USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=10 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 109 LYS NZ :NH3+ -155:sc= 0.91 (180deg=0) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0.795 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.31 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= 0.272 X(o=0.27,f=-0.21) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.118) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0474) USER MOD Single : A 121 HIS : no HE2:sc= -0.62 K(o=-0.62,f=-1.8) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -161:sc= 1.24 (180deg=0.871) USER MOD Single : A 129 GLN : amide:sc= 1.44 K(o=1.4,f=-8.6!) USER MOD Single : A 130 CYS SG : rot 180:sc= 0.00937 USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 ASN : amide:sc= 0.747 K(o=0.75,f=-0.14) USER MOD Single : A 137 HIS : no HE2:sc= -0.306 K(o=-0.31,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.216 -9.390 -13.186 1.00 0.00 N ATOM 85 CA TRP A 95 14.378 -9.219 -14.050 1.00 0.00 C ATOM 86 C TRP A 95 13.996 -9.353 -15.528 1.00 0.00 C ATOM 87 O TRP A 95 12.857 -9.680 -15.863 1.00 0.00 O ATOM 88 CB TRP A 95 15.461 -10.230 -13.658 1.00 0.00 C ATOM 89 CG TRP A 95 16.340 -9.774 -12.544 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.003 -9.720 -11.244 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.708 -9.292 -12.611 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.045 -9.240 -10.487 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.137 -8.954 -11.288 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.638 -9.101 -13.655 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.412 -8.453 -11.022 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.922 -8.594 -13.393 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.310 -8.270 -12.080 1.00 0.00 C ATOM 0 HA TRP A 95 14.773 -8.212 -13.915 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.983 -11.166 -13.370 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.078 -10.443 -14.531 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.042 -10.014 -10.847 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.017 -9.112 -9.475 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.359 -9.348 -14.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.703 -8.209 -10.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.617 -8.452 -14.207 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.299 -7.881 -11.889 1.00 0.00 H new ATOM 108 N THR A 96 14.967 -9.083 -16.412 1.00 0.00 N ATOM 109 CA THR A 96 14.762 -9.157 -17.849 1.00 0.00 C ATOM 110 C THR A 96 16.002 -9.766 -18.496 1.00 0.00 C ATOM 111 O THR A 96 17.102 -9.640 -17.963 1.00 0.00 O ATOM 112 CB THR A 96 14.494 -7.749 -18.413 1.00 0.00 C ATOM 113 OG1 THR A 96 15.700 -7.013 -18.450 1.00 0.00 O ATOM 114 CG2 THR A 96 13.476 -7.008 -17.537 1.00 0.00 C ATOM 0 H THR A 96 15.912 -8.808 -16.143 1.00 0.00 H new ATOM 0 HA THR A 96 13.898 -9.784 -18.069 1.00 0.00 H new ATOM 0 HB THR A 96 14.092 -7.848 -19.421 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.526 -6.119 -18.811 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.297 -6.015 -17.948 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.540 -7.566 -17.516 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.867 -6.916 -16.524 1.00 0.00 H new ATOM 122 N LYS A 97 15.825 -10.425 -19.647 1.00 0.00 N ATOM 123 CA LYS A 97 16.933 -11.045 -20.362 1.00 0.00 C ATOM 124 C LYS A 97 18.003 -9.999 -20.687 1.00 0.00 C ATOM 125 O LYS A 97 19.192 -10.302 -20.669 1.00 0.00 O ATOM 126 CB LYS A 97 16.403 -11.696 -21.645 1.00 0.00 C ATOM 127 CG LYS A 97 17.534 -12.462 -22.344 1.00 0.00 C ATOM 128 CD LYS A 97 16.967 -13.316 -23.485 1.00 0.00 C ATOM 129 CE LYS A 97 16.416 -12.414 -24.596 1.00 0.00 C ATOM 130 NZ LYS A 97 16.066 -13.202 -25.792 1.00 0.00 N ATOM 0 H LYS A 97 14.918 -10.540 -20.100 1.00 0.00 H new ATOM 0 HA LYS A 97 17.390 -11.812 -19.736 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.584 -12.375 -21.408 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.002 -10.933 -22.312 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.270 -11.761 -22.736 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.051 -13.098 -21.626 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.746 -13.965 -23.886 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.176 -13.964 -23.106 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.535 -11.884 -24.235 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.158 -11.659 -24.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.696 -12.569 -26.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.914 -13.688 -26.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.341 -13.906 -25.544 1.00 0.00 H new ATOM 144 N GLU A 98 17.571 -8.769 -20.986 1.00 0.00 N ATOM 145 CA GLU A 98 18.479 -7.683 -21.324 1.00 0.00 C ATOM 146 C GLU A 98 19.353 -7.336 -20.117 1.00 0.00 C ATOM 147 O GLU A 98 20.566 -7.177 -20.247 1.00 0.00 O ATOM 148 CB GLU A 98 17.659 -6.467 -21.766 1.00 0.00 C ATOM 149 CG GLU A 98 18.564 -5.461 -22.479 1.00 0.00 C ATOM 150 CD GLU A 98 17.930 -4.078 -22.490 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.046 -3.865 -23.344 1.00 0.00 O ATOM 152 OE2 GLU A 98 18.344 -3.259 -21.638 1.00 0.00 O ATOM 0 H GLU A 98 16.586 -8.506 -20.999 1.00 0.00 H new ATOM 0 HA GLU A 98 19.134 -7.989 -22.140 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.855 -6.782 -22.431 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.191 -5.999 -20.900 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.532 -5.418 -21.980 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.747 -5.790 -23.502 1.00 0.00 H new ATOM 159 N GLU A 99 18.733 -7.217 -18.940 1.00 0.00 N ATOM 160 CA GLU A 99 19.453 -6.893 -17.722 1.00 0.00 C ATOM 161 C GLU A 99 20.394 -8.043 -17.364 1.00 0.00 C ATOM 162 O GLU A 99 21.550 -7.815 -17.014 1.00 0.00 O ATOM 163 CB GLU A 99 18.447 -6.627 -16.603 1.00 0.00 C ATOM 164 CG GLU A 99 19.121 -5.846 -15.474 1.00 0.00 C ATOM 165 CD GLU A 99 18.172 -5.655 -14.299 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.970 -5.967 -14.476 1.00 0.00 O ATOM 167 OE2 GLU A 99 18.661 -5.198 -13.243 1.00 0.00 O ATOM 0 H GLU A 99 17.729 -7.342 -18.813 1.00 0.00 H new ATOM 0 HA GLU A 99 20.056 -5.996 -17.865 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.598 -6.063 -16.991 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.056 -7.570 -16.222 1.00 0.00 H new ATOM 0 HG2 GLU A 99 20.013 -6.377 -15.142 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.447 -4.874 -15.844 1.00 0.00 H new ATOM 174 N ASP A 100 19.897 -9.279 -17.461 1.00 0.00 N ATOM 175 CA ASP A 100 20.695 -10.457 -17.170 1.00 0.00 C ATOM 176 C ASP A 100 21.908 -10.507 -18.100 1.00 0.00 C ATOM 177 O ASP A 100 23.008 -10.820 -17.658 1.00 0.00 O ATOM 178 CB ASP A 100 19.828 -11.710 -17.329 1.00 0.00 C ATOM 179 CG ASP A 100 19.077 -12.010 -16.046 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.725 -12.519 -15.109 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.863 -11.725 -16.021 1.00 0.00 O ATOM 0 H ASP A 100 18.938 -9.483 -17.742 1.00 0.00 H new ATOM 0 HA ASP A 100 21.058 -10.413 -16.143 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.120 -11.567 -18.145 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.455 -12.560 -17.596 1.00 0.00 H new ATOM 186 N GLN A 101 21.706 -10.194 -19.388 1.00 0.00 N ATOM 187 CA GLN A 101 22.787 -10.194 -20.366 1.00 0.00 C ATOM 188 C GLN A 101 23.940 -9.313 -19.876 1.00 0.00 C ATOM 189 O GLN A 101 25.106 -9.687 -20.011 1.00 0.00 O ATOM 190 CB GLN A 101 22.254 -9.705 -21.721 1.00 0.00 C ATOM 191 CG GLN A 101 23.370 -9.716 -22.776 1.00 0.00 C ATOM 192 CD GLN A 101 23.929 -11.122 -22.983 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.399 -11.890 -23.780 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.002 -11.455 -22.265 1.00 0.00 N ATOM 0 H GLN A 101 20.796 -9.937 -19.771 1.00 0.00 H new ATOM 0 HA GLN A 101 23.168 -11.208 -20.489 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.432 -10.343 -22.046 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.853 -8.697 -21.618 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.983 -9.334 -23.721 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.172 -9.046 -22.466 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.409 -10.783 -21.614 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.416 -12.382 -22.367 1.00 0.00 H new ATOM 203 N ARG A 102 23.618 -8.145 -19.303 1.00 0.00 N ATOM 204 CA ARG A 102 24.639 -7.245 -18.791 1.00 0.00 C ATOM 205 C ARG A 102 25.396 -7.923 -17.649 1.00 0.00 C ATOM 206 O ARG A 102 26.620 -7.899 -17.628 1.00 0.00 O ATOM 207 CB ARG A 102 24.002 -5.933 -18.320 1.00 0.00 C ATOM 208 CG ARG A 102 23.668 -5.054 -19.528 1.00 0.00 C ATOM 209 CD ARG A 102 23.101 -3.714 -19.048 1.00 0.00 C ATOM 210 NE ARG A 102 21.678 -3.836 -18.694 1.00 0.00 N ATOM 211 CZ ARG A 102 20.676 -3.659 -19.578 1.00 0.00 C ATOM 212 NH1 ARG A 102 20.941 -3.432 -20.870 1.00 0.00 N ATOM 213 NH2 ARG A 102 19.405 -3.709 -19.169 1.00 0.00 N ATOM 0 H ARG A 102 22.662 -7.810 -19.187 1.00 0.00 H new ATOM 0 HA ARG A 102 25.345 -7.011 -19.588 1.00 0.00 H new ATOM 0 HB2 ARG A 102 23.097 -6.142 -17.750 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.684 -5.406 -17.653 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.563 -4.888 -20.128 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.944 -5.558 -20.168 1.00 0.00 H new ATOM 0 HD2 ARG A 102 23.665 -3.366 -18.183 1.00 0.00 H new ATOM 0 HD3 ARG A 102 23.221 -2.964 -19.830 1.00 0.00 H new ATOM 0 HE ARG A 102 21.437 -4.066 -17.730 1.00 0.00 H new ATOM 0 HH11 ARG A 102 21.908 -3.392 -21.193 1.00 0.00 H new ATOM 0 HH12 ARG A 102 20.176 -3.299 -21.532 1.00 0.00 H new ATOM 0 HH21 ARG A 102 19.192 -3.881 -18.187 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.648 -3.575 -19.839 1.00 0.00 H new ATOM 227 N VAL A 103 24.670 -8.533 -16.700 1.00 0.00 N ATOM 228 CA VAL A 103 25.303 -9.210 -15.571 1.00 0.00 C ATOM 229 C VAL A 103 26.246 -10.296 -16.079 1.00 0.00 C ATOM 230 O VAL A 103 27.371 -10.395 -15.611 1.00 0.00 O ATOM 231 CB VAL A 103 24.238 -9.812 -14.643 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.919 -10.550 -13.485 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.365 -8.701 -14.074 1.00 0.00 C ATOM 0 H VAL A 103 23.651 -8.568 -16.696 1.00 0.00 H new ATOM 0 HA VAL A 103 25.881 -8.482 -15.001 1.00 0.00 H new ATOM 0 HB VAL A 103 23.624 -10.508 -15.214 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.160 -10.976 -12.829 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.546 -11.349 -13.881 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.536 -9.851 -12.921 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.610 -9.132 -13.416 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.985 -8.005 -13.509 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.874 -8.170 -14.890 1.00 0.00 H new ATOM 243 N ILE A 104 25.784 -11.110 -17.035 1.00 0.00 N ATOM 244 CA ILE A 104 26.593 -12.187 -17.592 1.00 0.00 C ATOM 245 C ILE A 104 27.943 -11.637 -18.057 1.00 0.00 C ATOM 246 O ILE A 104 28.992 -12.145 -17.661 1.00 0.00 O ATOM 247 CB ILE A 104 25.831 -12.853 -18.755 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.646 -13.667 -18.213 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.776 -13.778 -19.538 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.722 -14.087 -19.360 1.00 0.00 C ATOM 0 H ILE A 104 24.849 -11.038 -17.437 1.00 0.00 H new ATOM 0 HA ILE A 104 26.782 -12.941 -16.827 1.00 0.00 H new ATOM 0 HB ILE A 104 25.455 -12.075 -19.420 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.012 -14.550 -17.689 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.090 -13.074 -17.487 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.231 -14.245 -20.358 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.606 -13.196 -19.939 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.163 -14.550 -18.873 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.887 -14.663 -18.962 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.342 -13.199 -19.865 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.279 -14.698 -20.070 1.00 0.00 H new ATOM 262 N GLU A 105 27.912 -10.599 -18.898 1.00 0.00 N ATOM 263 CA GLU A 105 29.124 -9.995 -19.429 1.00 0.00 C ATOM 264 C GLU A 105 29.987 -9.436 -18.293 1.00 0.00 C ATOM 265 O GLU A 105 31.171 -9.751 -18.202 1.00 0.00 O ATOM 266 CB GLU A 105 28.729 -8.891 -20.421 1.00 0.00 C ATOM 267 CG GLU A 105 29.981 -8.202 -20.987 1.00 0.00 C ATOM 268 CD GLU A 105 30.384 -6.994 -20.142 1.00 0.00 C ATOM 269 OE1 GLU A 105 29.520 -6.107 -19.969 1.00 0.00 O ATOM 270 OE2 GLU A 105 31.547 -6.980 -19.686 1.00 0.00 O ATOM 0 H GLU A 105 27.050 -10.161 -19.224 1.00 0.00 H new ATOM 0 HA GLU A 105 29.718 -10.748 -19.948 1.00 0.00 H new ATOM 0 HB2 GLU A 105 28.143 -9.318 -21.235 1.00 0.00 H new ATOM 0 HB3 GLU A 105 28.096 -8.156 -19.923 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.805 -8.914 -21.022 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.791 -7.884 -22.012 1.00 0.00 H new ATOM 277 N LEU A 106 29.391 -8.599 -17.438 1.00 0.00 N ATOM 278 CA LEU A 106 30.112 -7.949 -16.350 1.00 0.00 C ATOM 279 C LEU A 106 30.739 -8.973 -15.395 1.00 0.00 C ATOM 280 O LEU A 106 31.817 -8.727 -14.864 1.00 0.00 O ATOM 281 CB LEU A 106 29.159 -7.020 -15.592 1.00 0.00 C ATOM 282 CG LEU A 106 28.718 -5.851 -16.490 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.567 -5.103 -15.813 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.890 -4.889 -16.716 1.00 0.00 C ATOM 0 H LEU A 106 28.401 -8.357 -17.484 1.00 0.00 H new ATOM 0 HA LEU A 106 30.927 -7.365 -16.778 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.285 -7.580 -15.258 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.651 -6.635 -14.699 1.00 0.00 H new ATOM 0 HG LEU A 106 28.390 -6.242 -17.453 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.250 -4.273 -16.445 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.730 -5.784 -15.662 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.900 -4.718 -14.849 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.567 -4.065 -17.353 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.228 -4.496 -15.757 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.710 -5.421 -17.199 1.00 0.00 H new ATOM 296 N VAL A 107 30.077 -10.114 -15.169 1.00 0.00 N ATOM 297 CA VAL A 107 30.606 -11.137 -14.275 1.00 0.00 C ATOM 298 C VAL A 107 31.769 -11.847 -14.959 1.00 0.00 C ATOM 299 O VAL A 107 32.810 -12.057 -14.349 1.00 0.00 O ATOM 300 CB VAL A 107 29.498 -12.126 -13.889 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.118 -13.375 -13.255 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.554 -11.467 -12.877 1.00 0.00 C ATOM 0 H VAL A 107 29.179 -10.346 -15.593 1.00 0.00 H new ATOM 0 HA VAL A 107 30.971 -10.675 -13.358 1.00 0.00 H new ATOM 0 HB VAL A 107 28.942 -12.408 -14.783 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.328 -14.075 -12.982 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.792 -13.849 -13.969 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.676 -13.091 -12.362 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.767 -12.169 -12.603 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.115 -11.185 -11.986 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.108 -10.577 -13.321 1.00 0.00 H new ATOM 312 N GLN A 108 31.594 -12.212 -16.231 1.00 0.00 N ATOM 313 CA GLN A 108 32.646 -12.867 -16.990 1.00 0.00 C ATOM 314 C GLN A 108 33.865 -11.939 -17.071 1.00 0.00 C ATOM 315 O GLN A 108 35.003 -12.402 -17.093 1.00 0.00 O ATOM 316 CB GLN A 108 32.114 -13.213 -18.383 1.00 0.00 C ATOM 317 CG GLN A 108 33.080 -14.166 -19.092 1.00 0.00 C ATOM 318 CD GLN A 108 32.462 -14.699 -20.379 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.838 -14.281 -21.471 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.510 -15.622 -20.250 1.00 0.00 N ATOM 0 H GLN A 108 30.730 -12.062 -16.752 1.00 0.00 H new ATOM 0 HA GLN A 108 32.954 -13.790 -16.500 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.130 -13.675 -18.301 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.991 -12.303 -18.971 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.011 -13.647 -19.318 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.330 -14.996 -18.432 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.230 -15.939 -19.322 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.061 -16.011 -21.079 1.00 0.00 H new ATOM 329 N LYS A 109 33.609 -10.624 -17.107 1.00 0.00 N ATOM 330 CA LYS A 109 34.654 -9.617 -17.166 1.00 0.00 C ATOM 331 C LYS A 109 35.369 -9.518 -15.814 1.00 0.00 C ATOM 332 O LYS A 109 36.579 -9.717 -15.739 1.00 0.00 O ATOM 333 CB LYS A 109 34.009 -8.278 -17.547 1.00 0.00 C ATOM 334 CG LYS A 109 35.069 -7.183 -17.681 1.00 0.00 C ATOM 335 CD LYS A 109 34.370 -5.842 -17.915 1.00 0.00 C ATOM 336 CE LYS A 109 35.408 -4.726 -18.039 1.00 0.00 C ATOM 337 NZ LYS A 109 34.758 -3.403 -18.046 1.00 0.00 N ATOM 0 H LYS A 109 32.665 -10.237 -17.096 1.00 0.00 H new ATOM 0 HA LYS A 109 35.400 -9.887 -17.913 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.468 -8.384 -18.488 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.279 -7.993 -16.790 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.680 -7.137 -16.779 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.740 -7.408 -18.510 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.766 -5.891 -18.821 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.690 -5.628 -17.090 1.00 0.00 H new ATOM 0 HE2 LYS A 109 36.113 -4.785 -17.210 1.00 0.00 H new ATOM 0 HE3 LYS A 109 35.983 -4.858 -18.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 35.369 -2.719 -18.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 33.845 -3.467 -18.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 34.601 -3.088 -17.067 1.00 0.00 H new ATOM 351 N TYR A 110 34.615 -9.199 -14.751 1.00 0.00 N ATOM 352 CA TYR A 110 35.174 -9.044 -13.413 1.00 0.00 C ATOM 353 C TYR A 110 35.135 -10.383 -12.670 1.00 0.00 C ATOM 354 O TYR A 110 36.151 -11.069 -12.577 1.00 0.00 O ATOM 355 CB TYR A 110 34.387 -7.964 -12.655 1.00 0.00 C ATOM 356 CG TYR A 110 34.418 -6.606 -13.331 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.649 -5.972 -13.583 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.216 -5.976 -13.707 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.677 -4.717 -14.212 1.00 0.00 C ATOM 360 CE2 TYR A 110 33.247 -4.721 -14.336 1.00 0.00 C ATOM 361 CZ TYR A 110 34.476 -4.092 -14.590 1.00 0.00 C ATOM 362 OH TYR A 110 34.506 -2.876 -15.207 1.00 0.00 O ATOM 0 H TYR A 110 33.608 -9.044 -14.801 1.00 0.00 H new ATOM 0 HA TYR A 110 36.216 -8.730 -13.482 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.351 -8.286 -12.552 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.793 -7.869 -11.648 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.572 -6.451 -13.292 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.270 -6.458 -13.511 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.622 -4.231 -14.406 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.325 -4.239 -14.625 1.00 0.00 H new ATOM 0 HH TYR A 110 33.591 -2.585 -15.402 1.00 0.00 H new ATOM 372 N GLY A 111 33.962 -10.749 -12.139 1.00 0.00 N ATOM 373 CA GLY A 111 33.792 -11.995 -11.407 1.00 0.00 C ATOM 374 C GLY A 111 32.537 -11.916 -10.539 1.00 0.00 C ATOM 375 O GLY A 111 31.927 -10.851 -10.437 1.00 0.00 O ATOM 0 H GLY A 111 33.113 -10.188 -12.208 1.00 0.00 H new ATOM 0 HA2 GLY A 111 33.712 -12.829 -12.104 1.00 0.00 H new ATOM 0 HA3 GLY A 111 34.666 -12.184 -10.783 1.00 0.00 H new ATOM 379 N PRO A 112 32.145 -13.040 -9.904 1.00 0.00 N ATOM 380 CA PRO A 112 30.978 -13.098 -9.037 1.00 0.00 C ATOM 381 C PRO A 112 31.273 -12.441 -7.672 1.00 0.00 C ATOM 382 O PRO A 112 30.826 -12.928 -6.633 1.00 0.00 O ATOM 383 CB PRO A 112 30.677 -14.597 -8.891 1.00 0.00 C ATOM 384 CG PRO A 112 31.953 -15.336 -9.315 1.00 0.00 C ATOM 385 CD PRO A 112 32.834 -14.308 -10.030 1.00 0.00 C ATOM 0 HA PRO A 112 30.127 -12.553 -9.446 1.00 0.00 H new ATOM 0 HB2 PRO A 112 30.410 -14.841 -7.863 1.00 0.00 H new ATOM 0 HB3 PRO A 112 29.833 -14.887 -9.517 1.00 0.00 H new ATOM 0 HG2 PRO A 112 32.467 -15.751 -8.448 1.00 0.00 H new ATOM 0 HG3 PRO A 112 31.717 -16.170 -9.975 1.00 0.00 H new ATOM 0 HD2 PRO A 112 33.825 -14.261 -9.578 1.00 0.00 H new ATOM 0 HD3 PRO A 112 32.974 -14.574 -11.078 1.00 0.00 H new ATOM 393 N LYS A 113 32.029 -11.333 -7.681 1.00 0.00 N ATOM 394 CA LYS A 113 32.396 -10.613 -6.471 1.00 0.00 C ATOM 395 C LYS A 113 32.431 -9.120 -6.783 1.00 0.00 C ATOM 396 O LYS A 113 32.302 -8.729 -7.943 1.00 0.00 O ATOM 397 CB LYS A 113 33.770 -11.092 -5.978 1.00 0.00 C ATOM 398 CG LYS A 113 33.719 -12.583 -5.632 1.00 0.00 C ATOM 399 CD LYS A 113 35.023 -12.994 -4.940 1.00 0.00 C ATOM 400 CE LYS A 113 35.069 -14.516 -4.767 1.00 0.00 C ATOM 401 NZ LYS A 113 33.973 -14.992 -3.903 1.00 0.00 N ATOM 0 H LYS A 113 32.400 -10.917 -8.535 1.00 0.00 H new ATOM 0 HA LYS A 113 31.665 -10.802 -5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.522 -10.915 -6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 113 34.070 -10.518 -5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.869 -12.787 -4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.574 -13.172 -6.538 1.00 0.00 H new ATOM 0 HD2 LYS A 113 35.877 -12.661 -5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 113 35.097 -12.507 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 113 35.000 -14.997 -5.743 1.00 0.00 H new ATOM 0 HE3 LYS A 113 36.027 -14.806 -4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 34.109 -16.002 -3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 33.972 -14.452 -3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 33.064 -14.858 -4.390 1.00 0.00 H new ATOM 415 N ARG A 114 32.604 -8.285 -5.748 1.00 0.00 N ATOM 416 CA ARG A 114 32.638 -6.837 -5.922 1.00 0.00 C ATOM 417 C ARG A 114 31.363 -6.394 -6.653 1.00 0.00 C ATOM 418 O ARG A 114 31.411 -5.619 -7.608 1.00 0.00 O ATOM 419 CB ARG A 114 33.921 -6.446 -6.689 1.00 0.00 C ATOM 420 CG ARG A 114 34.767 -5.501 -5.832 1.00 0.00 C ATOM 421 CD ARG A 114 36.066 -5.165 -6.572 1.00 0.00 C ATOM 422 NE ARG A 114 36.925 -4.287 -5.763 1.00 0.00 N ATOM 423 CZ ARG A 114 36.743 -2.956 -5.665 1.00 0.00 C ATOM 424 NH1 ARG A 114 35.727 -2.362 -6.306 1.00 0.00 N ATOM 425 NH2 ARG A 114 37.582 -2.223 -4.923 1.00 0.00 N ATOM 0 H ARG A 114 32.722 -8.594 -4.783 1.00 0.00 H new ATOM 0 HA ARG A 114 32.665 -6.328 -4.959 1.00 0.00 H new ATOM 0 HB2 ARG A 114 34.494 -7.339 -6.937 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.660 -5.963 -7.631 1.00 0.00 H new ATOM 0 HG2 ARG A 114 34.210 -4.588 -5.620 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.992 -5.967 -4.873 1.00 0.00 H new ATOM 0 HD2 ARG A 114 36.601 -6.084 -6.809 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.833 -4.679 -7.519 1.00 0.00 H new ATOM 0 HE ARG A 114 37.699 -4.708 -5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 114 35.086 -2.918 -6.872 1.00 0.00 H new ATOM 0 HH12 ARG A 114 35.594 -1.354 -6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 114 38.356 -2.673 -4.434 1.00 0.00 H new ATOM 0 HH22 ARG A 114 37.447 -1.215 -4.847 1.00 0.00 H new ATOM 439 N TRP A 115 30.215 -6.905 -6.189 1.00 0.00 N ATOM 440 CA TRP A 115 28.923 -6.621 -6.799 1.00 0.00 C ATOM 441 C TRP A 115 28.618 -5.124 -6.793 1.00 0.00 C ATOM 442 O TRP A 115 27.745 -4.680 -7.530 1.00 0.00 O ATOM 443 CB TRP A 115 27.845 -7.423 -6.071 1.00 0.00 C ATOM 444 CG TRP A 115 27.965 -8.897 -6.296 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.504 -9.783 -5.443 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.580 -9.673 -7.468 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.503 -11.048 -5.982 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.940 -11.040 -7.244 1.00 0.00 C ATOM 449 CE3 TRP A 115 26.969 -9.367 -8.705 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.714 -12.037 -8.195 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.737 -10.373 -9.665 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.116 -11.699 -9.414 1.00 0.00 C ATOM 0 H TRP A 115 30.163 -7.525 -5.381 1.00 0.00 H new ATOM 0 HA TRP A 115 28.944 -6.924 -7.846 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.906 -7.217 -5.002 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.863 -7.088 -6.405 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.887 -9.535 -4.464 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.868 -11.878 -5.515 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.676 -8.349 -8.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.998 -13.059 -7.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.263 -10.120 -10.602 1.00 0.00 H new ATOM 0 HH2 TRP A 115 26.946 -12.460 -10.162 1.00 0.00 H new ATOM 463 N SER A 116 29.340 -4.342 -5.983 1.00 0.00 N ATOM 464 CA SER A 116 29.172 -2.900 -5.962 1.00 0.00 C ATOM 465 C SER A 116 29.483 -2.334 -7.352 1.00 0.00 C ATOM 466 O SER A 116 28.819 -1.408 -7.810 1.00 0.00 O ATOM 467 CB SER A 116 30.104 -2.298 -4.909 1.00 0.00 C ATOM 468 OG SER A 116 29.913 -2.961 -3.677 1.00 0.00 O ATOM 0 H SER A 116 30.046 -4.692 -5.335 1.00 0.00 H new ATOM 0 HA SER A 116 28.144 -2.645 -5.704 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.142 -2.394 -5.229 1.00 0.00 H new ATOM 0 HB3 SER A 116 29.903 -1.233 -4.796 1.00 0.00 H new ATOM 0 HG SER A 116 30.511 -2.577 -3.003 1.00 0.00 H new ATOM 474 N VAL A 117 30.496 -2.905 -8.022 1.00 0.00 N ATOM 475 CA VAL A 117 30.894 -2.476 -9.357 1.00 0.00 C ATOM 476 C VAL A 117 29.759 -2.759 -10.338 1.00 0.00 C ATOM 477 O VAL A 117 29.340 -1.874 -11.079 1.00 0.00 O ATOM 478 CB VAL A 117 32.177 -3.224 -9.764 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.561 -2.868 -11.203 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.321 -2.833 -8.823 1.00 0.00 C ATOM 0 H VAL A 117 31.055 -3.673 -7.650 1.00 0.00 H new ATOM 0 HA VAL A 117 31.097 -1.405 -9.367 1.00 0.00 H new ATOM 0 HB VAL A 117 31.996 -4.297 -9.697 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.470 -3.403 -11.480 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.753 -3.153 -11.876 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.734 -1.795 -11.278 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.228 -3.364 -9.113 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.493 -1.759 -8.886 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.057 -3.098 -7.799 1.00 0.00 H new ATOM 490 N ILE A 118 29.262 -3.997 -10.335 1.00 0.00 N ATOM 491 CA ILE A 118 28.179 -4.401 -11.218 1.00 0.00 C ATOM 492 C ILE A 118 26.936 -3.541 -10.945 1.00 0.00 C ATOM 493 O ILE A 118 26.242 -3.147 -11.879 1.00 0.00 O ATOM 494 CB ILE A 118 27.900 -5.900 -11.003 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.090 -6.715 -11.544 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.618 -6.312 -11.741 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.100 -8.117 -10.935 1.00 0.00 C ATOM 0 H ILE A 118 29.600 -4.740 -9.723 1.00 0.00 H new ATOM 0 HA ILE A 118 28.456 -4.248 -12.261 1.00 0.00 H new ATOM 0 HB ILE A 118 27.770 -6.093 -9.938 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.027 -6.784 -12.630 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.024 -6.204 -11.311 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.432 -7.374 -11.581 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.776 -5.734 -11.359 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.735 -6.121 -12.808 1.00 0.00 H new ATOM 0 HD11 ILE A 118 29.947 -8.679 -11.328 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.186 -8.042 -9.851 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.174 -8.631 -11.191 1.00 0.00 H new ATOM 509 N ALA A 119 26.664 -3.251 -9.665 1.00 0.00 N ATOM 510 CA ALA A 119 25.510 -2.450 -9.273 1.00 0.00 C ATOM 511 C ALA A 119 25.617 -1.031 -9.838 1.00 0.00 C ATOM 512 O ALA A 119 24.627 -0.485 -10.317 1.00 0.00 O ATOM 513 CB ALA A 119 25.413 -2.417 -7.747 1.00 0.00 C ATOM 0 H ALA A 119 27.237 -3.565 -8.882 1.00 0.00 H new ATOM 0 HA ALA A 119 24.606 -2.902 -9.681 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.551 -1.819 -7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.298 -3.432 -7.368 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.320 -1.976 -7.334 1.00 0.00 H new ATOM 519 N LYS A 120 26.818 -0.432 -9.785 1.00 0.00 N ATOM 520 CA LYS A 120 27.031 0.918 -10.308 1.00 0.00 C ATOM 521 C LYS A 120 26.609 0.987 -11.775 1.00 0.00 C ATOM 522 O LYS A 120 26.139 2.026 -12.236 1.00 0.00 O ATOM 523 CB LYS A 120 28.510 1.300 -10.180 1.00 0.00 C ATOM 524 CG LYS A 120 28.822 1.750 -8.754 1.00 0.00 C ATOM 525 CD LYS A 120 30.320 2.053 -8.645 1.00 0.00 C ATOM 526 CE LYS A 120 30.736 2.134 -7.177 1.00 0.00 C ATOM 527 NZ LYS A 120 30.028 3.223 -6.477 1.00 0.00 N ATOM 0 H LYS A 120 27.651 -0.864 -9.385 1.00 0.00 H new ATOM 0 HA LYS A 120 26.427 1.617 -9.730 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.136 0.448 -10.445 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.748 2.100 -10.881 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.239 2.636 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.542 0.972 -8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.893 1.276 -9.151 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.546 2.994 -9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.525 1.185 -6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.812 2.295 -7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 30.439 3.352 -5.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 30.125 4.105 -7.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 29.021 2.981 -6.387 1.00 0.00 H new ATOM 541 N HIS A 121 26.786 -0.117 -12.506 1.00 0.00 N ATOM 542 CA HIS A 121 26.452 -0.173 -13.914 1.00 0.00 C ATOM 543 C HIS A 121 24.960 -0.440 -14.054 1.00 0.00 C ATOM 544 O HIS A 121 24.281 0.215 -14.846 1.00 0.00 O ATOM 545 CB HIS A 121 27.291 -1.266 -14.586 1.00 0.00 C ATOM 546 CG HIS A 121 28.754 -1.184 -14.211 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.373 0.007 -13.838 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.743 -2.131 -14.130 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.658 -0.292 -13.562 1.00 0.00 C ATOM 550 NE2 HIS A 121 30.950 -1.582 -13.723 1.00 0.00 N ATOM 0 H HIS A 121 27.163 -0.988 -12.132 1.00 0.00 H new ATOM 0 HA HIS A 121 26.677 0.773 -14.406 1.00 0.00 H new ATOM 0 HB2 HIS A 121 26.901 -2.244 -14.304 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.191 -1.183 -15.668 1.00 0.00 H new ATOM 0 HD1 HIS A 121 28.938 0.928 -13.784 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.599 -3.177 -14.356 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.381 0.443 -13.241 1.00 0.00 H new ATOM 558 N LEU A 122 24.448 -1.398 -13.271 1.00 0.00 N ATOM 559 CA LEU A 122 23.035 -1.721 -13.276 1.00 0.00 C ATOM 560 C LEU A 122 22.300 -0.743 -12.362 1.00 0.00 C ATOM 561 O LEU A 122 21.904 -1.099 -11.251 1.00 0.00 O ATOM 562 CB LEU A 122 22.824 -3.173 -12.817 1.00 0.00 C ATOM 563 CG LEU A 122 22.797 -4.113 -14.027 1.00 0.00 C ATOM 564 CD1 LEU A 122 24.187 -4.200 -14.664 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.360 -5.502 -13.571 1.00 0.00 C ATOM 0 H LEU A 122 25.004 -1.960 -12.626 1.00 0.00 H new ATOM 0 HA LEU A 122 22.635 -1.630 -14.286 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.624 -3.467 -12.137 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.889 -3.255 -12.263 1.00 0.00 H new ATOM 0 HG LEU A 122 22.096 -3.725 -14.765 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.153 -4.871 -15.522 1.00 0.00 H new ATOM 0 HD12 LEU A 122 24.500 -3.208 -14.991 1.00 0.00 H new ATOM 0 HD13 LEU A 122 24.899 -4.582 -13.933 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.339 -6.176 -14.427 1.00 0.00 H new ATOM 0 HD22 LEU A 122 23.064 -5.880 -12.829 1.00 0.00 H new ATOM 0 HD23 LEU A 122 21.365 -5.444 -13.130 1.00 0.00 H new ATOM 577 N LYS A 123 22.124 0.495 -12.841 1.00 0.00 N ATOM 578 CA LYS A 123 21.443 1.536 -12.084 1.00 0.00 C ATOM 579 C LYS A 123 19.970 1.165 -11.915 1.00 0.00 C ATOM 580 O LYS A 123 19.117 1.609 -12.682 1.00 0.00 O ATOM 581 CB LYS A 123 21.595 2.874 -12.815 1.00 0.00 C ATOM 582 CG LYS A 123 23.078 3.269 -12.865 1.00 0.00 C ATOM 583 CD LYS A 123 23.226 4.706 -13.380 1.00 0.00 C ATOM 584 CE LYS A 123 22.796 4.788 -14.850 1.00 0.00 C ATOM 585 NZ LYS A 123 23.119 6.107 -15.423 1.00 0.00 N ATOM 0 H LYS A 123 22.450 0.795 -13.760 1.00 0.00 H new ATOM 0 HA LYS A 123 21.887 1.630 -11.093 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.195 2.795 -13.826 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.020 3.646 -12.304 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.518 3.184 -11.872 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.623 2.584 -13.515 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.618 5.381 -12.777 1.00 0.00 H new ATOM 0 HD3 LYS A 123 24.261 5.032 -13.277 1.00 0.00 H new ATOM 0 HE2 LYS A 123 23.296 4.007 -15.423 1.00 0.00 H new ATOM 0 HE3 LYS A 123 21.724 4.606 -14.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 22.818 6.136 -16.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 22.622 6.849 -14.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 24.145 6.268 -15.367 1.00 0.00 H new ATOM 599 N GLY A 124 19.686 0.342 -10.904 1.00 0.00 N ATOM 600 CA GLY A 124 18.340 -0.119 -10.622 1.00 0.00 C ATOM 601 C GLY A 124 18.381 -1.187 -9.531 1.00 0.00 C ATOM 602 O GLY A 124 17.485 -1.248 -8.691 1.00 0.00 O ATOM 0 H GLY A 124 20.390 -0.020 -10.261 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.718 0.717 -10.303 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.887 -0.526 -11.526 1.00 0.00 H new ATOM 606 N ARG A 125 19.431 -2.026 -9.547 1.00 0.00 N ATOM 607 CA ARG A 125 19.604 -3.080 -8.556 1.00 0.00 C ATOM 608 C ARG A 125 20.782 -2.740 -7.647 1.00 0.00 C ATOM 609 O ARG A 125 21.819 -2.276 -8.118 1.00 0.00 O ATOM 610 CB ARG A 125 19.853 -4.422 -9.261 1.00 0.00 C ATOM 611 CG ARG A 125 18.636 -4.839 -10.100 1.00 0.00 C ATOM 612 CD ARG A 125 17.375 -4.904 -9.224 1.00 0.00 C ATOM 613 NE ARG A 125 16.526 -6.066 -9.546 1.00 0.00 N ATOM 614 CZ ARG A 125 15.897 -6.239 -10.724 1.00 0.00 C ATOM 615 NH1 ARG A 125 16.436 -5.790 -11.857 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.721 -6.876 -10.759 1.00 0.00 N ATOM 0 H ARG A 125 20.174 -1.986 -10.245 1.00 0.00 H new ATOM 0 HA ARG A 125 18.700 -3.161 -7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.731 -4.342 -9.902 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.069 -5.191 -8.520 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.486 -4.127 -10.912 1.00 0.00 H new ATOM 0 HG3 ARG A 125 18.818 -5.811 -10.558 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.667 -4.950 -8.175 1.00 0.00 H new ATOM 0 HD3 ARG A 125 16.798 -3.989 -9.354 1.00 0.00 H new ATOM 0 HE ARG A 125 16.408 -6.784 -8.831 1.00 0.00 H new ATOM 0 HH11 ARG A 125 17.335 -5.309 -11.838 1.00 0.00 H new ATOM 0 HH12 ARG A 125 15.949 -5.927 -12.743 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.306 -7.228 -9.896 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.240 -7.010 -11.648 1.00 0.00 H new ATOM 630 N ILE A 126 20.617 -2.978 -6.341 1.00 0.00 N ATOM 631 CA ILE A 126 21.666 -2.712 -5.365 1.00 0.00 C ATOM 632 C ILE A 126 22.713 -3.829 -5.415 1.00 0.00 C ATOM 633 O ILE A 126 22.580 -4.776 -6.195 1.00 0.00 O ATOM 634 CB ILE A 126 21.046 -2.598 -3.959 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.292 -3.894 -3.603 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.081 -1.407 -3.922 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.992 -3.929 -2.103 1.00 0.00 C ATOM 0 H ILE A 126 19.759 -3.357 -5.939 1.00 0.00 H new ATOM 0 HA ILE A 126 22.160 -1.769 -5.601 1.00 0.00 H new ATOM 0 HB ILE A 126 21.841 -2.445 -3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.363 -3.951 -4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.890 -4.761 -3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 126 19.642 -1.325 -2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 126 20.624 -0.491 -4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.290 -1.557 -4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.459 -4.848 -1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.927 -3.893 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.376 -3.071 -1.835 1.00 0.00 H new ATOM 649 N GLY A 127 23.753 -3.718 -4.574 1.00 0.00 N ATOM 650 CA GLY A 127 24.815 -4.713 -4.512 1.00 0.00 C ATOM 651 C GLY A 127 24.350 -5.938 -3.725 1.00 0.00 C ATOM 652 O GLY A 127 24.958 -6.301 -2.721 1.00 0.00 O ATOM 0 H GLY A 127 23.874 -2.940 -3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.105 -5.009 -5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.698 -4.283 -4.040 1.00 0.00 H new ATOM 656 N LYS A 128 23.269 -6.572 -4.191 1.00 0.00 N ATOM 657 CA LYS A 128 22.717 -7.756 -3.555 1.00 0.00 C ATOM 658 C LYS A 128 21.786 -8.457 -4.537 1.00 0.00 C ATOM 659 O LYS A 128 21.917 -9.651 -4.764 1.00 0.00 O ATOM 660 CB LYS A 128 21.966 -7.367 -2.271 1.00 0.00 C ATOM 661 CG LYS A 128 22.542 -8.147 -1.084 1.00 0.00 C ATOM 662 CD LYS A 128 21.681 -7.907 0.164 1.00 0.00 C ATOM 663 CE LYS A 128 20.850 -9.156 0.485 1.00 0.00 C ATOM 664 NZ LYS A 128 19.957 -9.515 -0.632 1.00 0.00 N ATOM 0 H LYS A 128 22.757 -6.273 -5.021 1.00 0.00 H new ATOM 0 HA LYS A 128 23.522 -8.437 -3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 128 22.058 -6.295 -2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.903 -7.582 -2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 128 22.572 -9.211 -1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 128 23.568 -7.833 -0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 128 22.319 -7.658 1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 128 21.021 -7.055 0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 128 21.516 -9.991 0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 128 20.258 -8.979 1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 19.200 -10.137 -0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 19.539 -8.652 -1.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 20.502 -10.010 -1.367 1.00 0.00 H new ATOM 678 N GLN A 129 20.849 -7.703 -5.128 1.00 0.00 N ATOM 679 CA GLN A 129 19.919 -8.250 -6.108 1.00 0.00 C ATOM 680 C GLN A 129 20.702 -8.930 -7.230 1.00 0.00 C ATOM 681 O GLN A 129 20.355 -10.028 -7.657 1.00 0.00 O ATOM 682 CB GLN A 129 19.043 -7.117 -6.666 1.00 0.00 C ATOM 683 CG GLN A 129 17.633 -7.206 -6.078 1.00 0.00 C ATOM 684 CD GLN A 129 16.857 -8.361 -6.705 1.00 0.00 C ATOM 685 OE1 GLN A 129 16.393 -8.257 -7.838 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.717 -9.460 -5.970 1.00 0.00 N ATOM 0 H GLN A 129 20.720 -6.709 -4.939 1.00 0.00 H new ATOM 0 HA GLN A 129 19.274 -8.991 -5.636 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.486 -6.151 -6.424 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.997 -7.184 -7.753 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.692 -7.345 -4.999 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.102 -6.270 -6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 129 17.119 -9.502 -5.034 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.207 -10.261 -6.343 1.00 0.00 H new ATOM 695 N CYS A 130 21.764 -8.265 -7.695 1.00 0.00 N ATOM 696 CA CYS A 130 22.624 -8.797 -8.745 1.00 0.00 C ATOM 697 C CYS A 130 23.237 -10.121 -8.289 1.00 0.00 C ATOM 698 O CYS A 130 23.218 -11.104 -9.029 1.00 0.00 O ATOM 699 CB CYS A 130 23.729 -7.782 -9.066 1.00 0.00 C ATOM 700 SG CYS A 130 22.979 -6.237 -9.642 1.00 0.00 S ATOM 0 H CYS A 130 22.047 -7.347 -7.353 1.00 0.00 H new ATOM 0 HA CYS A 130 22.034 -8.975 -9.644 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.336 -7.596 -8.180 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.395 -8.183 -9.830 1.00 0.00 H new ATOM 0 HG CYS A 130 23.914 -5.375 -9.912 1.00 0.00 H new ATOM 706 N ARG A 131 23.782 -10.142 -7.064 1.00 0.00 N ATOM 707 CA ARG A 131 24.394 -11.337 -6.510 1.00 0.00 C ATOM 708 C ARG A 131 23.374 -12.476 -6.471 1.00 0.00 C ATOM 709 O ARG A 131 23.653 -13.565 -6.955 1.00 0.00 O ATOM 710 CB ARG A 131 24.938 -11.023 -5.106 1.00 0.00 C ATOM 711 CG ARG A 131 25.766 -12.203 -4.579 1.00 0.00 C ATOM 712 CD ARG A 131 24.894 -13.095 -3.692 1.00 0.00 C ATOM 713 NE ARG A 131 25.588 -14.336 -3.342 1.00 0.00 N ATOM 714 CZ ARG A 131 24.984 -15.352 -2.703 1.00 0.00 C ATOM 715 NH1 ARG A 131 23.700 -15.245 -2.331 1.00 0.00 N ATOM 716 NH2 ARG A 131 25.666 -16.473 -2.436 1.00 0.00 N ATOM 0 H ARG A 131 23.806 -9.334 -6.442 1.00 0.00 H new ATOM 0 HA ARG A 131 25.225 -11.656 -7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.554 -10.124 -5.140 1.00 0.00 H new ATOM 0 HB3 ARG A 131 24.111 -10.818 -4.426 1.00 0.00 H new ATOM 0 HG2 ARG A 131 26.163 -12.781 -5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.620 -11.834 -4.011 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.626 -12.557 -2.783 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.964 -13.329 -4.210 1.00 0.00 H new ATOM 0 HE ARG A 131 26.572 -14.433 -3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 131 23.180 -14.391 -2.533 1.00 0.00 H new ATOM 0 HH12 ARG A 131 23.243 -16.018 -1.846 1.00 0.00 H new ATOM 0 HH21 ARG A 131 26.643 -16.555 -2.718 1.00 0.00 H new ATOM 0 HH22 ARG A 131 25.209 -17.245 -1.951 1.00 0.00 H new ATOM 730 N GLU A 132 22.194 -12.220 -5.893 1.00 0.00 N ATOM 731 CA GLU A 132 21.145 -13.226 -5.793 1.00 0.00 C ATOM 732 C GLU A 132 20.807 -13.764 -7.179 1.00 0.00 C ATOM 733 O GLU A 132 20.865 -14.970 -7.392 1.00 0.00 O ATOM 734 CB GLU A 132 19.902 -12.614 -5.126 1.00 0.00 C ATOM 735 CG GLU A 132 19.868 -12.974 -3.634 1.00 0.00 C ATOM 736 CD GLU A 132 21.041 -12.356 -2.880 1.00 0.00 C ATOM 737 OE1 GLU A 132 20.912 -11.171 -2.498 1.00 0.00 O ATOM 738 OE2 GLU A 132 22.043 -13.082 -2.693 1.00 0.00 O ATOM 0 H GLU A 132 21.947 -11.317 -5.487 1.00 0.00 H new ATOM 0 HA GLU A 132 21.495 -14.056 -5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.913 -11.531 -5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.000 -12.980 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.931 -12.628 -3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 132 19.892 -14.058 -3.520 1.00 0.00 H new ATOM 745 N ARG A 133 20.461 -12.871 -8.120 1.00 0.00 N ATOM 746 CA ARG A 133 20.128 -13.271 -9.485 1.00 0.00 C ATOM 747 C ARG A 133 21.128 -14.311 -9.972 1.00 0.00 C ATOM 748 O ARG A 133 20.741 -15.356 -10.499 1.00 0.00 O ATOM 749 CB ARG A 133 20.159 -12.033 -10.401 1.00 0.00 C ATOM 750 CG ARG A 133 19.699 -12.391 -11.824 1.00 0.00 C ATOM 751 CD ARG A 133 18.201 -12.702 -11.840 1.00 0.00 C ATOM 752 NE ARG A 133 17.714 -12.826 -13.222 1.00 0.00 N ATOM 753 CZ ARG A 133 16.508 -13.331 -13.541 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.759 -13.925 -12.610 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.055 -13.237 -14.794 1.00 0.00 N ATOM 0 H ARG A 133 20.406 -11.866 -7.954 1.00 0.00 H new ATOM 0 HA ARG A 133 19.129 -13.707 -9.507 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.514 -11.256 -9.991 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.169 -11.625 -10.433 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.912 -11.563 -12.500 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.259 -13.252 -12.188 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.010 -13.628 -11.297 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.654 -11.912 -11.325 1.00 0.00 H new ATOM 0 HE ARG A 133 18.322 -12.513 -13.979 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.100 -13.998 -11.651 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.846 -14.306 -12.857 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.623 -12.783 -15.509 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.141 -13.620 -15.036 1.00 0.00 H new ATOM 769 N TRP A 134 22.417 -14.012 -9.792 1.00 0.00 N ATOM 770 CA TRP A 134 23.481 -14.879 -10.241 1.00 0.00 C ATOM 771 C TRP A 134 23.500 -16.200 -9.467 1.00 0.00 C ATOM 772 O TRP A 134 23.489 -17.267 -10.074 1.00 0.00 O ATOM 773 CB TRP A 134 24.816 -14.147 -10.106 1.00 0.00 C ATOM 774 CG TRP A 134 25.862 -14.674 -11.021 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.968 -15.342 -10.660 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.897 -14.615 -12.470 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.690 -15.720 -11.765 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.065 -15.298 -12.924 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.054 -14.059 -13.457 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.367 -15.435 -14.279 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.351 -14.195 -14.814 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.497 -14.893 -15.230 1.00 0.00 C ATOM 0 H TRP A 134 22.740 -13.161 -9.331 1.00 0.00 H new ATOM 0 HA TRP A 134 23.309 -15.130 -11.288 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.665 -13.087 -10.308 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.166 -14.228 -9.077 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.252 -15.554 -9.640 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.567 -16.240 -11.735 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.167 -13.521 -13.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.262 -15.953 -14.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.693 -13.759 -15.552 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.706 -15.011 -16.283 1.00 0.00 H new ATOM 793 N HIS A 135 23.540 -16.131 -8.132 1.00 0.00 N ATOM 794 CA HIS A 135 23.633 -17.323 -7.292 1.00 0.00 C ATOM 795 C HIS A 135 22.266 -18.011 -7.119 1.00 0.00 C ATOM 796 O HIS A 135 22.013 -18.618 -6.079 1.00 0.00 O ATOM 797 CB HIS A 135 24.220 -16.923 -5.932 1.00 0.00 C ATOM 798 CG HIS A 135 25.686 -16.580 -6.014 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.684 -17.453 -5.596 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.358 -15.470 -6.463 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.861 -16.831 -5.809 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.731 -15.613 -6.337 1.00 0.00 N ATOM 0 H HIS A 135 23.509 -15.255 -7.610 1.00 0.00 H new ATOM 0 HA HIS A 135 24.287 -18.047 -7.779 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.671 -16.066 -5.541 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.081 -17.741 -5.225 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.875 -14.592 -6.866 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.817 -17.276 -5.575 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.463 -14.949 -6.587 1.00 0.00 H new ATOM 810 N ASN A 136 21.396 -17.934 -8.137 1.00 0.00 N ATOM 811 CA ASN A 136 20.098 -18.607 -8.109 1.00 0.00 C ATOM 812 C ASN A 136 19.915 -19.407 -9.388 1.00 0.00 C ATOM 813 O ASN A 136 20.210 -20.599 -9.431 1.00 0.00 O ATOM 814 CB ASN A 136 18.963 -17.581 -7.969 1.00 0.00 C ATOM 815 CG ASN A 136 18.626 -17.334 -6.514 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.571 -17.742 -6.039 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.519 -16.667 -5.808 1.00 0.00 N ATOM 0 H ASN A 136 21.574 -17.408 -8.993 1.00 0.00 H new ATOM 0 HA ASN A 136 20.066 -19.278 -7.251 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.256 -16.644 -8.442 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.078 -17.940 -8.494 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.346 -16.470 -4.822 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.382 -16.348 -6.248 1.00 0.00 H new ATOM 824 N HIS A 137 19.412 -18.736 -10.421 1.00 0.00 N ATOM 825 CA HIS A 137 19.122 -19.370 -11.710 1.00 0.00 C ATOM 826 C HIS A 137 20.256 -19.131 -12.709 1.00 0.00 C ATOM 827 O HIS A 137 20.529 -19.990 -13.545 1.00 0.00 O ATOM 828 CB HIS A 137 17.789 -18.837 -12.272 1.00 0.00 C ATOM 829 CG HIS A 137 17.210 -17.697 -11.473 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.185 -17.871 -10.549 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.495 -16.358 -11.436 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.923 -16.656 -10.027 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.690 -15.686 -10.527 1.00 0.00 N ATOM 0 H HIS A 137 19.193 -17.740 -10.391 1.00 0.00 H new ATOM 0 HA HIS A 137 19.036 -20.445 -11.551 1.00 0.00 H new ATOM 0 HB2 HIS A 137 17.943 -18.508 -13.300 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.066 -19.652 -12.303 1.00 0.00 H new ATOM 0 HD1 HIS A 137 15.721 -18.748 -10.312 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.254 -15.883 -12.040 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.165 -16.485 -9.277 1.00 0.00 H new ATOM 841 N LEU A 138 20.908 -17.965 -12.633 1.00 0.00 N ATOM 842 CA LEU A 138 21.990 -17.623 -13.551 1.00 0.00 C ATOM 843 C LEU A 138 23.267 -18.401 -13.174 1.00 0.00 C ATOM 844 O LEU A 138 23.195 -19.401 -12.466 1.00 0.00 O ATOM 845 CB LEU A 138 22.210 -16.093 -13.511 1.00 0.00 C ATOM 846 CG LEU A 138 21.705 -15.407 -14.796 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.501 -15.879 -16.016 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.219 -15.695 -15.009 1.00 0.00 C ATOM 0 H LEU A 138 20.701 -17.244 -11.942 1.00 0.00 H new ATOM 0 HA LEU A 138 21.730 -17.907 -14.571 1.00 0.00 H new ATOM 0 HB2 LEU A 138 21.692 -15.674 -12.648 1.00 0.00 H new ATOM 0 HB3 LEU A 138 23.271 -15.882 -13.380 1.00 0.00 H new ATOM 0 HG LEU A 138 21.847 -14.333 -14.679 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.126 -15.381 -16.910 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.555 -15.635 -15.880 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.390 -16.958 -16.128 1.00 0.00 H new ATOM 0 HD21 LEU A 138 19.880 -15.203 -15.921 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.066 -16.770 -15.099 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.650 -15.317 -14.160 1.00 0.00 H new