USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 110 TYR OH : rot -150:sc= 0.058 USER MOD Set 1.2: A 121 HIS : no HE2:sc= -0.144 X(o=-0.086,f=-0.49) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.046 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.17) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -164:sc= 1.21 (180deg=1.09) USER MOD Single : A 113 LYS NZ :NH3+ 163:sc= -0.0178 (180deg=-0.258) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.654 X(o=-0.65,f=-0.98) USER MOD Single : A 130 CYS SG : rot 180:sc= 0.00112 USER MOD Single : A 135 HIS : no HD1:sc= -0.0273 X(o=-0.027,f=0) USER MOD Single : A 136 ASN : amide:sc= 0.516 K(o=0.52,f=-0.17) USER MOD Single : A 137 HIS : no HE2:sc= -0.363 K(o=-0.36,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.270 -9.374 -12.854 1.00 0.00 N ATOM 85 CA TRP A 95 14.437 -9.316 -13.737 1.00 0.00 C ATOM 86 C TRP A 95 14.027 -9.543 -15.201 1.00 0.00 C ATOM 87 O TRP A 95 12.901 -9.950 -15.487 1.00 0.00 O ATOM 88 CB TRP A 95 15.489 -10.341 -13.288 1.00 0.00 C ATOM 89 CG TRP A 95 16.404 -9.858 -12.209 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.127 -9.827 -10.894 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.752 -9.326 -12.333 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.188 -9.319 -10.181 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.230 -8.986 -11.029 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.626 -9.092 -13.416 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.500 -8.441 -10.816 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.904 -8.536 -13.209 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.339 -8.207 -11.912 1.00 0.00 C ATOM 0 HA TRP A 95 14.878 -8.321 -13.670 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.978 -11.238 -12.939 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.087 -10.631 -14.152 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.196 -10.157 -10.456 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.205 -9.204 -9.168 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.311 -9.343 -14.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.830 -8.203 -9.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.555 -8.361 -14.053 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.318 -7.775 -11.762 1.00 0.00 H new ATOM 108 N THR A 96 14.956 -9.271 -16.130 1.00 0.00 N ATOM 109 CA THR A 96 14.713 -9.453 -17.557 1.00 0.00 C ATOM 110 C THR A 96 15.958 -10.056 -18.200 1.00 0.00 C ATOM 111 O THR A 96 17.064 -9.871 -17.697 1.00 0.00 O ATOM 112 CB THR A 96 14.363 -8.107 -18.220 1.00 0.00 C ATOM 113 OG1 THR A 96 15.530 -7.326 -18.364 1.00 0.00 O ATOM 114 CG2 THR A 96 13.342 -7.341 -17.373 1.00 0.00 C ATOM 0 H THR A 96 15.888 -8.921 -15.909 1.00 0.00 H new ATOM 0 HA THR A 96 13.868 -10.127 -17.698 1.00 0.00 H new ATOM 0 HB THR A 96 13.932 -8.307 -19.201 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.302 -6.472 -18.788 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.106 -6.393 -17.856 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.433 -7.934 -17.275 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.759 -7.150 -16.384 1.00 0.00 H new ATOM 122 N LYS A 97 15.777 -10.776 -19.315 1.00 0.00 N ATOM 123 CA LYS A 97 16.886 -11.402 -20.024 1.00 0.00 C ATOM 124 C LYS A 97 17.950 -10.357 -20.374 1.00 0.00 C ATOM 125 O LYS A 97 19.143 -10.641 -20.304 1.00 0.00 O ATOM 126 CB LYS A 97 16.354 -12.080 -21.293 1.00 0.00 C ATOM 127 CG LYS A 97 17.483 -12.854 -21.983 1.00 0.00 C ATOM 128 CD LYS A 97 16.943 -13.539 -23.241 1.00 0.00 C ATOM 129 CE LYS A 97 18.083 -14.274 -23.954 1.00 0.00 C ATOM 130 NZ LYS A 97 17.610 -14.903 -25.201 1.00 0.00 N ATOM 0 H LYS A 97 14.865 -10.936 -19.743 1.00 0.00 H new ATOM 0 HA LYS A 97 17.350 -12.154 -19.385 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.539 -12.758 -21.039 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.946 -11.331 -21.972 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.294 -12.176 -22.246 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.897 -13.597 -21.302 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.154 -14.242 -22.974 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.500 -12.800 -23.908 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.887 -13.574 -24.179 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.498 -15.035 -23.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.401 -15.394 -25.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.859 -15.588 -24.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.236 -14.171 -25.839 1.00 0.00 H new ATOM 144 N GLU A 98 17.512 -9.152 -20.752 1.00 0.00 N ATOM 145 CA GLU A 98 18.422 -8.078 -21.120 1.00 0.00 C ATOM 146 C GLU A 98 19.277 -7.678 -19.915 1.00 0.00 C ATOM 147 O GLU A 98 20.489 -7.513 -20.037 1.00 0.00 O ATOM 148 CB GLU A 98 17.612 -6.883 -21.632 1.00 0.00 C ATOM 149 CG GLU A 98 18.516 -5.959 -22.453 1.00 0.00 C ATOM 150 CD GLU A 98 17.878 -4.587 -22.622 1.00 0.00 C ATOM 151 OE1 GLU A 98 18.003 -3.785 -21.669 1.00 0.00 O ATOM 152 OE2 GLU A 98 17.282 -4.365 -23.694 1.00 0.00 O ATOM 0 H GLU A 98 16.525 -8.901 -20.809 1.00 0.00 H new ATOM 0 HA GLU A 98 19.090 -8.418 -21.911 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.780 -7.231 -22.244 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.183 -6.336 -20.793 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.483 -5.857 -21.960 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.702 -6.401 -23.432 1.00 0.00 H new ATOM 159 N GLU A 99 18.643 -7.521 -18.748 1.00 0.00 N ATOM 160 CA GLU A 99 19.351 -7.141 -17.536 1.00 0.00 C ATOM 161 C GLU A 99 20.309 -8.267 -17.136 1.00 0.00 C ATOM 162 O GLU A 99 21.441 -8.007 -16.733 1.00 0.00 O ATOM 163 CB GLU A 99 18.335 -6.848 -16.425 1.00 0.00 C ATOM 164 CG GLU A 99 18.470 -5.393 -15.966 1.00 0.00 C ATOM 165 CD GLU A 99 17.225 -4.943 -15.212 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.595 -5.817 -14.573 1.00 0.00 O ATOM 167 OE2 GLU A 99 16.926 -3.732 -15.287 1.00 0.00 O ATOM 0 H GLU A 99 17.639 -7.653 -18.624 1.00 0.00 H new ATOM 0 HA GLU A 99 19.938 -6.238 -17.706 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.324 -7.032 -16.787 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.499 -7.521 -15.583 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.345 -5.289 -15.325 1.00 0.00 H new ATOM 0 HG3 GLU A 99 18.630 -4.748 -16.830 1.00 0.00 H new ATOM 174 N ASP A 100 19.854 -9.520 -17.261 1.00 0.00 N ATOM 175 CA ASP A 100 20.681 -10.676 -16.954 1.00 0.00 C ATOM 176 C ASP A 100 21.909 -10.684 -17.867 1.00 0.00 C ATOM 177 O ASP A 100 23.012 -10.977 -17.416 1.00 0.00 O ATOM 178 CB ASP A 100 19.860 -11.958 -17.136 1.00 0.00 C ATOM 179 CG ASP A 100 19.069 -12.282 -15.880 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.687 -12.820 -14.940 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.855 -11.987 -15.877 1.00 0.00 O ATOM 0 H ASP A 100 18.912 -9.752 -17.575 1.00 0.00 H new ATOM 0 HA ASP A 100 21.018 -10.624 -15.919 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.179 -11.841 -17.979 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.524 -12.788 -17.376 1.00 0.00 H new ATOM 186 N GLN A 101 21.713 -10.352 -19.152 1.00 0.00 N ATOM 187 CA GLN A 101 22.804 -10.304 -20.116 1.00 0.00 C ATOM 188 C GLN A 101 23.902 -9.366 -19.612 1.00 0.00 C ATOM 189 O GLN A 101 25.087 -9.678 -19.734 1.00 0.00 O ATOM 190 CB GLN A 101 22.267 -9.835 -21.477 1.00 0.00 C ATOM 191 CG GLN A 101 23.306 -10.093 -22.576 1.00 0.00 C ATOM 192 CD GLN A 101 23.432 -11.584 -22.879 1.00 0.00 C ATOM 193 OE1 GLN A 101 22.616 -12.141 -23.608 1.00 0.00 O ATOM 194 NE2 GLN A 101 24.457 -12.229 -22.320 1.00 0.00 N ATOM 0 H GLN A 101 20.801 -10.113 -19.542 1.00 0.00 H new ATOM 0 HA GLN A 101 23.232 -11.299 -20.235 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.341 -10.361 -21.711 1.00 0.00 H new ATOM 0 HB3 GLN A 101 22.028 -8.772 -21.435 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.021 -9.558 -23.482 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.274 -9.700 -22.265 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.111 -11.725 -21.721 1.00 0.00 H new ATOM 0 HE22 GLN A 101 24.587 -13.226 -22.492 1.00 0.00 H new ATOM 203 N ARG A 102 23.511 -8.217 -19.043 1.00 0.00 N ATOM 204 CA ARG A 102 24.473 -7.261 -18.519 1.00 0.00 C ATOM 205 C ARG A 102 25.266 -7.901 -17.379 1.00 0.00 C ATOM 206 O ARG A 102 26.487 -7.819 -17.365 1.00 0.00 O ATOM 207 CB ARG A 102 23.759 -5.995 -18.037 1.00 0.00 C ATOM 208 CG ARG A 102 23.161 -5.243 -19.229 1.00 0.00 C ATOM 209 CD ARG A 102 22.587 -3.906 -18.751 1.00 0.00 C ATOM 210 NE ARG A 102 22.049 -3.127 -19.876 1.00 0.00 N ATOM 211 CZ ARG A 102 20.813 -3.307 -20.380 1.00 0.00 C ATOM 212 NH1 ARG A 102 20.013 -4.263 -19.897 1.00 0.00 N ATOM 213 NH2 ARG A 102 20.377 -2.527 -21.373 1.00 0.00 N ATOM 0 H ARG A 102 22.536 -7.935 -18.938 1.00 0.00 H new ATOM 0 HA ARG A 102 25.164 -6.978 -19.313 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.971 -6.259 -17.331 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.461 -5.352 -17.506 1.00 0.00 H new ATOM 0 HG2 ARG A 102 23.926 -5.073 -19.987 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.378 -5.842 -19.695 1.00 0.00 H new ATOM 0 HD2 ARG A 102 21.799 -4.086 -18.020 1.00 0.00 H new ATOM 0 HD3 ARG A 102 23.365 -3.332 -18.247 1.00 0.00 H new ATOM 0 HE ARG A 102 22.643 -2.413 -20.297 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.337 -4.865 -19.140 1.00 0.00 H new ATOM 0 HH12 ARG A 102 19.079 -4.391 -20.286 1.00 0.00 H new ATOM 0 HH21 ARG A 102 20.980 -1.795 -21.749 1.00 0.00 H new ATOM 0 HH22 ARG A 102 19.441 -2.663 -21.755 1.00 0.00 H new ATOM 227 N VAL A 103 24.574 -8.543 -16.425 1.00 0.00 N ATOM 228 CA VAL A 103 25.245 -9.196 -15.302 1.00 0.00 C ATOM 229 C VAL A 103 26.248 -10.219 -15.833 1.00 0.00 C ATOM 230 O VAL A 103 27.391 -10.252 -15.388 1.00 0.00 O ATOM 231 CB VAL A 103 24.215 -9.876 -14.387 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.937 -10.643 -13.274 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.310 -8.826 -13.749 1.00 0.00 C ATOM 0 H VAL A 103 23.557 -8.621 -16.413 1.00 0.00 H new ATOM 0 HA VAL A 103 25.777 -8.447 -14.716 1.00 0.00 H new ATOM 0 HB VAL A 103 23.617 -10.563 -14.985 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.202 -11.123 -12.628 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.584 -11.402 -13.715 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.539 -9.950 -12.686 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.583 -9.317 -13.102 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.913 -8.136 -13.159 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.787 -8.274 -14.530 1.00 0.00 H new ATOM 243 N ILE A 104 25.813 -11.052 -16.788 1.00 0.00 N ATOM 244 CA ILE A 104 26.669 -12.070 -17.379 1.00 0.00 C ATOM 245 C ILE A 104 27.950 -11.425 -17.910 1.00 0.00 C ATOM 246 O ILE A 104 29.049 -11.853 -17.561 1.00 0.00 O ATOM 247 CB ILE A 104 25.904 -12.794 -18.505 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.833 -13.712 -17.899 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.880 -13.627 -19.352 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.879 -14.213 -18.988 1.00 0.00 C ATOM 0 H ILE A 104 24.865 -11.034 -17.165 1.00 0.00 H new ATOM 0 HA ILE A 104 26.947 -12.804 -16.623 1.00 0.00 H new ATOM 0 HB ILE A 104 25.424 -12.051 -19.142 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.309 -14.560 -17.406 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.272 -13.172 -17.136 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.331 -14.135 -20.145 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.631 -12.971 -19.793 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.371 -14.366 -18.719 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.126 -14.862 -18.541 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.389 -13.362 -19.462 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.442 -14.771 -19.736 1.00 0.00 H new ATOM 262 N GLU A 105 27.805 -10.399 -18.755 1.00 0.00 N ATOM 263 CA GLU A 105 28.948 -9.721 -19.345 1.00 0.00 C ATOM 264 C GLU A 105 29.850 -9.141 -18.253 1.00 0.00 C ATOM 265 O GLU A 105 31.054 -9.363 -18.269 1.00 0.00 O ATOM 266 CB GLU A 105 28.459 -8.611 -20.281 1.00 0.00 C ATOM 267 CG GLU A 105 29.624 -8.123 -21.152 1.00 0.00 C ATOM 268 CD GLU A 105 29.371 -6.713 -21.668 1.00 0.00 C ATOM 269 OE1 GLU A 105 28.238 -6.474 -22.136 1.00 0.00 O ATOM 270 OE2 GLU A 105 30.320 -5.901 -21.581 1.00 0.00 O ATOM 0 H GLU A 105 26.901 -10.024 -19.042 1.00 0.00 H new ATOM 0 HA GLU A 105 29.531 -10.441 -19.919 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.651 -8.982 -20.911 1.00 0.00 H new ATOM 0 HB3 GLU A 105 28.055 -7.783 -19.699 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.547 -8.141 -20.573 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.762 -8.802 -21.993 1.00 0.00 H new ATOM 277 N LEU A 106 29.266 -8.389 -17.316 1.00 0.00 N ATOM 278 CA LEU A 106 30.023 -7.739 -16.253 1.00 0.00 C ATOM 279 C LEU A 106 30.814 -8.763 -15.435 1.00 0.00 C ATOM 280 O LEU A 106 31.978 -8.526 -15.120 1.00 0.00 O ATOM 281 CB LEU A 106 29.065 -6.951 -15.351 1.00 0.00 C ATOM 282 CG LEU A 106 28.492 -5.738 -16.106 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.361 -5.117 -15.281 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.588 -4.692 -16.333 1.00 0.00 C ATOM 0 H LEU A 106 28.261 -8.217 -17.276 1.00 0.00 H new ATOM 0 HA LEU A 106 30.740 -7.052 -16.703 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.253 -7.598 -15.020 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.590 -6.616 -14.457 1.00 0.00 H new ATOM 0 HG LEU A 106 28.109 -6.067 -17.072 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.953 -4.257 -15.812 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.575 -5.856 -15.128 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.750 -4.795 -14.315 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.171 -3.839 -16.868 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.980 -4.361 -15.371 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.394 -5.131 -16.922 1.00 0.00 H new ATOM 296 N VAL A 107 30.193 -9.896 -15.087 1.00 0.00 N ATOM 297 CA VAL A 107 30.863 -10.926 -14.302 1.00 0.00 C ATOM 298 C VAL A 107 31.983 -11.557 -15.128 1.00 0.00 C ATOM 299 O VAL A 107 33.072 -11.784 -14.618 1.00 0.00 O ATOM 300 CB VAL A 107 29.842 -11.981 -13.847 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.572 -13.226 -13.332 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.983 -11.403 -12.719 1.00 0.00 C ATOM 0 H VAL A 107 29.230 -10.118 -15.338 1.00 0.00 H new ATOM 0 HA VAL A 107 31.307 -10.479 -13.412 1.00 0.00 H new ATOM 0 HB VAL A 107 29.211 -12.255 -14.693 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.842 -13.969 -13.011 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.188 -13.643 -14.129 1.00 0.00 H new ATOM 0 HG13 VAL A 107 31.206 -12.953 -12.489 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.258 -12.150 -12.395 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.622 -11.129 -11.879 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.457 -10.519 -13.079 1.00 0.00 H new ATOM 312 N GLN A 108 31.718 -11.837 -16.405 1.00 0.00 N ATOM 313 CA GLN A 108 32.718 -12.427 -17.283 1.00 0.00 C ATOM 314 C GLN A 108 33.871 -11.437 -17.504 1.00 0.00 C ATOM 315 O GLN A 108 35.014 -11.847 -17.691 1.00 0.00 O ATOM 316 CB GLN A 108 32.052 -12.808 -18.610 1.00 0.00 C ATOM 317 CG GLN A 108 32.976 -13.726 -19.415 1.00 0.00 C ATOM 318 CD GLN A 108 32.283 -14.214 -20.682 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.574 -13.733 -21.775 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.365 -15.169 -20.537 1.00 0.00 N ATOM 0 H GLN A 108 30.817 -11.663 -16.850 1.00 0.00 H new ATOM 0 HA GLN A 108 33.134 -13.326 -16.827 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.103 -13.310 -18.419 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.828 -11.910 -19.185 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.889 -13.191 -19.677 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.271 -14.579 -18.804 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.156 -15.539 -19.610 1.00 0.00 H new ATOM 0 HE22 GLN A 108 30.871 -15.530 -21.353 1.00 0.00 H new ATOM 329 N LYS A 109 33.560 -10.133 -17.482 1.00 0.00 N ATOM 330 CA LYS A 109 34.550 -9.087 -17.688 1.00 0.00 C ATOM 331 C LYS A 109 35.436 -8.947 -16.447 1.00 0.00 C ATOM 332 O LYS A 109 36.650 -9.114 -16.534 1.00 0.00 O ATOM 333 CB LYS A 109 33.823 -7.771 -17.997 1.00 0.00 C ATOM 334 CG LYS A 109 34.810 -6.738 -18.551 1.00 0.00 C ATOM 335 CD LYS A 109 34.187 -5.331 -18.510 1.00 0.00 C ATOM 336 CE LYS A 109 32.796 -5.325 -19.165 1.00 0.00 C ATOM 337 NZ LYS A 109 32.840 -5.844 -20.545 1.00 0.00 N ATOM 0 H LYS A 109 32.616 -9.783 -17.321 1.00 0.00 H new ATOM 0 HA LYS A 109 35.194 -9.344 -18.529 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.027 -7.948 -18.720 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.352 -7.386 -17.092 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.730 -6.753 -17.966 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.079 -6.995 -19.576 1.00 0.00 H new ATOM 0 HD2 LYS A 109 34.108 -4.995 -17.476 1.00 0.00 H new ATOM 0 HD3 LYS A 109 34.839 -4.626 -19.026 1.00 0.00 H new ATOM 0 HE2 LYS A 109 32.111 -5.930 -18.570 1.00 0.00 H new ATOM 0 HE3 LYS A 109 32.401 -4.309 -19.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 31.966 -5.580 -21.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 33.658 -5.438 -21.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 32.927 -6.880 -20.524 1.00 0.00 H new ATOM 351 N TYR A 110 34.825 -8.633 -15.295 1.00 0.00 N ATOM 352 CA TYR A 110 35.561 -8.456 -14.051 1.00 0.00 C ATOM 353 C TYR A 110 35.763 -9.806 -13.365 1.00 0.00 C ATOM 354 O TYR A 110 36.877 -10.324 -13.318 1.00 0.00 O ATOM 355 CB TYR A 110 34.794 -7.506 -13.127 1.00 0.00 C ATOM 356 CG TYR A 110 34.557 -6.130 -13.710 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.639 -5.360 -14.174 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.250 -5.613 -13.772 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.412 -4.078 -14.703 1.00 0.00 C ATOM 360 CE2 TYR A 110 33.026 -4.332 -14.296 1.00 0.00 C ATOM 361 CZ TYR A 110 34.106 -3.564 -14.764 1.00 0.00 C ATOM 362 OH TYR A 110 33.885 -2.320 -15.274 1.00 0.00 O ATOM 0 H TYR A 110 33.818 -8.498 -15.207 1.00 0.00 H new ATOM 0 HA TYR A 110 36.538 -8.026 -14.273 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.832 -7.955 -12.881 1.00 0.00 H new ATOM 0 HB3 TYR A 110 35.345 -7.402 -12.192 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.643 -5.754 -14.124 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.419 -6.203 -13.416 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.242 -3.488 -15.063 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.023 -3.935 -14.340 1.00 0.00 H new ATOM 0 HH TYR A 110 33.100 -1.924 -14.841 1.00 0.00 H new ATOM 372 N GLY A 111 34.675 -10.363 -12.827 1.00 0.00 N ATOM 373 CA GLY A 111 34.705 -11.628 -12.117 1.00 0.00 C ATOM 374 C GLY A 111 33.504 -11.702 -11.174 1.00 0.00 C ATOM 375 O GLY A 111 32.743 -10.737 -11.069 1.00 0.00 O ATOM 0 H GLY A 111 33.748 -9.941 -12.876 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.679 -12.457 -12.824 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.633 -11.720 -11.552 1.00 0.00 H new ATOM 379 N PRO A 112 33.330 -12.842 -10.481 1.00 0.00 N ATOM 380 CA PRO A 112 32.251 -13.025 -9.530 1.00 0.00 C ATOM 381 C PRO A 112 32.386 -12.024 -8.378 1.00 0.00 C ATOM 382 O PRO A 112 33.400 -11.334 -8.266 1.00 0.00 O ATOM 383 CB PRO A 112 32.367 -14.473 -9.040 1.00 0.00 C ATOM 384 CG PRO A 112 33.646 -15.051 -9.661 1.00 0.00 C ATOM 385 CD PRO A 112 34.199 -13.988 -10.611 1.00 0.00 C ATOM 0 HA PRO A 112 31.273 -12.847 -9.978 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.415 -14.510 -7.952 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.495 -15.054 -9.341 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.375 -15.294 -8.888 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.431 -15.975 -10.198 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.226 -13.730 -10.351 1.00 0.00 H new ATOM 0 HD3 PRO A 112 34.212 -14.352 -11.638 1.00 0.00 H new ATOM 393 N LYS A 113 31.354 -11.946 -7.526 1.00 0.00 N ATOM 394 CA LYS A 113 31.334 -11.011 -6.404 1.00 0.00 C ATOM 395 C LYS A 113 31.393 -9.580 -6.950 1.00 0.00 C ATOM 396 O LYS A 113 30.915 -9.324 -8.054 1.00 0.00 O ATOM 397 CB LYS A 113 32.501 -11.297 -5.433 1.00 0.00 C ATOM 398 CG LYS A 113 32.594 -12.797 -5.106 1.00 0.00 C ATOM 399 CD LYS A 113 31.286 -13.286 -4.466 1.00 0.00 C ATOM 400 CE LYS A 113 31.429 -14.752 -4.037 1.00 0.00 C ATOM 401 NZ LYS A 113 32.384 -14.897 -2.923 1.00 0.00 N ATOM 0 H LYS A 113 30.518 -12.526 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 113 30.411 -11.135 -5.837 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.438 -10.959 -5.876 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.360 -10.729 -4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.795 -13.363 -6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.428 -12.977 -4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 113 31.041 -12.668 -3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 113 30.464 -13.184 -5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 113 30.456 -15.141 -3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 113 31.764 -15.350 -4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 32.250 -15.823 -2.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 33.356 -14.827 -3.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 32.221 -14.143 -2.225 1.00 0.00 H new ATOM 415 N ARG A 114 31.977 -8.649 -6.177 1.00 0.00 N ATOM 416 CA ARG A 114 32.094 -7.251 -6.587 1.00 0.00 C ATOM 417 C ARG A 114 30.721 -6.718 -7.003 1.00 0.00 C ATOM 418 O ARG A 114 30.593 -6.027 -8.015 1.00 0.00 O ATOM 419 CB ARG A 114 33.093 -7.131 -7.748 1.00 0.00 C ATOM 420 CG ARG A 114 34.450 -7.728 -7.352 1.00 0.00 C ATOM 421 CD ARG A 114 35.372 -7.790 -8.577 1.00 0.00 C ATOM 422 NE ARG A 114 35.852 -6.451 -8.961 1.00 0.00 N ATOM 423 CZ ARG A 114 35.290 -5.701 -9.931 1.00 0.00 C ATOM 424 NH1 ARG A 114 34.107 -6.044 -10.463 1.00 0.00 N ATOM 425 NH2 ARG A 114 35.919 -4.603 -10.367 1.00 0.00 N ATOM 0 H ARG A 114 32.376 -8.848 -5.260 1.00 0.00 H new ATOM 0 HA ARG A 114 32.460 -6.657 -5.750 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.704 -7.647 -8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.216 -6.083 -8.023 1.00 0.00 H new ATOM 0 HG2 ARG A 114 34.909 -7.122 -6.571 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.311 -8.727 -6.940 1.00 0.00 H new ATOM 0 HD2 ARG A 114 36.224 -8.434 -8.360 1.00 0.00 H new ATOM 0 HD3 ARG A 114 34.837 -8.240 -9.414 1.00 0.00 H new ATOM 0 HE ARG A 114 36.657 -6.069 -8.464 1.00 0.00 H new ATOM 0 HH11 ARG A 114 33.623 -6.880 -10.134 1.00 0.00 H new ATOM 0 HH12 ARG A 114 33.692 -5.469 -11.196 1.00 0.00 H new ATOM 0 HH21 ARG A 114 36.818 -4.337 -9.966 1.00 0.00 H new ATOM 0 HH22 ARG A 114 35.499 -4.032 -11.100 1.00 0.00 H new ATOM 439 N TRP A 115 29.694 -7.051 -6.218 1.00 0.00 N ATOM 440 CA TRP A 115 28.331 -6.650 -6.514 1.00 0.00 C ATOM 441 C TRP A 115 28.173 -5.135 -6.415 1.00 0.00 C ATOM 442 O TRP A 115 27.234 -4.581 -6.976 1.00 0.00 O ATOM 443 CB TRP A 115 27.387 -7.398 -5.575 1.00 0.00 C ATOM 444 CG TRP A 115 27.500 -8.881 -5.718 1.00 0.00 C ATOM 445 CD1 TRP A 115 27.890 -9.743 -4.764 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.271 -9.693 -6.905 1.00 0.00 C ATOM 447 NE1 TRP A 115 27.935 -11.028 -5.255 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.568 -11.055 -6.589 1.00 0.00 C ATOM 449 CE3 TRP A 115 26.853 -9.418 -8.227 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.470 -12.078 -7.537 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.743 -10.449 -9.179 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.060 -11.768 -8.839 1.00 0.00 C ATOM 0 H TRP A 115 29.790 -7.603 -5.366 1.00 0.00 H new ATOM 0 HA TRP A 115 28.078 -6.913 -7.541 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.606 -7.117 -4.545 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.360 -7.093 -5.778 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.135 -9.465 -3.749 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.202 -11.848 -4.710 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.615 -8.403 -8.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.708 -13.096 -7.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.411 -10.219 -10.181 1.00 0.00 H new ATOM 0 HH2 TRP A 115 26.988 -12.549 -9.582 1.00 0.00 H new ATOM 463 N SER A 116 29.098 -4.463 -5.722 1.00 0.00 N ATOM 464 CA SER A 116 29.076 -3.013 -5.624 1.00 0.00 C ATOM 465 C SER A 116 29.404 -2.414 -6.996 1.00 0.00 C ATOM 466 O SER A 116 28.769 -1.453 -7.423 1.00 0.00 O ATOM 467 CB SER A 116 30.092 -2.555 -4.575 1.00 0.00 C ATOM 468 OG SER A 116 29.736 -3.077 -3.312 1.00 0.00 O ATOM 0 H SER A 116 29.869 -4.907 -5.223 1.00 0.00 H new ATOM 0 HA SER A 116 28.087 -2.672 -5.317 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.091 -2.892 -4.850 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.122 -1.466 -4.534 1.00 0.00 H new ATOM 0 HG SER A 116 30.388 -2.785 -2.642 1.00 0.00 H new ATOM 474 N VAL A 117 30.398 -2.998 -7.684 1.00 0.00 N ATOM 475 CA VAL A 117 30.812 -2.544 -9.006 1.00 0.00 C ATOM 476 C VAL A 117 29.708 -2.852 -10.017 1.00 0.00 C ATOM 477 O VAL A 117 29.310 -1.983 -10.790 1.00 0.00 O ATOM 478 CB VAL A 117 32.129 -3.246 -9.389 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.488 -2.946 -10.850 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.256 -2.749 -8.477 1.00 0.00 C ATOM 0 H VAL A 117 30.931 -3.795 -7.335 1.00 0.00 H new ATOM 0 HA VAL A 117 30.981 -1.467 -9.002 1.00 0.00 H new ATOM 0 HB VAL A 117 32.003 -4.322 -9.269 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.421 -3.449 -11.106 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.691 -3.305 -11.502 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.607 -1.871 -10.982 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.188 -3.245 -8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.371 -1.672 -8.595 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.011 -2.976 -7.439 1.00 0.00 H new ATOM 490 N ILE A 118 29.217 -4.094 -10.004 1.00 0.00 N ATOM 491 CA ILE A 118 28.164 -4.523 -10.913 1.00 0.00 C ATOM 492 C ILE A 118 26.918 -3.645 -10.715 1.00 0.00 C ATOM 493 O ILE A 118 26.304 -3.213 -11.692 1.00 0.00 O ATOM 494 CB ILE A 118 27.875 -6.013 -10.658 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.070 -6.847 -11.157 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.601 -6.450 -11.394 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.056 -8.233 -10.515 1.00 0.00 C ATOM 0 H ILE A 118 29.539 -4.822 -9.366 1.00 0.00 H new ATOM 0 HA ILE A 118 28.475 -4.407 -11.951 1.00 0.00 H new ATOM 0 HB ILE A 118 27.728 -6.170 -9.589 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.028 -6.941 -12.242 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.003 -6.337 -10.917 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.414 -7.506 -11.201 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.755 -5.861 -11.039 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.728 -6.294 -12.465 1.00 0.00 H new ATOM 0 HD11 ILE A 118 29.906 -8.810 -10.877 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.121 -8.133 -9.432 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.131 -8.746 -10.777 1.00 0.00 H new ATOM 509 N ALA A 119 26.552 -3.373 -9.453 1.00 0.00 N ATOM 510 CA ALA A 119 25.398 -2.532 -9.143 1.00 0.00 C ATOM 511 C ALA A 119 25.633 -1.106 -9.648 1.00 0.00 C ATOM 512 O ALA A 119 24.711 -0.472 -10.155 1.00 0.00 O ATOM 513 CB ALA A 119 25.153 -2.532 -7.634 1.00 0.00 C ATOM 0 H ALA A 119 27.044 -3.727 -8.632 1.00 0.00 H new ATOM 0 HA ALA A 119 24.517 -2.933 -9.644 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.292 -1.904 -7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 119 24.959 -3.550 -7.297 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.033 -2.142 -7.123 1.00 0.00 H new ATOM 519 N LYS A 120 26.872 -0.606 -9.511 1.00 0.00 N ATOM 520 CA LYS A 120 27.230 0.736 -9.969 1.00 0.00 C ATOM 521 C LYS A 120 26.853 0.918 -11.440 1.00 0.00 C ATOM 522 O LYS A 120 26.444 2.006 -11.847 1.00 0.00 O ATOM 523 CB LYS A 120 28.739 0.957 -9.780 1.00 0.00 C ATOM 524 CG LYS A 120 28.983 2.151 -8.858 1.00 0.00 C ATOM 525 CD LYS A 120 30.489 2.324 -8.640 1.00 0.00 C ATOM 526 CE LYS A 120 30.773 3.722 -8.089 1.00 0.00 C ATOM 527 NZ LYS A 120 32.199 3.881 -7.751 1.00 0.00 N ATOM 0 H LYS A 120 27.643 -1.119 -9.083 1.00 0.00 H new ATOM 0 HA LYS A 120 26.680 1.470 -9.380 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.195 0.062 -9.357 1.00 0.00 H new ATOM 0 HB3 LYS A 120 29.213 1.131 -10.746 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.561 3.055 -9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.481 1.996 -7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.855 1.568 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 120 31.021 2.178 -9.580 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.485 4.472 -8.826 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.164 3.897 -7.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 32.363 4.838 -7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 32.465 3.180 -7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.776 3.737 -8.604 1.00 0.00 H new ATOM 541 N HIS A 121 26.998 -0.147 -12.235 1.00 0.00 N ATOM 542 CA HIS A 121 26.693 -0.102 -13.650 1.00 0.00 C ATOM 543 C HIS A 121 25.198 -0.303 -13.844 1.00 0.00 C ATOM 544 O HIS A 121 24.574 0.401 -14.639 1.00 0.00 O ATOM 545 CB HIS A 121 27.507 -1.179 -14.370 1.00 0.00 C ATOM 546 CG HIS A 121 28.973 -1.101 -14.025 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.650 0.107 -13.897 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.914 -2.061 -13.759 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.923 -0.192 -13.571 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.151 -1.502 -13.471 1.00 0.00 N ATOM 0 H HIS A 121 27.329 -1.055 -11.909 1.00 0.00 H new ATOM 0 HA HIS A 121 26.961 0.866 -14.073 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.123 -2.164 -14.103 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.381 -1.070 -15.447 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.258 1.040 -14.025 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.717 -3.123 -13.772 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.684 0.556 -13.407 1.00 0.00 H new ATOM 558 N LEU A 122 24.619 -1.257 -13.105 1.00 0.00 N ATOM 559 CA LEU A 122 23.194 -1.516 -13.170 1.00 0.00 C ATOM 560 C LEU A 122 22.463 -0.510 -12.282 1.00 0.00 C ATOM 561 O LEU A 122 21.879 -0.882 -11.263 1.00 0.00 O ATOM 562 CB LEU A 122 22.903 -2.955 -12.723 1.00 0.00 C ATOM 563 CG LEU A 122 23.556 -3.959 -13.685 1.00 0.00 C ATOM 564 CD1 LEU A 122 23.254 -5.379 -13.212 1.00 0.00 C ATOM 565 CD2 LEU A 122 23.006 -3.773 -15.102 1.00 0.00 C ATOM 0 H LEU A 122 25.126 -1.859 -12.456 1.00 0.00 H new ATOM 0 HA LEU A 122 22.842 -1.403 -14.195 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.281 -3.112 -11.713 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.826 -3.121 -12.690 1.00 0.00 H new ATOM 0 HG LEU A 122 24.633 -3.789 -13.697 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.716 -6.095 -13.892 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.655 -5.521 -12.208 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.175 -5.536 -13.197 1.00 0.00 H new ATOM 0 HD21 LEU A 122 23.478 -4.491 -15.773 1.00 0.00 H new ATOM 0 HD22 LEU A 122 21.928 -3.934 -15.098 1.00 0.00 H new ATOM 0 HD23 LEU A 122 23.220 -2.761 -15.445 1.00 0.00 H new ATOM 577 N LYS A 123 22.504 0.769 -12.679 1.00 0.00 N ATOM 578 CA LYS A 123 21.867 1.842 -11.930 1.00 0.00 C ATOM 579 C LYS A 123 20.407 1.485 -11.654 1.00 0.00 C ATOM 580 O LYS A 123 19.623 1.303 -12.585 1.00 0.00 O ATOM 581 CB LYS A 123 21.970 3.146 -12.727 1.00 0.00 C ATOM 582 CG LYS A 123 23.439 3.569 -12.838 1.00 0.00 C ATOM 583 CD LYS A 123 23.541 4.871 -13.634 1.00 0.00 C ATOM 584 CE LYS A 123 25.011 5.279 -13.764 1.00 0.00 C ATOM 585 NZ LYS A 123 25.149 6.525 -14.542 1.00 0.00 N ATOM 0 H LYS A 123 22.980 1.080 -13.526 1.00 0.00 H new ATOM 0 HA LYS A 123 22.372 1.976 -10.973 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.545 3.010 -13.721 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.392 3.930 -12.237 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.865 3.705 -11.844 1.00 0.00 H new ATOM 0 HG3 LYS A 123 24.017 2.786 -13.328 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.101 4.740 -14.622 1.00 0.00 H new ATOM 0 HD3 LYS A 123 22.977 5.659 -13.135 1.00 0.00 H new ATOM 0 HE2 LYS A 123 25.443 5.416 -12.773 1.00 0.00 H new ATOM 0 HE3 LYS A 123 25.572 4.480 -14.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 26.155 6.779 -14.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 24.757 6.384 -15.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 24.632 7.291 -14.065 1.00 0.00 H new ATOM 599 N GLY A 124 20.057 1.378 -10.365 1.00 0.00 N ATOM 600 CA GLY A 124 18.713 1.012 -9.943 1.00 0.00 C ATOM 601 C GLY A 124 18.786 -0.200 -9.019 1.00 0.00 C ATOM 602 O GLY A 124 18.039 -0.289 -8.046 1.00 0.00 O ATOM 0 H GLY A 124 20.702 1.544 -9.592 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.241 1.848 -9.428 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.096 0.784 -10.812 1.00 0.00 H new ATOM 606 N ARG A 125 19.697 -1.132 -9.330 1.00 0.00 N ATOM 607 CA ARG A 125 19.888 -2.331 -8.530 1.00 0.00 C ATOM 608 C ARG A 125 20.883 -2.043 -7.408 1.00 0.00 C ATOM 609 O ARG A 125 21.563 -1.016 -7.422 1.00 0.00 O ATOM 610 CB ARG A 125 20.401 -3.464 -9.428 1.00 0.00 C ATOM 611 CG ARG A 125 19.274 -3.960 -10.340 1.00 0.00 C ATOM 612 CD ARG A 125 18.504 -5.084 -9.635 1.00 0.00 C ATOM 613 NE ARG A 125 17.170 -5.284 -10.224 1.00 0.00 N ATOM 614 CZ ARG A 125 16.969 -5.661 -11.500 1.00 0.00 C ATOM 615 NH1 ARG A 125 17.998 -6.003 -12.278 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.730 -5.695 -12.001 1.00 0.00 N ATOM 0 H ARG A 125 20.314 -1.069 -10.139 1.00 0.00 H new ATOM 0 HA ARG A 125 18.940 -2.636 -8.086 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.239 -3.111 -10.030 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.772 -4.285 -8.815 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.599 -3.139 -10.582 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.686 -4.322 -11.282 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.073 -6.011 -9.700 1.00 0.00 H new ATOM 0 HD3 ARG A 125 18.402 -4.846 -8.576 1.00 0.00 H new ATOM 0 HE ARG A 125 16.354 -5.128 -9.633 1.00 0.00 H new ATOM 0 HH11 ARG A 125 18.948 -5.980 -11.907 1.00 0.00 H new ATOM 0 HH12 ARG A 125 17.835 -6.287 -13.244 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.936 -5.435 -11.416 1.00 0.00 H new ATOM 0 HH22 ARG A 125 15.579 -5.981 -12.968 1.00 0.00 H new ATOM 630 N ILE A 126 20.963 -2.960 -6.439 1.00 0.00 N ATOM 631 CA ILE A 126 21.872 -2.834 -5.308 1.00 0.00 C ATOM 632 C ILE A 126 22.722 -4.098 -5.208 1.00 0.00 C ATOM 633 O ILE A 126 22.499 -5.059 -5.949 1.00 0.00 O ATOM 634 CB ILE A 126 21.064 -2.605 -4.019 1.00 0.00 C ATOM 635 CG1 ILE A 126 19.958 -3.667 -3.899 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.440 -1.204 -4.051 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.356 -3.644 -2.492 1.00 0.00 C ATOM 0 H ILE A 126 20.397 -3.809 -6.421 1.00 0.00 H new ATOM 0 HA ILE A 126 22.533 -1.979 -5.450 1.00 0.00 H new ATOM 0 HB ILE A 126 21.727 -2.687 -3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.180 -3.478 -4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.367 -4.655 -4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 126 19.867 -1.040 -3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.229 -0.456 -4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.780 -1.119 -4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 126 18.574 -4.400 -2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.135 -3.855 -1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 126 18.930 -2.660 -2.295 1.00 0.00 H new ATOM 649 N GLY A 127 23.698 -4.096 -4.291 1.00 0.00 N ATOM 650 CA GLY A 127 24.583 -5.233 -4.100 1.00 0.00 C ATOM 651 C GLY A 127 23.870 -6.340 -3.327 1.00 0.00 C ATOM 652 O GLY A 127 24.254 -6.660 -2.204 1.00 0.00 O ATOM 0 H GLY A 127 23.889 -3.310 -3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.913 -5.611 -5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.476 -4.920 -3.559 1.00 0.00 H new ATOM 656 N LYS A 128 22.831 -6.922 -3.936 1.00 0.00 N ATOM 657 CA LYS A 128 22.062 -7.990 -3.319 1.00 0.00 C ATOM 658 C LYS A 128 21.258 -8.719 -4.395 1.00 0.00 C ATOM 659 O LYS A 128 21.421 -9.920 -4.582 1.00 0.00 O ATOM 660 CB LYS A 128 21.143 -7.401 -2.238 1.00 0.00 C ATOM 661 CG LYS A 128 20.314 -8.521 -1.601 1.00 0.00 C ATOM 662 CD LYS A 128 19.797 -8.082 -0.226 1.00 0.00 C ATOM 663 CE LYS A 128 18.835 -6.901 -0.378 1.00 0.00 C ATOM 664 NZ LYS A 128 18.170 -6.595 0.902 1.00 0.00 N ATOM 0 H LYS A 128 22.506 -6.662 -4.867 1.00 0.00 H new ATOM 0 HA LYS A 128 22.729 -8.709 -2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.738 -6.897 -1.476 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.484 -6.651 -2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.475 -8.775 -2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 128 20.922 -9.420 -1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.290 -8.914 0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 128 20.634 -7.799 0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 128 19.381 -6.025 -0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 128 18.086 -7.132 -1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 17.523 -5.791 0.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.631 -7.426 1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 18.886 -6.352 1.616 1.00 0.00 H new ATOM 678 N GLN A 129 20.392 -7.984 -5.107 1.00 0.00 N ATOM 679 CA GLN A 129 19.574 -8.563 -6.165 1.00 0.00 C ATOM 680 C GLN A 129 20.466 -9.275 -7.179 1.00 0.00 C ATOM 681 O GLN A 129 20.163 -10.390 -7.599 1.00 0.00 O ATOM 682 CB GLN A 129 18.766 -7.457 -6.847 1.00 0.00 C ATOM 683 CG GLN A 129 17.644 -6.982 -5.923 1.00 0.00 C ATOM 684 CD GLN A 129 16.878 -5.832 -6.562 1.00 0.00 C ATOM 685 OE1 GLN A 129 16.157 -6.029 -7.536 1.00 0.00 O ATOM 686 NE2 GLN A 129 17.041 -4.627 -6.018 1.00 0.00 N ATOM 0 H GLN A 129 20.245 -6.985 -4.963 1.00 0.00 H new ATOM 0 HA GLN A 129 18.886 -9.292 -5.737 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.419 -6.621 -7.099 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.346 -7.827 -7.782 1.00 0.00 H new ATOM 0 HG2 GLN A 129 16.964 -7.807 -5.713 1.00 0.00 H new ATOM 0 HG3 GLN A 129 18.062 -6.662 -4.968 1.00 0.00 H new ATOM 0 HE21 GLN A 129 17.651 -4.511 -5.209 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.556 -3.820 -6.411 1.00 0.00 H new ATOM 695 N CYS A 130 21.568 -8.623 -7.568 1.00 0.00 N ATOM 696 CA CYS A 130 22.512 -9.190 -8.520 1.00 0.00 C ATOM 697 C CYS A 130 23.078 -10.501 -7.972 1.00 0.00 C ATOM 698 O CYS A 130 23.157 -11.491 -8.697 1.00 0.00 O ATOM 699 CB CYS A 130 23.636 -8.185 -8.784 1.00 0.00 C ATOM 700 SG CYS A 130 22.938 -6.698 -9.546 1.00 0.00 S ATOM 0 H CYS A 130 21.823 -7.695 -7.231 1.00 0.00 H new ATOM 0 HA CYS A 130 22.002 -9.401 -9.460 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.138 -7.929 -7.851 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.387 -8.625 -9.439 1.00 0.00 H new ATOM 0 HG CYS A 130 23.888 -5.839 -9.771 1.00 0.00 H new ATOM 706 N ARG A 131 23.471 -10.502 -6.689 1.00 0.00 N ATOM 707 CA ARG A 131 24.024 -11.686 -6.047 1.00 0.00 C ATOM 708 C ARG A 131 23.035 -12.842 -6.161 1.00 0.00 C ATOM 709 O ARG A 131 23.383 -13.903 -6.678 1.00 0.00 O ATOM 710 CB ARG A 131 24.340 -11.365 -4.576 1.00 0.00 C ATOM 711 CG ARG A 131 25.176 -12.488 -3.939 1.00 0.00 C ATOM 712 CD ARG A 131 24.296 -13.704 -3.609 1.00 0.00 C ATOM 713 NE ARG A 131 24.720 -14.336 -2.352 1.00 0.00 N ATOM 714 CZ ARG A 131 24.315 -13.920 -1.133 1.00 0.00 C ATOM 715 NH1 ARG A 131 23.365 -12.980 -1.009 1.00 0.00 N ATOM 716 NH2 ARG A 131 24.868 -14.451 -0.035 1.00 0.00 N ATOM 0 H ARG A 131 23.412 -9.686 -6.079 1.00 0.00 H new ATOM 0 HA ARG A 131 24.949 -11.983 -6.542 1.00 0.00 H new ATOM 0 HB2 ARG A 131 24.882 -10.422 -4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.412 -11.236 -4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.973 -12.785 -4.620 1.00 0.00 H new ATOM 0 HG3 ARG A 131 25.653 -12.121 -3.030 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.254 -13.393 -3.530 1.00 0.00 H new ATOM 0 HD3 ARG A 131 24.352 -14.429 -4.421 1.00 0.00 H new ATOM 0 HE ARG A 131 25.355 -15.133 -2.403 1.00 0.00 H new ATOM 0 HH11 ARG A 131 22.940 -12.571 -1.841 1.00 0.00 H new ATOM 0 HH12 ARG A 131 23.068 -12.674 -0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 131 25.591 -15.165 -0.122 1.00 0.00 H new ATOM 0 HH22 ARG A 131 24.566 -14.141 0.889 1.00 0.00 H new ATOM 730 N GLU A 132 21.803 -12.638 -5.678 1.00 0.00 N ATOM 731 CA GLU A 132 20.782 -13.670 -5.726 1.00 0.00 C ATOM 732 C GLU A 132 20.596 -14.148 -7.164 1.00 0.00 C ATOM 733 O GLU A 132 20.782 -15.328 -7.445 1.00 0.00 O ATOM 734 CB GLU A 132 19.459 -13.132 -5.159 1.00 0.00 C ATOM 735 CG GLU A 132 19.419 -13.314 -3.634 1.00 0.00 C ATOM 736 CD GLU A 132 20.104 -12.159 -2.918 1.00 0.00 C ATOM 737 OE1 GLU A 132 19.402 -11.160 -2.662 1.00 0.00 O ATOM 738 OE2 GLU A 132 21.315 -12.297 -2.635 1.00 0.00 O ATOM 0 H GLU A 132 21.497 -11.764 -5.251 1.00 0.00 H new ATOM 0 HA GLU A 132 21.099 -14.516 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.351 -12.077 -5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 132 18.620 -13.656 -5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.383 -13.387 -3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 132 19.907 -14.251 -3.365 1.00 0.00 H new ATOM 745 N ARG A 133 20.229 -13.231 -8.073 1.00 0.00 N ATOM 746 CA ARG A 133 19.998 -13.569 -9.476 1.00 0.00 C ATOM 747 C ARG A 133 21.093 -14.497 -9.988 1.00 0.00 C ATOM 748 O ARG A 133 20.810 -15.485 -10.668 1.00 0.00 O ATOM 749 CB ARG A 133 19.970 -12.282 -10.317 1.00 0.00 C ATOM 750 CG ARG A 133 19.515 -12.582 -11.752 1.00 0.00 C ATOM 751 CD ARG A 133 18.052 -13.036 -11.772 1.00 0.00 C ATOM 752 NE ARG A 133 17.542 -13.064 -13.147 1.00 0.00 N ATOM 753 CZ ARG A 133 16.317 -13.508 -13.472 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.567 -14.138 -12.564 1.00 0.00 N ATOM 755 NH2 ARG A 133 15.848 -13.318 -14.709 1.00 0.00 N ATOM 0 H ARG A 133 20.087 -12.245 -7.854 1.00 0.00 H new ATOM 0 HA ARG A 133 19.040 -14.082 -9.562 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.296 -11.558 -9.860 1.00 0.00 H new ATOM 0 HB3 ARG A 133 20.961 -11.829 -10.332 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.633 -11.692 -12.370 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.147 -13.357 -12.185 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.966 -14.027 -11.326 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.447 -12.361 -11.167 1.00 0.00 H new ATOM 0 HE ARG A 133 18.149 -12.729 -13.895 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.924 -14.283 -11.620 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.637 -14.474 -12.815 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.420 -12.837 -15.403 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.918 -13.654 -14.959 1.00 0.00 H new ATOM 769 N TRP A 134 22.345 -14.167 -9.668 1.00 0.00 N ATOM 770 CA TRP A 134 23.477 -14.927 -10.135 1.00 0.00 C ATOM 771 C TRP A 134 23.512 -16.325 -9.517 1.00 0.00 C ATOM 772 O TRP A 134 23.479 -17.315 -10.239 1.00 0.00 O ATOM 773 CB TRP A 134 24.767 -14.164 -9.824 1.00 0.00 C ATOM 774 CG TRP A 134 25.911 -14.597 -10.666 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.056 -15.156 -10.239 1.00 0.00 C ATOM 776 CD2 TRP A 134 26.021 -14.531 -12.106 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.875 -15.456 -11.301 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.272 -15.094 -12.494 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.182 -14.053 -13.134 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.655 -15.193 -13.830 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.561 -14.148 -14.470 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.784 -14.733 -14.826 1.00 0.00 C ATOM 0 H TRP A 134 22.589 -13.369 -9.081 1.00 0.00 H new ATOM 0 HA TRP A 134 23.384 -15.056 -11.213 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.597 -13.097 -9.971 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.022 -14.304 -8.774 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.299 -15.344 -9.204 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.797 -15.885 -11.222 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.232 -13.607 -12.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.612 -15.619 -14.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.906 -13.767 -15.240 1.00 0.00 H new ATOM 0 HH2 TRP A 134 27.055 -14.829 -15.867 1.00 0.00 H new ATOM 793 N HIS A 135 23.598 -16.403 -8.187 1.00 0.00 N ATOM 794 CA HIS A 135 23.735 -17.677 -7.487 1.00 0.00 C ATOM 795 C HIS A 135 22.478 -18.552 -7.603 1.00 0.00 C ATOM 796 O HIS A 135 22.540 -19.739 -7.293 1.00 0.00 O ATOM 797 CB HIS A 135 24.072 -17.401 -6.021 1.00 0.00 C ATOM 798 CG HIS A 135 25.503 -16.961 -5.841 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.483 -17.795 -5.316 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.155 -15.783 -6.116 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.631 -17.088 -5.305 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.499 -15.849 -5.781 1.00 0.00 N ATOM 0 H HIS A 135 23.575 -15.590 -7.571 1.00 0.00 H new ATOM 0 HA HIS A 135 24.541 -18.240 -7.957 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.405 -16.630 -5.635 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.893 -18.301 -5.433 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.679 -14.912 -6.541 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.568 -17.487 -4.945 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.213 -15.126 -5.876 1.00 0.00 H new ATOM 810 N ASN A 136 21.345 -17.988 -8.038 1.00 0.00 N ATOM 811 CA ASN A 136 20.111 -18.758 -8.161 1.00 0.00 C ATOM 812 C ASN A 136 20.131 -19.609 -9.420 1.00 0.00 C ATOM 813 O ASN A 136 20.460 -20.792 -9.375 1.00 0.00 O ATOM 814 CB ASN A 136 18.898 -17.817 -8.199 1.00 0.00 C ATOM 815 CG ASN A 136 18.386 -17.532 -6.805 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.248 -17.853 -6.478 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.225 -16.933 -5.984 1.00 0.00 N ATOM 0 H ASN A 136 21.261 -17.008 -8.308 1.00 0.00 H new ATOM 0 HA ASN A 136 20.034 -19.413 -7.293 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.174 -16.882 -8.686 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.104 -18.266 -8.797 1.00 0.00 H new ATOM 0 HD21 ASN A 136 18.938 -16.717 -5.030 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.162 -16.686 -6.303 1.00 0.00 H new ATOM 824 N HIS A 137 19.742 -18.997 -10.536 1.00 0.00 N ATOM 825 CA HIS A 137 19.589 -19.711 -11.806 1.00 0.00 C ATOM 826 C HIS A 137 20.870 -19.690 -12.648 1.00 0.00 C ATOM 827 O HIS A 137 21.218 -20.708 -13.244 1.00 0.00 O ATOM 828 CB HIS A 137 18.415 -19.114 -12.609 1.00 0.00 C ATOM 829 CG HIS A 137 17.577 -18.137 -11.823 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.524 -18.534 -11.006 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.613 -16.771 -11.712 1.00 0.00 C ATOM 832 CE1 HIS A 137 16.006 -17.412 -10.467 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.627 -16.297 -10.858 1.00 0.00 N ATOM 0 H HIS A 137 19.525 -18.002 -10.589 1.00 0.00 H new ATOM 0 HA HIS A 137 19.379 -20.754 -11.568 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.809 -18.612 -13.493 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.777 -19.925 -12.961 1.00 0.00 H new ATOM 0 HD1 HIS A 137 16.205 -19.489 -10.846 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.323 -16.140 -12.227 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.169 -17.415 -9.784 1.00 0.00 H new ATOM 841 N LEU A 138 21.560 -18.542 -12.725 1.00 0.00 N ATOM 842 CA LEU A 138 22.748 -18.419 -13.570 1.00 0.00 C ATOM 843 C LEU A 138 23.967 -19.076 -12.890 1.00 0.00 C ATOM 844 O LEU A 138 23.994 -20.289 -12.705 1.00 0.00 O ATOM 845 CB LEU A 138 23.007 -16.929 -13.896 1.00 0.00 C ATOM 846 CG LEU A 138 22.072 -16.448 -15.018 1.00 0.00 C ATOM 847 CD1 LEU A 138 20.671 -16.189 -14.469 1.00 0.00 C ATOM 848 CD2 LEU A 138 22.615 -15.154 -15.612 1.00 0.00 C ATOM 0 H LEU A 138 21.315 -17.694 -12.215 1.00 0.00 H new ATOM 0 HA LEU A 138 22.579 -18.946 -14.509 1.00 0.00 H new ATOM 0 HB2 LEU A 138 22.853 -16.324 -13.003 1.00 0.00 H new ATOM 0 HB3 LEU A 138 24.046 -16.793 -14.198 1.00 0.00 H new ATOM 0 HG LEU A 138 22.021 -17.221 -15.784 1.00 0.00 H new ATOM 0 HD11 LEU A 138 20.021 -15.849 -15.276 1.00 0.00 H new ATOM 0 HD12 LEU A 138 20.271 -17.110 -14.044 1.00 0.00 H new ATOM 0 HD13 LEU A 138 20.719 -15.423 -13.695 1.00 0.00 H new ATOM 0 HD21 LEU A 138 21.953 -14.813 -16.407 1.00 0.00 H new ATOM 0 HD22 LEU A 138 22.671 -14.392 -14.834 1.00 0.00 H new ATOM 0 HD23 LEU A 138 23.610 -15.330 -16.020 1.00 0.00 H new