USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 634 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 13 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 17 ASN : amide:sc= 0.0709 K(o=0.071,f=-4.4!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0903 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -157:sc= 0.254 (180deg=0.0966) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0782 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.2) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc=-0.00473 K(o=-0.0047,f=-2.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.196 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -38:sc= 0.343 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 156:sc= -2.16 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -100:sc= -0.0615 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 8.957 15.220 -0.784 1.00 0.00 N ATOM 81 CA PRO A 9 8.566 14.278 0.269 1.00 0.00 C ATOM 82 C PRO A 9 9.303 12.947 0.159 1.00 0.00 C ATOM 83 O PRO A 9 9.196 12.250 -0.850 1.00 0.00 O ATOM 84 CB PRO A 9 7.067 14.081 0.031 1.00 0.00 C ATOM 85 CG PRO A 9 6.871 14.379 -1.416 1.00 0.00 C ATOM 86 CD PRO A 9 7.876 15.444 -1.759 1.00 0.00 C ATOM 0 HA PRO A 9 8.807 14.655 1.263 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.758 13.064 0.271 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.476 14.750 0.657 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.025 13.487 -2.023 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.855 14.724 -1.609 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.233 15.345 -2.784 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.451 16.443 -1.665 1.00 0.00 H new ATOM 94 N ILE A 10 10.049 12.601 1.202 1.00 0.00 N ATOM 95 CA ILE A 10 10.801 11.353 1.223 1.00 0.00 C ATOM 96 C ILE A 10 10.042 10.265 1.975 1.00 0.00 C ATOM 97 O ILE A 10 9.240 10.555 2.863 1.00 0.00 O ATOM 98 CB ILE A 10 12.185 11.540 1.872 1.00 0.00 C ATOM 99 CG1 ILE A 10 13.122 12.288 0.921 1.00 0.00 C ATOM 100 CG2 ILE A 10 12.777 10.192 2.256 1.00 0.00 C ATOM 101 CD1 ILE A 10 13.594 11.449 -0.246 1.00 0.00 C ATOM 0 H ILE A 10 10.149 13.168 2.044 1.00 0.00 H new ATOM 0 HA ILE A 10 10.934 11.048 0.185 1.00 0.00 H new ATOM 0 HB ILE A 10 12.067 12.134 2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.610 13.171 0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.989 12.639 1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.755 10.341 2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.117 9.694 2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.884 9.574 1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.254 12.043 -0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.135 10.579 0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.734 11.119 -0.829 1.00 0.00 H new ATOM 113 N ILE A 11 10.301 9.013 1.614 1.00 0.00 N ATOM 114 CA ILE A 11 9.644 7.882 2.257 1.00 0.00 C ATOM 115 C ILE A 11 10.644 7.040 3.043 1.00 0.00 C ATOM 116 O ILE A 11 11.397 6.253 2.469 1.00 0.00 O ATOM 117 CB ILE A 11 8.933 6.985 1.227 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.669 7.672 0.707 1.00 0.00 C ATOM 119 CG2 ILE A 11 8.593 5.636 1.845 1.00 0.00 C ATOM 120 CD1 ILE A 11 7.139 7.071 -0.576 1.00 0.00 C ATOM 0 H ILE A 11 10.961 8.756 0.880 1.00 0.00 H new ATOM 0 HA ILE A 11 8.902 8.294 2.941 1.00 0.00 H new ATOM 0 HB ILE A 11 9.606 6.819 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.894 7.617 1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.881 8.729 0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.091 5.013 1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.509 5.144 2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.935 5.784 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.242 7.608 -0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.897 7.150 -1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.895 6.021 -0.413 1.00 0.00 H new ATOM 132 N LEU A 12 10.644 7.210 4.361 1.00 0.00 N ATOM 133 CA LEU A 12 11.550 6.465 5.228 1.00 0.00 C ATOM 134 C LEU A 12 11.440 4.965 4.969 1.00 0.00 C ATOM 135 O LEU A 12 12.422 4.315 4.613 1.00 0.00 O ATOM 136 CB LEU A 12 11.243 6.764 6.696 1.00 0.00 C ATOM 137 CG LEU A 12 11.263 8.239 7.099 1.00 0.00 C ATOM 138 CD1 LEU A 12 10.493 8.450 8.393 1.00 0.00 C ATOM 139 CD2 LEU A 12 12.694 8.735 7.241 1.00 0.00 C ATOM 0 H LEU A 12 10.027 7.857 4.852 1.00 0.00 H new ATOM 0 HA LEU A 12 12.569 6.780 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.259 6.357 6.931 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.965 6.229 7.314 1.00 0.00 H new ATOM 0 HG LEU A 12 10.777 8.816 6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.518 9.506 8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.458 8.135 8.256 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.949 7.861 9.188 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.688 9.786 7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.207 8.153 8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.214 8.622 6.290 1.00 0.00 H new ATOM 151 N GLN A 13 10.239 4.425 5.150 1.00 0.00 N ATOM 152 CA GLN A 13 10.002 3.003 4.935 1.00 0.00 C ATOM 153 C GLN A 13 8.731 2.780 4.120 1.00 0.00 C ATOM 154 O GLN A 13 7.622 2.882 4.642 1.00 0.00 O ATOM 155 CB GLN A 13 9.897 2.273 6.275 1.00 0.00 C ATOM 156 CG GLN A 13 10.195 0.785 6.183 1.00 0.00 C ATOM 157 CD GLN A 13 10.065 0.080 7.518 1.00 0.00 C ATOM 158 OE1 GLN A 13 9.059 0.225 8.214 1.00 0.00 O ATOM 159 NE2 GLN A 13 11.083 -0.690 7.884 1.00 0.00 N ATOM 0 H GLN A 13 9.416 4.950 5.445 1.00 0.00 H new ATOM 0 HA GLN A 13 10.846 2.600 4.375 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.588 2.730 6.983 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.893 2.410 6.676 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.514 0.326 5.466 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.205 0.644 5.799 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.897 -0.782 7.277 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.051 -1.190 8.773 1.00 0.00 H new ATOM 168 N GLY A 14 8.902 2.476 2.838 1.00 0.00 N ATOM 169 CA GLY A 14 7.761 2.244 1.972 1.00 0.00 C ATOM 170 C GLY A 14 7.387 0.777 1.885 1.00 0.00 C ATOM 171 O GLY A 14 7.860 -0.053 2.662 1.00 0.00 O ATOM 0 H GLY A 14 9.810 2.386 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.907 2.812 2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.985 2.618 0.973 1.00 0.00 H new ATOM 175 N PRO A 15 6.518 0.440 0.921 1.00 0.00 N ATOM 176 CA PRO A 15 6.061 -0.937 0.713 1.00 0.00 C ATOM 177 C PRO A 15 7.164 -1.838 0.169 1.00 0.00 C ATOM 178 O PRO A 15 8.295 -1.397 -0.034 1.00 0.00 O ATOM 179 CB PRO A 15 4.938 -0.787 -0.316 1.00 0.00 C ATOM 180 CG PRO A 15 5.259 0.471 -1.046 1.00 0.00 C ATOM 181 CD PRO A 15 5.915 1.378 -0.042 1.00 0.00 C ATOM 0 HA PRO A 15 5.744 -1.406 1.645 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.905 -1.640 -0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.963 -0.726 0.168 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.924 0.275 -1.887 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.356 0.927 -1.453 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.667 2.015 -0.507 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.191 2.037 0.438 1.00 0.00 H new ATOM 189 N ALA A 16 6.828 -3.103 -0.065 1.00 0.00 N ATOM 190 CA ALA A 16 7.790 -4.065 -0.588 1.00 0.00 C ATOM 191 C ALA A 16 7.088 -5.314 -1.110 1.00 0.00 C ATOM 192 O ALA A 16 6.023 -5.689 -0.622 1.00 0.00 O ATOM 193 CB ALA A 16 8.802 -4.436 0.486 1.00 0.00 C ATOM 0 H ALA A 16 5.897 -3.485 0.100 1.00 0.00 H new ATOM 0 HA ALA A 16 8.316 -3.600 -1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.514 -5.155 0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.334 -3.541 0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.284 -4.878 1.337 1.00 0.00 H new ATOM 199 N ASN A 17 7.692 -5.954 -2.106 1.00 0.00 N ATOM 200 CA ASN A 17 7.124 -7.160 -2.696 1.00 0.00 C ATOM 201 C ASN A 17 6.933 -8.244 -1.639 1.00 0.00 C ATOM 202 O ASN A 17 7.903 -8.759 -1.083 1.00 0.00 O ATOM 203 CB ASN A 17 8.026 -7.679 -3.817 1.00 0.00 C ATOM 204 CG ASN A 17 9.462 -7.864 -3.365 1.00 0.00 C ATOM 205 OD1 ASN A 17 10.106 -6.922 -2.903 1.00 0.00 O ATOM 206 ND2 ASN A 17 9.971 -9.084 -3.497 1.00 0.00 N ATOM 0 H ASN A 17 8.575 -5.657 -2.521 1.00 0.00 H new ATOM 0 HA ASN A 17 6.149 -6.906 -3.112 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.637 -8.630 -4.181 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.998 -6.981 -4.654 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.932 -9.269 -3.210 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.401 -9.835 -3.885 1.00 0.00 H new ATOM 213 N GLN A 18 5.677 -8.585 -1.369 1.00 0.00 N ATOM 214 CA GLN A 18 5.360 -9.608 -0.379 1.00 0.00 C ATOM 215 C GLN A 18 4.414 -10.653 -0.960 1.00 0.00 C ATOM 216 O GLN A 18 3.611 -10.356 -1.846 1.00 0.00 O ATOM 217 CB GLN A 18 4.734 -8.969 0.862 1.00 0.00 C ATOM 218 CG GLN A 18 3.821 -7.795 0.547 1.00 0.00 C ATOM 219 CD GLN A 18 3.420 -7.020 1.787 1.00 0.00 C ATOM 220 OE1 GLN A 18 3.170 -7.601 2.843 1.00 0.00 O ATOM 221 NE2 GLN A 18 3.356 -5.699 1.664 1.00 0.00 N ATOM 0 H GLN A 18 4.863 -8.168 -1.821 1.00 0.00 H new ATOM 0 HA GLN A 18 6.288 -10.104 -0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.166 -9.726 1.403 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.529 -8.632 1.527 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.325 -7.124 -0.149 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.925 -8.161 0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.572 -5.259 0.769 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.091 -5.125 2.464 1.00 0.00 H new ATOM 230 N THR A 19 4.513 -11.879 -0.456 1.00 0.00 N ATOM 231 CA THR A 19 3.667 -12.969 -0.926 1.00 0.00 C ATOM 232 C THR A 19 2.756 -13.477 0.186 1.00 0.00 C ATOM 233 O THR A 19 3.193 -14.208 1.075 1.00 0.00 O ATOM 234 CB THR A 19 4.509 -14.143 -1.461 1.00 0.00 C ATOM 235 OG1 THR A 19 5.379 -13.687 -2.503 1.00 0.00 O ATOM 236 CG2 THR A 19 3.614 -15.254 -1.990 1.00 0.00 C ATOM 0 H THR A 19 5.171 -12.142 0.278 1.00 0.00 H new ATOM 0 HA THR A 19 3.058 -12.569 -1.737 1.00 0.00 H new ATOM 0 HB THR A 19 5.105 -14.539 -0.638 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.912 -14.439 -2.837 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.231 -16.072 -2.362 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.974 -15.619 -1.187 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.995 -14.868 -2.800 1.00 0.00 H new ATOM 244 N LEU A 20 1.487 -13.085 0.130 1.00 0.00 N ATOM 245 CA LEU A 20 0.513 -13.502 1.132 1.00 0.00 C ATOM 246 C LEU A 20 -0.461 -14.523 0.554 1.00 0.00 C ATOM 247 O LEU A 20 -0.378 -14.878 -0.621 1.00 0.00 O ATOM 248 CB LEU A 20 -0.255 -12.289 1.660 1.00 0.00 C ATOM 249 CG LEU A 20 0.587 -11.198 2.322 1.00 0.00 C ATOM 250 CD1 LEU A 20 -0.242 -9.941 2.537 1.00 0.00 C ATOM 251 CD2 LEU A 20 1.160 -11.693 3.642 1.00 0.00 C ATOM 0 H LEU A 20 1.109 -12.479 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 20 1.053 -13.969 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.805 -11.843 0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.994 -12.638 2.381 1.00 0.00 H new ATOM 0 HG LEU A 20 1.416 -10.953 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.374 -9.175 3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.603 -9.575 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.091 -10.171 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.756 -10.903 4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.345 -11.966 4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.789 -12.564 3.461 1.00 0.00 H new ATOM 263 N ALA A 21 -1.386 -14.989 1.387 1.00 0.00 N ATOM 264 CA ALA A 21 -2.379 -15.966 0.957 1.00 0.00 C ATOM 265 C ALA A 21 -3.732 -15.304 0.718 1.00 0.00 C ATOM 266 O ALA A 21 -4.113 -14.374 1.429 1.00 0.00 O ATOM 267 CB ALA A 21 -2.507 -17.077 1.989 1.00 0.00 C ATOM 0 H ALA A 21 -1.468 -14.706 2.363 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.044 -16.398 0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.252 -17.800 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.545 -17.576 2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.816 -16.652 2.944 1.00 0.00 H new ATOM 273 N VAL A 22 -4.453 -15.789 -0.287 1.00 0.00 N ATOM 274 CA VAL A 22 -5.765 -15.245 -0.619 1.00 0.00 C ATOM 275 C VAL A 22 -6.747 -15.439 0.530 1.00 0.00 C ATOM 276 O VAL A 22 -6.516 -16.249 1.428 1.00 0.00 O ATOM 277 CB VAL A 22 -6.339 -15.902 -1.889 1.00 0.00 C ATOM 278 CG1 VAL A 22 -6.783 -17.327 -1.598 1.00 0.00 C ATOM 279 CG2 VAL A 22 -7.494 -15.077 -2.438 1.00 0.00 C ATOM 0 H VAL A 22 -4.151 -16.558 -0.886 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.630 -14.179 -0.800 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.555 -15.938 -2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.186 -17.775 -2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.930 -17.911 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.552 -17.318 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.888 -15.555 -3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.281 -15.009 -1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.141 -14.076 -2.685 1.00 0.00 H new ATOM 289 N ASP A 23 -7.845 -14.691 0.495 1.00 0.00 N ATOM 290 CA ASP A 23 -8.865 -14.781 1.533 1.00 0.00 C ATOM 291 C ASP A 23 -8.259 -14.543 2.912 1.00 0.00 C ATOM 292 O ASP A 23 -8.484 -15.317 3.842 1.00 0.00 O ATOM 293 CB ASP A 23 -9.546 -16.150 1.491 1.00 0.00 C ATOM 294 CG ASP A 23 -10.678 -16.203 0.484 1.00 0.00 C ATOM 295 OD1 ASP A 23 -11.747 -15.620 0.761 1.00 0.00 O ATOM 296 OD2 ASP A 23 -10.495 -16.826 -0.583 1.00 0.00 O ATOM 0 H ASP A 23 -8.051 -14.016 -0.241 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.609 -14.007 1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.807 -16.912 1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.933 -16.391 2.481 1.00 0.00 H new ATOM 301 N GLY A 24 -7.488 -13.467 3.037 1.00 0.00 N ATOM 302 CA GLY A 24 -6.861 -13.147 4.306 1.00 0.00 C ATOM 303 C GLY A 24 -6.815 -11.655 4.570 1.00 0.00 C ATOM 304 O GLY A 24 -7.841 -10.976 4.525 1.00 0.00 O ATOM 0 H GLY A 24 -7.287 -12.811 2.282 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.406 -13.639 5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.847 -13.546 4.318 1.00 0.00 H new ATOM 308 N THR A 25 -5.621 -11.141 4.848 1.00 0.00 N ATOM 309 CA THR A 25 -5.445 -9.721 5.123 1.00 0.00 C ATOM 310 C THR A 25 -4.091 -9.228 4.626 1.00 0.00 C ATOM 311 O THR A 25 -3.048 -9.618 5.149 1.00 0.00 O ATOM 312 CB THR A 25 -5.566 -9.421 6.629 1.00 0.00 C ATOM 313 OG1 THR A 25 -6.520 -10.305 7.229 1.00 0.00 O ATOM 314 CG2 THR A 25 -5.988 -7.978 6.862 1.00 0.00 C ATOM 0 H THR A 25 -4.761 -11.688 4.889 1.00 0.00 H new ATOM 0 HA THR A 25 -6.238 -9.196 4.590 1.00 0.00 H new ATOM 0 HB THR A 25 -4.589 -9.575 7.087 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.590 -10.109 8.187 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.067 -7.790 7.933 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.245 -7.307 6.430 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.955 -7.801 6.391 1.00 0.00 H new ATOM 322 N ALA A 26 -4.115 -8.367 3.614 1.00 0.00 N ATOM 323 CA ALA A 26 -2.889 -7.818 3.049 1.00 0.00 C ATOM 324 C ALA A 26 -2.648 -6.393 3.536 1.00 0.00 C ATOM 325 O ALA A 26 -3.403 -5.478 3.206 1.00 0.00 O ATOM 326 CB ALA A 26 -2.945 -7.855 1.529 1.00 0.00 C ATOM 0 H ALA A 26 -4.970 -8.035 3.169 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.056 -8.435 3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.023 -7.442 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.060 -8.886 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.792 -7.264 1.182 1.00 0.00 H new ATOM 332 N LEU A 27 -1.594 -6.212 4.324 1.00 0.00 N ATOM 333 CA LEU A 27 -1.255 -4.898 4.858 1.00 0.00 C ATOM 334 C LEU A 27 0.013 -4.356 4.206 1.00 0.00 C ATOM 335 O LEU A 27 0.888 -5.120 3.795 1.00 0.00 O ATOM 336 CB LEU A 27 -1.069 -4.974 6.374 1.00 0.00 C ATOM 337 CG LEU A 27 -2.322 -4.732 7.217 1.00 0.00 C ATOM 338 CD1 LEU A 27 -3.198 -5.976 7.241 1.00 0.00 C ATOM 339 CD2 LEU A 27 -1.942 -4.318 8.631 1.00 0.00 C ATOM 0 H LEU A 27 -0.959 -6.959 4.607 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.077 -4.219 4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.673 -5.959 6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.313 -4.244 6.664 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.891 -3.921 6.763 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.085 -5.785 7.845 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.499 -6.228 6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.638 -6.807 7.670 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.846 -4.150 9.216 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.351 -5.108 9.095 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.356 -3.399 8.596 1.00 0.00 H new ATOM 351 N LEU A 28 0.107 -3.034 4.116 1.00 0.00 N ATOM 352 CA LEU A 28 1.270 -2.389 3.516 1.00 0.00 C ATOM 353 C LEU A 28 1.845 -1.327 4.448 1.00 0.00 C ATOM 354 O LEU A 28 1.105 -0.567 5.073 1.00 0.00 O ATOM 355 CB LEU A 28 0.891 -1.756 2.176 1.00 0.00 C ATOM 356 CG LEU A 28 0.636 -2.727 1.023 1.00 0.00 C ATOM 357 CD1 LEU A 28 -0.685 -3.454 1.219 1.00 0.00 C ATOM 358 CD2 LEU A 28 0.649 -1.990 -0.309 1.00 0.00 C ATOM 0 H LEU A 28 -0.608 -2.388 4.451 1.00 0.00 H new ATOM 0 HA LEU A 28 2.032 -3.151 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.006 -1.154 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.688 -1.074 1.881 1.00 0.00 H new ATOM 0 HG LEU A 28 1.436 -3.467 1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.849 -4.141 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.657 -4.015 2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.498 -2.728 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.466 -2.697 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.130 -1.227 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.620 -1.517 -0.454 1.00 0.00 H new ATOM 370 N LYS A 29 3.170 -1.280 4.536 1.00 0.00 N ATOM 371 CA LYS A 29 3.846 -0.310 5.388 1.00 0.00 C ATOM 372 C LYS A 29 4.423 0.834 4.560 1.00 0.00 C ATOM 373 O LYS A 29 5.214 0.613 3.643 1.00 0.00 O ATOM 374 CB LYS A 29 4.963 -0.990 6.184 1.00 0.00 C ATOM 375 CG LYS A 29 4.462 -1.780 7.381 1.00 0.00 C ATOM 376 CD LYS A 29 3.851 -3.105 6.959 1.00 0.00 C ATOM 377 CE LYS A 29 3.185 -3.811 8.130 1.00 0.00 C ATOM 378 NZ LYS A 29 4.170 -4.558 8.960 1.00 0.00 N ATOM 0 H LYS A 29 3.797 -1.903 4.027 1.00 0.00 H new ATOM 0 HA LYS A 29 3.111 0.100 6.081 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.514 -1.659 5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.666 -0.232 6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.287 -1.962 8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.720 -1.192 7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.117 -2.934 6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.626 -3.747 6.539 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.669 -3.078 8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.428 -4.501 7.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.677 -5.025 9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.644 -5.275 8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.878 -3.896 9.338 1.00 0.00 H new ATOM 392 N CYS A 30 4.023 2.058 4.890 1.00 0.00 N ATOM 393 CA CYS A 30 4.500 3.237 4.177 1.00 0.00 C ATOM 394 C CYS A 30 4.621 4.430 5.120 1.00 0.00 C ATOM 395 O CYS A 30 3.630 4.888 5.691 1.00 0.00 O ATOM 396 CB CYS A 30 3.556 3.578 3.023 1.00 0.00 C ATOM 397 SG CYS A 30 4.321 4.580 1.708 1.00 0.00 S ATOM 0 H CYS A 30 3.369 2.259 5.647 1.00 0.00 H new ATOM 0 HA CYS A 30 5.488 3.013 3.774 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.182 2.651 2.588 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.694 4.115 3.419 1.00 0.00 H new ATOM 402 N LYS A 31 5.841 4.931 5.279 1.00 0.00 N ATOM 403 CA LYS A 31 6.093 6.072 6.151 1.00 0.00 C ATOM 404 C LYS A 31 6.885 7.151 5.420 1.00 0.00 C ATOM 405 O LYS A 31 7.947 6.883 4.859 1.00 0.00 O ATOM 406 CB LYS A 31 6.853 5.626 7.402 1.00 0.00 C ATOM 407 CG LYS A 31 7.348 6.780 8.257 1.00 0.00 C ATOM 408 CD LYS A 31 6.295 7.224 9.258 1.00 0.00 C ATOM 409 CE LYS A 31 5.263 8.137 8.613 1.00 0.00 C ATOM 410 NZ LYS A 31 4.623 9.041 9.608 1.00 0.00 N ATOM 0 H LYS A 31 6.672 4.564 4.815 1.00 0.00 H new ATOM 0 HA LYS A 31 5.131 6.490 6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.203 4.991 8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.705 5.016 7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.252 6.480 8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.619 7.619 7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.797 6.349 9.677 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.775 7.744 10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.741 8.733 7.836 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.497 7.533 8.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.926 9.647 9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.145 8.473 10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.350 9.636 10.055 1.00 0.00 H new ATOM 424 N ALA A 32 6.361 8.373 5.431 1.00 0.00 N ATOM 425 CA ALA A 32 7.021 9.493 4.772 1.00 0.00 C ATOM 426 C ALA A 32 7.127 10.694 5.704 1.00 0.00 C ATOM 427 O ALA A 32 6.374 10.811 6.672 1.00 0.00 O ATOM 428 CB ALA A 32 6.275 9.872 3.501 1.00 0.00 C ATOM 0 H ALA A 32 5.482 8.612 5.889 1.00 0.00 H new ATOM 0 HA ALA A 32 8.032 9.182 4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.779 10.710 3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.257 9.020 2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.253 10.158 3.750 1.00 0.00 H new ATOM 434 N THR A 33 8.066 11.587 5.408 1.00 0.00 N ATOM 435 CA THR A 33 8.271 12.779 6.222 1.00 0.00 C ATOM 436 C THR A 33 8.465 14.014 5.349 1.00 0.00 C ATOM 437 O THR A 33 8.969 13.922 4.230 1.00 0.00 O ATOM 438 CB THR A 33 9.491 12.624 7.149 1.00 0.00 C ATOM 439 OG1 THR A 33 9.638 13.791 7.965 1.00 0.00 O ATOM 440 CG2 THR A 33 10.760 12.400 6.341 1.00 0.00 C ATOM 0 H THR A 33 8.697 11.507 4.610 1.00 0.00 H new ATOM 0 HA THR A 33 7.375 12.904 6.830 1.00 0.00 H new ATOM 0 HB THR A 33 9.327 11.755 7.786 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.415 13.684 8.553 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.608 12.293 7.017 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.656 11.494 5.744 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.927 13.252 5.682 1.00 0.00 H new ATOM 448 N GLY A 34 8.062 15.170 5.868 1.00 0.00 N ATOM 449 CA GLY A 34 8.200 16.407 5.122 1.00 0.00 C ATOM 450 C GLY A 34 7.170 17.444 5.522 1.00 0.00 C ATOM 451 O GLY A 34 6.104 17.104 6.036 1.00 0.00 O ATOM 0 H GLY A 34 7.642 15.272 6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.199 16.813 5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.105 16.197 4.057 1.00 0.00 H new ATOM 455 N ASP A 35 7.489 18.712 5.289 1.00 0.00 N ATOM 456 CA ASP A 35 6.583 19.803 5.630 1.00 0.00 C ATOM 457 C ASP A 35 6.284 20.664 4.406 1.00 0.00 C ATOM 458 O ASP A 35 7.184 21.210 3.766 1.00 0.00 O ATOM 459 CB ASP A 35 7.185 20.666 6.741 1.00 0.00 C ATOM 460 CG ASP A 35 6.272 21.807 7.146 1.00 0.00 C ATOM 461 OD1 ASP A 35 5.077 21.549 7.401 1.00 0.00 O ATOM 462 OD2 ASP A 35 6.754 22.957 7.208 1.00 0.00 O ATOM 0 H ASP A 35 8.368 19.010 4.866 1.00 0.00 H new ATOM 0 HA ASP A 35 5.648 19.369 5.984 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.390 20.042 7.611 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.140 21.070 6.406 1.00 0.00 H new ATOM 467 N PRO A 36 4.992 20.788 4.071 1.00 0.00 N ATOM 468 CA PRO A 36 3.913 20.143 4.825 1.00 0.00 C ATOM 469 C PRO A 36 3.913 18.627 4.655 1.00 0.00 C ATOM 470 O PRO A 36 4.478 18.100 3.696 1.00 0.00 O ATOM 471 CB PRO A 36 2.645 20.749 4.220 1.00 0.00 C ATOM 472 CG PRO A 36 3.040 21.156 2.842 1.00 0.00 C ATOM 473 CD PRO A 36 4.483 21.568 2.930 1.00 0.00 C ATOM 0 HA PRO A 36 4.010 20.309 5.898 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.830 20.025 4.201 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.298 21.604 4.801 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.911 20.332 2.140 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.420 21.979 2.485 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.024 21.337 2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.585 22.640 3.099 1.00 0.00 H new ATOM 481 N LEU A 37 3.274 17.932 5.589 1.00 0.00 N ATOM 482 CA LEU A 37 3.200 16.476 5.542 1.00 0.00 C ATOM 483 C LEU A 37 2.540 16.006 4.249 1.00 0.00 C ATOM 484 O LEU A 37 1.510 16.529 3.823 1.00 0.00 O ATOM 485 CB LEU A 37 2.421 15.946 6.747 1.00 0.00 C ATOM 486 CG LEU A 37 3.241 15.679 8.011 1.00 0.00 C ATOM 487 CD1 LEU A 37 4.269 14.587 7.759 1.00 0.00 C ATOM 488 CD2 LEU A 37 3.920 16.955 8.485 1.00 0.00 C ATOM 0 H LEU A 37 2.800 18.353 6.388 1.00 0.00 H new ATOM 0 HA LEU A 37 4.217 16.084 5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.637 16.662 6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.927 15.019 6.456 1.00 0.00 H new ATOM 0 HG LEU A 37 2.565 15.339 8.795 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.843 14.411 8.669 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.760 13.668 7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.942 14.898 6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.499 16.747 9.385 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.584 17.325 7.704 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.164 17.709 8.706 1.00 0.00 H new ATOM 500 N PRO A 38 3.144 14.993 3.611 1.00 0.00 N ATOM 501 CA PRO A 38 2.631 14.428 2.359 1.00 0.00 C ATOM 502 C PRO A 38 1.332 13.655 2.562 1.00 0.00 C ATOM 503 O PRO A 38 1.069 13.136 3.646 1.00 0.00 O ATOM 504 CB PRO A 38 3.750 13.485 1.910 1.00 0.00 C ATOM 505 CG PRO A 38 4.460 13.115 3.166 1.00 0.00 C ATOM 506 CD PRO A 38 4.374 14.321 4.061 1.00 0.00 C ATOM 0 HA PRO A 38 2.390 15.202 1.631 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.348 12.605 1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.422 13.975 1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.997 12.247 3.635 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.498 12.852 2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.316 14.038 5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.247 14.965 3.952 1.00 0.00 H new ATOM 514 N VAL A 39 0.522 13.582 1.510 1.00 0.00 N ATOM 515 CA VAL A 39 -0.750 12.871 1.572 1.00 0.00 C ATOM 516 C VAL A 39 -0.615 11.456 1.020 1.00 0.00 C ATOM 517 O VAL A 39 -0.940 11.198 -0.139 1.00 0.00 O ATOM 518 CB VAL A 39 -1.847 13.614 0.788 1.00 0.00 C ATOM 519 CG1 VAL A 39 -3.117 12.779 0.725 1.00 0.00 C ATOM 520 CG2 VAL A 39 -2.123 14.972 1.416 1.00 0.00 C ATOM 0 H VAL A 39 0.724 14.006 0.605 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.035 12.823 2.623 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.496 13.775 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.881 13.320 0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.906 11.833 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.475 12.585 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.901 15.484 0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.454 14.836 2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.212 15.570 1.404 1.00 0.00 H new ATOM 530 N ILE A 40 -0.135 10.543 1.858 1.00 0.00 N ATOM 531 CA ILE A 40 0.041 9.154 1.454 1.00 0.00 C ATOM 532 C ILE A 40 -1.091 8.700 0.538 1.00 0.00 C ATOM 533 O ILE A 40 -2.247 9.079 0.729 1.00 0.00 O ATOM 534 CB ILE A 40 0.106 8.217 2.674 1.00 0.00 C ATOM 535 CG1 ILE A 40 1.255 8.626 3.598 1.00 0.00 C ATOM 536 CG2 ILE A 40 0.270 6.773 2.224 1.00 0.00 C ATOM 537 CD1 ILE A 40 2.615 8.549 2.942 1.00 0.00 C ATOM 0 H ILE A 40 0.139 10.741 2.821 1.00 0.00 H new ATOM 0 HA ILE A 40 0.986 9.100 0.914 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.829 8.301 3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.086 9.645 3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.249 7.984 4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.314 6.123 3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.578 6.487 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.191 6.673 1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.381 8.853 3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.806 7.526 2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.640 9.213 2.078 1.00 0.00 H new ATOM 549 N SER A 41 -0.751 7.885 -0.455 1.00 0.00 N ATOM 550 CA SER A 41 -1.739 7.381 -1.402 1.00 0.00 C ATOM 551 C SER A 41 -1.323 6.017 -1.946 1.00 0.00 C ATOM 552 O SER A 41 -0.192 5.574 -1.742 1.00 0.00 O ATOM 553 CB SER A 41 -1.922 8.369 -2.555 1.00 0.00 C ATOM 554 OG SER A 41 -3.227 8.281 -3.099 1.00 0.00 O ATOM 0 H SER A 41 0.201 7.560 -0.625 1.00 0.00 H new ATOM 0 HA SER A 41 -2.687 7.269 -0.876 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.740 9.384 -2.201 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.186 8.166 -3.333 1.00 0.00 H new ATOM 0 HG SER A 41 -3.319 8.924 -3.833 1.00 0.00 H new ATOM 560 N TRP A 42 -2.244 5.358 -2.639 1.00 0.00 N ATOM 561 CA TRP A 42 -1.973 4.045 -3.214 1.00 0.00 C ATOM 562 C TRP A 42 -2.557 3.935 -4.618 1.00 0.00 C ATOM 563 O TRP A 42 -3.760 4.110 -4.817 1.00 0.00 O ATOM 564 CB TRP A 42 -2.551 2.946 -2.320 1.00 0.00 C ATOM 565 CG TRP A 42 -1.967 2.935 -0.940 1.00 0.00 C ATOM 566 CD1 TRP A 42 -2.536 3.438 0.195 1.00 0.00 C ATOM 567 CD2 TRP A 42 -0.699 2.396 -0.550 1.00 0.00 C ATOM 568 NE1 TRP A 42 -1.699 3.244 1.267 1.00 0.00 N ATOM 569 CE2 TRP A 42 -0.566 2.606 0.836 1.00 0.00 C ATOM 570 CE3 TRP A 42 0.335 1.754 -1.237 1.00 0.00 C ATOM 571 CZ2 TRP A 42 0.561 2.198 1.545 1.00 0.00 C ATOM 572 CZ3 TRP A 42 1.452 1.350 -0.531 1.00 0.00 C ATOM 573 CH2 TRP A 42 1.558 1.572 0.848 1.00 0.00 C ATOM 0 H TRP A 42 -3.185 5.711 -2.817 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.892 3.920 -3.280 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.631 3.076 -2.249 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.377 1.977 -2.788 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.502 3.918 0.243 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.890 3.529 2.228 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.262 1.577 -2.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.645 2.370 2.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.258 0.854 -1.052 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.444 1.243 1.371 1.00 0.00 H new ATOM 584 N LEU A 43 -1.699 3.643 -5.589 1.00 0.00 N ATOM 585 CA LEU A 43 -2.130 3.509 -6.977 1.00 0.00 C ATOM 586 C LEU A 43 -2.066 2.054 -7.428 1.00 0.00 C ATOM 587 O LEU A 43 -0.989 1.462 -7.503 1.00 0.00 O ATOM 588 CB LEU A 43 -1.260 4.376 -7.888 1.00 0.00 C ATOM 589 CG LEU A 43 -1.445 5.888 -7.752 1.00 0.00 C ATOM 590 CD1 LEU A 43 -0.495 6.628 -8.681 1.00 0.00 C ATOM 591 CD2 LEU A 43 -2.887 6.277 -8.042 1.00 0.00 C ATOM 0 H LEU A 43 -0.701 3.494 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.164 3.846 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.214 4.139 -7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.461 4.097 -8.922 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.212 6.172 -6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.641 7.702 -8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.534 6.374 -8.427 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.696 6.339 -9.713 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.000 7.356 -7.940 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.147 5.979 -9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.548 5.775 -7.336 1.00 0.00 H new ATOM 603 N LYS A 44 -3.227 1.482 -7.731 1.00 0.00 N ATOM 604 CA LYS A 44 -3.304 0.097 -8.179 1.00 0.00 C ATOM 605 C LYS A 44 -3.267 0.015 -9.702 1.00 0.00 C ATOM 606 O LYS A 44 -4.274 0.248 -10.369 1.00 0.00 O ATOM 607 CB LYS A 44 -4.582 -0.561 -7.653 1.00 0.00 C ATOM 608 CG LYS A 44 -4.748 -2.005 -8.093 1.00 0.00 C ATOM 609 CD LYS A 44 -5.677 -2.767 -7.163 1.00 0.00 C ATOM 610 CE LYS A 44 -5.504 -4.271 -7.312 1.00 0.00 C ATOM 611 NZ LYS A 44 -5.883 -4.999 -6.069 1.00 0.00 N ATOM 0 H LYS A 44 -4.128 1.957 -7.674 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.439 -0.435 -7.783 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.580 -0.520 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.443 0.015 -7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.144 -2.034 -9.108 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.774 -2.494 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.478 -2.477 -6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.711 -2.496 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.115 -4.626 -8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.467 -4.494 -7.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.408 -5.924 -6.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.592 -4.444 -5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.913 -5.138 -6.049 1.00 0.00 H new ATOM 625 N GLU A 45 -2.100 -0.319 -10.244 1.00 0.00 N ATOM 626 CA GLU A 45 -1.934 -0.432 -11.688 1.00 0.00 C ATOM 627 C GLU A 45 -2.274 0.885 -12.380 1.00 0.00 C ATOM 628 O GLU A 45 -2.944 0.902 -13.412 1.00 0.00 O ATOM 629 CB GLU A 45 -2.817 -1.553 -12.240 1.00 0.00 C ATOM 630 CG GLU A 45 -2.392 -2.941 -11.788 1.00 0.00 C ATOM 631 CD GLU A 45 -2.727 -3.209 -10.334 1.00 0.00 C ATOM 632 OE1 GLU A 45 -1.900 -2.871 -9.462 1.00 0.00 O ATOM 633 OE2 GLU A 45 -3.817 -3.758 -10.069 1.00 0.00 O ATOM 0 H GLU A 45 -1.257 -0.516 -9.705 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.889 -0.670 -11.889 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.847 -1.379 -11.930 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.801 -1.514 -13.329 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.881 -3.688 -12.413 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.318 -3.054 -11.936 1.00 0.00 H new ATOM 640 N GLY A 46 -1.808 1.988 -11.802 1.00 0.00 N ATOM 641 CA GLY A 46 -2.073 3.294 -12.375 1.00 0.00 C ATOM 642 C GLY A 46 -3.526 3.705 -12.235 1.00 0.00 C ATOM 643 O GLY A 46 -4.124 4.230 -13.174 1.00 0.00 O ATOM 0 H GLY A 46 -1.252 2.000 -10.947 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.440 4.036 -11.888 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.801 3.286 -13.430 1.00 0.00 H new ATOM 647 N PHE A 47 -4.096 3.464 -11.059 1.00 0.00 N ATOM 648 CA PHE A 47 -5.489 3.811 -10.799 1.00 0.00 C ATOM 649 C PHE A 47 -5.718 4.066 -9.312 1.00 0.00 C ATOM 650 O PHE A 47 -5.006 3.531 -8.461 1.00 0.00 O ATOM 651 CB PHE A 47 -6.413 2.692 -11.285 1.00 0.00 C ATOM 652 CG PHE A 47 -6.523 2.612 -12.781 1.00 0.00 C ATOM 653 CD1 PHE A 47 -7.171 3.606 -13.495 1.00 0.00 C ATOM 654 CD2 PHE A 47 -5.978 1.542 -13.472 1.00 0.00 C ATOM 655 CE1 PHE A 47 -7.274 3.536 -14.872 1.00 0.00 C ATOM 656 CE2 PHE A 47 -6.077 1.467 -14.848 1.00 0.00 C ATOM 657 CZ PHE A 47 -6.727 2.464 -15.549 1.00 0.00 C ATOM 0 H PHE A 47 -3.615 3.030 -10.271 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.718 4.726 -11.345 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.047 1.739 -10.904 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.407 2.843 -10.863 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.601 4.446 -12.970 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.470 0.758 -12.929 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.781 4.318 -15.417 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.646 0.629 -15.376 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.807 2.405 -16.624 1.00 0.00 H new ATOM 667 N THR A 48 -6.717 4.887 -9.006 1.00 0.00 N ATOM 668 CA THR A 48 -7.040 5.216 -7.623 1.00 0.00 C ATOM 669 C THR A 48 -7.341 3.958 -6.815 1.00 0.00 C ATOM 670 O THR A 48 -8.010 3.044 -7.297 1.00 0.00 O ATOM 671 CB THR A 48 -8.248 6.167 -7.539 1.00 0.00 C ATOM 672 OG1 THR A 48 -8.394 6.656 -6.201 1.00 0.00 O ATOM 673 CG2 THR A 48 -9.525 5.460 -7.969 1.00 0.00 C ATOM 0 H THR A 48 -7.317 5.337 -9.698 1.00 0.00 H new ATOM 0 HA THR A 48 -6.166 5.714 -7.204 1.00 0.00 H new ATOM 0 HB THR A 48 -8.071 7.004 -8.214 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.163 7.261 -6.156 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.364 6.152 -7.901 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.421 5.115 -8.998 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.705 4.606 -7.316 1.00 0.00 H new ATOM 681 N PHE A 49 -6.843 3.918 -5.584 1.00 0.00 N ATOM 682 CA PHE A 49 -7.058 2.772 -4.709 1.00 0.00 C ATOM 683 C PHE A 49 -6.597 3.079 -3.287 1.00 0.00 C ATOM 684 O PHE A 49 -5.571 3.722 -3.065 1.00 0.00 O ATOM 685 CB PHE A 49 -6.314 1.547 -5.245 1.00 0.00 C ATOM 686 CG PHE A 49 -6.429 0.341 -4.358 1.00 0.00 C ATOM 687 CD1 PHE A 49 -5.624 0.208 -3.238 1.00 0.00 C ATOM 688 CD2 PHE A 49 -7.343 -0.661 -4.643 1.00 0.00 C ATOM 689 CE1 PHE A 49 -5.727 -0.902 -2.421 1.00 0.00 C ATOM 690 CE2 PHE A 49 -7.451 -1.773 -3.829 1.00 0.00 C ATOM 691 CZ PHE A 49 -6.643 -1.893 -2.716 1.00 0.00 C ATOM 0 H PHE A 49 -6.287 4.666 -5.170 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.127 2.559 -4.688 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.702 1.300 -6.233 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.261 1.797 -5.370 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.908 0.981 -3.001 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.979 -0.572 -5.512 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.092 -0.995 -1.553 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.167 -2.547 -4.063 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.727 -2.760 -2.077 1.00 0.00 H new ATOM 701 N PRO A 50 -7.374 2.610 -2.299 1.00 0.00 N ATOM 702 CA PRO A 50 -8.599 1.844 -2.551 1.00 0.00 C ATOM 703 C PRO A 50 -9.708 2.704 -3.147 1.00 0.00 C ATOM 704 O PRO A 50 -10.343 2.322 -4.129 1.00 0.00 O ATOM 705 CB PRO A 50 -8.998 1.346 -1.160 1.00 0.00 C ATOM 706 CG PRO A 50 -8.396 2.330 -0.218 1.00 0.00 C ATOM 707 CD PRO A 50 -7.117 2.791 -0.861 1.00 0.00 C ATOM 0 HA PRO A 50 -8.439 1.045 -3.275 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.082 1.305 -1.050 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.620 0.340 -0.976 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.071 3.169 -0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.202 1.873 0.752 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.898 3.831 -0.620 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.264 2.200 -0.528 1.00 0.00 H new ATOM 715 N GLY A 51 -9.935 3.869 -2.547 1.00 0.00 N ATOM 716 CA GLY A 51 -10.968 4.765 -3.034 1.00 0.00 C ATOM 717 C GLY A 51 -12.139 4.873 -2.077 1.00 0.00 C ATOM 718 O GLY A 51 -12.097 5.643 -1.118 1.00 0.00 O ATOM 0 H GLY A 51 -9.422 4.208 -1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.541 5.755 -3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.325 4.412 -4.002 1.00 0.00 H new ATOM 772 N ARG A 55 -13.986 -2.811 2.595 1.00 0.00 N ATOM 773 CA ARG A 55 -12.924 -3.667 3.111 1.00 0.00 C ATOM 774 C ARG A 55 -11.571 -2.966 3.028 1.00 0.00 C ATOM 775 O ARG A 55 -10.810 -2.948 3.994 1.00 0.00 O ATOM 776 CB ARG A 55 -12.877 -4.983 2.332 1.00 0.00 C ATOM 777 CG ARG A 55 -14.236 -5.643 2.169 1.00 0.00 C ATOM 778 CD ARG A 55 -14.129 -6.963 1.422 1.00 0.00 C ATOM 779 NE ARG A 55 -13.942 -6.765 -0.013 1.00 0.00 N ATOM 780 CZ ARG A 55 -13.951 -7.756 -0.899 1.00 0.00 C ATOM 781 NH1 ARG A 55 -14.138 -9.006 -0.498 1.00 0.00 N ATOM 782 NH2 ARG A 55 -13.774 -7.496 -2.188 1.00 0.00 N ATOM 0 HA ARG A 55 -13.140 -3.880 4.158 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.452 -4.796 1.346 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.206 -5.674 2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.679 -5.814 3.150 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.905 -4.972 1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.294 -7.539 1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.031 -7.550 1.593 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.797 -5.815 -0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.275 -9.209 0.492 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.145 -9.765 -1.180 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.631 -6.535 -2.500 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.781 -8.257 -2.867 1.00 0.00 H new ATOM 796 N ALA A 56 -11.280 -2.390 1.866 1.00 0.00 N ATOM 797 CA ALA A 56 -10.021 -1.686 1.657 1.00 0.00 C ATOM 798 C ALA A 56 -10.004 -0.356 2.402 1.00 0.00 C ATOM 799 O ALA A 56 -10.719 0.579 2.041 1.00 0.00 O ATOM 800 CB ALA A 56 -9.781 -1.463 0.171 1.00 0.00 C ATOM 0 H ALA A 56 -11.899 -2.397 1.055 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.218 -2.306 2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.837 -0.936 0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.739 -2.425 -0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.594 -0.868 -0.244 1.00 0.00 H new ATOM 806 N THR A 57 -9.185 -0.278 3.447 1.00 0.00 N ATOM 807 CA THR A 57 -9.077 0.936 4.245 1.00 0.00 C ATOM 808 C THR A 57 -7.619 1.286 4.519 1.00 0.00 C ATOM 809 O THR A 57 -6.715 0.513 4.201 1.00 0.00 O ATOM 810 CB THR A 57 -9.821 0.795 5.586 1.00 0.00 C ATOM 811 OG1 THR A 57 -9.979 2.080 6.197 1.00 0.00 O ATOM 812 CG2 THR A 57 -9.066 -0.131 6.528 1.00 0.00 C ATOM 0 H THR A 57 -8.587 -1.043 3.760 1.00 0.00 H new ATOM 0 HA THR A 57 -9.537 1.737 3.666 1.00 0.00 H new ATOM 0 HB THR A 57 -10.803 0.365 5.388 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.455 1.981 7.048 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.610 -0.216 7.469 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.974 -1.117 6.072 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.073 0.275 6.719 1.00 0.00 H new ATOM 820 N ILE A 58 -7.398 2.454 5.112 1.00 0.00 N ATOM 821 CA ILE A 58 -6.049 2.905 5.431 1.00 0.00 C ATOM 822 C ILE A 58 -5.968 3.432 6.860 1.00 0.00 C ATOM 823 O ILE A 58 -6.640 4.401 7.212 1.00 0.00 O ATOM 824 CB ILE A 58 -5.579 4.006 4.462 1.00 0.00 C ATOM 825 CG1 ILE A 58 -5.722 3.536 3.013 1.00 0.00 C ATOM 826 CG2 ILE A 58 -4.139 4.394 4.760 1.00 0.00 C ATOM 827 CD1 ILE A 58 -5.914 4.667 2.027 1.00 0.00 C ATOM 0 H ILE A 58 -8.135 3.105 5.381 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.395 2.039 5.328 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.208 4.885 4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.834 2.969 2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.570 2.855 2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.821 5.173 4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.066 4.766 5.782 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.496 3.522 4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.008 4.260 1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.818 5.221 2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.055 5.336 2.069 1.00 0.00 H new ATOM 888 N GLY A 62 -0.969 5.482 7.310 1.00 0.00 N ATOM 889 CA GLY A 62 -1.027 5.178 5.892 1.00 0.00 C ATOM 890 C GLY A 62 -0.867 3.698 5.609 1.00 0.00 C ATOM 891 O GLY A 62 -0.329 3.311 4.571 1.00 0.00 O ATOM 0 HA2 GLY A 62 -1.980 5.521 5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.244 5.731 5.373 1.00 0.00 H new ATOM 895 N THR A 63 -1.334 2.866 6.535 1.00 0.00 N ATOM 896 CA THR A 63 -1.238 1.420 6.381 1.00 0.00 C ATOM 897 C THR A 63 -2.391 0.877 5.545 1.00 0.00 C ATOM 898 O THR A 63 -3.524 0.782 6.020 1.00 0.00 O ATOM 899 CB THR A 63 -1.230 0.709 7.747 1.00 0.00 C ATOM 900 OG1 THR A 63 -0.379 1.411 8.660 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.755 -0.729 7.607 1.00 0.00 C ATOM 0 H THR A 63 -1.782 3.169 7.399 1.00 0.00 H new ATOM 0 HA THR A 63 -0.297 1.219 5.869 1.00 0.00 H new ATOM 0 HB THR A 63 -2.249 0.702 8.133 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.381 0.953 9.527 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.758 -1.210 8.585 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.422 -1.269 6.935 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.256 -0.740 7.200 1.00 0.00 H new ATOM 909 N LEU A 64 -2.097 0.522 4.299 1.00 0.00 N ATOM 910 CA LEU A 64 -3.111 -0.012 3.397 1.00 0.00 C ATOM 911 C LEU A 64 -3.487 -1.439 3.783 1.00 0.00 C ATOM 912 O LEU A 64 -2.699 -2.368 3.603 1.00 0.00 O ATOM 913 CB LEU A 64 -2.606 0.022 1.953 1.00 0.00 C ATOM 914 CG LEU A 64 -3.680 0.088 0.867 1.00 0.00 C ATOM 915 CD1 LEU A 64 -3.080 -0.215 -0.497 1.00 0.00 C ATOM 916 CD2 LEU A 64 -4.814 -0.879 1.179 1.00 0.00 C ATOM 0 H LEU A 64 -1.165 0.594 3.891 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.000 0.613 3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.949 0.885 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.998 -0.866 1.781 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.086 1.099 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.860 -0.163 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.303 0.516 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.646 -1.215 -0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.569 -0.819 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.423 -1.895 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.263 -0.616 2.137 1.00 0.00 H new ATOM 928 N GLN A 65 -4.694 -1.605 4.312 1.00 0.00 N ATOM 929 CA GLN A 65 -5.174 -2.920 4.722 1.00 0.00 C ATOM 930 C GLN A 65 -6.336 -3.373 3.844 1.00 0.00 C ATOM 931 O GLN A 65 -7.289 -2.625 3.624 1.00 0.00 O ATOM 932 CB GLN A 65 -5.607 -2.893 6.189 1.00 0.00 C ATOM 933 CG GLN A 65 -6.653 -3.942 6.533 1.00 0.00 C ATOM 934 CD GLN A 65 -7.169 -3.807 7.952 1.00 0.00 C ATOM 935 OE1 GLN A 65 -7.212 -2.709 8.508 1.00 0.00 O ATOM 936 NE2 GLN A 65 -7.564 -4.927 8.547 1.00 0.00 N ATOM 0 H GLN A 65 -5.358 -0.846 4.467 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.356 -3.631 4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.732 -3.044 6.821 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.004 -1.905 6.424 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.488 -3.859 5.837 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.224 -4.935 6.399 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.511 -5.815 8.049 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.920 -4.899 9.502 1.00 0.00 H new ATOM 945 N ILE A 66 -6.249 -4.602 3.345 1.00 0.00 N ATOM 946 CA ILE A 66 -7.294 -5.155 2.492 1.00 0.00 C ATOM 947 C ILE A 66 -7.736 -6.529 2.984 1.00 0.00 C ATOM 948 O ILE A 66 -6.921 -7.440 3.132 1.00 0.00 O ATOM 949 CB ILE A 66 -6.823 -5.272 1.030 1.00 0.00 C ATOM 950 CG1 ILE A 66 -6.192 -3.957 0.568 1.00 0.00 C ATOM 951 CG2 ILE A 66 -7.988 -5.653 0.128 1.00 0.00 C ATOM 952 CD1 ILE A 66 -5.216 -4.125 -0.575 1.00 0.00 C ATOM 0 H ILE A 66 -5.466 -5.233 3.517 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.138 -4.467 2.540 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.069 -6.056 0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.982 -3.271 0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.677 -3.495 1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.640 -5.732 -0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.397 -6.612 0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.763 -4.889 0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.808 -3.153 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.405 -4.785 -0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.731 -4.558 -1.432 1.00 0.00 H new ATOM 964 N LYS A 67 -9.033 -6.672 3.235 1.00 0.00 N ATOM 965 CA LYS A 67 -9.586 -7.936 3.708 1.00 0.00 C ATOM 966 C LYS A 67 -10.282 -8.682 2.575 1.00 0.00 C ATOM 967 O LYS A 67 -10.746 -8.074 1.611 1.00 0.00 O ATOM 968 CB LYS A 67 -10.572 -7.688 4.852 1.00 0.00 C ATOM 969 CG LYS A 67 -9.928 -7.096 6.093 1.00 0.00 C ATOM 970 CD LYS A 67 -10.711 -7.443 7.348 1.00 0.00 C ATOM 971 CE LYS A 67 -10.084 -6.821 8.586 1.00 0.00 C ATOM 972 NZ LYS A 67 -11.033 -6.792 9.733 1.00 0.00 N ATOM 0 H LYS A 67 -9.721 -5.928 3.119 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.763 -8.551 4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.357 -7.016 4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.053 -8.630 5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.907 -7.467 6.186 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.866 -6.013 5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.739 -7.094 7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.752 -8.526 7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.194 -7.385 8.865 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.759 -5.806 8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.568 -6.361 10.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.871 -6.232 9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.324 -7.763 9.968 1.00 0.00 H new ATOM 986 N ASN A 68 -10.353 -10.004 2.698 1.00 0.00 N ATOM 987 CA ASN A 68 -10.995 -10.833 1.685 1.00 0.00 C ATOM 988 C ASN A 68 -10.256 -10.733 0.353 1.00 0.00 C ATOM 989 O ASN A 68 -10.863 -10.482 -0.689 1.00 0.00 O ATOM 990 CB ASN A 68 -12.455 -10.415 1.503 1.00 0.00 C ATOM 991 CG ASN A 68 -13.253 -10.529 2.788 1.00 0.00 C ATOM 992 OD1 ASN A 68 -13.635 -9.523 3.385 1.00 0.00 O ATOM 993 ND2 ASN A 68 -13.507 -11.759 3.220 1.00 0.00 N ATOM 0 H ASN A 68 -9.974 -10.524 3.489 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.961 -11.868 2.024 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.494 -9.386 1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.916 -11.038 0.736 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.039 -11.898 4.079 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.170 -12.564 2.692 1.00 0.00 H new ATOM 1000 N LEU A 69 -8.943 -10.931 0.395 1.00 0.00 N ATOM 1001 CA LEU A 69 -8.121 -10.864 -0.808 1.00 0.00 C ATOM 1002 C LEU A 69 -8.609 -11.858 -1.858 1.00 0.00 C ATOM 1003 O LEU A 69 -9.353 -12.788 -1.547 1.00 0.00 O ATOM 1004 CB LEU A 69 -6.657 -11.145 -0.465 1.00 0.00 C ATOM 1005 CG LEU A 69 -6.063 -10.315 0.674 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -4.920 -11.064 1.340 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -5.589 -8.964 0.158 1.00 0.00 C ATOM 0 H LEU A 69 -8.425 -11.139 1.249 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.205 -9.858 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.561 -12.200 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.057 -10.979 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.841 -10.145 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.510 -10.458 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.289 -12.006 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.140 -11.265 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.169 -8.387 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.826 -9.114 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.432 -8.423 -0.272 1.00 0.00 H new ATOM 1019 N ARG A 70 -8.183 -11.655 -3.100 1.00 0.00 N ATOM 1020 CA ARG A 70 -8.576 -12.534 -4.195 1.00 0.00 C ATOM 1021 C ARG A 70 -7.402 -12.787 -5.137 1.00 0.00 C ATOM 1022 O ARG A 70 -6.569 -11.908 -5.356 1.00 0.00 O ATOM 1023 CB ARG A 70 -9.744 -11.925 -4.972 1.00 0.00 C ATOM 1024 CG ARG A 70 -11.049 -11.904 -4.193 1.00 0.00 C ATOM 1025 CD ARG A 70 -12.247 -11.756 -5.117 1.00 0.00 C ATOM 1026 NE ARG A 70 -13.462 -11.406 -4.387 1.00 0.00 N ATOM 1027 CZ ARG A 70 -14.142 -12.265 -3.636 1.00 0.00 C ATOM 1028 NH1 ARG A 70 -13.727 -13.519 -3.517 1.00 0.00 N ATOM 1029 NH2 ARG A 70 -15.238 -11.871 -3.001 1.00 0.00 N ATOM 0 H ARG A 70 -7.566 -10.890 -3.373 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.890 -13.487 -3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.486 -10.906 -5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.890 -12.489 -5.893 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.144 -12.824 -3.616 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -11.035 -11.080 -3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.038 -10.988 -5.862 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.405 -12.689 -5.658 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.808 -10.449 -4.458 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.884 -13.825 -4.003 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.251 -14.177 -2.940 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.560 -10.907 -3.089 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.759 -12.532 -2.425 1.00 0.00 H new ATOM 1043 N ILE A 71 -7.343 -13.994 -5.689 1.00 0.00 N ATOM 1044 CA ILE A 71 -6.272 -14.363 -6.607 1.00 0.00 C ATOM 1045 C ILE A 71 -6.090 -13.306 -7.691 1.00 0.00 C ATOM 1046 O ILE A 71 -5.027 -13.208 -8.304 1.00 0.00 O ATOM 1047 CB ILE A 71 -6.545 -15.724 -7.273 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -6.720 -16.811 -6.210 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -5.414 -16.084 -8.225 1.00 0.00 C ATOM 1050 CD1 ILE A 71 -5.470 -17.068 -5.397 1.00 0.00 C ATOM 0 H ILE A 71 -8.024 -14.733 -5.517 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.359 -14.435 -6.015 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.469 -15.652 -7.847 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.528 -16.524 -5.538 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.024 -17.738 -6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.621 -17.049 -8.688 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.332 -15.320 -8.998 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.477 -16.141 -7.671 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.667 -17.850 -4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.665 -17.386 -6.059 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.176 -16.153 -4.882 1.00 0.00 H new ATOM 1062 N SER A 72 -7.133 -12.516 -7.921 1.00 0.00 N ATOM 1063 CA SER A 72 -7.090 -11.467 -8.933 1.00 0.00 C ATOM 1064 C SER A 72 -6.489 -10.186 -8.362 1.00 0.00 C ATOM 1065 O SER A 72 -5.875 -9.400 -9.084 1.00 0.00 O ATOM 1066 CB SER A 72 -8.494 -11.189 -9.471 1.00 0.00 C ATOM 1067 OG SER A 72 -8.509 -10.029 -10.285 1.00 0.00 O ATOM 0 H SER A 72 -8.019 -12.582 -7.420 1.00 0.00 H new ATOM 0 HA SER A 72 -6.458 -11.812 -9.751 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.842 -12.046 -10.048 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.187 -11.062 -8.639 1.00 0.00 H new ATOM 0 HG SER A 72 -9.418 -9.874 -10.617 1.00 0.00 H new ATOM 1073 N ASP A 73 -6.671 -9.983 -7.062 1.00 0.00 N ATOM 1074 CA ASP A 73 -6.147 -8.799 -6.392 1.00 0.00 C ATOM 1075 C ASP A 73 -4.661 -8.619 -6.689 1.00 0.00 C ATOM 1076 O ASP A 73 -4.158 -7.496 -6.740 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.369 -8.900 -4.882 1.00 0.00 C ATOM 1078 CG ASP A 73 -7.824 -8.713 -4.498 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -8.568 -8.088 -5.281 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -8.217 -9.191 -3.413 1.00 0.00 O ATOM 0 H ASP A 73 -7.178 -10.623 -6.451 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.683 -7.930 -6.773 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.026 -9.873 -4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.763 -8.147 -4.377 1.00 0.00 H new ATOM 1085 N THR A 74 -3.963 -9.734 -6.884 1.00 0.00 N ATOM 1086 CA THR A 74 -2.535 -9.700 -7.173 1.00 0.00 C ATOM 1087 C THR A 74 -2.207 -8.622 -8.201 1.00 0.00 C ATOM 1088 O THR A 74 -2.431 -8.803 -9.397 1.00 0.00 O ATOM 1089 CB THR A 74 -2.035 -11.060 -7.696 1.00 0.00 C ATOM 1090 OG1 THR A 74 -2.285 -12.080 -6.723 1.00 0.00 O ATOM 1091 CG2 THR A 74 -0.548 -11.006 -8.011 1.00 0.00 C ATOM 0 H THR A 74 -4.364 -10.671 -6.847 1.00 0.00 H new ATOM 0 HA THR A 74 -2.029 -9.471 -6.235 1.00 0.00 H new ATOM 0 HB THR A 74 -2.576 -11.293 -8.613 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.966 -12.942 -7.063 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.218 -11.978 -8.379 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.365 -10.249 -8.773 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.006 -10.753 -7.107 1.00 0.00 H new ATOM 1099 N GLY A 75 -1.675 -7.500 -7.726 1.00 0.00 N ATOM 1100 CA GLY A 75 -1.325 -6.410 -8.617 1.00 0.00 C ATOM 1101 C GLY A 75 -0.140 -5.609 -8.115 1.00 0.00 C ATOM 1102 O GLY A 75 0.402 -5.890 -7.046 1.00 0.00 O ATOM 0 H GLY A 75 -1.480 -7.327 -6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.097 -6.811 -9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.184 -5.749 -8.732 1.00 0.00 H new ATOM 1106 N THR A 76 0.266 -4.608 -8.890 1.00 0.00 N ATOM 1107 CA THR A 76 1.397 -3.765 -8.520 1.00 0.00 C ATOM 1108 C THR A 76 0.926 -2.410 -8.003 1.00 0.00 C ATOM 1109 O THR A 76 0.471 -1.565 -8.774 1.00 0.00 O ATOM 1110 CB THR A 76 2.347 -3.545 -9.712 1.00 0.00 C ATOM 1111 OG1 THR A 76 3.017 -4.769 -10.036 1.00 0.00 O ATOM 1112 CG2 THR A 76 3.373 -2.468 -9.394 1.00 0.00 C ATOM 0 H THR A 76 -0.171 -4.361 -9.778 1.00 0.00 H new ATOM 0 HA THR A 76 1.935 -4.286 -7.728 1.00 0.00 H new ATOM 0 HB THR A 76 1.754 -3.219 -10.566 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.618 -4.622 -10.796 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.033 -2.330 -10.250 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.861 -1.531 -9.176 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.961 -2.770 -8.528 1.00 0.00 H new ATOM 1120 N TYR A 77 1.040 -2.210 -6.695 1.00 0.00 N ATOM 1121 CA TYR A 77 0.625 -0.957 -6.075 1.00 0.00 C ATOM 1122 C TYR A 77 1.803 0.003 -5.943 1.00 0.00 C ATOM 1123 O TYR A 77 2.962 -0.396 -6.067 1.00 0.00 O ATOM 1124 CB TYR A 77 0.013 -1.224 -4.699 1.00 0.00 C ATOM 1125 CG TYR A 77 0.641 -2.391 -3.972 1.00 0.00 C ATOM 1126 CD1 TYR A 77 2.022 -2.541 -3.920 1.00 0.00 C ATOM 1127 CD2 TYR A 77 -0.146 -3.345 -3.338 1.00 0.00 C ATOM 1128 CE1 TYR A 77 2.600 -3.607 -3.258 1.00 0.00 C ATOM 1129 CE2 TYR A 77 0.424 -4.413 -2.673 1.00 0.00 C ATOM 1130 CZ TYR A 77 1.797 -4.540 -2.636 1.00 0.00 C ATOM 1131 OH TYR A 77 2.369 -5.602 -1.974 1.00 0.00 O ATOM 0 H TYR A 77 1.416 -2.899 -6.044 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.126 -0.495 -6.716 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.114 -0.328 -4.086 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.054 -1.412 -4.816 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.654 -1.812 -4.405 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.221 -3.250 -3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.675 -3.709 -3.228 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.202 -5.145 -2.184 1.00 0.00 H new ATOM 0 HH TYR A 77 3.151 -5.916 -2.474 1.00 0.00 H new ATOM 1141 N THR A 78 1.499 1.272 -5.690 1.00 0.00 N ATOM 1142 CA THR A 78 2.531 2.290 -5.542 1.00 0.00 C ATOM 1143 C THR A 78 2.142 3.317 -4.485 1.00 0.00 C ATOM 1144 O THR A 78 1.072 3.922 -4.556 1.00 0.00 O ATOM 1145 CB THR A 78 2.799 3.017 -6.873 1.00 0.00 C ATOM 1146 OG1 THR A 78 3.400 2.117 -7.810 1.00 0.00 O ATOM 1147 CG2 THR A 78 3.708 4.218 -6.661 1.00 0.00 C ATOM 0 H THR A 78 0.546 1.619 -5.583 1.00 0.00 H new ATOM 0 HA THR A 78 3.439 1.775 -5.229 1.00 0.00 H new ATOM 0 HB THR A 78 1.846 3.369 -7.268 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.566 2.586 -8.654 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.883 4.715 -7.615 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.234 4.915 -5.970 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.659 3.885 -6.246 1.00 0.00 H new ATOM 1155 N CYS A 79 3.017 3.511 -3.504 1.00 0.00 N ATOM 1156 CA CYS A 79 2.766 4.465 -2.431 1.00 0.00 C ATOM 1157 C CYS A 79 3.282 5.852 -2.805 1.00 0.00 C ATOM 1158 O CYS A 79 4.485 6.111 -2.761 1.00 0.00 O ATOM 1159 CB CYS A 79 3.429 3.994 -1.135 1.00 0.00 C ATOM 1160 SG CYS A 79 2.720 4.730 0.373 1.00 0.00 S ATOM 0 H CYS A 79 3.908 3.019 -3.430 1.00 0.00 H new ATOM 0 HA CYS A 79 1.689 4.526 -2.278 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.346 2.909 -1.071 1.00 0.00 H new ATOM 0 HB3 CYS A 79 4.492 4.230 -1.177 1.00 0.00 H new ATOM 1165 N VAL A 80 2.364 6.740 -3.172 1.00 0.00 N ATOM 1166 CA VAL A 80 2.725 8.101 -3.551 1.00 0.00 C ATOM 1167 C VAL A 80 2.518 9.068 -2.392 1.00 0.00 C ATOM 1168 O VAL A 80 1.556 8.948 -1.634 1.00 0.00 O ATOM 1169 CB VAL A 80 1.902 8.583 -4.761 1.00 0.00 C ATOM 1170 CG1 VAL A 80 2.340 9.977 -5.183 1.00 0.00 C ATOM 1171 CG2 VAL A 80 2.030 7.602 -5.917 1.00 0.00 C ATOM 0 H VAL A 80 1.364 6.541 -3.215 1.00 0.00 H new ATOM 0 HA VAL A 80 3.781 8.085 -3.822 1.00 0.00 H new ATOM 0 HB VAL A 80 0.853 8.631 -4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.748 10.301 -6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.192 10.671 -4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.395 9.960 -5.457 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.442 7.958 -6.763 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.077 7.520 -6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.663 6.624 -5.606 1.00 0.00 H new ATOM 1181 N ALA A 81 3.428 10.028 -2.259 1.00 0.00 N ATOM 1182 CA ALA A 81 3.344 11.018 -1.193 1.00 0.00 C ATOM 1183 C ALA A 81 3.416 12.435 -1.753 1.00 0.00 C ATOM 1184 O ALA A 81 4.500 12.997 -1.913 1.00 0.00 O ATOM 1185 CB ALA A 81 4.454 10.794 -0.176 1.00 0.00 C ATOM 0 H ALA A 81 4.232 10.141 -2.877 1.00 0.00 H new ATOM 0 HA ALA A 81 2.381 10.900 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.379 11.541 0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.357 9.798 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.422 10.883 -0.669 1.00 0.00 H new ATOM 1191 N THR A 82 2.254 13.008 -2.051 1.00 0.00 N ATOM 1192 CA THR A 82 2.185 14.358 -2.595 1.00 0.00 C ATOM 1193 C THR A 82 2.250 15.402 -1.485 1.00 0.00 C ATOM 1194 O THR A 82 1.558 15.290 -0.473 1.00 0.00 O ATOM 1195 CB THR A 82 0.896 14.571 -3.410 1.00 0.00 C ATOM 1196 OG1 THR A 82 0.698 13.474 -4.308 1.00 0.00 O ATOM 1197 CG2 THR A 82 0.960 15.871 -4.196 1.00 0.00 C ATOM 0 H THR A 82 1.348 12.558 -1.925 1.00 0.00 H new ATOM 0 HA THR A 82 3.045 14.477 -3.254 1.00 0.00 H new ATOM 0 HB THR A 82 0.058 14.627 -2.715 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.125 13.616 -4.821 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.038 15.999 -4.763 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.081 16.707 -3.507 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.807 15.840 -4.882 1.00 0.00 H new ATOM 1205 N SER A 83 3.084 16.418 -1.682 1.00 0.00 N ATOM 1206 CA SER A 83 3.240 17.481 -0.696 1.00 0.00 C ATOM 1207 C SER A 83 3.510 18.819 -1.378 1.00 0.00 C ATOM 1208 O SER A 83 4.073 18.869 -2.471 1.00 0.00 O ATOM 1209 CB SER A 83 4.381 17.148 0.267 1.00 0.00 C ATOM 1210 OG SER A 83 5.515 16.664 -0.432 1.00 0.00 O ATOM 0 H SER A 83 3.662 16.527 -2.515 1.00 0.00 H new ATOM 0 HA SER A 83 2.310 17.561 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.653 18.038 0.835 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.047 16.400 0.986 1.00 0.00 H new ATOM 0 HG SER A 83 6.321 16.819 0.104 1.00 0.00 H new ATOM 1216 N SER A 84 3.103 19.902 -0.724 1.00 0.00 N ATOM 1217 CA SER A 84 3.296 21.241 -1.267 1.00 0.00 C ATOM 1218 C SER A 84 4.652 21.357 -1.956 1.00 0.00 C ATOM 1219 O SER A 84 4.796 22.065 -2.953 1.00 0.00 O ATOM 1220 CB SER A 84 3.185 22.286 -0.156 1.00 0.00 C ATOM 1221 OG SER A 84 3.176 23.599 -0.689 1.00 0.00 O ATOM 0 H SER A 84 2.637 19.878 0.183 1.00 0.00 H new ATOM 0 HA SER A 84 2.515 21.423 -2.006 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.273 22.117 0.417 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.021 22.177 0.535 1.00 0.00 H new ATOM 0 HG SER A 84 3.103 24.248 0.042 1.00 0.00 H new ATOM 1227 N SER A 85 5.645 20.656 -1.417 1.00 0.00 N ATOM 1228 CA SER A 85 6.991 20.683 -1.977 1.00 0.00 C ATOM 1229 C SER A 85 7.036 19.961 -3.320 1.00 0.00 C ATOM 1230 O SER A 85 7.192 20.586 -4.368 1.00 0.00 O ATOM 1231 CB SER A 85 7.983 20.038 -1.006 1.00 0.00 C ATOM 1232 OG SER A 85 9.281 20.582 -1.168 1.00 0.00 O ATOM 0 H SER A 85 5.542 20.063 -0.594 1.00 0.00 H new ATOM 0 HA SER A 85 7.271 21.725 -2.134 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.646 20.192 0.019 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.013 18.961 -1.173 1.00 0.00 H new ATOM 0 HG SER A 85 9.896 20.155 -0.536 1.00 0.00 H new ATOM 1238 N GLY A 86 6.896 18.640 -3.280 1.00 0.00 N ATOM 1239 CA GLY A 86 6.923 17.853 -4.499 1.00 0.00 C ATOM 1240 C GLY A 86 6.049 16.618 -4.412 1.00 0.00 C ATOM 1241 O GLY A 86 4.872 16.707 -4.062 1.00 0.00 O ATOM 0 H GLY A 86 6.764 18.100 -2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.592 18.471 -5.334 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.949 17.554 -4.712 1.00 0.00 H new ATOM 1245 N GLU A 87 6.624 15.464 -4.734 1.00 0.00 N ATOM 1246 CA GLU A 87 5.887 14.206 -4.693 1.00 0.00 C ATOM 1247 C GLU A 87 6.810 13.025 -4.979 1.00 0.00 C ATOM 1248 O GLU A 87 7.685 13.101 -5.843 1.00 0.00 O ATOM 1249 CB GLU A 87 4.739 14.228 -5.704 1.00 0.00 C ATOM 1250 CG GLU A 87 4.052 12.884 -5.874 1.00 0.00 C ATOM 1251 CD GLU A 87 3.218 12.811 -7.139 1.00 0.00 C ATOM 1252 OE1 GLU A 87 2.478 13.777 -7.419 1.00 0.00 O ATOM 1253 OE2 GLU A 87 3.307 11.787 -7.849 1.00 0.00 O ATOM 0 H GLU A 87 7.597 15.374 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 87 5.475 14.088 -3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.002 14.966 -5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.123 14.555 -6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.804 12.095 -5.893 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.414 12.695 -5.011 1.00 0.00 H new ATOM 1260 N THR A 88 6.608 11.933 -4.248 1.00 0.00 N ATOM 1261 CA THR A 88 7.422 10.736 -4.422 1.00 0.00 C ATOM 1262 C THR A 88 6.550 9.508 -4.654 1.00 0.00 C ATOM 1263 O THR A 88 5.323 9.586 -4.600 1.00 0.00 O ATOM 1264 CB THR A 88 8.324 10.488 -3.198 1.00 0.00 C ATOM 1265 OG1 THR A 88 9.260 9.443 -3.483 1.00 0.00 O ATOM 1266 CG2 THR A 88 7.493 10.113 -1.980 1.00 0.00 C ATOM 0 H THR A 88 5.888 11.853 -3.530 1.00 0.00 H new ATOM 0 HA THR A 88 8.049 10.904 -5.298 1.00 0.00 H new ATOM 0 HB THR A 88 8.864 11.409 -2.980 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.831 9.293 -2.701 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.152 9.943 -1.128 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.802 10.923 -1.748 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.929 9.204 -2.190 1.00 0.00 H new ATOM 1274 N SER A 89 7.192 8.373 -4.912 1.00 0.00 N ATOM 1275 CA SER A 89 6.474 7.127 -5.156 1.00 0.00 C ATOM 1276 C SER A 89 7.347 5.922 -4.819 1.00 0.00 C ATOM 1277 O SER A 89 8.572 5.978 -4.932 1.00 0.00 O ATOM 1278 CB SER A 89 6.023 7.051 -6.615 1.00 0.00 C ATOM 1279 OG SER A 89 7.134 7.043 -7.494 1.00 0.00 O ATOM 0 H SER A 89 8.208 8.290 -4.957 1.00 0.00 H new ATOM 0 HA SER A 89 5.596 7.110 -4.510 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.428 6.151 -6.768 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.380 7.901 -6.845 1.00 0.00 H new ATOM 0 HG SER A 89 6.818 6.992 -8.420 1.00 0.00 H new ATOM 1285 N TRP A 90 6.708 4.834 -4.404 1.00 0.00 N ATOM 1286 CA TRP A 90 7.426 3.615 -4.050 1.00 0.00 C ATOM 1287 C TRP A 90 6.838 2.408 -4.773 1.00 0.00 C ATOM 1288 O TRP A 90 5.709 2.001 -4.503 1.00 0.00 O ATOM 1289 CB TRP A 90 7.378 3.392 -2.537 1.00 0.00 C ATOM 1290 CG TRP A 90 8.464 2.489 -2.036 1.00 0.00 C ATOM 1291 CD1 TRP A 90 8.530 1.132 -2.170 1.00 0.00 C ATOM 1292 CD2 TRP A 90 9.640 2.880 -1.317 1.00 0.00 C ATOM 1293 NE1 TRP A 90 9.675 0.655 -1.579 1.00 0.00 N ATOM 1294 CE2 TRP A 90 10.373 1.708 -1.049 1.00 0.00 C ATOM 1295 CE3 TRP A 90 10.145 4.106 -0.876 1.00 0.00 C ATOM 1296 CZ2 TRP A 90 11.583 1.729 -0.360 1.00 0.00 C ATOM 1297 CZ3 TRP A 90 11.345 4.125 -0.192 1.00 0.00 C ATOM 1298 CH2 TRP A 90 12.053 2.943 0.061 1.00 0.00 C ATOM 0 H TRP A 90 5.695 4.771 -4.304 1.00 0.00 H new ATOM 0 HA TRP A 90 8.464 3.731 -4.361 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.454 4.355 -2.032 1.00 0.00 H new ATOM 0 HB3 TRP A 90 6.410 2.968 -2.270 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.790 0.523 -2.668 1.00 0.00 H new ATOM 0 HE1 TRP A 90 9.959 -0.324 -1.541 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.607 5.023 -1.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.131 0.819 -0.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.744 5.067 0.154 1.00 0.00 H new ATOM 0 HH2 TRP A 90 12.988 2.991 0.599 1.00 0.00 H new ATOM 1309 N SER A 91 7.612 1.840 -5.693 1.00 0.00 N ATOM 1310 CA SER A 91 7.166 0.682 -6.458 1.00 0.00 C ATOM 1311 C SER A 91 7.091 -0.558 -5.571 1.00 0.00 C ATOM 1312 O SER A 91 7.908 -0.740 -4.669 1.00 0.00 O ATOM 1313 CB SER A 91 8.110 0.426 -7.634 1.00 0.00 C ATOM 1314 OG SER A 91 9.333 -0.139 -7.192 1.00 0.00 O ATOM 0 H SER A 91 8.551 2.163 -5.926 1.00 0.00 H new ATOM 0 HA SER A 91 6.168 0.894 -6.843 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.633 -0.245 -8.348 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.306 1.362 -8.158 1.00 0.00 H new ATOM 0 HG SER A 91 9.919 -0.295 -7.962 1.00 0.00 H new ATOM 1320 N ALA A 92 6.104 -1.408 -5.836 1.00 0.00 N ATOM 1321 CA ALA A 92 5.923 -2.632 -5.065 1.00 0.00 C ATOM 1322 C ALA A 92 4.815 -3.495 -5.658 1.00 0.00 C ATOM 1323 O ALA A 92 3.928 -2.995 -6.351 1.00 0.00 O ATOM 1324 CB ALA A 92 5.615 -2.299 -3.612 1.00 0.00 C ATOM 0 H ALA A 92 5.418 -1.271 -6.578 1.00 0.00 H new ATOM 0 HA ALA A 92 6.852 -3.200 -5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.482 -3.222 -3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.441 -1.729 -3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.701 -1.707 -3.560 1.00 0.00 H new ATOM 1330 N VAL A 93 4.871 -4.794 -5.382 1.00 0.00 N ATOM 1331 CA VAL A 93 3.871 -5.727 -5.888 1.00 0.00 C ATOM 1332 C VAL A 93 3.397 -6.673 -4.790 1.00 0.00 C ATOM 1333 O VAL A 93 4.046 -6.813 -3.753 1.00 0.00 O ATOM 1334 CB VAL A 93 4.422 -6.557 -7.063 1.00 0.00 C ATOM 1335 CG1 VAL A 93 5.622 -7.380 -6.619 1.00 0.00 C ATOM 1336 CG2 VAL A 93 3.335 -7.452 -7.639 1.00 0.00 C ATOM 0 H VAL A 93 5.598 -5.224 -4.811 1.00 0.00 H new ATOM 0 HA VAL A 93 3.029 -5.130 -6.238 1.00 0.00 H new ATOM 0 HB VAL A 93 4.750 -5.873 -7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.998 -7.960 -7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.406 -6.714 -6.258 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.323 -8.056 -5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.742 -8.031 -8.468 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.974 -8.130 -6.866 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.509 -6.837 -7.997 1.00 0.00 H new ATOM 1346 N LEU A 94 2.261 -7.320 -5.026 1.00 0.00 N ATOM 1347 CA LEU A 94 1.698 -8.255 -4.057 1.00 0.00 C ATOM 1348 C LEU A 94 1.417 -9.607 -4.704 1.00 0.00 C ATOM 1349 O LEU A 94 0.945 -9.677 -5.839 1.00 0.00 O ATOM 1350 CB LEU A 94 0.411 -7.686 -3.458 1.00 0.00 C ATOM 1351 CG LEU A 94 -0.459 -8.671 -2.676 1.00 0.00 C ATOM 1352 CD1 LEU A 94 0.063 -8.834 -1.257 1.00 0.00 C ATOM 1353 CD2 LEU A 94 -1.909 -8.209 -2.664 1.00 0.00 C ATOM 0 H LEU A 94 1.712 -7.215 -5.879 1.00 0.00 H new ATOM 0 HA LEU A 94 2.429 -8.399 -3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.676 -6.861 -2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.188 -7.266 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.412 -9.641 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.569 -9.538 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.085 -9.211 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.047 -7.869 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.513 -8.922 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.974 -7.228 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.279 -8.146 -3.687 1.00 0.00 H new ATOM 1365 N ASP A 95 1.708 -10.678 -3.975 1.00 0.00 N ATOM 1366 CA ASP A 95 1.483 -12.029 -4.476 1.00 0.00 C ATOM 1367 C ASP A 95 0.466 -12.768 -3.612 1.00 0.00 C ATOM 1368 O ASP A 95 0.769 -13.176 -2.491 1.00 0.00 O ATOM 1369 CB ASP A 95 2.799 -12.807 -4.514 1.00 0.00 C ATOM 1370 CG ASP A 95 3.539 -12.630 -5.826 1.00 0.00 C ATOM 1371 OD1 ASP A 95 4.249 -11.614 -5.975 1.00 0.00 O ATOM 1372 OD2 ASP A 95 3.408 -13.509 -6.704 1.00 0.00 O ATOM 0 H ASP A 95 2.101 -10.637 -3.034 1.00 0.00 H new ATOM 0 HA ASP A 95 1.085 -11.953 -5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.436 -12.477 -3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.596 -13.866 -4.355 1.00 0.00 H new ATOM 1377 N VAL A 96 -0.742 -12.935 -4.141 1.00 0.00 N ATOM 1378 CA VAL A 96 -1.804 -13.624 -3.418 1.00 0.00 C ATOM 1379 C VAL A 96 -2.028 -15.025 -3.975 1.00 0.00 C ATOM 1380 O VAL A 96 -2.541 -15.191 -5.082 1.00 0.00 O ATOM 1381 CB VAL A 96 -3.128 -12.839 -3.484 1.00 0.00 C ATOM 1382 CG1 VAL A 96 -4.225 -13.580 -2.734 1.00 0.00 C ATOM 1383 CG2 VAL A 96 -2.944 -11.436 -2.926 1.00 0.00 C ATOM 0 H VAL A 96 -1.009 -12.603 -5.068 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.485 -13.696 -2.378 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.428 -12.753 -4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.153 -13.011 -2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.373 -14.562 -3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.936 -13.698 -1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.889 -10.896 -2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.620 -11.497 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.190 -10.908 -3.510 1.00 0.00 H new ATOM 1393 N THR A 97 -1.641 -16.033 -3.199 1.00 0.00 N ATOM 1394 CA THR A 97 -1.799 -17.421 -3.615 1.00 0.00 C ATOM 1395 C THR A 97 -2.691 -18.188 -2.645 1.00 0.00 C ATOM 1396 O THR A 97 -2.896 -17.762 -1.509 1.00 0.00 O ATOM 1397 CB THR A 97 -0.438 -18.135 -3.716 1.00 0.00 C ATOM 1398 OG1 THR A 97 0.211 -18.136 -2.440 1.00 0.00 O ATOM 1399 CG2 THR A 97 0.454 -17.456 -4.744 1.00 0.00 C ATOM 0 H THR A 97 -1.216 -15.914 -2.279 1.00 0.00 H new ATOM 0 HA THR A 97 -2.267 -17.405 -4.599 1.00 0.00 H new ATOM 0 HB THR A 97 -0.614 -19.163 -4.034 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.885 -17.425 -2.415 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.410 -17.978 -4.798 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.030 -17.483 -5.720 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.622 -16.420 -4.452 1.00 0.00 H new ATOM 1407 N GLU A 98 -3.217 -19.320 -3.100 1.00 0.00 N ATOM 1408 CA GLU A 98 -4.087 -20.145 -2.271 1.00 0.00 C ATOM 1409 C GLU A 98 -3.327 -20.703 -1.071 1.00 0.00 C ATOM 1410 O GLU A 98 -3.861 -20.779 0.036 1.00 0.00 O ATOM 1411 CB GLU A 98 -4.675 -21.293 -3.094 1.00 0.00 C ATOM 1412 CG GLU A 98 -5.426 -20.833 -4.332 1.00 0.00 C ATOM 1413 CD GLU A 98 -6.074 -21.980 -5.082 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -5.390 -22.602 -5.921 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -7.265 -22.255 -4.829 1.00 0.00 O ATOM 0 H GLU A 98 -3.056 -19.687 -4.038 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.899 -19.517 -1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.869 -21.962 -3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.350 -21.872 -2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.193 -20.115 -4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.737 -20.312 -4.997 1.00 0.00 H new ATOM 1422 N SER A 99 -2.076 -21.092 -1.299 1.00 0.00 N ATOM 1423 CA SER A 99 -1.243 -21.646 -0.238 1.00 0.00 C ATOM 1424 C SER A 99 -0.538 -20.536 0.535 1.00 0.00 C ATOM 1425 O SER A 99 -0.594 -20.487 1.763 1.00 0.00 O ATOM 1426 CB SER A 99 -0.210 -22.611 -0.824 1.00 0.00 C ATOM 1427 OG SER A 99 -0.840 -23.729 -1.426 1.00 0.00 O ATOM 0 H SER A 99 -1.618 -21.034 -2.208 1.00 0.00 H new ATOM 0 HA SER A 99 -1.889 -22.190 0.451 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.399 -22.091 -1.563 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.464 -22.949 -0.037 1.00 0.00 H new ATOM 0 HG SER A 99 -0.159 -24.329 -1.794 1.00 0.00 H new ATOM 1433 N GLY A 100 0.128 -19.646 -0.195 1.00 0.00 N ATOM 1434 CA GLY A 100 0.836 -18.548 0.438 1.00 0.00 C ATOM 1435 C GLY A 100 2.191 -18.293 -0.191 1.00 0.00 C ATOM 1436 O GLY A 100 2.948 -19.228 -0.452 1.00 0.00 O ATOM 0 H GLY A 100 0.190 -19.666 -1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.232 -17.643 0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.966 -18.767 1.498 1.00 0.00 H new