576 5.653 -8.042 1.00 0.00 C ATOM 835 O GLY A 57 -10.328 6.386 -8.683 1.00 0.00 O ATOM 0 H GLY A 57 -7.498 3.417 -7.554 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.954 4.887 -9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.489 4.097 -9.508 1.00 0.00 H new ATOM 839 N THR A 58 -9.352 5.810 -6.739 1.00 0.00 N ATOM 840 CA THR A 58 -9.995 6.879 -5.980 1.00 0.00 C ATOM 841 C THR A 58 -8.983 7.636 -5.124 1.00 0.00 C ATOM 842 O THR A 58 -8.762 7.299 -3.960 1.00 0.00 O ATOM 843 CB THR A 58 -11.106 6.307 -5.096 1.00 0.00 C ATOM 844 OG1 THR A 58 -10.562 5.609 -3.992 1.00 0.00 O ATOM 845 CG2 THR A 58 -12.027 5.359 -5.832 1.00 0.00 C ATOM 0 H THR A 58 -8.733 5.214 -6.190 1.00 0.00 H new ATOM 0 HA THR A 58 -10.429 7.581 -6.692 1.00 0.00 H new ATOM 0 HB THR A 58 -11.686 7.170 -4.768 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.344 4.692 -4.260 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.791 4.990 -5.148 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.504 5.884 -6.660 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.450 4.519 -6.219 1.00 0.00 H new ATOM 945 N HIS A 65 -9.572 4.876 8.359 1.00 0.00 N ATOM 946 CA HIS A 65 -9.008 3.534 8.266 1.00 0.00 C ATOM 947 C HIS A 65 -10.082 2.515 7.895 1.00 0.00 C ATOM 948 O HIS A 65 -9.871 1.664 7.028 1.00 0.00 O ATOM 949 CB HIS A 65 -8.352 3.143 9.592 1.00 0.00 C ATOM 950 CG HIS A 65 -7.562 1.873 9.520 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.480 1.101 8.381 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.813 1.242 10.455 1.00 0.00 C ATOM 953 CE1 HIS A 65 -6.717 0.049 8.618 1.00 0.00 C ATOM 954 NE2 HIS A 65 -6.300 0.111 9.869 1.00 0.00 N ATOM 0 HA HIS A 65 -8.252 3.538 7.481 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.696 3.951 9.915 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.125 3.037 10.353 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -7.937 1.310 7.493 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.650 1.567 11.472 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.476 -0.729 7.909 1.00 0.00 H new ATOM 963 N LEU A 66 -11.234 2.612 8.553 1.00 0.00 N ATOM 964 CA LEU A 66 -12.342 1.699 8.289 1.00 0.00 C ATOM 965 C LEU A 66 -12.713 1.717 6.810 1.00 0.00 C ATOM 966 O LEU A 66 -12.940 0.669 6.200 1.00 0.00 O ATOM 967 CB LEU A 66 -13.556 2.078 9.140 1.00 0.00 C ATOM 968 CG LEU A 66 -13.750 1.235 10.403 1.00 0.00 C ATOM 969 CD1 LEU A 66 -14.102 -0.199 10.038 1.00 0.00 C ATOM 970 CD2 LEU A 66 -12.497 1.275 11.264 1.00 0.00 C ATOM 0 H LEU A 66 -11.424 3.311 9.271 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.026 0.690 8.554 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.465 3.125 9.431 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.452 1.995 8.525 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.576 1.655 10.976 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -14.236 -0.784 10.948 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -15.026 -0.211 9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.297 -0.632 9.444 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.651 0.671 12.158 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.654 0.878 10.698 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.287 2.305 11.553 1.00 0.00 H new ATOM 982 N GLU A 67 -12.763 2.913 6.234 1.00 0.00 N ATOM 983 CA GLU A 67 -13.094 3.064 4.825 1.00 0.00 C ATOM 984 C GLU A 67 -12.013 2.434 3.958 1.00 0.00 C ATOM 985 O GLU A 67 -12.304 1.800 2.944 1.00 0.00 O ATOM 986 CB GLU A 67 -13.258 4.544 4.469 1.00 0.00 C ATOM 987 CG GLU A 67 -14.602 5.122 4.878 1.00 0.00 C ATOM 988 CD GLU A 67 -14.604 5.641 6.303 1.00 0.00 C ATOM 989 OE1 GLU A 67 -14.307 4.851 7.222 1.00 0.00 O ATOM 990 OE2 GLU A 67 -14.906 6.838 6.498 1.00 0.00 O ATOM 0 H GLU A 67 -12.579 3.790 6.722 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.038 2.553 4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.464 5.115 4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.131 4.667 3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.866 5.933 4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.370 4.356 4.773 1.00 0.00 H new ATOM 997 N VAL A 68 -10.761 2.606 4.372 1.00 0.00 N ATOM 998 CA VAL A 68 -9.635 2.046 3.639 1.00 0.00 C ATOM 999 C VAL A 68 -9.666 0.524 3.690 1.00 0.00 C ATOM 1000 O VAL A 68 -9.519 -0.147 2.666 1.00 0.00 O ATOM 1001 CB VAL A 68 -8.289 2.541 4.204 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -7.137 2.092 3.319 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -8.296 4.056 4.356 1.00 0.00 C ATOM 0 H VAL A 68 -10.503 3.128 5.210 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.726 2.381 2.606 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.149 2.101 5.191 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.196 2.452 3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.119 1.003 3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.269 2.499 2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.337 4.386 4.756 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.462 4.519 3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.094 4.350 5.038 1.00 0.00 H new ATOM 1013 N VAL A 69 -9.880 -0.019 4.886 1.00 0.00 N ATOM 1014 CA VAL A 69 -9.946 -1.463 5.055 1.00 0.00 C ATOM 1015 C VAL A 69 -11.164 -2.022 4.331 1.00 0.00 C ATOM 1016 O VAL A 69 -11.086 -3.061 3.676 1.00 0.00 O ATOM 1017 CB VAL A 69 -10.001 -1.865 6.543 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -11.206 -1.240 7.221 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -10.016 -3.381 6.694 1.00 0.00 C ATOM 0 H VAL A 69 -10.009 0.516 5.744 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.037 -1.883 4.625 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.103 -1.488 7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.227 -1.535 8.270 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -11.140 -0.154 7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.117 -1.581 6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.055 -3.641 7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.891 -3.788 6.188 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.113 -3.800 6.251 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.287 -1.314 4.434 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.509 -1.738 3.766 1.00 0.00 C ATOM 1031 C LYS A 70 -13.326 -1.667 2.255 1.00 0.00 C ATOM 1032 O LYS A 70 -13.801 -2.532 1.519 1.00 0.00 O ATOM 1033 CB LYS A 70 -14.692 -0.865 4.195 1.00 0.00 C ATOM 1034 CG LYS A 70 -15.574 -1.512 5.251 1.00 0.00 C ATOM 1035 CD LYS A 70 -14.838 -1.667 6.573 1.00 0.00 C ATOM 1036 CE LYS A 70 -15.706 -2.354 7.614 1.00 0.00 C ATOM 1037 NZ LYS A 70 -15.391 -3.804 7.732 1.00 0.00 N ATOM 0 H LYS A 70 -12.373 -0.451 4.970 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.721 -2.768 4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.313 0.082 4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.298 -0.633 3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.468 -0.907 5.400 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.905 -2.490 4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.927 -2.245 6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.535 -0.686 6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.563 -1.872 8.581 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.756 -2.231 7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.005 -4.235 8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.552 -4.270 6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.396 -3.922 8.010 1.00 0.00 H new ATOM 1051 N LEU A 71 -12.622 -0.633 1.803 1.00 0.00 N ATOM 1052 CA LEU A 71 -12.359 -0.451 0.383 1.00 0.00 C ATOM 1053 C LEU A 71 -11.412 -1.532 -0.122 1.00 0.00 C ATOM 1054 O LEU A 71 -11.620 -2.105 -1.193 1.00 0.00 O ATOM 1055 CB LEU A 71 -11.761 0.935 0.123 1.00 0.00 C ATOM 1056 CG LEU A 71 -12.767 2.006 -0.307 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -13.349 1.675 -1.670 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -13.872 2.145 0.729 1.00 0.00 C ATOM 0 H LEU A 71 -12.224 0.091 2.402 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.303 -0.531 -0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.259 1.273 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.997 0.845 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.244 2.960 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -14.062 2.447 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.547 1.628 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.857 0.712 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.578 2.910 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.392 1.193 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.438 2.431 1.687 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.374 -1.818 0.660 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.404 -2.840 0.291 1.00 0.00 C ATOM 1072 C ILE A 72 -10.019 -4.232 0.410 1.00 0.00 C ATOM 1073 O ILE A 72 -9.809 -5.089 -0.448 1.00 0.00 O ATOM 1074 CB ILE A 72 -8.137 -2.765 1.168 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -7.503 -1.376 1.067 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -7.137 -3.837 0.757 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -6.737 -0.971 2.307 1.00 0.00 C ATOM 0 H ILE A 72 -10.185 -1.357 1.550 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.119 -2.654 -0.745 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.423 -2.943 2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.830 -1.354 0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.285 -0.641 0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.250 -3.768 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.590 -4.821 0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.854 -3.690 -0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.315 0.024 2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.411 -0.960 3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.933 -1.684 2.487 1.00 0.00 H new ATOM 1089 N LYS A 73 -10.783 -4.446 1.479 1.00 0.00 N ATOM 1090 CA LYS A 73 -11.433 -5.732 1.706 1.00 0.00 C ATOM 1091 C LYS A 73 -12.624 -5.919 0.769 1.00 0.00 C ATOM 1092 O LYS A 73 -13.088 -7.039 0.558 1.00 0.00 O ATOM 1093 CB LYS A 73 -11.892 -5.846 3.160 1.00 0.00 C ATOM 1094 CG LYS A 73 -11.939 -7.276 3.671 1.00 0.00 C ATOM 1095 CD LYS A 73 -11.438 -7.375 5.104 1.00 0.00 C ATOM 1096 CE LYS A 73 -10.553 -8.595 5.302 1.00 0.00 C ATOM 1097 NZ LYS A 73 -11.350 -9.820 5.582 1.00 0.00 N ATOM 0 H LYS A 73 -10.966 -3.747 2.199 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.706 -6.517 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.220 -5.265 3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.883 -5.402 3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.962 -7.649 3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.332 -7.913 3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.880 -6.474 5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.288 -7.426 5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.947 -8.752 4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.864 -8.414 6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.709 -10.629 5.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.909 -9.680 6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.989 -10.008 4.784 1.00 0.00 H new ATOM 1111 N SER A 74 -13.118 -4.815 0.212 1.00 0.00 N ATOM 1112 CA SER A 74 -14.260 -4.858 -0.698 1.00 0.00 C ATOM 1113 C SER A 74 -14.061 -5.908 -1.789 1.00 0.00 C ATOM 1114 O SER A 74 -15.028 -6.467 -2.307 1.00 0.00 O ATOM 1115 CB SER A 74 -14.479 -3.483 -1.334 1.00 0.00 C ATOM 1116 OG SER A 74 -15.861 -3.200 -1.473 1.00 0.00 O ATOM 0 H SER A 74 -12.745 -3.880 0.375 1.00 0.00 H new ATOM 0 HA SER A 74 -15.141 -5.133 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.007 -2.716 -0.720 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.998 -3.450 -2.311 1.00 0.00 H new ATOM 0 HG SER A 74 -15.975 -2.316 -1.880 1.00 0.00 H new ATOM 1122 N GLY A 75 -12.804 -6.170 -2.135 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.511 -7.152 -3.164 1.00 0.00 C ATOM 1124 C GLY A 75 -11.172 -7.833 -2.955 1.00 0.00 C ATOM 1125 O GLY A 75 -10.320 -7.332 -2.221 1.00 0.00 O ATOM 0 H GLY A 75 -11.986 -5.722 -1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.299 -7.905 -3.178 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.519 -6.665 -4.139 1.00 0.00 H new ATOM 1129 N SER A 76 -10.990 -8.980 -3.602 1.00 0.00 N ATOM 1130 CA SER A 76 -9.747 -9.734 -3.486 1.00 0.00 C ATOM 1131 C SER A 76 -8.596 -8.989 -4.155 1.00 0.00 C ATOM 1132 O SER A 76 -7.522 -8.832 -3.573 1.00 0.00 O ATOM 1133 CB SER A 76 -9.906 -11.120 -4.116 1.00 0.00 C ATOM 1134 OG SER A 76 -10.602 -11.043 -5.348 1.00 0.00 O ATOM 0 H SER A 76 -11.687 -9.407 -4.212 1.00 0.00 H new ATOM 0 HA SER A 76 -9.517 -9.848 -2.427 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.924 -11.565 -4.277 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.444 -11.775 -3.431 1.00 0.00 H new ATOM 0 HG SER A 76 -9.964 -10.885 -6.075 1.00 0.00 H new ATOM 1140 N TYR A 77 -8.829 -8.528 -5.379 1.00 0.00 N ATOM 1141 CA TYR A 77 -7.815 -7.797 -6.128 1.00 0.00 C ATOM 1142 C TYR A 77 -8.005 -6.291 -5.966 1.00 0.00 C ATOM 1143 O TYR A 77 -9.012 -5.734 -6.401 1.00 0.00 O ATOM 1144 CB TYR A 77 -7.871 -8.172 -7.610 1.00 0.00 C ATOM 1145 CG TYR A 77 -7.821 -9.662 -7.860 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -6.610 -10.343 -7.872 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -8.983 -10.388 -8.083 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -6.557 -11.705 -8.100 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -8.941 -11.751 -8.313 1.00 0.00 C ATOM 1150 CZ TYR A 77 -7.727 -12.404 -8.321 1.00 0.00 C ATOM 1151 OH TYR A 77 -7.679 -13.759 -8.549 1.00 0.00 O ATOM 0 H TYR A 77 -9.713 -8.648 -5.874 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.838 -8.070 -5.730 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.787 -7.770 -8.043 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.038 -7.697 -8.128 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.694 -9.798 -7.700 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.936 -9.880 -8.077 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.607 -12.219 -8.105 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.854 -12.301 -8.485 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.588 -14.100 -8.685 1.00 0.00 H new ATOM 1161 N VAL A 78 -7.035 -5.640 -5.331 1.00 0.00 N ATOM 1162 CA VAL A 78 -7.103 -4.202 -5.110 1.00 0.00 C ATOM 1163 C VAL A 78 -5.827 -3.508 -5.582 1.00 0.00 C ATOM 1164 O VAL A 78 -4.723 -4.011 -5.377 1.00 0.00 O ATOM 1165 CB VAL A 78 -7.337 -3.876 -3.620 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -6.177 -4.373 -2.768 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -7.553 -2.383 -3.426 1.00 0.00 C ATOM 0 H VAL A 78 -6.195 -6.085 -4.962 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.946 -3.831 -5.693 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.239 -4.395 -3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.365 -4.132 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.080 -5.453 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.255 -3.891 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.716 -2.173 -2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.673 -1.840 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.424 -2.064 -3.998 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.991 -2.348 -6.210 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.857 -1.580 -6.708 1.00 0.00 C ATOM 1179 C ALA A 79 -4.736 -0.250 -5.972 1.00 0.00 C ATOM 1180 O ALA A 79 -5.607 0.611 -6.083 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.993 -1.348 -8.205 1.00 0.00 C ATOM 0 H ALA A 79 -6.900 -1.919 -6.386 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.949 -2.154 -6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.139 -0.773 -8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.026 -2.308 -8.720 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.911 -0.796 -8.406 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.653 -0.093 -5.218 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.425 1.133 -4.460 1.00 0.00 C ATOM 1189 C LEU A 80 -2.137 1.822 -4.901 1.00 0.00 C ATOM 1190 O LEU A 80 -1.051 1.254 -4.798 1.00 0.00 O ATOM 1191 CB LEU A 80 -3.361 0.824 -2.963 1.00 0.00 C ATOM 1192 CG LEU A 80 -4.702 0.891 -2.230 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -5.578 -0.292 -2.612 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -4.484 0.930 -0.724 1.00 0.00 C ATOM 0 H LEU A 80 -2.921 -0.796 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.259 1.808 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.942 -0.173 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.671 1.525 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.213 1.807 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.528 -0.228 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.761 -0.277 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.074 -1.220 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.448 0.978 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.953 0.031 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.894 1.809 -0.464 1.00 0.00 H new ATOM 1206 N THR A 81 -2.267 3.054 -5.384 1.00 0.00 N ATOM 1207 CA THR A 81 -1.114 3.826 -5.831 1.00 0.00 C ATOM 1208 C THR A 81 -0.363 4.396 -4.634 1.00 0.00 C ATOM 1209 O THR A 81 -0.886 5.242 -3.908 1.00 0.00 O ATOM 1210 CB THR A 81 -1.556 4.955 -6.759 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.519 4.494 -7.689 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.414 5.565 -7.545 1.00 0.00 C ATOM 0 H THR A 81 -3.160 3.539 -5.476 1.00 0.00 H new ATOM 0 HA THR A 81 -0.447 3.163 -6.381 1.00 0.00 H new ATOM 0 HB THR A 81 -1.975 5.719 -6.104 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.790 5.233 -8.273 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.796 6.361 -8.184 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.323 5.976 -6.856 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.054 4.798 -8.161 1.00 0.00 H new ATOM 1220 N VAL A 82 0.861 3.921 -4.425 1.00 0.00 N ATOM 1221 CA VAL A 82 1.678 4.377 -3.307 1.00 0.00 C ATOM 1222 C VAL A 82 2.887 5.173 -3.784 1.00 0.00 C ATOM 1223 O VAL A 82 3.157 5.256 -4.983 1.00 0.00 O ATOM 1224 CB VAL A 82 2.165 3.191 -2.452 1.00 0.00 C ATOM 1225 CG1 VAL A 82 0.982 2.432 -1.870 1.00 0.00 C ATOM 1226 CG2 VAL A 82 3.050 2.263 -3.275 1.00 0.00 C ATOM 0 H VAL A 82 1.309 3.220 -5.016 1.00 0.00 H new ATOM 0 HA VAL A 82 1.044 5.024 -2.701 1.00 0.00 H new ATOM 0 HB VAL A 82 2.759 3.583 -1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.345 1.598 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.393 3.102 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.359 2.052 -2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.383 1.432 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.484 1.877 -4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.917 2.815 -3.639 1.00 0.00 H new ATOM 1236 N GLN A 83 3.612 5.754 -2.835 1.00 0.00 N ATOM 1237 CA GLN A 83 4.797 6.544 -3.149 1.00 0.00 C ATOM 1238 C GLN A 83 5.943 6.198 -2.205 1.00 0.00 C ATOM 1239 O GLN A 83 5.745 6.052 -0.999 1.00 0.00 O ATOM 1240 CB GLN A 83 4.479 8.038 -3.059 1.00 0.00 C ATOM 1241 CG GLN A 83 5.467 8.918 -3.807 1.00 0.00 C ATOM 1242 CD GLN A 83 5.148 10.393 -3.677 1.00 0.00 C ATOM 1243 OE1 GLN A 83 5.725 11.096 -2.848 1.00 0.00 O ATOM 1244 NE2 GLN A 83 4.223 10.872 -4.502 1.00 0.00 N ATOM 0 H GLN A 83 3.399 5.693 -1.839 1.00 0.00 H new ATOM 0 HA GLN A 83 5.103 6.307 -4.168 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.478 8.212 -3.455 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.463 8.335 -2.010 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.472 8.733 -3.428 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.468 8.642 -4.861 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.770 10.253 -5.174 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.966 11.858 -4.463 1.00 0.00 H new ATOM 1253 N GLY A 84 7.142 6.069 -2.763 1.00 0.00 N ATOM 1254 CA GLY A 84 8.303 5.740 -1.956 1.00 0.00 C ATOM 1255 C GLY A 84 9.464 5.237 -2.790 1.00 0.00 C ATOM 1256 O GLY A 84 9.284 4.398 -3.674 1.00 0.00 O ATOM 0 H GLY A 84 7.331 6.186 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.616 6.623 -1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.029 4.980 -1.224 1.00 0.00 H new