USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 491 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 10 HIS : no HD1:sc= -2.55! K(o=-2.5!,f=-1.2) USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0703) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -98:sc= -0.187 USER MOD Single : A 31 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.2) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -3.88! C(o=-3.9!,f=-2!) USER MOD Single : A 46 HIS : no HD1:sc= -0.0394 X(o=-0.039,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= -0.0123 (180deg=-0.263) USER MOD Single : A 52 GLN : amide:sc= -2.14! K(o=-2.1!,f=-0.14) USER MOD Single : A 56 ASN : amide:sc= -0.155 K(o=-0.16,f=-0.78) USER MOD Single : A 60 THR OG1 : rot 170:sc= -0.0955 USER MOD Single : A 61 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0129) USER MOD ----------------------------------------------------------------- ATOM 110 N ASP A 8 10.561 3.424 -0.400 1.00 0.00 N ATOM 111 CA ASP A 8 9.717 2.721 -1.403 1.00 0.00 C ATOM 112 C ASP A 8 8.839 3.688 -2.198 1.00 0.00 C ATOM 113 O ASP A 8 9.194 4.819 -2.466 1.00 0.00 O ATOM 114 CB ASP A 8 8.823 1.731 -0.663 1.00 0.00 C ATOM 115 CG ASP A 8 9.681 0.899 0.292 1.00 0.00 C ATOM 116 OD1 ASP A 8 10.790 0.566 -0.085 1.00 0.00 O ATOM 117 OD2 ASP A 8 9.213 0.611 1.380 1.00 0.00 O ATOM 0 HA ASP A 8 10.374 2.216 -2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.051 2.264 -0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.313 1.081 -1.374 1.00 0.00 H new ATOM 122 N TRP A 9 7.679 3.216 -2.562 1.00 0.00 N ATOM 123 CA TRP A 9 6.710 4.020 -3.345 1.00 0.00 C ATOM 124 C TRP A 9 6.237 5.192 -2.482 1.00 0.00 C ATOM 125 O TRP A 9 5.595 5.006 -1.467 1.00 0.00 O ATOM 126 CB TRP A 9 5.513 3.110 -3.682 1.00 0.00 C ATOM 127 CG TRP A 9 5.923 2.034 -4.659 1.00 0.00 C ATOM 128 CD1 TRP A 9 7.006 1.218 -4.538 1.00 0.00 C ATOM 129 CD2 TRP A 9 5.220 1.586 -5.857 1.00 0.00 C ATOM 130 NE1 TRP A 9 7.050 0.361 -5.622 1.00 0.00 N ATOM 131 CE2 TRP A 9 5.967 0.533 -6.455 1.00 0.00 C ATOM 132 CE3 TRP A 9 4.027 2.001 -6.493 1.00 0.00 C ATOM 133 CZ2 TRP A 9 5.543 -0.088 -7.638 1.00 0.00 C ATOM 134 CZ3 TRP A 9 3.596 1.374 -7.682 1.00 0.00 C ATOM 135 CH2 TRP A 9 4.354 0.333 -8.253 1.00 0.00 C ATOM 0 H TRP A 9 7.356 2.274 -2.339 1.00 0.00 H new ATOM 0 HA TRP A 9 7.163 4.404 -4.259 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.128 2.653 -2.770 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.705 3.705 -4.106 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.717 1.237 -3.725 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.795 -0.317 -5.785 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.442 2.802 -6.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.127 -0.885 -8.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 2.680 1.694 -8.156 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.020 -0.141 -9.164 1.00 0.00 H new ATOM 146 N HIS A 10 6.539 6.401 -2.881 1.00 0.00 N ATOM 147 CA HIS A 10 6.098 7.577 -2.081 1.00 0.00 C ATOM 148 C HIS A 10 4.612 7.429 -1.755 1.00 0.00 C ATOM 149 O HIS A 10 3.918 6.623 -2.341 1.00 0.00 O ATOM 150 CB HIS A 10 6.318 8.871 -2.875 1.00 0.00 C ATOM 151 CG HIS A 10 7.677 8.856 -3.524 1.00 0.00 C ATOM 152 ND1 HIS A 10 8.839 8.609 -2.809 1.00 0.00 N ATOM 153 CD2 HIS A 10 8.074 9.069 -4.821 1.00 0.00 C ATOM 154 CE1 HIS A 10 9.869 8.681 -3.674 1.00 0.00 C ATOM 155 NE2 HIS A 10 9.457 8.960 -4.913 1.00 0.00 N ATOM 0 H HIS A 10 7.070 6.622 -3.723 1.00 0.00 H new ATOM 0 HA HIS A 10 6.680 7.624 -1.161 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.544 8.976 -3.636 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.232 9.732 -2.212 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.412 9.288 -5.645 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.903 8.531 -3.399 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.033 9.070 -5.748 1.00 0.00 H new ATOM 163 N ARG A 11 4.119 8.194 -0.826 1.00 0.00 N ATOM 164 CA ARG A 11 2.682 8.087 -0.462 1.00 0.00 C ATOM 165 C ARG A 11 1.813 8.165 -1.713 1.00 0.00 C ATOM 166 O ARG A 11 0.902 7.393 -1.884 1.00 0.00 O ATOM 167 CB ARG A 11 2.301 9.232 0.477 1.00 0.00 C ATOM 168 CG ARG A 11 2.929 9.001 1.851 1.00 0.00 C ATOM 169 CD ARG A 11 2.491 10.118 2.800 1.00 0.00 C ATOM 170 NE ARG A 11 3.354 10.110 4.012 1.00 0.00 N ATOM 171 CZ ARG A 11 3.374 11.147 4.802 1.00 0.00 C ATOM 172 NH1 ARG A 11 2.653 12.196 4.514 1.00 0.00 N ATOM 173 NH2 ARG A 11 4.116 11.139 5.874 1.00 0.00 N ATOM 0 H ARG A 11 4.650 8.890 -0.302 1.00 0.00 H new ATOM 0 HA ARG A 11 2.520 7.130 0.033 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.642 10.182 0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.217 9.295 0.568 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.623 8.032 2.245 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.016 8.983 1.769 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.560 11.083 2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.448 9.980 3.083 1.00 0.00 H new ATOM 0 HE ARG A 11 3.929 9.295 4.224 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.076 12.203 3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.666 13.009 5.130 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.682 10.320 6.096 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.130 11.951 6.491 1.00 0.00 H new ATOM 187 N ALA A 12 2.061 9.108 -2.579 1.00 0.00 N ATOM 188 CA ALA A 12 1.212 9.227 -3.801 1.00 0.00 C ATOM 189 C ALA A 12 1.648 8.209 -4.852 1.00 0.00 C ATOM 190 O ALA A 12 0.912 7.911 -5.771 1.00 0.00 O ATOM 191 CB ALA A 12 1.301 10.635 -4.374 1.00 0.00 C ATOM 0 H ALA A 12 2.808 9.797 -2.496 1.00 0.00 H new ATOM 0 HA ALA A 12 0.178 9.025 -3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.676 10.706 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.955 11.353 -3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.335 10.856 -4.638 1.00 0.00 H new ATOM 197 N ASP A 13 2.816 7.642 -4.728 1.00 0.00 N ATOM 198 CA ASP A 13 3.219 6.622 -5.728 1.00 0.00 C ATOM 199 C ASP A 13 2.267 5.456 -5.528 1.00 0.00 C ATOM 200 O ASP A 13 2.028 4.653 -6.408 1.00 0.00 O ATOM 201 CB ASP A 13 4.654 6.173 -5.478 1.00 0.00 C ATOM 202 CG ASP A 13 5.626 7.262 -5.930 1.00 0.00 C ATOM 203 OD1 ASP A 13 5.162 8.326 -6.302 1.00 0.00 O ATOM 204 OD2 ASP A 13 6.821 7.012 -5.898 1.00 0.00 O ATOM 0 H ASP A 13 3.495 7.837 -3.992 1.00 0.00 H new ATOM 0 HA ASP A 13 3.174 7.015 -6.744 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.799 5.961 -4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.854 5.248 -6.018 1.00 0.00 H new ATOM 209 N VAL A 14 1.691 5.397 -4.358 1.00 0.00 N ATOM 210 CA VAL A 14 0.709 4.328 -4.048 1.00 0.00 C ATOM 211 C VAL A 14 -0.645 4.719 -4.661 1.00 0.00 C ATOM 212 O VAL A 14 -1.162 4.028 -5.514 1.00 0.00 O ATOM 213 CB VAL A 14 0.588 4.175 -2.524 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.512 3.171 -2.185 1.00 0.00 C ATOM 215 CG2 VAL A 14 1.919 3.670 -1.959 1.00 0.00 C ATOM 0 H VAL A 14 1.864 6.054 -3.597 1.00 0.00 H new ATOM 0 HA VAL A 14 1.034 3.375 -4.466 1.00 0.00 H new ATOM 0 HB VAL A 14 0.340 5.142 -2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.591 3.069 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.462 3.523 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.269 2.203 -2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.837 3.560 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.161 2.705 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.708 4.385 -2.192 1.00 0.00 H new ATOM 225 N ILE A 15 -1.220 5.829 -4.257 1.00 0.00 N ATOM 226 CA ILE A 15 -2.533 6.239 -4.849 1.00 0.00 C ATOM 227 C ILE A 15 -2.361 6.519 -6.345 1.00 0.00 C ATOM 228 O ILE A 15 -3.091 6.011 -7.169 1.00 0.00 O ATOM 229 CB ILE A 15 -3.051 7.523 -4.183 1.00 0.00 C ATOM 230 CG1 ILE A 15 -3.342 7.276 -2.698 1.00 0.00 C ATOM 231 CG2 ILE A 15 -4.350 7.957 -4.876 1.00 0.00 C ATOM 232 CD1 ILE A 15 -2.051 7.013 -1.921 1.00 0.00 C ATOM 0 H ILE A 15 -0.842 6.461 -3.552 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.243 5.428 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.291 8.299 -4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.855 8.140 -2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.014 6.424 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.725 8.868 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.154 8.144 -5.932 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.095 7.167 -4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.287 6.841 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.553 6.134 -2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.392 7.877 -2.008 1.00 0.00 H new ATOM 244 N ALA A 16 -1.424 7.351 -6.696 1.00 0.00 N ATOM 245 CA ALA A 16 -1.227 7.683 -8.133 1.00 0.00 C ATOM 246 C ALA A 16 -1.043 6.397 -8.935 1.00 0.00 C ATOM 247 O ALA A 16 -1.813 6.088 -9.822 1.00 0.00 O ATOM 248 CB ALA A 16 0.013 8.564 -8.285 1.00 0.00 C ATOM 0 H ALA A 16 -0.786 7.816 -6.051 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.101 8.218 -8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.159 8.808 -9.337 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.121 9.483 -7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.887 8.030 -7.912 1.00 0.00 H new ATOM 254 N GLY A 17 -0.026 5.650 -8.626 1.00 0.00 N ATOM 255 CA GLY A 17 0.233 4.382 -9.365 1.00 0.00 C ATOM 256 C GLY A 17 -1.036 3.525 -9.439 1.00 0.00 C ATOM 257 O GLY A 17 -1.512 3.197 -10.506 1.00 0.00 O ATOM 0 H GLY A 17 0.645 5.862 -7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.584 4.608 -10.372 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.026 3.823 -8.869 1.00 0.00 H new ATOM 261 N LEU A 18 -1.572 3.145 -8.314 1.00 0.00 N ATOM 262 CA LEU A 18 -2.796 2.289 -8.310 1.00 0.00 C ATOM 263 C LEU A 18 -3.973 3.043 -8.933 1.00 0.00 C ATOM 264 O LEU A 18 -4.560 2.604 -9.901 1.00 0.00 O ATOM 265 CB LEU A 18 -3.142 1.939 -6.861 1.00 0.00 C ATOM 266 CG LEU A 18 -2.106 0.959 -6.281 1.00 0.00 C ATOM 267 CD1 LEU A 18 -2.128 1.053 -4.756 1.00 0.00 C ATOM 268 CD2 LEU A 18 -2.453 -0.482 -6.683 1.00 0.00 C ATOM 0 H LEU A 18 -1.215 3.391 -7.391 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.606 1.386 -8.890 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.170 2.847 -6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.137 1.495 -6.815 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.121 1.218 -6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.396 0.361 -4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.882 2.070 -4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.122 0.795 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.712 -1.164 -6.266 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.440 -0.739 -6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.453 -0.567 -7.770 1.00 0.00 H new ATOM 280 N LYS A 19 -4.331 4.167 -8.379 1.00 0.00 N ATOM 281 CA LYS A 19 -5.482 4.943 -8.928 1.00 0.00 C ATOM 282 C LYS A 19 -5.265 5.201 -10.420 1.00 0.00 C ATOM 283 O LYS A 19 -6.166 5.609 -11.126 1.00 0.00 O ATOM 284 CB LYS A 19 -5.587 6.278 -8.185 1.00 0.00 C ATOM 285 CG LYS A 19 -6.966 6.896 -8.421 1.00 0.00 C ATOM 286 CD LYS A 19 -7.021 8.272 -7.754 1.00 0.00 C ATOM 287 CE LYS A 19 -8.352 8.955 -8.081 1.00 0.00 C ATOM 288 NZ LYS A 19 -8.313 9.480 -9.477 1.00 0.00 N ATOM 0 H LYS A 19 -3.876 4.585 -7.567 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.403 4.375 -8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.425 6.124 -7.118 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.809 6.959 -8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.158 6.989 -9.490 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.742 6.249 -8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.911 8.168 -6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.191 8.888 -8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.173 8.247 -7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.537 9.769 -7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.141 10.087 -9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.444 10.035 -9.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.326 8.685 -10.147 1.00 0.00 H new ATOM 302 N LYS A 20 -4.079 4.966 -10.909 1.00 0.00 N ATOM 303 CA LYS A 20 -3.820 5.197 -12.357 1.00 0.00 C ATOM 304 C LYS A 20 -4.808 4.372 -13.163 1.00 0.00 C ATOM 305 O LYS A 20 -5.168 4.713 -14.270 1.00 0.00 O ATOM 306 CB LYS A 20 -2.384 4.792 -12.709 1.00 0.00 C ATOM 307 CG LYS A 20 -2.030 5.318 -14.104 1.00 0.00 C ATOM 308 CD LYS A 20 -0.617 4.856 -14.503 1.00 0.00 C ATOM 309 CE LYS A 20 0.442 5.786 -13.898 1.00 0.00 C ATOM 310 NZ LYS A 20 1.777 5.449 -14.472 1.00 0.00 N ATOM 0 H LYS A 20 -3.282 4.626 -10.371 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.943 6.255 -12.590 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.690 5.194 -11.971 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.284 3.707 -12.682 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.757 4.958 -14.832 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.081 6.407 -14.114 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.451 3.835 -14.160 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.524 4.847 -15.589 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.194 6.826 -14.110 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.461 5.678 -12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.499 6.077 -14.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.012 4.461 -14.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.753 5.574 -15.504 1.00 0.00 H new ATOM 324 N ARG A 21 -5.278 3.305 -12.591 1.00 0.00 N ATOM 325 CA ARG A 21 -6.281 2.461 -13.280 1.00 0.00 C ATOM 326 C ARG A 21 -7.637 2.882 -12.737 1.00 0.00 C ATOM 327 O ARG A 21 -8.235 3.827 -13.211 1.00 0.00 O ATOM 328 CB ARG A 21 -6.023 0.987 -12.951 1.00 0.00 C ATOM 329 CG ARG A 21 -4.797 0.496 -13.735 1.00 0.00 C ATOM 330 CD ARG A 21 -4.315 -0.876 -13.199 1.00 0.00 C ATOM 331 NE ARG A 21 -4.117 -1.847 -14.331 1.00 0.00 N ATOM 332 CZ ARG A 21 -5.070 -2.116 -15.188 1.00 0.00 C ATOM 333 NH1 ARG A 21 -6.257 -1.594 -15.041 1.00 0.00 N ATOM 334 NH2 ARG A 21 -4.838 -2.933 -16.181 1.00 0.00 N ATOM 0 H ARG A 21 -5.006 2.979 -11.664 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.233 2.581 -14.362 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.856 0.866 -11.881 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.896 0.387 -13.208 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.046 0.411 -14.793 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.992 1.226 -13.655 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.380 -0.751 -12.652 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.045 -1.274 -12.495 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.214 -2.309 -14.434 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.447 -0.972 -14.255 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.995 -1.808 -15.712 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.917 -3.359 -16.287 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.578 -3.145 -16.851 1.00 0.00 H new ATOM 348 N LYS A 22 -8.119 2.213 -11.727 1.00 0.00 N ATOM 349 CA LYS A 22 -9.426 2.616 -11.130 1.00 0.00 C ATOM 350 C LYS A 22 -9.490 2.149 -9.660 1.00 0.00 C ATOM 351 O LYS A 22 -10.472 1.577 -9.225 1.00 0.00 O ATOM 352 CB LYS A 22 -10.588 2.012 -11.974 1.00 0.00 C ATOM 353 CG LYS A 22 -11.394 3.125 -12.673 1.00 0.00 C ATOM 354 CD LYS A 22 -12.314 3.838 -11.661 1.00 0.00 C ATOM 355 CE LYS A 22 -13.657 3.103 -11.555 1.00 0.00 C ATOM 356 NZ LYS A 22 -14.549 3.829 -10.606 1.00 0.00 N ATOM 0 H LYS A 22 -7.669 1.409 -11.290 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.526 3.701 -11.142 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.184 1.327 -12.719 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.247 1.430 -11.330 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.714 3.846 -13.126 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.991 2.699 -13.480 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.833 3.874 -10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.479 4.869 -11.973 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.127 3.040 -12.536 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.498 2.081 -11.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.459 3.331 -10.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.101 3.867 -9.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.710 4.796 -10.952 1.00 0.00 H new ATOM 370 N LEU A 23 -8.453 2.386 -8.888 1.00 0.00 N ATOM 371 CA LEU A 23 -8.459 1.951 -7.448 1.00 0.00 C ATOM 372 C LEU A 23 -8.348 3.167 -6.526 1.00 0.00 C ATOM 373 O LEU A 23 -7.729 4.159 -6.852 1.00 0.00 O ATOM 374 CB LEU A 23 -7.257 1.043 -7.174 1.00 0.00 C ATOM 375 CG LEU A 23 -7.172 -0.089 -8.199 1.00 0.00 C ATOM 376 CD1 LEU A 23 -5.840 -0.820 -8.008 1.00 0.00 C ATOM 377 CD2 LEU A 23 -8.325 -1.077 -7.982 1.00 0.00 C ATOM 0 H LEU A 23 -7.603 2.861 -9.191 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.392 1.420 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.340 1.631 -7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.336 0.623 -6.171 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.239 0.321 -9.207 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.763 -1.631 -8.732 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.017 -0.121 -8.157 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.791 -1.229 -6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.258 -1.881 -8.715 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.261 -1.496 -6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.276 -0.557 -8.098 1.00 0.00 H new ATOM 389 N SER A 24 -8.931 3.075 -5.358 1.00 0.00 N ATOM 390 CA SER A 24 -8.854 4.197 -4.377 1.00 0.00 C ATOM 391 C SER A 24 -8.917 3.612 -2.962 1.00 0.00 C ATOM 392 O SER A 24 -9.838 2.896 -2.627 1.00 0.00 O ATOM 393 CB SER A 24 -10.027 5.150 -4.587 1.00 0.00 C ATOM 394 OG SER A 24 -11.220 4.393 -4.738 1.00 0.00 O ATOM 0 H SER A 24 -9.461 2.264 -5.040 1.00 0.00 H new ATOM 0 HA SER A 24 -7.923 4.747 -4.516 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.117 5.828 -3.738 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.858 5.766 -5.471 1.00 0.00 H new ATOM 0 HG SER A 24 -11.978 5.000 -4.872 1.00 0.00 H new ATOM 400 N LEU A 25 -7.943 3.894 -2.134 1.00 0.00 N ATOM 401 CA LEU A 25 -7.946 3.328 -0.744 1.00 0.00 C ATOM 402 C LEU A 25 -9.350 3.415 -0.131 1.00 0.00 C ATOM 403 O LEU A 25 -9.744 2.583 0.659 1.00 0.00 O ATOM 404 CB LEU A 25 -6.968 4.108 0.146 1.00 0.00 C ATOM 405 CG LEU A 25 -5.566 4.132 -0.484 1.00 0.00 C ATOM 406 CD1 LEU A 25 -4.739 5.250 0.156 1.00 0.00 C ATOM 407 CD2 LEU A 25 -4.857 2.793 -0.247 1.00 0.00 C ATOM 0 H LEU A 25 -7.146 4.490 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.640 2.283 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.328 5.127 0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.921 3.649 1.134 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.665 4.305 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.745 5.268 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.230 6.208 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.653 5.071 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.865 2.822 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.764 2.615 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.438 1.989 -0.699 1.00 0.00 H new ATOM 419 N SER A 26 -10.108 4.408 -0.477 1.00 0.00 N ATOM 420 CA SER A 26 -11.472 4.521 0.102 1.00 0.00 C ATOM 421 C SER A 26 -12.350 3.380 -0.422 1.00 0.00 C ATOM 422 O SER A 26 -13.175 2.840 0.290 1.00 0.00 O ATOM 423 CB SER A 26 -12.084 5.863 -0.297 1.00 0.00 C ATOM 424 OG SER A 26 -11.284 6.915 0.228 1.00 0.00 O ATOM 0 H SER A 26 -9.847 5.145 -1.132 1.00 0.00 H new ATOM 0 HA SER A 26 -11.411 4.458 1.188 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.143 5.941 -1.383 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.103 5.940 0.084 1.00 0.00 H new ATOM 0 HG SER A 26 -11.671 7.779 -0.026 1.00 0.00 H new ATOM 430 N ALA A 27 -12.184 3.010 -1.663 1.00 0.00 N ATOM 431 CA ALA A 27 -13.018 1.912 -2.233 1.00 0.00 C ATOM 432 C ALA A 27 -12.455 0.544 -1.823 1.00 0.00 C ATOM 433 O ALA A 27 -13.189 -0.351 -1.453 1.00 0.00 O ATOM 434 CB ALA A 27 -13.020 2.017 -3.759 1.00 0.00 C ATOM 0 H ALA A 27 -11.507 3.420 -2.307 1.00 0.00 H new ATOM 0 HA ALA A 27 -14.034 2.007 -1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.629 1.216 -4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.433 2.981 -4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.999 1.930 -4.131 1.00 0.00 H new ATOM 440 N LEU A 28 -11.166 0.371 -1.888 1.00 0.00 N ATOM 441 CA LEU A 28 -10.572 -0.944 -1.512 1.00 0.00 C ATOM 442 C LEU A 28 -10.845 -1.238 -0.036 1.00 0.00 C ATOM 443 O LEU A 28 -11.035 -2.370 0.351 1.00 0.00 O ATOM 444 CB LEU A 28 -9.059 -0.898 -1.758 1.00 0.00 C ATOM 445 CG LEU A 28 -8.768 -1.105 -3.249 1.00 0.00 C ATOM 446 CD1 LEU A 28 -9.637 -0.166 -4.094 1.00 0.00 C ATOM 447 CD2 LEU A 28 -7.289 -0.817 -3.528 1.00 0.00 C ATOM 0 H LEU A 28 -10.497 1.081 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.021 -1.732 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.657 0.060 -1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.562 -1.670 -1.171 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.998 -2.137 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.421 -0.323 -5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.690 -0.375 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.419 0.869 -3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.083 -0.964 -4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.061 0.213 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.669 -1.494 -2.941 1.00 0.00 H new ATOM 459 N SER A 29 -10.866 -0.234 0.785 1.00 0.00 N ATOM 460 CA SER A 29 -11.117 -0.469 2.235 1.00 0.00 C ATOM 461 C SER A 29 -12.551 -0.965 2.449 1.00 0.00 C ATOM 462 O SER A 29 -12.778 -1.980 3.079 1.00 0.00 O ATOM 463 CB SER A 29 -10.928 0.837 3.001 1.00 0.00 C ATOM 464 OG SER A 29 -11.905 1.775 2.572 1.00 0.00 O ATOM 0 H SER A 29 -10.721 0.740 0.520 1.00 0.00 H new ATOM 0 HA SER A 29 -10.416 -1.221 2.596 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.021 0.661 4.073 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.927 1.232 2.829 1.00 0.00 H new ATOM 0 HG SER A 29 -11.508 2.382 1.913 1.00 0.00 H new ATOM 470 N ARG A 30 -13.521 -0.246 1.953 1.00 0.00 N ATOM 471 CA ARG A 30 -14.934 -0.675 2.149 1.00 0.00 C ATOM 472 C ARG A 30 -15.235 -1.939 1.329 1.00 0.00 C ATOM 473 O ARG A 30 -16.182 -2.651 1.607 1.00 0.00 O ATOM 474 CB ARG A 30 -15.881 0.461 1.745 1.00 0.00 C ATOM 475 CG ARG A 30 -15.926 0.596 0.216 1.00 0.00 C ATOM 476 CD ARG A 30 -16.593 1.934 -0.184 1.00 0.00 C ATOM 477 NE ARG A 30 -17.572 1.713 -1.298 1.00 0.00 N ATOM 478 CZ ARG A 30 -17.267 0.987 -2.342 1.00 0.00 C ATOM 479 NH1 ARG A 30 -16.063 0.507 -2.486 1.00 0.00 N ATOM 480 NH2 ARG A 30 -18.167 0.768 -3.261 1.00 0.00 N ATOM 0 H ARG A 30 -13.397 0.616 1.423 1.00 0.00 H new ATOM 0 HA ARG A 30 -15.087 -0.909 3.203 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -16.882 0.264 2.129 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.547 1.398 2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.916 0.549 -0.190 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -16.481 -0.238 -0.214 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -17.103 2.366 0.677 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -15.832 2.649 -0.496 1.00 0.00 H new ATOM 0 HE ARG A 30 -18.497 2.139 -1.240 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.351 0.697 -1.781 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.834 -0.058 -3.303 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -19.103 1.162 -3.163 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -17.935 0.203 -4.078 1.00 0.00 H new ATOM 494 N GLN A 31 -14.448 -2.231 0.329 1.00 0.00 N ATOM 495 CA GLN A 31 -14.711 -3.452 -0.489 1.00 0.00 C ATOM 496 C GLN A 31 -14.440 -4.707 0.352 1.00 0.00 C ATOM 497 O GLN A 31 -15.028 -5.747 0.126 1.00 0.00 O ATOM 498 CB GLN A 31 -13.799 -3.443 -1.730 1.00 0.00 C ATOM 499 CG GLN A 31 -14.488 -2.715 -2.890 1.00 0.00 C ATOM 500 CD GLN A 31 -13.549 -2.669 -4.099 1.00 0.00 C ATOM 501 OE1 GLN A 31 -12.588 -1.926 -4.110 1.00 0.00 O ATOM 502 NE2 GLN A 31 -13.789 -3.439 -5.125 1.00 0.00 N ATOM 0 H GLN A 31 -13.638 -1.681 0.043 1.00 0.00 H new ATOM 0 HA GLN A 31 -15.753 -3.459 -0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.855 -2.952 -1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.562 -4.466 -2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.413 -3.226 -3.155 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.758 -1.703 -2.588 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.596 -4.063 -5.117 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.170 -3.417 -5.935 1.00 0.00 H new ATOM 511 N PHE A 32 -13.550 -4.623 1.314 1.00 0.00 N ATOM 512 CA PHE A 32 -13.231 -5.818 2.166 1.00 0.00 C ATOM 513 C PHE A 32 -13.888 -5.662 3.542 1.00 0.00 C ATOM 514 O PHE A 32 -14.116 -6.632 4.236 1.00 0.00 O ATOM 515 CB PHE A 32 -11.707 -5.948 2.314 1.00 0.00 C ATOM 516 CG PHE A 32 -11.140 -6.563 1.051 1.00 0.00 C ATOM 517 CD1 PHE A 32 -11.035 -7.962 0.938 1.00 0.00 C ATOM 518 CD2 PHE A 32 -10.743 -5.740 -0.021 1.00 0.00 C ATOM 519 CE1 PHE A 32 -10.528 -8.539 -0.242 1.00 0.00 C ATOM 520 CE2 PHE A 32 -10.239 -6.316 -1.203 1.00 0.00 C ATOM 521 CZ PHE A 32 -10.132 -7.716 -1.314 1.00 0.00 C ATOM 0 H PHE A 32 -13.029 -3.778 1.547 1.00 0.00 H new ATOM 0 HA PHE A 32 -13.620 -6.720 1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.261 -4.969 2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -11.464 -6.568 3.177 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.344 -8.594 1.758 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.825 -4.666 0.064 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.443 -9.612 -0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.935 -5.684 -2.024 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.746 -8.158 -2.221 1.00 0.00 H new ATOM 531 N GLY A 33 -14.211 -4.448 3.939 1.00 0.00 N ATOM 532 CA GLY A 33 -14.878 -4.227 5.264 1.00 0.00 C ATOM 533 C GLY A 33 -14.028 -3.316 6.152 1.00 0.00 C ATOM 534 O GLY A 33 -14.522 -2.370 6.733 1.00 0.00 O ATOM 0 H GLY A 33 -14.040 -3.600 3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.861 -3.781 5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.036 -5.184 5.761 1.00 0.00 H new ATOM 538 N TYR A 34 -12.759 -3.589 6.275 1.00 0.00 N ATOM 539 CA TYR A 34 -11.903 -2.732 7.148 1.00 0.00 C ATOM 540 C TYR A 34 -12.151 -1.253 6.822 1.00 0.00 C ATOM 541 O TYR A 34 -11.955 -0.806 5.709 1.00 0.00 O ATOM 542 CB TYR A 34 -10.429 -3.079 6.934 1.00 0.00 C ATOM 543 CG TYR A 34 -10.265 -4.582 6.889 1.00 0.00 C ATOM 544 CD1 TYR A 34 -10.739 -5.382 7.952 1.00 0.00 C ATOM 545 CD2 TYR A 34 -9.640 -5.186 5.785 1.00 0.00 C ATOM 546 CE1 TYR A 34 -10.587 -6.780 7.903 1.00 0.00 C ATOM 547 CE2 TYR A 34 -9.490 -6.582 5.736 1.00 0.00 C ATOM 548 CZ TYR A 34 -9.964 -7.381 6.794 1.00 0.00 C ATOM 549 OH TYR A 34 -9.816 -8.752 6.743 1.00 0.00 O ATOM 0 H TYR A 34 -12.279 -4.362 5.814 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.158 -2.913 8.192 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.071 -2.636 6.005 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.825 -2.661 7.740 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.218 -4.921 8.803 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.274 -4.576 4.972 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -10.948 -7.391 8.717 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -9.010 -7.043 4.885 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.367 -9.002 5.909 1.00 0.00 H new ATOM 559 N ALA A 35 -12.602 -0.497 7.791 1.00 0.00 N ATOM 560 CA ALA A 35 -12.881 0.952 7.556 1.00 0.00 C ATOM 561 C ALA A 35 -11.716 1.583 6.762 1.00 0.00 C ATOM 562 O ALA A 35 -10.655 0.997 6.675 1.00 0.00 O ATOM 563 CB ALA A 35 -13.059 1.650 8.924 1.00 0.00 C ATOM 0 H ALA A 35 -12.790 -0.823 8.739 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.794 1.073 6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.263 2.709 8.768 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.892 1.195 9.459 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.147 1.539 9.511 1.00 0.00 H new ATOM 569 N PRO A 36 -11.938 2.767 6.214 1.00 0.00 N ATOM 570 CA PRO A 36 -10.890 3.469 5.439 1.00 0.00 C ATOM 571 C PRO A 36 -9.668 3.743 6.327 1.00 0.00 C ATOM 572 O PRO A 36 -8.553 3.839 5.852 1.00 0.00 O ATOM 573 CB PRO A 36 -11.555 4.789 4.975 1.00 0.00 C ATOM 574 CG PRO A 36 -12.980 4.840 5.600 1.00 0.00 C ATOM 575 CD PRO A 36 -13.226 3.494 6.316 1.00 0.00 C ATOM 0 HA PRO A 36 -10.530 2.883 4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.965 5.648 5.294 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.612 4.828 3.887 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.060 5.668 6.304 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.731 5.005 4.827 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.512 3.647 7.357 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.033 2.936 5.842 1.00 0.00 H new ATOM 583 N THR A 37 -9.870 3.881 7.608 1.00 0.00 N ATOM 584 CA THR A 37 -8.726 4.160 8.522 1.00 0.00 C ATOM 585 C THR A 37 -7.739 2.989 8.501 1.00 0.00 C ATOM 586 O THR A 37 -6.549 3.170 8.342 1.00 0.00 O ATOM 587 CB THR A 37 -9.251 4.357 9.945 1.00 0.00 C ATOM 588 OG1 THR A 37 -9.997 3.210 10.334 1.00 0.00 O ATOM 589 CG2 THR A 37 -10.151 5.594 9.994 1.00 0.00 C ATOM 0 H THR A 37 -10.780 3.812 8.063 1.00 0.00 H new ATOM 0 HA THR A 37 -8.214 5.063 8.189 1.00 0.00 H new ATOM 0 HB THR A 37 -8.412 4.495 10.627 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.333 3.332 11.246 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.524 5.733 11.009 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.579 6.472 9.695 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.992 5.459 9.314 1.00 0.00 H new ATOM 597 N THR A 38 -8.223 1.792 8.665 1.00 0.00 N ATOM 598 CA THR A 38 -7.315 0.608 8.663 1.00 0.00 C ATOM 599 C THR A 38 -6.481 0.583 7.376 1.00 0.00 C ATOM 600 O THR A 38 -5.272 0.713 7.404 1.00 0.00 O ATOM 601 CB THR A 38 -8.171 -0.666 8.759 1.00 0.00 C ATOM 602 OG1 THR A 38 -8.621 -0.822 10.098 1.00 0.00 O ATOM 603 CG2 THR A 38 -7.364 -1.911 8.349 1.00 0.00 C ATOM 0 H THR A 38 -9.211 1.579 8.801 1.00 0.00 H new ATOM 0 HA THR A 38 -6.634 0.664 9.512 1.00 0.00 H new ATOM 0 HB THR A 38 -9.017 -0.566 8.080 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.169 -1.632 10.167 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.996 -2.796 8.427 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.021 -1.800 7.320 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.503 -2.020 9.009 1.00 0.00 H new ATOM 611 N LEU A 39 -7.116 0.398 6.255 1.00 0.00 N ATOM 612 CA LEU A 39 -6.368 0.341 4.969 1.00 0.00 C ATOM 613 C LEU A 39 -5.413 1.531 4.855 1.00 0.00 C ATOM 614 O LEU A 39 -4.218 1.368 4.713 1.00 0.00 O ATOM 615 CB LEU A 39 -7.366 0.377 3.811 1.00 0.00 C ATOM 616 CG LEU A 39 -6.649 0.096 2.482 1.00 0.00 C ATOM 617 CD1 LEU A 39 -6.195 -1.375 2.406 1.00 0.00 C ATOM 618 CD2 LEU A 39 -7.614 0.396 1.334 1.00 0.00 C ATOM 0 H LEU A 39 -8.126 0.283 6.173 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.786 -0.580 4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.149 -0.364 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.852 1.352 3.771 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.765 0.729 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.690 -1.551 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.510 -1.587 3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.064 -2.028 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.119 0.201 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.494 -0.241 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.917 1.442 1.378 1.00 0.00 H new ATOM 630 N ALA A 40 -5.925 2.729 4.894 1.00 0.00 N ATOM 631 CA ALA A 40 -5.037 3.920 4.773 1.00 0.00 C ATOM 632 C ALA A 40 -3.939 3.847 5.837 1.00 0.00 C ATOM 633 O ALA A 40 -2.763 3.815 5.534 1.00 0.00 O ATOM 634 CB ALA A 40 -5.859 5.194 4.976 1.00 0.00 C ATOM 0 H ALA A 40 -6.918 2.936 5.004 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.584 3.935 3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.209 6.064 4.887 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.641 5.247 4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.313 5.180 5.967 1.00 0.00 H new ATOM 640 N ASN A 41 -4.324 3.832 7.082 1.00 0.00 N ATOM 641 CA ASN A 41 -3.324 3.773 8.187 1.00 0.00 C ATOM 642 C ASN A 41 -2.417 2.549 8.023 1.00 0.00 C ATOM 643 O ASN A 41 -1.450 2.389 8.742 1.00 0.00 O ATOM 644 CB ASN A 41 -4.058 3.685 9.527 1.00 0.00 C ATOM 645 CG ASN A 41 -3.091 4.024 10.664 1.00 0.00 C ATOM 646 OD1 ASN A 41 -1.901 4.148 10.449 1.00 0.00 O ATOM 647 ND2 ASN A 41 -3.557 4.179 11.873 1.00 0.00 N ATOM 0 H ASN A 41 -5.298 3.858 7.385 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.709 4.673 8.157 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.903 4.374 9.537 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.463 2.683 9.667 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.922 4.405 12.639 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.556 4.075 12.052 1.00 0.00 H new ATOM 654 N ALA A 42 -2.716 1.678 7.098 1.00 0.00 N ATOM 655 CA ALA A 42 -1.853 0.476 6.918 1.00 0.00 C ATOM 656 C ALA A 42 -0.527 0.892 6.277 1.00 0.00 C ATOM 657 O ALA A 42 0.363 0.087 6.091 1.00 0.00 O ATOM 658 CB ALA A 42 -2.558 -0.544 6.020 1.00 0.00 C ATOM 0 H ALA A 42 -3.513 1.745 6.465 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.663 0.023 7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.921 -1.419 5.894 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.500 -0.844 6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.756 -0.096 5.046 1.00 0.00 H new ATOM 664 N LEU A 43 -0.391 2.146 5.935 1.00 0.00 N ATOM 665 CA LEU A 43 0.875 2.617 5.304 1.00 0.00 C ATOM 666 C LEU A 43 1.901 2.943 6.396 1.00 0.00 C ATOM 667 O LEU A 43 3.055 3.203 6.111 1.00 0.00 O ATOM 668 CB LEU A 43 0.604 3.882 4.474 1.00 0.00 C ATOM 669 CG LEU A 43 -0.506 3.615 3.440 1.00 0.00 C ATOM 670 CD1 LEU A 43 -1.116 4.944 2.986 1.00 0.00 C ATOM 671 CD2 LEU A 43 0.076 2.894 2.219 1.00 0.00 C ATOM 0 H LEU A 43 -1.103 2.864 6.066 1.00 0.00 H new ATOM 0 HA LEU A 43 1.264 1.832 4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.309 4.700 5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.516 4.194 3.966 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.272 2.992 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.901 4.753 2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.540 5.462 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.342 5.564 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.716 2.710 1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.848 3.515 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.511 1.944 2.530 1.00 0.00 H new ATOM 683 N GLU A 44 1.486 2.944 7.643 1.00 0.00 N ATOM 684 CA GLU A 44 2.431 3.268 8.764 1.00 0.00 C ATOM 685 C GLU A 44 2.328 2.206 9.867 1.00 0.00 C ATOM 686 O GLU A 44 3.312 1.842 10.480 1.00 0.00 O ATOM 687 CB GLU A 44 2.070 4.634 9.352 1.00 0.00 C ATOM 688 CG GLU A 44 2.366 5.738 8.330 1.00 0.00 C ATOM 689 CD GLU A 44 2.329 7.100 9.024 1.00 0.00 C ATOM 690 OE1 GLU A 44 3.185 7.339 9.860 1.00 0.00 O ATOM 691 OE2 GLU A 44 1.445 7.880 8.711 1.00 0.00 O ATOM 0 H GLU A 44 0.531 2.734 7.934 1.00 0.00 H new ATOM 0 HA GLU A 44 3.449 3.285 8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.015 4.654 9.626 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.640 4.809 10.264 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.344 5.576 7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.632 5.709 7.524 1.00 0.00 H new ATOM 698 N ARG A 45 1.148 1.717 10.137 1.00 0.00 N ATOM 699 CA ARG A 45 1.001 0.693 11.212 1.00 0.00 C ATOM 700 C ARG A 45 1.513 -0.660 10.705 1.00 0.00 C ATOM 701 O ARG A 45 1.293 -1.035 9.571 1.00 0.00 O ATOM 702 CB ARG A 45 -0.484 0.584 11.619 1.00 0.00 C ATOM 703 CG ARG A 45 -0.786 1.582 12.744 1.00 0.00 C ATOM 704 CD ARG A 45 -2.254 1.460 13.158 1.00 0.00 C ATOM 705 NE ARG A 45 -2.645 2.657 13.974 1.00 0.00 N ATOM 706 CZ ARG A 45 -1.979 2.996 15.048 1.00 0.00 C ATOM 707 NH1 ARG A 45 -1.104 2.183 15.570 1.00 0.00 N ATOM 708 NH2 ARG A 45 -2.236 4.132 15.638 1.00 0.00 N ATOM 0 H ARG A 45 0.284 1.980 9.663 1.00 0.00 H new ATOM 0 HA ARG A 45 1.586 0.988 12.083 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.123 0.786 10.759 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.707 -0.430 11.950 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.139 1.388 13.599 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.575 2.598 12.409 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.887 1.387 12.274 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.406 0.548 13.735 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.447 3.218 13.685 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.933 1.273 15.141 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.590 2.456 16.407 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.954 4.751 15.261 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.719 4.400 16.475 1.00 0.00 H new ATOM 722 N HIS A 46 2.192 -1.394 11.546 1.00 0.00 N ATOM 723 CA HIS A 46 2.725 -2.720 11.127 1.00 0.00 C ATOM 724 C HIS A 46 1.574 -3.706 10.920 1.00 0.00 C ATOM 725 O HIS A 46 0.961 -4.174 11.857 1.00 0.00 O ATOM 726 CB HIS A 46 3.666 -3.263 12.204 1.00 0.00 C ATOM 727 CG HIS A 46 4.171 -4.614 11.782 1.00 0.00 C ATOM 728 ND1 HIS A 46 5.279 -4.767 10.963 1.00 0.00 N ATOM 729 CD2 HIS A 46 3.725 -5.886 12.052 1.00 0.00 C ATOM 730 CE1 HIS A 46 5.462 -6.087 10.770 1.00 0.00 C ATOM 731 NE2 HIS A 46 4.541 -6.814 11.411 1.00 0.00 N ATOM 0 H HIS A 46 2.400 -1.130 12.509 1.00 0.00 H new ATOM 0 HA HIS A 46 3.270 -2.600 10.191 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.502 -2.579 12.352 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.143 -3.338 13.157 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.871 -6.128 12.668 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.256 -6.507 10.170 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.455 -7.830 11.427 1.00 0.00 H new ATOM 739 N TRP A 47 1.293 -4.027 9.693 1.00 0.00 N ATOM 740 CA TRP A 47 0.202 -4.990 9.384 1.00 0.00 C ATOM 741 C TRP A 47 0.353 -5.395 7.905 1.00 0.00 C ATOM 742 O TRP A 47 -0.378 -4.919 7.062 1.00 0.00 O ATOM 743 CB TRP A 47 -1.159 -4.316 9.619 1.00 0.00 C ATOM 744 CG TRP A 47 -2.263 -5.267 9.280 1.00 0.00 C ATOM 745 CD1 TRP A 47 -2.348 -6.555 9.696 1.00 0.00 C ATOM 746 CD2 TRP A 47 -3.445 -5.025 8.465 1.00 0.00 C ATOM 747 NE1 TRP A 47 -3.499 -7.118 9.179 1.00 0.00 N ATOM 748 CE2 TRP A 47 -4.209 -6.220 8.411 1.00 0.00 C ATOM 749 CE3 TRP A 47 -3.923 -3.893 7.766 1.00 0.00 C ATOM 750 CZ2 TRP A 47 -5.408 -6.293 7.688 1.00 0.00 C ATOM 751 CZ3 TRP A 47 -5.130 -3.962 7.036 1.00 0.00 C ATOM 752 CH2 TRP A 47 -5.869 -5.161 6.998 1.00 0.00 C ATOM 0 H TRP A 47 1.780 -3.658 8.876 1.00 0.00 H new ATOM 0 HA TRP A 47 0.260 -5.870 10.025 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.244 -4.002 10.659 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.240 -3.418 9.007 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -1.632 -7.059 10.329 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.788 -8.082 9.346 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.362 -2.970 7.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.973 -7.213 7.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.488 -3.092 6.505 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.791 -5.209 6.437 1.00 0.00 H new ATOM 763 N PRO A 48 1.348 -6.222 7.627 1.00 0.00 N ATOM 764 CA PRO A 48 1.650 -6.655 6.242 1.00 0.00 C ATOM 765 C PRO A 48 0.439 -7.314 5.555 1.00 0.00 C ATOM 766 O PRO A 48 0.397 -7.415 4.345 1.00 0.00 O ATOM 767 CB PRO A 48 2.834 -7.640 6.387 1.00 0.00 C ATOM 768 CG PRO A 48 3.328 -7.554 7.859 1.00 0.00 C ATOM 769 CD PRO A 48 2.254 -6.789 8.658 1.00 0.00 C ATOM 0 HA PRO A 48 1.896 -5.807 5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.521 -8.656 6.145 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.636 -7.381 5.696 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.478 -8.551 8.273 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.287 -7.039 7.913 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.717 -7.453 9.335 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.699 -6.004 9.269 1.00 0.00 H new ATOM 777 N LYS A 49 -0.544 -7.755 6.290 1.00 0.00 N ATOM 778 CA LYS A 49 -1.719 -8.388 5.622 1.00 0.00 C ATOM 779 C LYS A 49 -2.523 -7.301 4.900 1.00 0.00 C ATOM 780 O LYS A 49 -3.220 -7.563 3.933 1.00 0.00 O ATOM 781 CB LYS A 49 -2.600 -9.084 6.667 1.00 0.00 C ATOM 782 CG LYS A 49 -3.569 -10.067 5.980 1.00 0.00 C ATOM 783 CD LYS A 49 -2.899 -11.434 5.809 1.00 0.00 C ATOM 784 CE LYS A 49 -3.881 -12.405 5.151 1.00 0.00 C ATOM 785 NZ LYS A 49 -4.959 -12.754 6.121 1.00 0.00 N ATOM 0 H LYS A 49 -0.587 -7.707 7.308 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.378 -9.132 4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.975 -9.619 7.382 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.164 -8.341 7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.477 -10.170 6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.868 -9.676 5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.002 -11.337 5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.584 -11.820 6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.313 -11.953 4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.359 -13.307 4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.464 -13.600 5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.539 -12.945 7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.627 -11.961 6.198 1.00 0.00 H new ATOM 799 N GLY A 50 -2.419 -6.078 5.346 1.00 0.00 N ATOM 800 CA GLY A 50 -3.162 -4.976 4.672 1.00 0.00 C ATOM 801 C GLY A 50 -2.453 -4.644 3.363 1.00 0.00 C ATOM 802 O GLY A 50 -3.050 -4.150 2.427 1.00 0.00 O ATOM 0 H GLY A 50 -1.853 -5.795 6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.192 -5.276 4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.201 -4.097 5.315 1.00 0.00 H new ATOM 806 N GLU A 51 -1.180 -4.927 3.288 1.00 0.00 N ATOM 807 CA GLU A 51 -0.431 -4.651 2.037 1.00 0.00 C ATOM 808 C GLU A 51 -0.902 -5.651 0.989 1.00 0.00 C ATOM 809 O GLU A 51 -0.999 -5.347 -0.182 1.00 0.00 O ATOM 810 CB GLU A 51 1.072 -4.836 2.272 1.00 0.00 C ATOM 811 CG GLU A 51 1.513 -4.066 3.522 1.00 0.00 C ATOM 812 CD GLU A 51 1.533 -2.567 3.221 1.00 0.00 C ATOM 813 OE1 GLU A 51 0.474 -2.018 2.968 1.00 0.00 O ATOM 814 OE2 GLU A 51 2.609 -1.992 3.251 1.00 0.00 O ATOM 0 H GLU A 51 -0.630 -5.338 4.042 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.608 -3.627 1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.301 -5.895 2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.629 -4.484 1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.832 -4.272 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.503 -4.397 3.835 1.00 0.00 H new ATOM 821 N GLN A 52 -1.209 -6.845 1.415 1.00 0.00 N ATOM 822 CA GLN A 52 -1.691 -7.875 0.461 1.00 0.00 C ATOM 823 C GLN A 52 -2.991 -7.383 -0.178 1.00 0.00 C ATOM 824 O GLN A 52 -3.224 -7.581 -1.352 1.00 0.00 O ATOM 825 CB GLN A 52 -1.930 -9.187 1.211 1.00 0.00 C ATOM 826 CG GLN A 52 -0.580 -9.781 1.619 1.00 0.00 C ATOM 827 CD GLN A 52 -0.799 -11.090 2.378 1.00 0.00 C ATOM 828 OE1 GLN A 52 0.138 -11.820 2.634 1.00 0.00 O ATOM 829 NE2 GLN A 52 -2.005 -11.423 2.748 1.00 0.00 N ATOM 0 H GLN A 52 -1.146 -7.150 2.386 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.949 -8.047 -0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.545 -9.010 2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.474 -9.888 0.579 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.031 -9.961 0.734 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.035 -9.074 2.245 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.792 -10.810 2.533 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.161 -12.296 3.252 1.00 0.00 H new ATOM 838 N ILE A 53 -3.832 -6.723 0.577 1.00 0.00 N ATOM 839 CA ILE A 53 -5.102 -6.205 -0.014 1.00 0.00 C ATOM 840 C ILE A 53 -4.756 -5.278 -1.184 1.00 0.00 C ATOM 841 O ILE A 53 -5.221 -5.450 -2.295 1.00 0.00 O ATOM 842 CB ILE A 53 -5.881 -5.413 1.051 1.00 0.00 C ATOM 843 CG1 ILE A 53 -6.391 -6.380 2.131 1.00 0.00 C ATOM 844 CG2 ILE A 53 -7.069 -4.693 0.398 1.00 0.00 C ATOM 845 CD1 ILE A 53 -7.024 -5.603 3.304 1.00 0.00 C ATOM 0 H ILE A 53 -3.696 -6.522 1.568 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.715 -7.036 -0.363 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.223 -4.673 1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.126 -7.060 1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.567 -6.992 2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.617 -4.134 1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.703 -4.006 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.731 -5.427 -0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.378 -6.307 4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.279 -4.942 3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.862 -5.011 2.938 1.00 0.00 H new ATOM 857 N ILE A 54 -3.943 -4.287 -0.934 1.00 0.00 N ATOM 858 CA ILE A 54 -3.567 -3.330 -2.012 1.00 0.00 C ATOM 859 C ILE A 54 -2.797 -4.062 -3.118 1.00 0.00 C ATOM 860 O ILE A 54 -3.127 -3.959 -4.283 1.00 0.00 O ATOM 861 CB ILE A 54 -2.686 -2.230 -1.408 1.00 0.00 C ATOM 862 CG1 ILE A 54 -3.546 -1.362 -0.476 1.00 0.00 C ATOM 863 CG2 ILE A 54 -2.099 -1.366 -2.529 1.00 0.00 C ATOM 864 CD1 ILE A 54 -2.669 -0.365 0.313 1.00 0.00 C ATOM 0 H ILE A 54 -3.522 -4.099 -0.024 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.466 -2.891 -2.444 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.868 -2.678 -0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.287 -0.817 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.094 -1.999 0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.473 -0.585 -2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.497 -1.989 -3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.909 -0.909 -3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.301 0.238 0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.945 -0.914 0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.141 0.286 -0.384 1.00 0.00 H new ATOM 876 N ALA A 55 -1.777 -4.791 -2.768 1.00 0.00 N ATOM 877 CA ALA A 55 -0.990 -5.516 -3.806 1.00 0.00 C ATOM 878 C ALA A 55 -1.907 -6.477 -4.564 1.00 0.00 C ATOM 879 O ALA A 55 -1.751 -6.695 -5.749 1.00 0.00 O ATOM 880 CB ALA A 55 0.127 -6.311 -3.128 1.00 0.00 C ATOM 0 H ALA A 55 -1.453 -4.917 -1.809 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.559 -4.798 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.705 -6.843 -3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.781 -5.629 -2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.308 -7.029 -2.432 1.00 0.00 H new ATOM 886 N ASN A 56 -2.866 -7.050 -3.892 1.00 0.00 N ATOM 887 CA ASN A 56 -3.793 -7.994 -4.579 1.00 0.00 C ATOM 888 C ASN A 56 -4.448 -7.280 -5.760 1.00 0.00 C ATOM 889 O ASN A 56 -4.734 -7.878 -6.778 1.00 0.00 O ATOM 890 CB ASN A 56 -4.879 -8.473 -3.610 1.00 0.00 C ATOM 891 CG ASN A 56 -5.879 -9.353 -4.364 1.00 0.00 C ATOM 892 OD1 ASN A 56 -6.771 -8.853 -5.020 1.00 0.00 O ATOM 893 ND2 ASN A 56 -5.768 -10.653 -4.300 1.00 0.00 N ATOM 0 H ASN A 56 -3.048 -6.906 -2.899 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.228 -8.858 -4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.429 -9.034 -2.791 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.391 -7.618 -3.168 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.430 -11.247 -4.800 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.020 -11.074 -3.750 1.00 0.00 H new ATOM 900 N ALA A 57 -4.696 -6.006 -5.627 1.00 0.00 N ATOM 901 CA ALA A 57 -5.343 -5.255 -6.738 1.00 0.00 C ATOM 902 C ALA A 57 -4.458 -5.309 -7.987 1.00 0.00 C ATOM 903 O ALA A 57 -4.942 -5.433 -9.094 1.00 0.00 O ATOM 904 CB ALA A 57 -5.557 -3.800 -6.314 1.00 0.00 C ATOM 0 H ALA A 57 -4.479 -5.454 -4.798 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.307 -5.709 -6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.031 -3.250 -7.127 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.198 -3.768 -5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.595 -3.344 -6.080 1.00 0.00 H new ATOM 910 N LEU A 58 -3.163 -5.229 -7.826 1.00 0.00 N ATOM 911 CA LEU A 58 -2.261 -5.283 -9.010 1.00 0.00 C ATOM 912 C LEU A 58 -1.920 -6.740 -9.313 1.00 0.00 C ATOM 913 O LEU A 58 -1.140 -7.031 -10.198 1.00 0.00 O ATOM 914 CB LEU A 58 -0.966 -4.530 -8.701 1.00 0.00 C ATOM 915 CG LEU A 58 -1.244 -3.034 -8.500 1.00 0.00 C ATOM 916 CD1 LEU A 58 0.040 -2.365 -8.007 1.00 0.00 C ATOM 917 CD2 LEU A 58 -1.684 -2.385 -9.826 1.00 0.00 C ATOM 0 H LEU A 58 -2.693 -5.129 -6.926 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.759 -4.827 -9.866 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.504 -4.943 -7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.256 -4.667 -9.517 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.044 -2.908 -7.771 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.139 -1.300 -7.858 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.346 -2.817 -7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.828 -2.501 -8.747 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.877 -1.324 -9.665 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.894 -2.502 -10.568 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.593 -2.869 -10.184 1.00 0.00 H new ATOM 929 N GLU A 59 -2.496 -7.660 -8.586 1.00 0.00 N ATOM 930 CA GLU A 59 -2.197 -9.097 -8.839 1.00 0.00 C ATOM 931 C GLU A 59 -0.696 -9.334 -8.631 1.00 0.00 C ATOM 932 O GLU A 59 -0.136 -10.292 -9.128 1.00 0.00 O ATOM 933 CB GLU A 59 -2.587 -9.450 -10.283 1.00 0.00 C ATOM 934 CG GLU A 59 -2.822 -10.957 -10.413 1.00 0.00 C ATOM 935 CD GLU A 59 -3.278 -11.279 -11.839 1.00 0.00 C ATOM 936 OE1 GLU A 59 -3.576 -10.346 -12.569 1.00 0.00 O ATOM 937 OE2 GLU A 59 -3.322 -12.449 -12.177 1.00 0.00 O ATOM 0 H GLU A 59 -3.158 -7.479 -7.831 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.764 -9.725 -8.153 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.489 -8.908 -10.567 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.798 -9.137 -10.967 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.906 -11.500 -10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.576 -11.282 -9.696 1.00 0.00 H new ATOM 944 N THR A 60 -0.044 -8.459 -7.900 1.00 0.00 N ATOM 945 CA THR A 60 1.428 -8.611 -7.653 1.00 0.00 C ATOM 946 C THR A 60 1.677 -8.960 -6.183 1.00 0.00 C ATOM 947 O THR A 60 0.766 -9.284 -5.447 1.00 0.00 O ATOM 948 CB THR A 60 2.138 -7.293 -8.008 1.00 0.00 C ATOM 949 OG1 THR A 60 3.534 -7.529 -8.122 1.00 0.00 O ATOM 950 CG2 THR A 60 1.886 -6.233 -6.927 1.00 0.00 C ATOM 0 H THR A 60 -0.470 -7.642 -7.462 1.00 0.00 H new ATOM 0 HA THR A 60 1.821 -9.415 -8.275 1.00 0.00 H new ATOM 0 HB THR A 60 1.742 -6.925 -8.955 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.969 -6.738 -8.503 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.397 -5.309 -7.197 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.816 -6.045 -6.844 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.266 -6.591 -5.970 1.00 0.00 H new ATOM 958 N LYS A 61 2.916 -8.895 -5.756 1.00 0.00 N ATOM 959 CA LYS A 61 3.260 -9.216 -4.336 1.00 0.00 C ATOM 960 C LYS A 61 3.603 -7.897 -3.608 1.00 0.00 C ATOM 961 O LYS A 61 4.092 -6.981 -4.237 1.00 0.00 O ATOM 962 CB LYS A 61 4.484 -10.155 -4.322 1.00 0.00 C ATOM 963 CG LYS A 61 4.370 -11.193 -5.468 1.00 0.00 C ATOM 964 CD LYS A 61 5.117 -10.693 -6.719 1.00 0.00 C ATOM 965 CE LYS A 61 6.603 -11.056 -6.625 1.00 0.00 C ATOM 966 NZ LYS A 61 6.791 -12.483 -7.018 1.00 0.00 N ATOM 0 H LYS A 61 3.711 -8.630 -6.338 1.00 0.00 H new ATOM 0 HA LYS A 61 2.424 -9.705 -3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.399 -9.574 -4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.549 -10.667 -3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.785 -12.148 -5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.321 -11.366 -5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.682 -11.138 -7.614 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.004 -9.613 -6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.189 -10.408 -7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.964 -10.897 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.627 -12.869 -6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.950 -13.032 -6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.927 -12.545 -8.047 1.00 0.00 H new ATOM 980 N PRO A 62 3.358 -7.821 -2.312 1.00 0.00 N ATOM 981 CA PRO A 62 3.669 -6.593 -1.552 1.00 0.00 C ATOM 982 C PRO A 62 5.175 -6.297 -1.644 1.00 0.00 C ATOM 983 O PRO A 62 5.611 -5.172 -1.502 1.00 0.00 O ATOM 984 CB PRO A 62 3.241 -6.908 -0.096 1.00 0.00 C ATOM 985 CG PRO A 62 2.834 -8.410 -0.049 1.00 0.00 C ATOM 986 CD PRO A 62 2.769 -8.913 -1.507 1.00 0.00 C ATOM 0 HA PRO A 62 3.153 -5.712 -1.934 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.059 -6.709 0.597 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.407 -6.274 0.205 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.559 -8.987 0.525 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.869 -8.532 0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.328 -9.841 -1.630 1.00 0.00 H new ATOM 0 HD3 PRO A 62 1.742 -9.117 -1.809 1.00 0.00 H new ATOM 994 N GLU A 63 5.969 -7.311 -1.868 1.00 0.00 N ATOM 995 CA GLU A 63 7.446 -7.115 -1.960 1.00 0.00 C ATOM 996 C GLU A 63 7.795 -6.164 -3.110 1.00 0.00 C ATOM 997 O GLU A 63 8.922 -5.735 -3.245 1.00 0.00 O ATOM 998 CB GLU A 63 8.119 -8.468 -2.211 1.00 0.00 C ATOM 999 CG GLU A 63 8.043 -9.334 -0.949 1.00 0.00 C ATOM 1000 CD GLU A 63 6.602 -9.796 -0.728 1.00 0.00 C ATOM 1001 OE1 GLU A 63 6.193 -10.734 -1.394 1.00 0.00 O ATOM 1002 OE2 GLU A 63 5.933 -9.209 0.106 1.00 0.00 O ATOM 0 H GLU A 63 5.655 -8.274 -1.992 1.00 0.00 H new ATOM 0 HA GLU A 63 7.800 -6.683 -1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.631 -8.978 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.160 -8.318 -2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.701 -10.197 -1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.390 -8.767 -0.085 1.00 0.00 H new ATOM 1009 N VAL A 64 6.849 -5.838 -3.953 1.00 0.00 N ATOM 1010 CA VAL A 64 7.148 -4.928 -5.104 1.00 0.00 C ATOM 1011 C VAL A 64 6.853 -3.475 -4.722 1.00 0.00 C ATOM 1012 O VAL A 64 7.499 -2.559 -5.189 1.00 0.00 O ATOM 1013 CB VAL A 64 6.268 -5.319 -6.295 1.00 0.00 C ATOM 1014 CG1 VAL A 64 6.678 -4.510 -7.528 1.00 0.00 C ATOM 1015 CG2 VAL A 64 6.435 -6.811 -6.590 1.00 0.00 C ATOM 0 H VAL A 64 5.883 -6.161 -3.896 1.00 0.00 H new ATOM 0 HA VAL A 64 8.202 -5.022 -5.366 1.00 0.00 H new ATOM 0 HB VAL A 64 5.226 -5.109 -6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.050 -4.791 -8.373 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.556 -3.447 -7.323 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.721 -4.715 -7.768 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.808 -7.087 -7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.478 -7.021 -6.827 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.138 -7.390 -5.716 1.00 0.00 H new ATOM 1025 N ILE A 65 5.878 -3.251 -3.882 1.00 0.00 N ATOM 1026 CA ILE A 65 5.531 -1.852 -3.484 1.00 0.00 C ATOM 1027 C ILE A 65 6.341 -1.428 -2.251 1.00 0.00 C ATOM 1028 O ILE A 65 6.478 -0.253 -1.975 1.00 0.00 O ATOM 1029 CB ILE A 65 4.030 -1.779 -3.182 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.231 -2.183 -4.443 1.00 0.00 C ATOM 1031 CG2 ILE A 65 3.663 -0.349 -2.766 1.00 0.00 C ATOM 1032 CD1 ILE A 65 1.866 -2.763 -4.042 1.00 0.00 C ATOM 0 H ILE A 65 5.305 -3.977 -3.452 1.00 0.00 H new ATOM 0 HA ILE A 65 5.775 -1.172 -4.300 1.00 0.00 H new ATOM 0 HB ILE A 65 3.785 -2.463 -2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.091 -1.315 -5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.793 -2.919 -5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.596 -0.295 -2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.227 -0.073 -1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.905 0.339 -3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.313 -3.044 -4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.014 -3.643 -3.416 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.301 -2.014 -3.487 1.00 0.00 H new ATOM 1044 N TRP A 66 6.891 -2.368 -1.506 1.00 0.00 N ATOM 1045 CA TRP A 66 7.706 -1.998 -0.292 1.00 0.00 C ATOM 1046 C TRP A 66 8.988 -2.851 -0.212 1.00 0.00 C ATOM 1047 O TRP A 66 9.114 -3.667 0.676 1.00 0.00 O ATOM 1048 CB TRP A 66 6.870 -2.230 0.971 1.00 0.00 C ATOM 1049 CG TRP A 66 5.799 -1.193 1.053 1.00 0.00 C ATOM 1050 CD1 TRP A 66 5.974 0.075 1.494 1.00 0.00 C ATOM 1051 CD2 TRP A 66 4.396 -1.310 0.685 1.00 0.00 C ATOM 1052 NE1 TRP A 66 4.768 0.748 1.415 1.00 0.00 N ATOM 1053 CE2 TRP A 66 3.764 -0.060 0.921 1.00 0.00 C ATOM 1054 CE3 TRP A 66 3.617 -2.370 0.170 1.00 0.00 C ATOM 1055 CZ2 TRP A 66 2.401 0.134 0.654 1.00 0.00 C ATOM 1056 CZ3 TRP A 66 2.244 -2.180 -0.102 1.00 0.00 C ATOM 1057 CH2 TRP A 66 1.638 -0.930 0.139 1.00 0.00 C ATOM 0 H TRP A 66 6.812 -3.369 -1.684 1.00 0.00 H new ATOM 0 HA TRP A 66 7.987 -0.948 -0.371 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.427 -3.226 0.950 1.00 0.00 H new ATOM 0 HB3 TRP A 66 7.506 -2.183 1.855 1.00 0.00 H new ATOM 0 HD1 TRP A 66 6.904 0.493 1.850 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.637 1.722 1.688 1.00 0.00 H new ATOM 0 HE3 TRP A 66 4.074 -3.331 -0.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.941 1.093 0.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.656 -2.996 -0.496 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.588 -0.789 -0.072 1.00 0.00 H new ATOM 1068 N PRO A 67 9.908 -2.638 -1.132 1.00 0.00 N ATOM 1069 CA PRO A 67 11.180 -3.390 -1.152 1.00 0.00 C ATOM 1070 C PRO A 67 12.146 -2.875 -0.062 1.00 0.00 C ATOM 1071 O PRO A 67 12.754 -3.648 0.653 1.00 0.00 O ATOM 1072 CB PRO A 67 11.761 -3.117 -2.560 1.00 0.00 C ATOM 1073 CG PRO A 67 10.972 -1.914 -3.151 1.00 0.00 C ATOM 1074 CD PRO A 67 9.761 -1.656 -2.226 1.00 0.00 C ATOM 0 HA PRO A 67 11.034 -4.452 -0.953 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.825 -2.889 -2.501 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.659 -3.996 -3.197 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.607 -1.030 -3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.640 -2.134 -4.166 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.765 -0.635 -1.845 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.820 -1.794 -2.758 1.00 0.00 H new