USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=12 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 113 LYS NZ :NH3+ 180:sc= 1.31 (180deg=-0.00241) USER MOD Set 1.2: A 135 HIS : no HE2:sc= 1.02 K(o=2.3,f=-6.6!) USER MOD Set 2.1: A 110 TYR OH : rot -157:sc= 0.918 USER MOD Set 2.2: A 121 HIS : no HE2:sc= 0.271 K(o=1.2,f=-1.3) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.432 USER MOD Single : A 97 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.16) USER MOD Single : A 101 GLN : amide:sc= 0.327 X(o=0.33,f=-0.16) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -151:sc= -0.114 (180deg=-2.41!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 154:sc= 1.27 (180deg=0.344) USER MOD Single : A 123 LYS NZ :NH3+ 141:sc= 1.01 (180deg=0.701) USER MOD Single : A 128 LYS NZ :NH3+ 165:sc= 1.23 (180deg=1.15) USER MOD Single : A 129 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.53) USER MOD Single : A 130 CYS SG : rot 100:sc= 0.017 USER MOD Single : A 136 ASN : amide:sc= -2.03! K(o=-2!,f=-0.77) USER MOD Single : A 137 HIS : no HE2:sc= -0.26 K(o=-0.26,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.159 -9.852 -13.334 1.00 0.00 N ATOM 85 CA TRP A 95 14.338 -9.492 -14.127 1.00 0.00 C ATOM 86 C TRP A 95 14.039 -9.659 -15.626 1.00 0.00 C ATOM 87 O TRP A 95 12.948 -10.093 -16.001 1.00 0.00 O ATOM 88 CB TRP A 95 15.547 -10.337 -13.689 1.00 0.00 C ATOM 89 CG TRP A 95 16.346 -9.747 -12.570 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.903 -9.525 -11.321 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.732 -9.294 -12.573 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.885 -8.965 -10.541 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.047 -8.791 -11.268 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.760 -9.251 -13.540 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.302 -8.265 -10.949 1.00 0.00 C ATOM 96 CZ3 TRP A 95 20.027 -8.720 -13.225 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.293 -8.215 -11.936 1.00 0.00 C ATOM 0 HA TRP A 95 14.585 -8.445 -13.954 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.194 -11.323 -13.386 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.202 -10.483 -14.548 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.906 -9.756 -10.976 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.772 -8.712 -9.559 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.573 -9.630 -14.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.505 -7.901 -9.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.801 -8.700 -13.978 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.260 -7.790 -11.710 1.00 0.00 H new ATOM 108 N THR A 96 15.008 -9.299 -16.485 1.00 0.00 N ATOM 109 CA THR A 96 14.836 -9.392 -17.933 1.00 0.00 C ATOM 110 C THR A 96 16.075 -10.029 -18.562 1.00 0.00 C ATOM 111 O THR A 96 17.147 -10.029 -17.964 1.00 0.00 O ATOM 112 CB THR A 96 14.585 -7.992 -18.528 1.00 0.00 C ATOM 113 OG1 THR A 96 15.817 -7.338 -18.753 1.00 0.00 O ATOM 114 CG2 THR A 96 13.731 -7.148 -17.575 1.00 0.00 C ATOM 0 H THR A 96 15.918 -8.941 -16.194 1.00 0.00 H new ATOM 0 HA THR A 96 13.971 -10.019 -18.152 1.00 0.00 H new ATOM 0 HB THR A 96 14.053 -8.109 -19.472 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.651 -6.450 -19.133 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.564 -6.163 -18.011 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.772 -7.640 -17.413 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.249 -7.039 -16.622 1.00 0.00 H new ATOM 122 N LYS A 97 15.917 -10.568 -19.778 1.00 0.00 N ATOM 123 CA LYS A 97 17.011 -11.205 -20.502 1.00 0.00 C ATOM 124 C LYS A 97 18.183 -10.234 -20.656 1.00 0.00 C ATOM 125 O LYS A 97 19.335 -10.621 -20.496 1.00 0.00 O ATOM 126 CB LYS A 97 16.499 -11.653 -21.883 1.00 0.00 C ATOM 127 CG LYS A 97 17.609 -12.387 -22.662 1.00 0.00 C ATOM 128 CD LYS A 97 17.867 -11.700 -24.018 1.00 0.00 C ATOM 129 CE LYS A 97 18.539 -10.336 -23.805 1.00 0.00 C ATOM 130 NZ LYS A 97 19.038 -9.772 -25.071 1.00 0.00 N ATOM 0 H LYS A 97 15.029 -10.572 -20.281 1.00 0.00 H new ATOM 0 HA LYS A 97 17.363 -12.073 -19.945 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.637 -12.310 -21.762 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.162 -10.786 -22.451 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.527 -12.398 -22.074 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.321 -13.426 -22.824 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.501 -12.333 -24.639 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.926 -11.570 -24.552 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.826 -9.645 -23.355 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.366 -10.443 -23.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.545 -8.884 -24.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.685 -10.450 -25.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.237 -9.583 -25.707 1.00 0.00 H new ATOM 144 N GLU A 98 17.880 -8.976 -20.985 1.00 0.00 N ATOM 145 CA GLU A 98 18.903 -7.971 -21.226 1.00 0.00 C ATOM 146 C GLU A 98 19.571 -7.572 -19.913 1.00 0.00 C ATOM 147 O GLU A 98 20.789 -7.395 -19.863 1.00 0.00 O ATOM 148 CB GLU A 98 18.261 -6.763 -21.924 1.00 0.00 C ATOM 149 CG GLU A 98 19.343 -5.804 -22.435 1.00 0.00 C ATOM 150 CD GLU A 98 20.348 -6.520 -23.338 1.00 0.00 C ATOM 151 OE1 GLU A 98 19.887 -7.308 -24.198 1.00 0.00 O ATOM 152 OE2 GLU A 98 21.561 -6.268 -23.148 1.00 0.00 O ATOM 0 H GLU A 98 16.925 -8.633 -21.090 1.00 0.00 H new ATOM 0 HA GLU A 98 19.679 -8.376 -21.875 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.644 -7.101 -22.756 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.602 -6.241 -21.230 1.00 0.00 H new ATOM 0 HG2 GLU A 98 18.876 -4.987 -22.985 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.866 -5.360 -21.588 1.00 0.00 H new ATOM 159 N GLU A 99 18.778 -7.441 -18.848 1.00 0.00 N ATOM 160 CA GLU A 99 19.306 -7.108 -17.539 1.00 0.00 C ATOM 161 C GLU A 99 20.283 -8.203 -17.110 1.00 0.00 C ATOM 162 O GLU A 99 21.390 -7.917 -16.655 1.00 0.00 O ATOM 163 CB GLU A 99 18.143 -6.985 -16.554 1.00 0.00 C ATOM 164 CG GLU A 99 18.592 -6.233 -15.305 1.00 0.00 C ATOM 165 CD GLU A 99 17.546 -6.341 -14.207 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.359 -6.528 -14.558 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.949 -6.235 -13.034 1.00 0.00 O ATOM 0 H GLU A 99 17.766 -7.562 -18.875 1.00 0.00 H new ATOM 0 HA GLU A 99 19.839 -6.158 -17.563 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.311 -6.460 -17.025 1.00 0.00 H new ATOM 0 HB3 GLU A 99 17.781 -7.976 -16.281 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.540 -6.638 -14.952 1.00 0.00 H new ATOM 0 HG3 GLU A 99 18.764 -5.185 -15.548 1.00 0.00 H new ATOM 174 N ASP A 100 19.864 -9.463 -17.276 1.00 0.00 N ATOM 175 CA ASP A 100 20.688 -10.613 -16.950 1.00 0.00 C ATOM 176 C ASP A 100 21.942 -10.617 -17.819 1.00 0.00 C ATOM 177 O ASP A 100 23.041 -10.835 -17.316 1.00 0.00 O ATOM 178 CB ASP A 100 19.874 -11.891 -17.174 1.00 0.00 C ATOM 179 CG ASP A 100 19.083 -12.250 -15.933 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.719 -12.694 -14.956 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.850 -12.077 -15.980 1.00 0.00 O ATOM 0 H ASP A 100 18.943 -9.705 -17.641 1.00 0.00 H new ATOM 0 HA ASP A 100 20.996 -10.563 -15.906 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.195 -11.752 -18.016 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.542 -12.712 -17.435 1.00 0.00 H new ATOM 186 N GLN A 101 21.774 -10.372 -19.127 1.00 0.00 N ATOM 187 CA GLN A 101 22.892 -10.343 -20.060 1.00 0.00 C ATOM 188 C GLN A 101 23.958 -9.370 -19.558 1.00 0.00 C ATOM 189 O GLN A 101 25.153 -9.630 -19.707 1.00 0.00 O ATOM 190 CB GLN A 101 22.384 -9.939 -21.453 1.00 0.00 C ATOM 191 CG GLN A 101 23.538 -9.921 -22.466 1.00 0.00 C ATOM 192 CD GLN A 101 24.181 -11.299 -22.603 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.713 -12.129 -23.377 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.257 -11.539 -21.852 1.00 0.00 N ATOM 0 H GLN A 101 20.867 -10.191 -19.557 1.00 0.00 H new ATOM 0 HA GLN A 101 23.343 -11.333 -20.131 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.615 -10.638 -21.782 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.920 -8.954 -21.405 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.167 -9.593 -23.437 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.289 -9.197 -22.151 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.611 -10.819 -21.223 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.726 -12.443 -21.907 1.00 0.00 H new ATOM 203 N ARG A 102 23.528 -8.254 -18.957 1.00 0.00 N ATOM 204 CA ARG A 102 24.452 -7.274 -18.422 1.00 0.00 C ATOM 205 C ARG A 102 25.304 -7.919 -17.330 1.00 0.00 C ATOM 206 O ARG A 102 26.524 -7.838 -17.379 1.00 0.00 O ATOM 207 CB ARG A 102 23.675 -6.071 -17.872 1.00 0.00 C ATOM 208 CG ARG A 102 24.593 -4.841 -17.809 1.00 0.00 C ATOM 209 CD ARG A 102 24.394 -3.959 -19.049 1.00 0.00 C ATOM 210 NE ARG A 102 24.691 -4.702 -20.291 1.00 0.00 N ATOM 211 CZ ARG A 102 23.749 -5.163 -21.147 1.00 0.00 C ATOM 212 NH1 ARG A 102 22.452 -4.900 -20.959 1.00 0.00 N ATOM 213 NH2 ARG A 102 24.111 -5.896 -22.203 1.00 0.00 N ATOM 0 H ARG A 102 22.544 -8.016 -18.834 1.00 0.00 H new ATOM 0 HA ARG A 102 25.112 -6.920 -19.214 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.815 -5.861 -18.507 1.00 0.00 H new ATOM 0 HB3 ARG A 102 23.289 -6.299 -16.878 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.379 -4.266 -16.908 1.00 0.00 H new ATOM 0 HG3 ARG A 102 25.634 -5.159 -17.745 1.00 0.00 H new ATOM 0 HD2 ARG A 102 23.367 -3.595 -19.078 1.00 0.00 H new ATOM 0 HD3 ARG A 102 25.041 -3.084 -18.983 1.00 0.00 H new ATOM 0 HE ARG A 102 25.669 -4.879 -20.518 1.00 0.00 H new ATOM 0 HH11 ARG A 102 22.156 -4.342 -20.158 1.00 0.00 H new ATOM 0 HH12 ARG A 102 21.759 -5.257 -21.616 1.00 0.00 H new ATOM 0 HH21 ARG A 102 25.096 -6.108 -22.363 1.00 0.00 H new ATOM 0 HH22 ARG A 102 23.403 -6.244 -22.849 1.00 0.00 H new ATOM 227 N VAL A 103 24.663 -8.565 -16.344 1.00 0.00 N ATOM 228 CA VAL A 103 25.388 -9.216 -15.256 1.00 0.00 C ATOM 229 C VAL A 103 26.356 -10.246 -15.831 1.00 0.00 C ATOM 230 O VAL A 103 27.522 -10.265 -15.459 1.00 0.00 O ATOM 231 CB VAL A 103 24.404 -9.884 -14.282 1.00 0.00 C ATOM 232 CG1 VAL A 103 25.183 -10.599 -13.173 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.504 -8.827 -13.650 1.00 0.00 C ATOM 0 H VAL A 103 23.648 -8.647 -16.283 1.00 0.00 H new ATOM 0 HA VAL A 103 25.955 -8.466 -14.705 1.00 0.00 H new ATOM 0 HB VAL A 103 23.796 -10.603 -14.831 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.483 -11.072 -12.484 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.828 -11.359 -13.614 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.792 -9.875 -12.632 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.809 -9.306 -12.961 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.115 -8.106 -13.107 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.944 -8.312 -14.431 1.00 0.00 H new ATOM 243 N ILE A 104 25.868 -11.099 -16.740 1.00 0.00 N ATOM 244 CA ILE A 104 26.693 -12.125 -17.365 1.00 0.00 C ATOM 245 C ILE A 104 27.971 -11.494 -17.929 1.00 0.00 C ATOM 246 O ILE A 104 29.074 -11.948 -17.628 1.00 0.00 O ATOM 247 CB ILE A 104 25.884 -12.819 -18.480 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.775 -13.691 -17.873 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.814 -13.691 -19.338 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.883 -14.255 -18.983 1.00 0.00 C ATOM 0 H ILE A 104 24.898 -11.093 -17.057 1.00 0.00 H new ATOM 0 HA ILE A 104 26.981 -12.871 -16.624 1.00 0.00 H new ATOM 0 HB ILE A 104 25.428 -12.052 -19.106 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.216 -14.507 -17.300 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.176 -13.101 -17.179 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.235 -14.177 -20.123 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.584 -13.066 -19.790 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.283 -14.449 -18.711 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.100 -14.872 -18.542 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.429 -13.434 -19.538 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.484 -14.861 -19.660 1.00 0.00 H new ATOM 262 N GLU A 105 27.811 -10.452 -18.748 1.00 0.00 N ATOM 263 CA GLU A 105 28.933 -9.775 -19.381 1.00 0.00 C ATOM 264 C GLU A 105 29.872 -9.175 -18.325 1.00 0.00 C ATOM 265 O GLU A 105 31.079 -9.399 -18.369 1.00 0.00 O ATOM 266 CB GLU A 105 28.377 -8.688 -20.317 1.00 0.00 C ATOM 267 CG GLU A 105 29.477 -8.160 -21.249 1.00 0.00 C ATOM 268 CD GLU A 105 30.404 -7.183 -20.533 1.00 0.00 C ATOM 269 OE1 GLU A 105 29.878 -6.332 -19.783 1.00 0.00 O ATOM 270 OE2 GLU A 105 31.628 -7.298 -20.746 1.00 0.00 O ATOM 0 H GLU A 105 26.901 -10.059 -18.987 1.00 0.00 H new ATOM 0 HA GLU A 105 29.520 -10.487 -19.961 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.557 -9.095 -20.908 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.968 -7.867 -19.727 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.059 -8.997 -21.635 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.021 -7.666 -22.107 1.00 0.00 H new ATOM 277 N LEU A 106 29.314 -8.407 -17.385 1.00 0.00 N ATOM 278 CA LEU A 106 30.099 -7.735 -16.354 1.00 0.00 C ATOM 279 C LEU A 106 30.859 -8.743 -15.483 1.00 0.00 C ATOM 280 O LEU A 106 31.967 -8.451 -15.034 1.00 0.00 O ATOM 281 CB LEU A 106 29.168 -6.879 -15.486 1.00 0.00 C ATOM 282 CG LEU A 106 28.562 -5.729 -16.311 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.442 -5.068 -15.503 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.637 -4.690 -16.639 1.00 0.00 C ATOM 0 H LEU A 106 28.311 -8.236 -17.320 1.00 0.00 H new ATOM 0 HA LEU A 106 30.838 -7.098 -16.840 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.371 -7.500 -15.077 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.722 -6.474 -14.639 1.00 0.00 H new ATOM 0 HG LEU A 106 28.162 -6.128 -17.243 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.008 -4.252 -16.082 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.670 -5.805 -15.280 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.849 -4.675 -14.571 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.196 -3.882 -17.223 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.048 -4.287 -15.713 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.434 -5.160 -17.215 1.00 0.00 H new ATOM 296 N VAL A 107 30.271 -9.922 -15.239 1.00 0.00 N ATOM 297 CA VAL A 107 30.900 -10.937 -14.404 1.00 0.00 C ATOM 298 C VAL A 107 32.019 -11.606 -15.190 1.00 0.00 C ATOM 299 O VAL A 107 33.116 -11.787 -14.673 1.00 0.00 O ATOM 300 CB VAL A 107 29.847 -11.961 -13.944 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.540 -13.197 -13.359 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.958 -11.332 -12.866 1.00 0.00 C ATOM 0 H VAL A 107 29.360 -10.190 -15.611 1.00 0.00 H new ATOM 0 HA VAL A 107 31.329 -10.477 -13.514 1.00 0.00 H new ATOM 0 HB VAL A 107 29.241 -12.255 -14.801 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.788 -13.917 -13.036 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.175 -13.652 -14.119 1.00 0.00 H new ATOM 0 HG13 VAL A 107 31.150 -12.902 -12.505 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.212 -12.057 -12.540 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.572 -11.036 -12.015 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.456 -10.455 -13.274 1.00 0.00 H new ATOM 312 N GLN A 108 31.742 -11.965 -16.445 1.00 0.00 N ATOM 313 CA GLN A 108 32.735 -12.584 -17.303 1.00 0.00 C ATOM 314 C GLN A 108 33.920 -11.633 -17.487 1.00 0.00 C ATOM 315 O GLN A 108 35.063 -12.075 -17.590 1.00 0.00 O ATOM 316 CB GLN A 108 32.087 -12.925 -18.649 1.00 0.00 C ATOM 317 CG GLN A 108 33.068 -13.718 -19.518 1.00 0.00 C ATOM 318 CD GLN A 108 32.392 -14.194 -20.798 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.630 -13.644 -21.870 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.548 -15.218 -20.685 1.00 0.00 N ATOM 0 H GLN A 108 30.831 -11.834 -16.885 1.00 0.00 H new ATOM 0 HA GLN A 108 33.106 -13.503 -16.849 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.179 -13.507 -18.488 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.792 -12.010 -19.162 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.928 -13.095 -19.765 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.445 -14.575 -18.960 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.382 -15.643 -19.773 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.068 -15.577 -21.510 1.00 0.00 H new ATOM 329 N LYS A 109 33.641 -10.321 -17.529 1.00 0.00 N ATOM 330 CA LYS A 109 34.671 -9.315 -17.714 1.00 0.00 C ATOM 331 C LYS A 109 35.476 -9.117 -16.427 1.00 0.00 C ATOM 332 O LYS A 109 36.675 -9.380 -16.405 1.00 0.00 O ATOM 333 CB LYS A 109 34.020 -8.000 -18.154 1.00 0.00 C ATOM 334 CG LYS A 109 35.116 -7.006 -18.585 1.00 0.00 C ATOM 335 CD LYS A 109 34.667 -6.190 -19.809 1.00 0.00 C ATOM 336 CE LYS A 109 33.777 -5.017 -19.380 1.00 0.00 C ATOM 337 NZ LYS A 109 32.487 -5.485 -18.852 1.00 0.00 N ATOM 0 H LYS A 109 32.699 -9.941 -17.435 1.00 0.00 H new ATOM 0 HA LYS A 109 35.362 -9.650 -18.487 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.332 -8.180 -18.980 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.434 -7.580 -17.337 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.347 -6.333 -17.759 1.00 0.00 H new ATOM 0 HG3 LYS A 109 36.032 -7.548 -18.820 1.00 0.00 H new ATOM 0 HD2 LYS A 109 35.540 -5.815 -20.343 1.00 0.00 H new ATOM 0 HD3 LYS A 109 34.122 -6.832 -20.501 1.00 0.00 H new ATOM 0 HE2 LYS A 109 34.290 -4.428 -18.620 1.00 0.00 H new ATOM 0 HE3 LYS A 109 33.606 -4.358 -20.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 31.758 -4.765 -19.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 32.219 -6.371 -19.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 32.570 -5.651 -17.829 1.00 0.00 H new ATOM 351 N TYR A 110 34.820 -8.639 -15.358 1.00 0.00 N ATOM 352 CA TYR A 110 35.500 -8.372 -14.098 1.00 0.00 C ATOM 353 C TYR A 110 35.753 -9.682 -13.351 1.00 0.00 C ATOM 354 O TYR A 110 36.896 -10.119 -13.224 1.00 0.00 O ATOM 355 CB TYR A 110 34.656 -7.424 -13.227 1.00 0.00 C ATOM 356 CG TYR A 110 34.146 -6.181 -13.927 1.00 0.00 C ATOM 357 CD1 TYR A 110 34.914 -5.539 -14.919 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.898 -5.651 -13.557 1.00 0.00 C ATOM 359 CE1 TYR A 110 34.426 -4.373 -15.536 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.416 -4.488 -14.170 1.00 0.00 C ATOM 361 CZ TYR A 110 33.177 -3.847 -15.159 1.00 0.00 C ATOM 362 OH TYR A 110 32.706 -2.712 -15.750 1.00 0.00 O ATOM 0 H TYR A 110 33.821 -8.432 -15.349 1.00 0.00 H new ATOM 0 HA TYR A 110 36.456 -7.895 -14.311 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.802 -7.978 -12.839 1.00 0.00 H new ATOM 0 HB3 TYR A 110 35.254 -7.118 -12.369 1.00 0.00 H new ATOM 0 HD1 TYR A 110 35.875 -5.941 -15.205 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.309 -6.143 -12.797 1.00 0.00 H new ATOM 0 HE1 TYR A 110 35.010 -3.881 -16.300 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.457 -4.084 -13.881 1.00 0.00 H new ATOM 0 HH TYR A 110 32.053 -2.282 -15.159 1.00 0.00 H new ATOM 372 N GLY A 111 34.678 -10.294 -12.850 1.00 0.00 N ATOM 373 CA GLY A 111 34.754 -11.526 -12.086 1.00 0.00 C ATOM 374 C GLY A 111 33.609 -11.556 -11.073 1.00 0.00 C ATOM 375 O GLY A 111 33.014 -10.515 -10.788 1.00 0.00 O ATOM 0 H GLY A 111 33.728 -9.941 -12.967 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.690 -12.386 -12.752 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.713 -11.592 -11.572 1.00 0.00 H new ATOM 379 N PRO A 112 33.291 -12.740 -10.525 1.00 0.00 N ATOM 380 CA PRO A 112 32.232 -12.885 -9.549 1.00 0.00 C ATOM 381 C PRO A 112 32.603 -12.168 -8.249 1.00 0.00 C ATOM 382 O PRO A 112 33.774 -11.877 -8.012 1.00 0.00 O ATOM 383 CB PRO A 112 32.078 -14.393 -9.329 1.00 0.00 C ATOM 384 CG PRO A 112 33.276 -15.062 -10.014 1.00 0.00 C ATOM 385 CD PRO A 112 33.963 -13.980 -10.847 1.00 0.00 C ATOM 0 HA PRO A 112 31.297 -12.440 -9.890 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.059 -14.629 -8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.140 -14.752 -9.752 1.00 0.00 H new ATOM 0 HG2 PRO A 112 33.962 -15.477 -9.276 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.950 -15.888 -10.646 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.025 -13.921 -10.610 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.886 -14.200 -11.912 1.00 0.00 H new ATOM 393 N LYS A 113 31.591 -11.893 -7.411 1.00 0.00 N ATOM 394 CA LYS A 113 31.781 -11.230 -6.120 1.00 0.00 C ATOM 395 C LYS A 113 32.323 -9.809 -6.314 1.00 0.00 C ATOM 396 O LYS A 113 33.254 -9.397 -5.624 1.00 0.00 O ATOM 397 CB LYS A 113 32.716 -12.059 -5.222 1.00 0.00 C ATOM 398 CG LYS A 113 32.220 -13.509 -5.110 1.00 0.00 C ATOM 399 CD LYS A 113 30.823 -13.541 -4.475 1.00 0.00 C ATOM 400 CE LYS A 113 30.497 -14.961 -3.996 1.00 0.00 C ATOM 401 NZ LYS A 113 30.332 -15.886 -5.132 1.00 0.00 N ATOM 0 H LYS A 113 30.619 -12.126 -7.614 1.00 0.00 H new ATOM 0 HA LYS A 113 30.813 -11.154 -5.625 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.726 -12.046 -5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.768 -11.610 -4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.190 -13.968 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 113 32.915 -14.094 -4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 113 30.780 -12.846 -3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 113 30.078 -13.213 -5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 113 31.295 -15.320 -3.346 1.00 0.00 H new ATOM 0 HE3 LYS A 113 29.584 -14.946 -3.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 30.112 -16.838 -4.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 29.555 -15.556 -5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 31.213 -15.918 -5.684 1.00 0.00 H new ATOM 415 N ARG A 114 31.722 -9.062 -7.248 1.00 0.00 N ATOM 416 CA ARG A 114 32.091 -7.672 -7.512 1.00 0.00 C ATOM 417 C ARG A 114 30.807 -6.866 -7.694 1.00 0.00 C ATOM 418 O ARG A 114 30.674 -6.074 -8.628 1.00 0.00 O ATOM 419 CB ARG A 114 32.985 -7.599 -8.755 1.00 0.00 C ATOM 420 CG ARG A 114 34.270 -8.396 -8.508 1.00 0.00 C ATOM 421 CD ARG A 114 35.240 -8.192 -9.667 1.00 0.00 C ATOM 422 NE ARG A 114 36.356 -9.143 -9.582 1.00 0.00 N ATOM 423 CZ ARG A 114 37.449 -9.070 -10.361 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.621 -8.031 -11.190 1.00 0.00 N ATOM 425 NH2 ARG A 114 38.370 -10.041 -10.309 1.00 0.00 N ATOM 0 H ARG A 114 30.967 -9.407 -7.840 1.00 0.00 H new ATOM 0 HA ARG A 114 32.658 -7.255 -6.679 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.457 -8.000 -9.620 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.226 -6.561 -8.982 1.00 0.00 H new ATOM 0 HG2 ARG A 114 34.733 -8.076 -7.575 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.036 -9.455 -8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 114 34.716 -8.322 -10.614 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.623 -7.172 -9.652 1.00 0.00 H new ATOM 0 HE ARG A 114 36.299 -9.897 -8.897 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.921 -7.291 -11.232 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.452 -7.981 -11.779 1.00 0.00 H new ATOM 0 HH21 ARG A 114 38.241 -10.833 -9.679 1.00 0.00 H new ATOM 0 HH22 ARG A 114 39.200 -9.988 -10.899 1.00 0.00 H new ATOM 439 N TRP A 115 29.859 -7.095 -6.784 1.00 0.00 N ATOM 440 CA TRP A 115 28.549 -6.469 -6.825 1.00 0.00 C ATOM 441 C TRP A 115 28.648 -4.964 -6.613 1.00 0.00 C ATOM 442 O TRP A 115 27.793 -4.221 -7.082 1.00 0.00 O ATOM 443 CB TRP A 115 27.673 -7.144 -5.772 1.00 0.00 C ATOM 444 CG TRP A 115 27.724 -8.634 -5.865 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.149 -9.477 -4.909 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.393 -9.476 -7.005 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.127 -10.776 -5.356 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.670 -10.835 -6.662 1.00 0.00 C ATOM 449 CE3 TRP A 115 26.898 -9.230 -8.307 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.478 -11.885 -7.565 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.697 -10.286 -9.214 1.00 0.00 C ATOM 452 CH2 TRP A 115 26.996 -11.603 -8.849 1.00 0.00 C ATOM 0 H TRP A 115 29.986 -7.727 -5.993 1.00 0.00 H new ATOM 0 HA TRP A 115 28.098 -6.601 -7.808 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.997 -6.833 -4.779 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.642 -6.809 -5.891 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.465 -9.174 -3.922 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.408 -11.585 -4.802 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.671 -8.218 -8.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.699 -12.902 -7.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.309 -10.078 -10.200 1.00 0.00 H new ATOM 0 HH2 TRP A 115 26.855 -12.404 -9.559 1.00 0.00 H new ATOM 463 N SER A 116 29.694 -4.509 -5.920 1.00 0.00 N ATOM 464 CA SER A 116 29.901 -3.090 -5.690 1.00 0.00 C ATOM 465 C SER A 116 30.202 -2.374 -7.015 1.00 0.00 C ATOM 466 O SER A 116 30.090 -1.151 -7.091 1.00 0.00 O ATOM 467 CB SER A 116 31.053 -2.905 -4.701 1.00 0.00 C ATOM 468 OG SER A 116 30.841 -3.722 -3.569 1.00 0.00 O ATOM 0 H SER A 116 30.409 -5.110 -5.510 1.00 0.00 H new ATOM 0 HA SER A 116 28.996 -2.652 -5.270 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.999 -3.164 -5.177 1.00 0.00 H new ATOM 0 HB3 SER A 116 31.123 -1.860 -4.400 1.00 0.00 H new ATOM 0 HG SER A 116 31.581 -3.604 -2.937 1.00 0.00 H new ATOM 474 N VAL A 117 30.581 -3.140 -8.053 1.00 0.00 N ATOM 475 CA VAL A 117 30.879 -2.591 -9.371 1.00 0.00 C ATOM 476 C VAL A 117 29.705 -2.865 -10.310 1.00 0.00 C ATOM 477 O VAL A 117 29.281 -1.984 -11.052 1.00 0.00 O ATOM 478 CB VAL A 117 32.174 -3.227 -9.904 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.565 -2.572 -11.230 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.306 -3.029 -8.891 1.00 0.00 C ATOM 0 H VAL A 117 30.687 -4.153 -7.994 1.00 0.00 H new ATOM 0 HA VAL A 117 31.024 -1.513 -9.307 1.00 0.00 H new ATOM 0 HB VAL A 117 32.007 -4.293 -10.059 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.483 -3.026 -11.603 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.766 -2.718 -11.957 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.725 -1.505 -11.076 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.221 -3.482 -9.274 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.468 -1.963 -8.730 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.036 -3.501 -7.946 1.00 0.00 H new ATOM 490 N ILE A 118 29.180 -4.092 -10.272 1.00 0.00 N ATOM 491 CA ILE A 118 28.057 -4.482 -11.114 1.00 0.00 C ATOM 492 C ILE A 118 26.834 -3.602 -10.799 1.00 0.00 C ATOM 493 O ILE A 118 26.090 -3.231 -11.708 1.00 0.00 O ATOM 494 CB ILE A 118 27.767 -5.979 -10.885 1.00 0.00 C ATOM 495 CG1 ILE A 118 28.929 -6.812 -11.457 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.460 -6.385 -11.577 1.00 0.00 C ATOM 497 CD1 ILE A 118 28.972 -8.189 -10.796 1.00 0.00 C ATOM 0 H ILE A 118 29.521 -4.834 -9.661 1.00 0.00 H new ATOM 0 HA ILE A 118 28.296 -4.333 -12.167 1.00 0.00 H new ATOM 0 HB ILE A 118 27.667 -6.161 -9.815 1.00 0.00 H new ATOM 0 HG12 ILE A 118 28.810 -6.922 -12.535 1.00 0.00 H new ATOM 0 HG13 ILE A 118 29.873 -6.293 -11.292 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.271 -7.445 -11.405 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.636 -5.799 -11.171 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.543 -6.201 -12.648 1.00 0.00 H new ATOM 0 HD11 ILE A 118 29.799 -8.766 -11.211 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.114 -8.073 -9.722 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.034 -8.712 -10.984 1.00 0.00 H new ATOM 509 N ALA A 119 26.631 -3.266 -9.513 1.00 0.00 N ATOM 510 CA ALA A 119 25.498 -2.444 -9.094 1.00 0.00 C ATOM 511 C ALA A 119 25.605 -1.028 -9.672 1.00 0.00 C ATOM 512 O ALA A 119 24.597 -0.448 -10.069 1.00 0.00 O ATOM 513 CB ALA A 119 25.446 -2.393 -7.567 1.00 0.00 C ATOM 0 H ALA A 119 27.242 -3.555 -8.749 1.00 0.00 H new ATOM 0 HA ALA A 119 24.579 -2.891 -9.474 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.601 -1.780 -7.252 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.329 -3.403 -7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.371 -1.960 -7.186 1.00 0.00 H new ATOM 519 N LYS A 120 26.826 -0.470 -9.717 1.00 0.00 N ATOM 520 CA LYS A 120 27.046 0.877 -10.246 1.00 0.00 C ATOM 521 C LYS A 120 26.502 0.980 -11.668 1.00 0.00 C ATOM 522 O LYS A 120 26.001 2.031 -12.073 1.00 0.00 O ATOM 523 CB LYS A 120 28.544 1.193 -10.252 1.00 0.00 C ATOM 524 CG LYS A 120 29.027 1.523 -8.843 1.00 0.00 C ATOM 525 CD LYS A 120 30.550 1.682 -8.871 1.00 0.00 C ATOM 526 CE LYS A 120 31.049 2.265 -7.550 1.00 0.00 C ATOM 527 NZ LYS A 120 30.581 1.468 -6.402 1.00 0.00 N ATOM 0 H LYS A 120 27.674 -0.935 -9.392 1.00 0.00 H new ATOM 0 HA LYS A 120 26.524 1.592 -9.610 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.100 0.341 -10.643 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.741 2.034 -10.917 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.558 2.440 -8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.742 0.731 -8.151 1.00 0.00 H new ATOM 0 HD2 LYS A 120 31.020 0.715 -9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.839 2.334 -9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 120 32.139 2.297 -7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.700 3.293 -7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 31.242 1.583 -5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 29.635 1.793 -6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 30.535 0.465 -6.672 1.00 0.00 H new ATOM 541 N HIS A 121 26.613 -0.108 -12.428 1.00 0.00 N ATOM 542 CA HIS A 121 26.179 -0.135 -13.804 1.00 0.00 C ATOM 543 C HIS A 121 24.684 -0.411 -13.846 1.00 0.00 C ATOM 544 O HIS A 121 23.944 0.296 -14.531 1.00 0.00 O ATOM 545 CB HIS A 121 26.986 -1.198 -14.553 1.00 0.00 C ATOM 546 CG HIS A 121 28.470 -1.071 -14.289 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.093 0.153 -14.056 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.477 -1.997 -14.195 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.399 -0.107 -13.844 1.00 0.00 C ATOM 550 NE2 HIS A 121 30.701 -1.403 -13.919 1.00 0.00 N ATOM 0 H HIS A 121 27.007 -0.989 -12.098 1.00 0.00 H new ATOM 0 HA HIS A 121 26.352 0.824 -14.292 1.00 0.00 H new ATOM 0 HB2 HIS A 121 26.647 -2.189 -14.252 1.00 0.00 H new ATOM 0 HB3 HIS A 121 26.799 -1.108 -15.623 1.00 0.00 H new ATOM 0 HD1 HIS A 121 28.647 1.070 -14.047 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.335 -3.060 -14.321 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.129 0.660 -13.634 1.00 0.00 H new ATOM 558 N LEU A 122 24.238 -1.428 -13.099 1.00 0.00 N ATOM 559 CA LEU A 122 22.829 -1.765 -13.027 1.00 0.00 C ATOM 560 C LEU A 122 22.161 -0.921 -11.943 1.00 0.00 C ATOM 561 O LEU A 122 21.766 -1.438 -10.898 1.00 0.00 O ATOM 562 CB LEU A 122 22.663 -3.262 -12.735 1.00 0.00 C ATOM 563 CG LEU A 122 23.053 -4.092 -13.966 1.00 0.00 C ATOM 564 CD1 LEU A 122 23.103 -5.568 -13.584 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.019 -3.894 -15.083 1.00 0.00 C ATOM 0 H LEU A 122 24.842 -2.028 -12.538 1.00 0.00 H new ATOM 0 HA LEU A 122 22.350 -1.550 -13.983 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.285 -3.545 -11.886 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.630 -3.473 -12.458 1.00 0.00 H new ATOM 0 HG LEU A 122 24.031 -3.766 -14.321 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.380 -6.160 -14.456 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.842 -5.715 -12.796 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.123 -5.885 -13.226 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.304 -4.487 -15.952 1.00 0.00 H new ATOM 0 HD22 LEU A 122 21.038 -4.214 -14.732 1.00 0.00 H new ATOM 0 HD23 LEU A 122 21.979 -2.840 -15.360 1.00 0.00 H new ATOM 577 N LYS A 123 22.035 0.387 -12.203 1.00 0.00 N ATOM 578 CA LYS A 123 21.415 1.310 -11.261 1.00 0.00 C ATOM 579 C LYS A 123 20.022 0.807 -10.889 1.00 0.00 C ATOM 580 O LYS A 123 19.257 0.390 -11.758 1.00 0.00 O ATOM 581 CB LYS A 123 21.344 2.703 -11.890 1.00 0.00 C ATOM 582 CG LYS A 123 22.734 3.352 -11.855 1.00 0.00 C ATOM 583 CD LYS A 123 22.879 4.345 -13.015 1.00 0.00 C ATOM 584 CE LYS A 123 23.271 3.601 -14.298 1.00 0.00 C ATOM 585 NZ LYS A 123 24.681 3.170 -14.259 1.00 0.00 N ATOM 0 H LYS A 123 22.358 0.826 -13.065 1.00 0.00 H new ATOM 0 HA LYS A 123 22.011 1.369 -10.351 1.00 0.00 H new ATOM 0 HB2 LYS A 123 20.990 2.632 -12.918 1.00 0.00 H new ATOM 0 HB3 LYS A 123 20.628 3.322 -11.349 1.00 0.00 H new ATOM 0 HG2 LYS A 123 22.881 3.866 -10.905 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.505 2.584 -11.924 1.00 0.00 H new ATOM 0 HD2 LYS A 123 21.941 4.879 -13.167 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.635 5.092 -12.773 1.00 0.00 H new ATOM 0 HE2 LYS A 123 22.626 2.732 -14.428 1.00 0.00 H new ATOM 0 HE3 LYS A 123 23.110 4.249 -15.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 24.767 2.225 -14.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 25.265 3.844 -14.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 25.007 3.136 -13.272 1.00 0.00 H new ATOM 599 N GLY A 124 19.705 0.840 -9.589 1.00 0.00 N ATOM 600 CA GLY A 124 18.430 0.359 -9.081 1.00 0.00 C ATOM 601 C GLY A 124 18.631 -1.000 -8.421 1.00 0.00 C ATOM 602 O GLY A 124 18.085 -1.262 -7.349 1.00 0.00 O ATOM 0 H GLY A 124 20.329 1.201 -8.867 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.021 1.069 -8.362 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.709 0.278 -9.894 1.00 0.00 H new ATOM 606 N ARG A 125 19.427 -1.862 -9.065 1.00 0.00 N ATOM 607 CA ARG A 125 19.727 -3.182 -8.542 1.00 0.00 C ATOM 608 C ARG A 125 20.992 -3.097 -7.697 1.00 0.00 C ATOM 609 O ARG A 125 22.099 -3.257 -8.210 1.00 0.00 O ATOM 610 CB ARG A 125 19.908 -4.165 -9.701 1.00 0.00 C ATOM 611 CG ARG A 125 18.578 -4.361 -10.439 1.00 0.00 C ATOM 612 CD ARG A 125 17.692 -5.348 -9.667 1.00 0.00 C ATOM 613 NE ARG A 125 16.293 -4.897 -9.605 1.00 0.00 N ATOM 614 CZ ARG A 125 15.363 -5.234 -10.519 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.720 -5.826 -11.662 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.072 -4.976 -10.280 1.00 0.00 N ATOM 0 H ARG A 125 19.875 -1.657 -9.958 1.00 0.00 H new ATOM 0 HA ARG A 125 18.907 -3.539 -7.919 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.664 -3.790 -10.391 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.268 -5.122 -9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.066 -3.404 -10.544 1.00 0.00 H new ATOM 0 HG3 ARG A 125 18.763 -4.736 -11.446 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.737 -6.327 -10.145 1.00 0.00 H new ATOM 0 HD3 ARG A 125 18.080 -5.469 -8.655 1.00 0.00 H new ATOM 0 HE ARG A 125 16.013 -4.297 -8.829 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.703 -6.026 -11.848 1.00 0.00 H new ATOM 0 HH12 ARG A 125 15.010 -6.078 -12.349 1.00 0.00 H new ATOM 0 HH21 ARG A 125 13.795 -4.525 -9.408 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.365 -5.230 -10.970 1.00 0.00 H new ATOM 630 N ILE A 126 20.818 -2.837 -6.400 1.00 0.00 N ATOM 631 CA ILE A 126 21.933 -2.709 -5.467 1.00 0.00 C ATOM 632 C ILE A 126 22.734 -4.014 -5.404 1.00 0.00 C ATOM 633 O ILE A 126 22.353 -5.016 -6.019 1.00 0.00 O ATOM 634 CB ILE A 126 21.395 -2.332 -4.075 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.346 -3.363 -3.617 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.762 -0.936 -4.132 1.00 0.00 C ATOM 637 CD1 ILE A 126 20.172 -3.291 -2.098 1.00 0.00 C ATOM 0 H ILE A 126 19.902 -2.710 -5.970 1.00 0.00 H new ATOM 0 HA ILE A 126 22.603 -1.922 -5.814 1.00 0.00 H new ATOM 0 HB ILE A 126 22.219 -2.327 -3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.394 -3.169 -4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.658 -4.366 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.381 -0.669 -3.146 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.513 -0.208 -4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.942 -0.937 -4.850 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.429 -4.023 -1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 126 21.124 -3.507 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.840 -2.292 -1.817 1.00 0.00 H new ATOM 649 N GLY A 127 23.849 -3.994 -4.653 1.00 0.00 N ATOM 650 CA GLY A 127 24.708 -5.159 -4.497 1.00 0.00 C ATOM 651 C GLY A 127 24.053 -6.189 -3.578 1.00 0.00 C ATOM 652 O GLY A 127 24.555 -6.470 -2.492 1.00 0.00 O ATOM 0 H GLY A 127 24.170 -3.171 -4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.905 -5.606 -5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.671 -4.856 -4.085 1.00 0.00 H new ATOM 656 N LYS A 128 22.931 -6.747 -4.031 1.00 0.00 N ATOM 657 CA LYS A 128 22.187 -7.751 -3.294 1.00 0.00 C ATOM 658 C LYS A 128 21.279 -8.481 -4.276 1.00 0.00 C ATOM 659 O LYS A 128 21.254 -9.706 -4.307 1.00 0.00 O ATOM 660 CB LYS A 128 21.367 -7.087 -2.181 1.00 0.00 C ATOM 661 CG LYS A 128 20.841 -8.161 -1.219 1.00 0.00 C ATOM 662 CD LYS A 128 19.726 -7.577 -0.342 1.00 0.00 C ATOM 663 CE LYS A 128 18.379 -7.662 -1.073 1.00 0.00 C ATOM 664 NZ LYS A 128 17.845 -9.038 -1.059 1.00 0.00 N ATOM 0 H LYS A 128 22.514 -6.508 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 128 22.867 -8.462 -2.824 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.984 -6.370 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.534 -6.530 -2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 128 20.463 -9.013 -1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 128 21.653 -8.529 -0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.672 -8.121 0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 128 19.951 -6.539 -0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.664 -6.988 -0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 128 18.501 -7.328 -2.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.840 -9.023 -1.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 18.375 -9.623 -1.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.944 -9.439 -0.104 1.00 0.00 H new ATOM 678 N GLN A 129 20.540 -7.711 -5.088 1.00 0.00 N ATOM 679 CA GLN A 129 19.660 -8.272 -6.100 1.00 0.00 C ATOM 680 C GLN A 129 20.505 -8.931 -7.183 1.00 0.00 C ATOM 681 O GLN A 129 20.173 -10.015 -7.653 1.00 0.00 O ATOM 682 CB GLN A 129 18.787 -7.164 -6.691 1.00 0.00 C ATOM 683 CG GLN A 129 17.826 -6.641 -5.623 1.00 0.00 C ATOM 684 CD GLN A 129 16.924 -5.549 -6.186 1.00 0.00 C ATOM 685 OE1 GLN A 129 15.929 -5.841 -6.840 1.00 0.00 O ATOM 686 NE2 GLN A 129 17.275 -4.289 -5.929 1.00 0.00 N ATOM 0 H GLN A 129 20.541 -6.692 -5.055 1.00 0.00 H new ATOM 0 HA GLN A 129 19.007 -9.023 -5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.413 -6.352 -7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.226 -7.546 -7.544 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.216 -7.461 -5.244 1.00 0.00 H new ATOM 0 HG3 GLN A 129 18.393 -6.249 -4.779 1.00 0.00 H new ATOM 0 HE21 GLN A 129 18.112 -4.095 -5.380 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.706 -3.519 -6.282 1.00 0.00 H new ATOM 695 N CYS A 130 21.609 -8.274 -7.570 1.00 0.00 N ATOM 696 CA CYS A 130 22.523 -8.818 -8.565 1.00 0.00 C ATOM 697 C CYS A 130 23.115 -10.118 -8.030 1.00 0.00 C ATOM 698 O CYS A 130 23.160 -11.124 -8.737 1.00 0.00 O ATOM 699 CB CYS A 130 23.636 -7.807 -8.861 1.00 0.00 C ATOM 700 SG CYS A 130 22.923 -6.338 -9.645 1.00 0.00 S ATOM 0 H CYS A 130 21.884 -7.363 -7.203 1.00 0.00 H new ATOM 0 HA CYS A 130 21.986 -9.018 -9.492 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.145 -7.529 -7.938 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.384 -8.255 -9.515 1.00 0.00 H new ATOM 0 HG CYS A 130 22.770 -5.403 -8.755 1.00 0.00 H new ATOM 706 N ARG A 131 23.561 -10.087 -6.765 1.00 0.00 N ATOM 707 CA ARG A 131 24.133 -11.251 -6.110 1.00 0.00 C ATOM 708 C ARG A 131 23.121 -12.391 -6.127 1.00 0.00 C ATOM 709 O ARG A 131 23.458 -13.511 -6.505 1.00 0.00 O ATOM 710 CB ARG A 131 24.524 -10.870 -4.672 1.00 0.00 C ATOM 711 CG ARG A 131 25.406 -11.963 -4.036 1.00 0.00 C ATOM 712 CD ARG A 131 24.549 -13.029 -3.336 1.00 0.00 C ATOM 713 NE ARG A 131 23.659 -12.429 -2.334 1.00 0.00 N ATOM 714 CZ ARG A 131 22.608 -13.078 -1.802 1.00 0.00 C ATOM 715 NH1 ARG A 131 22.385 -14.365 -2.106 1.00 0.00 N ATOM 716 NH2 ARG A 131 21.783 -12.436 -0.966 1.00 0.00 N ATOM 0 H ARG A 131 23.531 -9.253 -6.178 1.00 0.00 H new ATOM 0 HA ARG A 131 25.027 -11.586 -6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.060 -9.921 -4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.625 -10.727 -4.072 1.00 0.00 H new ATOM 0 HG2 ARG A 131 26.019 -12.433 -4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.088 -11.511 -3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.956 -13.565 -4.077 1.00 0.00 H new ATOM 0 HD3 ARG A 131 25.198 -13.762 -2.856 1.00 0.00 H new ATOM 0 HE ARG A 131 23.847 -11.475 -2.027 1.00 0.00 H new ATOM 0 HH11 ARG A 131 23.014 -14.855 -2.743 1.00 0.00 H new ATOM 0 HH12 ARG A 131 21.587 -14.854 -1.701 1.00 0.00 H new ATOM 0 HH21 ARG A 131 21.952 -11.457 -0.734 1.00 0.00 H new ATOM 0 HH22 ARG A 131 20.985 -12.926 -0.561 1.00 0.00 H new ATOM 730 N GLU A 132 21.879 -12.100 -5.718 1.00 0.00 N ATOM 731 CA GLU A 132 20.820 -13.093 -5.692 1.00 0.00 C ATOM 732 C GLU A 132 20.610 -13.663 -7.086 1.00 0.00 C ATOM 733 O GLU A 132 20.835 -14.843 -7.292 1.00 0.00 O ATOM 734 CB GLU A 132 19.527 -12.461 -5.164 1.00 0.00 C ATOM 735 CG GLU A 132 19.322 -12.852 -3.699 1.00 0.00 C ATOM 736 CD GLU A 132 18.543 -11.779 -2.953 1.00 0.00 C ATOM 737 OE1 GLU A 132 17.381 -11.542 -3.352 1.00 0.00 O ATOM 738 OE2 GLU A 132 19.120 -11.213 -1.998 1.00 0.00 O ATOM 0 H GLU A 132 21.591 -11.175 -5.400 1.00 0.00 H new ATOM 0 HA GLU A 132 21.105 -13.907 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.577 -11.376 -5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 132 18.678 -12.794 -5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.787 -13.800 -3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 132 20.290 -13.003 -3.220 1.00 0.00 H new ATOM 745 N ARG A 133 20.176 -12.819 -8.039 1.00 0.00 N ATOM 746 CA ARG A 133 19.917 -13.252 -9.410 1.00 0.00 C ATOM 747 C ARG A 133 20.983 -14.245 -9.850 1.00 0.00 C ATOM 748 O ARG A 133 20.663 -15.316 -10.370 1.00 0.00 O ATOM 749 CB ARG A 133 19.903 -12.026 -10.340 1.00 0.00 C ATOM 750 CG ARG A 133 19.505 -12.431 -11.770 1.00 0.00 C ATOM 751 CD ARG A 133 18.036 -12.867 -11.816 1.00 0.00 C ATOM 752 NE ARG A 133 17.584 -13.037 -13.204 1.00 0.00 N ATOM 753 CZ ARG A 133 16.379 -13.541 -13.534 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.601 -14.086 -12.600 1.00 0.00 N ATOM 755 NH2 ARG A 133 15.956 -13.493 -14.801 1.00 0.00 N ATOM 0 H ARG A 133 19.998 -11.828 -7.876 1.00 0.00 H new ATOM 0 HA ARG A 133 18.946 -13.745 -9.460 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.203 -11.283 -9.959 1.00 0.00 H new ATOM 0 HB3 ARG A 133 20.888 -11.560 -10.350 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.663 -11.593 -12.449 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.143 -13.245 -12.115 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.913 -13.803 -11.272 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.416 -12.123 -11.316 1.00 0.00 H new ATOM 0 HE ARG A 133 18.215 -12.759 -13.956 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.917 -14.123 -11.631 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.689 -14.466 -12.854 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.546 -13.074 -15.520 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.043 -13.875 -15.049 1.00 0.00 H new ATOM 769 N TRP A 134 22.251 -13.887 -9.632 1.00 0.00 N ATOM 770 CA TRP A 134 23.359 -14.737 -10.003 1.00 0.00 C ATOM 771 C TRP A 134 23.295 -16.061 -9.237 1.00 0.00 C ATOM 772 O TRP A 134 23.170 -17.121 -9.846 1.00 0.00 O ATOM 773 CB TRP A 134 24.679 -14.001 -9.750 1.00 0.00 C ATOM 774 CG TRP A 134 25.791 -14.464 -10.627 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.943 -15.026 -10.221 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.866 -14.431 -12.078 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.730 -15.358 -11.297 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.105 -15.017 -12.483 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.009 -13.970 -13.105 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.457 -15.156 -13.827 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.360 -14.108 -14.449 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.569 -14.714 -14.814 1.00 0.00 C ATOM 0 H TRP A 134 22.525 -13.006 -9.197 1.00 0.00 H new ATOM 0 HA TRP A 134 23.298 -14.972 -11.066 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.526 -12.933 -9.903 1.00 0.00 H new ATOM 0 HB3 TRP A 134 24.968 -14.136 -8.708 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.213 -15.194 -9.189 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.649 -15.796 -11.231 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.070 -13.505 -12.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.403 -15.599 -14.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.692 -13.744 -15.216 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.816 -14.840 -15.858 1.00 0.00 H new ATOM 793 N HIS A 135 23.381 -16.001 -7.904 1.00 0.00 N ATOM 794 CA HIS A 135 23.363 -17.196 -7.069 1.00 0.00 C ATOM 795 C HIS A 135 21.922 -17.601 -6.727 1.00 0.00 C ATOM 796 O HIS A 135 21.618 -17.906 -5.574 1.00 0.00 O ATOM 797 CB HIS A 135 24.183 -16.928 -5.805 1.00 0.00 C ATOM 798 CG HIS A 135 25.633 -16.650 -6.114 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.444 -17.562 -6.779 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.445 -15.572 -5.867 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.661 -16.995 -6.888 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.732 -15.775 -6.349 1.00 0.00 N ATOM 0 H HIS A 135 23.464 -15.129 -7.382 1.00 0.00 H new ATOM 0 HA HIS A 135 23.808 -18.030 -7.612 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.758 -16.078 -5.272 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.114 -17.789 -5.140 1.00 0.00 H new ATOM 0 HD1 HIS A 135 26.170 -18.484 -7.119 1.00 0.00 H new ATOM 0 HD2 HIS A 135 26.123 -14.675 -5.360 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.499 -17.480 -7.366 1.00 0.00 H new ATOM 810 N ASN A 136 21.044 -17.616 -7.740 1.00 0.00 N ATOM 811 CA ASN A 136 19.650 -18.038 -7.591 1.00 0.00 C ATOM 812 C ASN A 136 19.365 -19.053 -8.671 1.00 0.00 C ATOM 813 O ASN A 136 19.212 -20.243 -8.406 1.00 0.00 O ATOM 814 CB ASN A 136 18.689 -16.841 -7.773 1.00 0.00 C ATOM 815 CG ASN A 136 18.413 -16.094 -6.476 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.418 -15.373 -6.372 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.279 -16.248 -5.492 1.00 0.00 N ATOM 0 H ASN A 136 21.286 -17.333 -8.690 1.00 0.00 H new ATOM 0 HA ASN A 136 19.499 -18.454 -6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.114 -16.149 -8.500 1.00 0.00 H new ATOM 0 HB3 ASN A 136 17.746 -17.199 -8.187 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.137 -15.762 -4.607 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.090 -16.854 -5.617 1.00 0.00 H new ATOM 824 N HIS A 137 19.296 -18.545 -9.896 1.00 0.00 N ATOM 825 CA HIS A 137 19.021 -19.359 -11.082 1.00 0.00 C ATOM 826 C HIS A 137 20.054 -19.100 -12.191 1.00 0.00 C ATOM 827 O HIS A 137 20.272 -19.970 -13.032 1.00 0.00 O ATOM 828 CB HIS A 137 17.596 -19.075 -11.592 1.00 0.00 C ATOM 829 CG HIS A 137 16.992 -17.815 -11.023 1.00 0.00 C ATOM 830 ND1 HIS A 137 15.883 -17.828 -10.184 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.320 -16.491 -11.152 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.619 -16.545 -9.867 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.461 -15.676 -10.425 1.00 0.00 N ATOM 0 H HIS A 137 19.429 -17.554 -10.099 1.00 0.00 H new ATOM 0 HA HIS A 137 19.097 -20.410 -10.801 1.00 0.00 H new ATOM 0 HB2 HIS A 137 17.616 -19.000 -12.679 1.00 0.00 H new ATOM 0 HB3 HIS A 137 16.955 -19.920 -11.343 1.00 0.00 H new ATOM 0 HD1 HIS A 137 15.368 -18.650 -9.869 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.145 -16.126 -11.746 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.804 -16.250 -9.223 1.00 0.00 H new ATOM 841 N LEU A 138 20.686 -17.914 -12.202 1.00 0.00 N ATOM 842 CA LEU A 138 21.681 -17.576 -13.222 1.00 0.00 C ATOM 843 C LEU A 138 23.034 -18.226 -12.851 1.00 0.00 C ATOM 844 O LEU A 138 23.057 -19.285 -12.229 1.00 0.00 O ATOM 845 CB LEU A 138 21.776 -16.028 -13.328 1.00 0.00 C ATOM 846 CG LEU A 138 21.599 -15.526 -14.778 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.674 -16.099 -15.696 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.221 -15.903 -15.315 1.00 0.00 C ATOM 0 H LEU A 138 20.523 -17.178 -11.515 1.00 0.00 H new ATOM 0 HA LEU A 138 21.392 -17.964 -14.199 1.00 0.00 H new ATOM 0 HB2 LEU A 138 21.014 -15.575 -12.694 1.00 0.00 H new ATOM 0 HB3 LEU A 138 22.743 -15.699 -12.948 1.00 0.00 H new ATOM 0 HG LEU A 138 21.695 -14.440 -14.761 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.523 -15.728 -16.710 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.658 -15.792 -15.340 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.611 -17.187 -15.695 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.117 -15.540 -16.338 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.109 -16.987 -15.302 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.451 -15.451 -14.690 1.00 0.00 H new