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+ -178:sc= 0.663 (180deg=0) USER MOD Set 1.2: A 110 TYR OH : rot -151:sc= 1.9 USER MOD Set 1.3: A 121 HIS : no HE2:sc= 0.858 K(o=3.4,f=-1.9) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 97 LYS NZ :NH3+ 167:sc= -0.0546 (180deg=-0.306) USER MOD Single : A 101 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.35) USER MOD Single : A 108 GLN : amide:sc=-0.00772 X(o=-0.0077,f=0) USER MOD Single : A 113 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0971) 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+ -161:sc= -0.0196 (180deg=-0.21) USER MOD Single : A 128 LYS NZ :NH3+ -174:sc= 1.26 (180deg=1.21) USER MOD Single : A 129 GLN : amide:sc= -0.876 K(o=-0.88,f=-0.29) USER MOD Single : A 130 CYS SG : rot 180:sc= -0.113 USER MOD Single : A 135 HIS : no HD1:sc= -0.595 K(o=-0.6,f=-0.022) USER MOD Single : A 136 ASN : amide:sc= 0.954 K(o=0.95,f=-0.087) USER MOD Single : A 137 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 12.990 -9.451 -13.293 1.00 0.00 N ATOM 85 CA TRP A 95 14.152 -9.027 -14.078 1.00 0.00 C ATOM 86 C TRP A 95 13.824 -9.086 -15.582 1.00 0.00 C ATOM 87 O TRP A 95 12.686 -9.367 -15.962 1.00 0.00 O ATOM 88 CB TRP A 95 15.359 -9.917 -13.729 1.00 0.00 C ATOM 89 CG TRP A 95 16.225 -9.402 -12.622 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.854 -9.239 -11.340 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.624 -8.995 -12.670 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.893 -8.757 -10.583 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.022 -8.580 -11.359 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.605 -8.936 -13.682 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.312 -8.125 -11.077 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.907 -8.481 -13.400 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.256 -8.072 -12.100 1.00 0.00 C ATOM 0 HA TRP A 95 14.405 -7.995 -13.834 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.994 -10.907 -13.454 1.00 0.00 H new ATOM 0 HB3 TRP A 95 15.971 -10.040 -14.622 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.869 -9.458 -10.956 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.839 -8.557 -9.584 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.354 -9.244 -14.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.575 -7.817 -10.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.644 -8.446 -14.188 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.255 -7.717 -11.895 1.00 0.00 H new ATOM 108 N THR A 96 14.824 -8.815 -16.436 1.00 0.00 N ATOM 109 CA THR A 96 14.645 -8.866 -17.885 1.00 0.00 C ATOM 110 C THR A 96 15.830 -9.600 -18.509 1.00 0.00 C ATOM 111 O THR A 96 16.898 -9.684 -17.906 1.00 0.00 O ATOM 112 CB THR A 96 14.515 -7.446 -18.466 1.00 0.00 C ATOM 113 OG1 THR A 96 15.789 -6.848 -18.561 1.00 0.00 O ATOM 114 CG2 THR A 96 13.612 -6.584 -17.578 1.00 0.00 C ATOM 0 H THR A 96 15.766 -8.558 -16.141 1.00 0.00 H new ATOM 0 HA THR A 96 13.726 -9.404 -18.117 1.00 0.00 H new ATOM 0 HB THR A 96 14.071 -7.518 -19.459 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.700 -5.946 -18.933 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.531 -5.584 -18.003 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.621 -7.035 -17.520 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.040 -6.519 -16.578 1.00 0.00 H new ATOM 122 N LYS A 97 15.635 -10.131 -19.721 1.00 0.00 N ATOM 123 CA LYS A 97 16.675 -10.868 -20.424 1.00 0.00 C ATOM 124 C LYS A 97 17.912 -9.990 -20.624 1.00 0.00 C ATOM 125 O LYS A 97 19.035 -10.457 -20.451 1.00 0.00 O ATOM 126 CB LYS A 97 16.127 -11.342 -21.775 1.00 0.00 C ATOM 127 CG LYS A 97 17.176 -12.208 -22.486 1.00 0.00 C ATOM 128 CD LYS A 97 16.555 -12.903 -23.709 1.00 0.00 C ATOM 129 CE LYS A 97 16.019 -11.872 -24.715 1.00 0.00 C ATOM 130 NZ LYS A 97 17.064 -10.911 -25.117 1.00 0.00 N ATOM 0 H LYS A 97 14.756 -10.059 -20.234 1.00 0.00 H new ATOM 0 HA LYS A 97 16.971 -11.733 -19.830 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.211 -11.913 -21.626 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.870 -10.483 -22.395 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.017 -11.589 -22.799 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.569 -12.954 -21.796 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.302 -13.533 -24.192 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.745 -13.558 -23.387 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.639 -12.387 -25.597 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.180 -11.334 -24.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.741 -10.375 -25.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.252 -10.255 -24.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.936 -11.426 -25.355 1.00 0.00 H new ATOM 144 N GLU A 98 17.705 -8.721 -20.994 1.00 0.00 N ATOM 145 CA GLU A 98 18.807 -7.802 -21.237 1.00 0.00 C ATOM 146 C GLU A 98 19.514 -7.482 -19.921 1.00 0.00 C ATOM 147 O GLU A 98 20.738 -7.494 -19.860 1.00 0.00 O ATOM 148 CB GLU A 98 18.283 -6.522 -21.904 1.00 0.00 C ATOM 149 CG GLU A 98 19.277 -6.047 -22.975 1.00 0.00 C ATOM 150 CD GLU A 98 20.676 -5.852 -22.394 1.00 0.00 C ATOM 151 OE1 GLU A 98 20.811 -4.978 -21.512 1.00 0.00 O ATOM 152 OE2 GLU A 98 21.588 -6.582 -22.843 1.00 0.00 O ATOM 0 H GLU A 98 16.780 -8.313 -21.130 1.00 0.00 H new ATOM 0 HA GLU A 98 19.527 -8.268 -21.910 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.309 -6.710 -22.357 1.00 0.00 H new ATOM 0 HB3 GLU A 98 18.142 -5.743 -21.155 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.317 -6.776 -23.785 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.927 -5.109 -23.407 1.00 0.00 H new ATOM 159 N GLU A 99 18.742 -7.199 -18.865 1.00 0.00 N ATOM 160 CA GLU A 99 19.317 -6.890 -17.567 1.00 0.00 C ATOM 161 C GLU A 99 20.202 -8.056 -17.119 1.00 0.00 C ATOM 162 O GLU A 99 21.337 -7.849 -16.688 1.00 0.00 O ATOM 163 CB GLU A 99 18.196 -6.619 -16.559 1.00 0.00 C ATOM 164 CG GLU A 99 18.764 -5.861 -15.361 1.00 0.00 C ATOM 165 CD GLU A 99 17.720 -5.675 -14.268 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.710 -6.415 -14.291 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.952 -4.794 -13.420 1.00 0.00 O ATOM 0 H GLU A 99 17.723 -7.180 -18.892 1.00 0.00 H new ATOM 0 HA GLU A 99 19.934 -5.994 -17.631 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.402 -6.038 -17.028 1.00 0.00 H new ATOM 0 HB3 GLU A 99 17.751 -7.559 -16.231 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.620 -6.404 -14.959 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.129 -4.887 -15.686 1.00 0.00 H new ATOM 174 N ASP A 100 19.681 -9.285 -17.239 1.00 0.00 N ATOM 175 CA ASP A 100 20.433 -10.481 -16.894 1.00 0.00 C ATOM 176 C ASP A 100 21.694 -10.550 -17.755 1.00 0.00 C ATOM 177 O ASP A 100 22.785 -10.776 -17.239 1.00 0.00 O ATOM 178 CB ASP A 100 19.552 -11.721 -17.109 1.00 0.00 C ATOM 179 CG ASP A 100 18.838 -12.118 -15.829 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.544 -12.478 -14.864 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.593 -12.056 -15.835 1.00 0.00 O ATOM 0 H ASP A 100 18.736 -9.468 -17.575 1.00 0.00 H new ATOM 0 HA ASP A 100 20.729 -10.448 -15.846 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.819 -11.518 -17.889 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.167 -12.551 -17.458 1.00 0.00 H new ATOM 186 N GLN A 101 21.542 -10.344 -19.072 1.00 0.00 N ATOM 187 CA GLN A 101 22.669 -10.353 -19.996 1.00 0.00 C ATOM 188 C GLN A 101 23.728 -9.345 -19.540 1.00 0.00 C ATOM 189 O GLN A 101 24.924 -9.599 -19.673 1.00 0.00 O ATOM 190 CB GLN A 101 22.172 -10.026 -21.412 1.00 0.00 C ATOM 191 CG GLN A 101 23.302 -10.214 -22.433 1.00 0.00 C ATOM 192 CD GLN A 101 23.784 -11.661 -22.466 1.00 0.00 C ATOM 193 OE1 GLN A 101 24.926 -11.945 -22.117 1.00 0.00 O ATOM 194 NE2 GLN A 101 22.909 -12.575 -22.887 1.00 0.00 N ATOM 0 H GLN A 101 20.641 -10.169 -19.516 1.00 0.00 H new ATOM 0 HA GLN A 101 23.126 -11.342 -20.007 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.332 -10.672 -21.667 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.808 -8.999 -21.448 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.952 -9.922 -23.423 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.135 -9.557 -22.182 1.00 0.00 H new ATOM 0 HE21 GLN A 101 21.970 -12.291 -23.167 1.00 0.00 H new ATOM 0 HE22 GLN A 101 23.179 -13.558 -22.929 1.00 0.00 H new ATOM 203 N ARG A 102 23.289 -8.205 -18.997 1.00 0.00 N ATOM 204 CA ARG A 102 24.204 -7.189 -18.513 1.00 0.00 C ATOM 205 C ARG A 102 25.053 -7.768 -17.382 1.00 0.00 C ATOM 206 O ARG A 102 26.268 -7.591 -17.369 1.00 0.00 O ATOM 207 CB ARG A 102 23.415 -5.958 -18.040 1.00 0.00 C ATOM 208 CG ARG A 102 24.215 -4.679 -18.334 1.00 0.00 C ATOM 209 CD ARG A 102 23.655 -3.976 -19.582 1.00 0.00 C ATOM 210 NE ARG A 102 23.481 -4.908 -20.709 1.00 0.00 N ATOM 211 CZ ARG A 102 24.506 -5.428 -21.410 1.00 0.00 C ATOM 212 NH1 ARG A 102 25.766 -5.063 -21.141 1.00 0.00 N ATOM 213 NH2 ARG A 102 24.265 -6.317 -22.378 1.00 0.00 N ATOM 0 H ARG A 102 22.303 -7.971 -18.885 1.00 0.00 H new ATOM 0 HA ARG A 102 24.868 -6.875 -19.318 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.450 -5.918 -18.545 1.00 0.00 H new ATOM 0 HB3 ARG A 102 23.213 -6.033 -16.972 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.167 -4.007 -17.477 1.00 0.00 H new ATOM 0 HG3 ARG A 102 25.266 -4.926 -18.488 1.00 0.00 H new ATOM 0 HD2 ARG A 102 22.696 -3.517 -19.340 1.00 0.00 H new ATOM 0 HD3 ARG A 102 24.328 -3.171 -19.878 1.00 0.00 H new ATOM 0 HE ARG A 102 22.532 -5.174 -20.973 1.00 0.00 H new ATOM 0 HH11 ARG A 102 25.954 -4.387 -20.401 1.00 0.00 H new ATOM 0 HH12 ARG A 102 26.538 -5.461 -21.676 1.00 0.00 H new ATOM 0 HH21 ARG A 102 23.307 -6.600 -22.584 1.00 0.00 H new ATOM 0 HH22 ARG A 102 25.039 -6.713 -22.911 1.00 0.00 H new ATOM 227 N VAL A 103 24.413 -8.470 -16.436 1.00 0.00 N ATOM 228 CA VAL A 103 25.129 -9.084 -15.327 1.00 0.00 C ATOM 229 C VAL A 103 26.092 -10.138 -15.864 1.00 0.00 C ATOM 230 O VAL A 103 27.229 -10.196 -15.425 1.00 0.00 O ATOM 231 CB VAL A 103 24.138 -9.700 -14.331 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.897 -10.496 -13.264 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.348 -8.589 -13.648 1.00 0.00 C ATOM 0 H VAL A 103 23.404 -8.622 -16.423 1.00 0.00 H new ATOM 0 HA VAL A 103 25.704 -8.323 -14.800 1.00 0.00 H new ATOM 0 HB VAL A 103 23.461 -10.364 -14.869 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.187 -10.930 -12.560 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.468 -11.292 -13.742 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.577 -9.832 -12.730 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.644 -9.026 -12.940 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.034 -7.929 -13.117 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.801 -8.017 -14.398 1.00 0.00 H new ATOM 243 N ILE A 104 25.638 -10.967 -16.817 1.00 0.00 N ATOM 244 CA ILE A 104 26.490 -11.994 -17.408 1.00 0.00 C ATOM 245 C ILE A 104 27.777 -11.344 -17.919 1.00 0.00 C ATOM 246 O ILE A 104 28.873 -11.771 -17.567 1.00 0.00 O ATOM 247 CB ILE A 104 25.740 -12.709 -18.553 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.600 -13.568 -17.982 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.714 -13.605 -19.333 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.729 -14.121 -19.115 1.00 0.00 C ATOM 0 H ILE A 104 24.689 -10.941 -17.189 1.00 0.00 H new ATOM 0 HA ILE A 104 26.746 -12.740 -16.656 1.00 0.00 H new ATOM 0 HB ILE A 104 25.322 -11.958 -19.223 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.013 -14.390 -17.398 1.00 0.00 H new ATOM 0 HG13 ILE A 104 23.990 -12.971 -17.304 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.180 -14.107 -20.140 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.514 -12.994 -19.752 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.140 -14.350 -18.661 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.926 -14.727 -18.694 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.301 -13.294 -19.681 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.339 -14.736 -19.776 1.00 0.00 H new ATOM 262 N GLU A 105 27.629 -10.310 -18.750 1.00 0.00 N ATOM 263 CA GLU A 105 28.757 -9.605 -19.336 1.00 0.00 C ATOM 264 C GLU A 105 29.682 -9.045 -18.245 1.00 0.00 C ATOM 265 O GLU A 105 30.876 -9.342 -18.232 1.00 0.00 O ATOM 266 CB GLU A 105 28.209 -8.475 -20.220 1.00 0.00 C ATOM 267 CG GLU A 105 29.350 -7.766 -20.957 1.00 0.00 C ATOM 268 CD GLU A 105 28.846 -6.492 -21.626 1.00 0.00 C ATOM 269 OE1 GLU A 105 27.761 -6.563 -22.247 1.00 0.00 O ATOM 270 OE2 GLU A 105 29.551 -5.469 -21.502 1.00 0.00 O ATOM 0 H GLU A 105 26.720 -9.942 -19.032 1.00 0.00 H new ATOM 0 HA GLU A 105 29.351 -10.293 -19.938 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.500 -8.881 -20.941 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.664 -7.758 -19.606 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.148 -7.524 -20.255 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.776 -8.433 -21.707 1.00 0.00 H new ATOM 277 N LEU A 106 29.130 -8.224 -17.343 1.00 0.00 N ATOM 278 CA LEU A 106 29.914 -7.576 -16.294 1.00 0.00 C ATOM 279 C LEU A 106 30.633 -8.609 -15.421 1.00 0.00 C ATOM 280 O LEU A 106 31.813 -8.444 -15.123 1.00 0.00 O ATOM 281 CB LEU A 106 28.996 -6.693 -15.441 1.00 0.00 C ATOM 282 CG LEU A 106 28.460 -5.512 -16.270 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.392 -4.773 -15.461 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.600 -4.544 -16.611 1.00 0.00 C ATOM 0 H LEU A 106 28.136 -7.994 -17.322 1.00 0.00 H new ATOM 0 HA LEU A 106 30.677 -6.955 -16.762 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.164 -7.285 -15.060 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.543 -6.319 -14.576 1.00 0.00 H new ATOM 0 HG LEU A 106 28.029 -5.892 -17.196 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.009 -3.935 -16.044 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.575 -5.456 -15.227 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.830 -4.401 -14.535 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.208 -3.713 -17.198 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.041 -4.162 -15.690 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.362 -5.068 -17.188 1.00 0.00 H new ATOM 296 N VAL A 107 29.929 -9.669 -15.011 1.00 0.00 N ATOM 297 CA VAL A 107 30.516 -10.710 -14.174 1.00 0.00 C ATOM 298 C VAL A 107 31.670 -11.376 -14.914 1.00 0.00 C ATOM 299 O VAL A 107 32.709 -11.641 -14.325 1.00 0.00 O ATOM 300 CB VAL A 107 29.440 -11.740 -13.791 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.100 -13.025 -13.278 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.551 -11.162 -12.688 1.00 0.00 C ATOM 0 H VAL A 107 28.949 -9.825 -15.248 1.00 0.00 H new ATOM 0 HA VAL A 107 30.906 -10.266 -13.258 1.00 0.00 H new ATOM 0 HB VAL A 107 28.840 -11.969 -14.672 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.329 -13.748 -13.010 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.735 -13.445 -14.058 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.706 -12.798 -12.401 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.788 -11.891 -12.416 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.160 -10.930 -11.814 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.071 -10.252 -13.047 1.00 0.00 H new ATOM 312 N GLN A 108 31.490 -11.647 -16.205 1.00 0.00 N ATOM 313 CA GLN A 108 32.525 -12.284 -17.001 1.00 0.00 C ATOM 314 C GLN A 108 33.730 -11.348 -17.152 1.00 0.00 C ATOM 315 O GLN A 108 34.850 -11.810 -17.358 1.00 0.00 O ATOM 316 CB GLN A 108 31.940 -12.666 -18.363 1.00 0.00 C ATOM 317 CG GLN A 108 32.675 -13.881 -18.935 1.00 0.00 C ATOM 318 CD GLN A 108 31.766 -14.649 -19.885 1.00 0.00 C ATOM 319 OE1 GLN A 108 31.969 -14.629 -21.096 1.00 0.00 O ATOM 320 NE2 GLN A 108 30.755 -15.322 -19.332 1.00 0.00 N ATOM 0 H GLN A 108 30.635 -11.433 -16.718 1.00 0.00 H new ATOM 0 HA GLN A 108 32.874 -13.188 -16.503 1.00 0.00 H new ATOM 0 HB2 GLN A 108 30.878 -12.890 -18.260 1.00 0.00 H new ATOM 0 HB3 GLN A 108 32.023 -11.825 -19.051 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.572 -13.557 -19.462 1.00 0.00 H new ATOM 0 HG3 GLN A 108 32.999 -14.533 -18.124 1.00 0.00 H new ATOM 0 HE21 GLN A 108 30.627 -15.309 -18.320 1.00 0.00 H new ATOM 0 HE22 GLN A 108 30.111 -15.849 -19.921 1.00 0.00 H new ATOM 329 N LYS A 109 33.496 -10.030 -17.046 1.00 0.00 N ATOM 330 CA LYS A 109 34.559 -9.044 -17.161 1.00 0.00 C ATOM 331 C LYS A 109 35.344 -8.963 -15.846 1.00 0.00 C ATOM 332 O LYS A 109 36.564 -9.109 -15.847 1.00 0.00 O ATOM 333 CB LYS A 109 33.949 -7.685 -17.522 1.00 0.00 C ATOM 334 CG LYS A 109 35.036 -6.768 -18.096 1.00 0.00 C ATOM 335 CD LYS A 109 34.447 -5.388 -18.414 1.00 0.00 C ATOM 336 CE LYS A 109 34.225 -4.605 -17.117 1.00 0.00 C ATOM 337 NZ LYS A 109 33.835 -3.211 -17.393 1.00 0.00 N ATOM 0 H LYS A 109 32.572 -9.631 -16.880 1.00 0.00 H new ATOM 0 HA LYS A 109 35.252 -9.338 -17.949 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.149 -7.816 -18.250 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.504 -7.229 -16.638 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.853 -6.668 -17.381 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.456 -7.210 -19.000 1.00 0.00 H new ATOM 0 HD2 LYS A 109 35.121 -4.838 -19.070 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.503 -5.500 -18.948 1.00 0.00 H new ATOM 0 HE2 LYS A 109 33.450 -5.091 -16.524 1.00 0.00 H new ATOM 0 HE3 LYS A 109 35.137 -4.618 -16.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 33.725 -2.697 -16.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 34.571 -2.752 -17.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 32.934 -3.199 -17.912 1.00 0.00 H new ATOM 351 N TYR A 110 34.640 -8.725 -14.726 1.00 0.00 N ATOM 352 CA TYR A 110 35.275 -8.621 -13.415 1.00 0.00 C ATOM 353 C TYR A 110 35.380 -10.009 -12.781 1.00 0.00 C ATOM 354 O TYR A 110 36.471 -10.567 -12.672 1.00 0.00 O ATOM 355 CB TYR A 110 34.454 -7.687 -12.511 1.00 0.00 C ATOM 356 CG TYR A 110 34.267 -6.292 -13.067 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.382 -5.467 -13.308 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.971 -5.811 -13.326 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.197 -4.167 -13.809 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.790 -4.514 -13.825 1.00 0.00 C ATOM 361 CZ TYR A 110 33.900 -3.691 -14.066 1.00 0.00 C ATOM 362 OH TYR A 110 33.719 -2.431 -14.556 1.00 0.00 O ATOM 0 H TYR A 110 33.628 -8.602 -14.710 1.00 0.00 H new ATOM 0 HA TYR A 110 36.277 -8.208 -13.532 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.474 -8.133 -12.342 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.944 -7.616 -11.540 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.378 -5.833 -13.108 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.114 -6.442 -13.140 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.052 -3.534 -13.996 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.794 -4.147 -14.024 1.00 0.00 H new ATOM 0 HH TYR A 110 32.851 -2.086 -14.259 1.00 0.00 H new ATOM 372 N GLY A 111 34.235 -10.553 -12.359 1.00 0.00 N ATOM 373 CA GLY A 111 34.161 -11.856 -11.722 1.00 0.00 C ATOM 374 C GLY A 111 32.878 -11.930 -10.893 1.00 0.00 C ATOM 375 O GLY A 111 32.168 -10.931 -10.775 1.00 0.00 O ATOM 0 H GLY A 111 33.330 -10.092 -12.454 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.170 -12.644 -12.475 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.031 -12.014 -11.085 1.00 0.00 H new ATOM 379 N PRO A 112 32.575 -13.105 -10.306 1.00 0.00 N ATOM 380 CA PRO A 112 31.395 -13.296 -9.472 1.00 0.00 C ATOM 381 C PRO A 112 31.554 -12.602 -8.099 1.00 0.00 C ATOM 382 O PRO A 112 31.027 -13.081 -7.096 1.00 0.00 O ATOM 383 CB PRO A 112 31.261 -14.819 -9.322 1.00 0.00 C ATOM 384 CG PRO A 112 32.593 -15.424 -9.784 1.00 0.00 C ATOM 385 CD PRO A 112 33.379 -14.297 -10.457 1.00 0.00 C ATOM 0 HA PRO A 112 30.505 -12.852 -9.918 1.00 0.00 H new ATOM 0 HB2 PRO A 112 31.051 -15.089 -8.287 1.00 0.00 H new ATOM 0 HB3 PRO A 112 30.434 -15.196 -9.924 1.00 0.00 H new ATOM 0 HG2 PRO A 112 33.147 -15.831 -8.938 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.424 -16.246 -10.479 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.356 -14.170 -9.991 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.555 -14.518 -11.510 1.00 0.00 H new ATOM 393 N LYS A 113 32.280 -11.472 -8.064 1.00 0.00 N ATOM 394 CA LYS A 113 32.512 -10.708 -6.846 1.00 0.00 C ATOM 395 C LYS A 113 32.376 -9.220 -7.173 1.00 0.00 C ATOM 396 O LYS A 113 32.011 -8.866 -8.293 1.00 0.00 O ATOM 397 CB LYS A 113 33.918 -11.018 -6.297 1.00 0.00 C ATOM 398 CG LYS A 113 33.993 -12.465 -5.788 1.00 0.00 C ATOM 399 CD LYS A 113 34.697 -13.348 -6.826 1.00 0.00 C ATOM 400 CE LYS A 113 34.572 -14.823 -6.430 1.00 0.00 C ATOM 401 NZ LYS A 113 35.245 -15.095 -5.146 1.00 0.00 N ATOM 0 H LYS A 113 32.721 -11.068 -8.890 1.00 0.00 H new ATOM 0 HA LYS A 113 31.782 -10.980 -6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.662 -10.863 -7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 113 34.158 -10.329 -5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 113 34.534 -12.499 -4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 113 32.989 -12.844 -5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 113 34.256 -13.188 -7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 113 35.749 -13.070 -6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 113 33.519 -15.093 -6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 113 35.006 -15.449 -7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 35.260 -16.120 -4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 36.220 -14.735 -5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 34.730 -14.621 -4.377 1.00 0.00 H new ATOM 415 N ARG A 114 32.671 -8.351 -6.193 1.00 0.00 N ATOM 416 CA ARG A 114 32.578 -6.905 -6.373 1.00 0.00 C ATOM 417 C ARG A 114 31.196 -6.545 -6.921 1.00 0.00 C ATOM 418 O ARG A 114 31.077 -5.833 -7.917 1.00 0.00 O ATOM 419 CB ARG A 114 33.691 -6.420 -7.314 1.00 0.00 C ATOM 420 CG ARG A 114 35.062 -6.736 -6.708 1.00 0.00 C ATOM 421 CD ARG A 114 36.161 -6.108 -7.567 1.00 0.00 C ATOM 422 NE ARG A 114 37.487 -6.359 -6.989 1.00 0.00 N ATOM 423 CZ ARG A 114 38.621 -5.847 -7.500 1.00 0.00 C ATOM 424 NH1 ARG A 114 38.580 -5.089 -8.605 1.00 0.00 N ATOM 425 NH2 ARG A 114 39.795 -6.096 -6.904 1.00 0.00 N ATOM 0 H ARG A 114 32.978 -8.634 -5.262 1.00 0.00 H new ATOM 0 HA ARG A 114 32.709 -6.407 -5.412 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.593 -6.903 -8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.596 -5.347 -7.481 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.118 -6.351 -5.690 1.00 0.00 H new ATOM 0 HG3 ARG A 114 35.205 -7.815 -6.649 1.00 0.00 H new ATOM 0 HD2 ARG A 114 36.117 -6.517 -8.577 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.994 -5.034 -7.650 1.00 0.00 H new ATOM 0 HE ARG A 114 37.551 -6.950 -6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.687 -4.899 -9.060 1.00 0.00 H new ATOM 0 HH12 ARG A 114 39.442 -4.702 -8.990 1.00 0.00 H new ATOM 0 HH21 ARG A 114 39.828 -6.673 -6.064 1.00 0.00 H new ATOM 0 HH22 ARG A 114 40.656 -5.708 -7.291 1.00 0.00 H new ATOM 439 N TRP A 115 30.151 -7.048 -6.259 1.00 0.00 N ATOM 440 CA TRP A 115 28.781 -6.805 -6.674 1.00 0.00 C ATOM 441 C TRP A 115 28.449 -5.318 -6.588 1.00 0.00 C ATOM 442 O TRP A 115 27.537 -4.852 -7.264 1.00 0.00 O ATOM 443 CB TRP A 115 27.849 -7.659 -5.818 1.00 0.00 C ATOM 444 CG TRP A 115 28.016 -9.122 -6.076 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.539 -10.024 -5.228 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.704 -9.866 -7.288 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.589 -11.271 -5.808 1.00 0.00 N ATOM 448 CE2 TRP A 115 28.084 -11.231 -7.096 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.145 -9.528 -8.542 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.925 -12.198 -8.092 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.979 -10.501 -9.546 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.375 -11.827 -9.325 1.00 0.00 C ATOM 0 H TRP A 115 30.237 -7.631 -5.426 1.00 0.00 H new ATOM 0 HA TRP A 115 28.648 -7.091 -7.717 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.040 -7.455 -4.764 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.816 -7.374 -6.016 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.875 -9.800 -4.226 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.949 -12.109 -5.352 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.841 -8.509 -8.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 28.223 -13.220 -7.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.543 -10.223 -10.494 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.256 -12.563 -10.106 1.00 0.00 H new ATOM 463 N SER A 116 29.199 -4.569 -5.772 1.00 0.00 N ATOM 464 CA SER A 116 29.017 -3.134 -5.664 1.00 0.00 C ATOM 465 C SER A 116 29.368 -2.480 -7.004 1.00 0.00 C ATOM 466 O SER A 116 28.676 -1.571 -7.453 1.00 0.00 O ATOM 467 CB SER A 116 29.909 -2.595 -4.545 1.00 0.00 C ATOM 468 OG SER A 116 29.713 -3.359 -3.375 1.00 0.00 O ATOM 0 H SER A 116 29.939 -4.944 -5.178 1.00 0.00 H new ATOM 0 HA SER A 116 27.980 -2.902 -5.423 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.955 -2.637 -4.848 1.00 0.00 H new ATOM 0 HB3 SER A 116 29.675 -1.548 -4.352 1.00 0.00 H new ATOM 0 HG SER A 116 30.286 -3.014 -2.659 1.00 0.00 H new ATOM 474 N VAL A 117 30.449 -2.955 -7.642 1.00 0.00 N ATOM 475 CA VAL A 117 30.891 -2.427 -8.926 1.00 0.00 C ATOM 476 C VAL A 117 29.850 -2.756 -9.995 1.00 0.00 C ATOM 477 O VAL A 117 29.441 -1.879 -10.754 1.00 0.00 O ATOM 478 CB VAL A 117 32.263 -3.027 -9.281 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.686 -2.577 -10.682 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.307 -2.558 -8.263 1.00 0.00 C ATOM 0 H VAL A 117 31.032 -3.710 -7.280 1.00 0.00 H new ATOM 0 HA VAL A 117 30.995 -1.343 -8.871 1.00 0.00 H new ATOM 0 HB VAL A 117 32.190 -4.114 -9.259 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.658 -3.007 -10.924 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.949 -2.914 -11.411 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.753 -1.489 -10.710 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.278 -2.984 -8.515 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.371 -1.470 -8.283 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.015 -2.886 -7.265 1.00 0.00 H new ATOM 490 N ILE A 118 29.419 -4.021 -10.048 1.00 0.00 N ATOM 491 CA ILE A 118 28.419 -4.458 -11.013 1.00 0.00 C ATOM 492 C ILE A 118 27.137 -3.633 -10.832 1.00 0.00 C ATOM 493 O ILE A 118 26.539 -3.189 -11.812 1.00 0.00 O ATOM 494 CB ILE A 118 28.159 -5.966 -10.823 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.405 -6.758 -11.265 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.951 -6.402 -11.666 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.388 -8.163 -10.660 1.00 0.00 C ATOM 0 H ILE A 118 29.753 -4.759 -9.428 1.00 0.00 H new ATOM 0 HA ILE A 118 28.776 -4.300 -12.031 1.00 0.00 H new ATOM 0 HB ILE A 118 27.950 -6.164 -9.772 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.434 -6.824 -12.353 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.307 -6.232 -10.953 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.775 -7.468 -11.525 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.068 -5.844 -11.353 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.151 -6.203 -12.719 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.275 -8.709 -10.982 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.382 -8.091 -9.572 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.495 -8.692 -10.994 1.00 0.00 H new ATOM 509 N ALA A 119 26.721 -3.427 -9.574 1.00 0.00 N ATOM 510 CA ALA A 119 25.518 -2.665 -9.265 1.00 0.00 C ATOM 511 C ALA A 119 25.670 -1.205 -9.703 1.00 0.00 C ATOM 512 O ALA A 119 24.724 -0.618 -10.222 1.00 0.00 O ATOM 513 CB ALA A 119 25.241 -2.747 -7.764 1.00 0.00 C ATOM 0 H ALA A 119 27.210 -3.784 -8.753 1.00 0.00 H new ATOM 0 HA ALA A 119 24.677 -3.091 -9.812 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.342 -2.178 -7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.097 -3.789 -7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.087 -2.333 -7.215 1.00 0.00 H new ATOM 519 N LYS A 120 26.860 -0.616 -9.495 1.00 0.00 N ATOM 520 CA LYS A 120 27.111 0.774 -9.871 1.00 0.00 C ATOM 521 C LYS A 120 26.885 0.977 -11.371 1.00 0.00 C ATOM 522 O LYS A 120 26.568 2.087 -11.798 1.00 0.00 O ATOM 523 CB LYS A 120 28.541 1.174 -9.483 1.00 0.00 C ATOM 524 CG LYS A 120 28.562 1.686 -8.036 1.00 0.00 C ATOM 525 CD LYS A 120 29.907 2.357 -7.729 1.00 0.00 C ATOM 526 CE LYS A 120 31.042 1.332 -7.810 1.00 0.00 C ATOM 527 NZ LYS A 120 32.309 1.907 -7.322 1.00 0.00 N ATOM 0 H LYS A 120 27.659 -1.086 -9.068 1.00 0.00 H new ATOM 0 HA LYS A 120 26.410 1.412 -9.333 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.208 0.318 -9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.908 1.947 -10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 120 27.750 2.397 -7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.395 0.858 -7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.087 3.166 -8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 120 29.880 2.803 -6.735 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.786 0.453 -7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.163 0.999 -8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 33.062 1.193 -7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 32.563 2.732 -7.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.197 2.203 -6.331 1.00 0.00 H new ATOM 541 N HIS A 121 27.039 -0.086 -12.172 1.00 0.00 N ATOM 542 CA HIS A 121 26.827 -0.001 -13.607 1.00 0.00 C ATOM 543 C HIS A 121 25.360 -0.269 -13.891 1.00 0.00 C ATOM 544 O HIS A 121 24.728 0.437 -14.676 1.00 0.00 O ATOM 545 CB HIS A 121 27.712 -1.023 -14.322 1.00 0.00 C ATOM 546 CG HIS A 121 29.157 -0.932 -13.914 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.773 0.268 -13.577 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.133 -1.880 -13.777 1.00 0.00 C ATOM 549 CE1 HIS A 121 31.051 -0.027 -13.267 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.338 -1.325 -13.372 1.00 0.00 N ATOM 0 H HIS A 121 27.310 -1.012 -11.841 1.00 0.00 H new ATOM 0 HA HIS A 121 27.093 0.991 -13.973 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.343 -2.027 -14.111 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.634 -0.874 -15.399 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.341 1.192 -13.566 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.984 -2.934 -13.962 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.773 0.716 -12.963 1.00 0.00 H new ATOM 558 N LEU A 122 24.826 -1.298 -13.232 1.00 0.00 N ATOM 559 CA LEU A 122 23.441 -1.685 -13.371 1.00 0.00 C ATOM 560 C LEU A 122 22.577 -0.779 -12.490 1.00 0.00 C ATOM 561 O LEU A 122 21.965 -1.234 -11.520 1.00 0.00 O ATOM 562 CB LEU A 122 23.327 -3.156 -12.963 1.00 0.00 C ATOM 563 CG LEU A 122 22.033 -3.775 -13.490 1.00 0.00 C ATOM 564 CD1 LEU A 122 22.022 -3.764 -15.023 1.00 0.00 C ATOM 565 CD2 LEU A 122 21.965 -5.212 -12.996 1.00 0.00 C ATOM 0 H LEU A 122 25.354 -1.884 -12.585 1.00 0.00 H new ATOM 0 HA LEU A 122 23.091 -1.574 -14.397 1.00 0.00 H new ATOM 0 HB2 LEU A 122 24.182 -3.711 -13.349 1.00 0.00 H new ATOM 0 HB3 LEU A 122 23.357 -3.239 -11.877 1.00 0.00 H new ATOM 0 HG LEU A 122 21.177 -3.202 -13.134 1.00 0.00 H new ATOM 0 HD11 LEU A 122 21.094 -4.208 -15.383 1.00 0.00 H new ATOM 0 HD12 LEU A 122 22.095 -2.737 -15.380 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.869 -4.339 -15.397 1.00 0.00 H new ATOM 0 HD21 LEU A 122 21.049 -5.678 -13.359 1.00 0.00 H new ATOM 0 HD22 LEU A 122 22.826 -5.766 -13.369 1.00 0.00 H new ATOM 0 HD23 LEU A 122 21.971 -5.223 -11.906 1.00 0.00 H new ATOM 577 N LYS A 123 22.542 0.516 -12.837 1.00 0.00 N ATOM 578 CA LYS A 123 21.793 1.511 -12.084 1.00 0.00 C ATOM 579 C LYS A 123 20.356 1.037 -11.879 1.00 0.00 C ATOM 580 O LYS A 123 19.670 0.695 -12.841 1.00 0.00 O ATOM 581 CB LYS A 123 21.824 2.847 -12.836 1.00 0.00 C ATOM 582 CG LYS A 123 23.255 3.408 -12.862 1.00 0.00 C ATOM 583 CD LYS A 123 23.566 4.141 -11.547 1.00 0.00 C ATOM 584 CE LYS A 123 23.056 5.587 -11.609 1.00 0.00 C ATOM 585 NZ LYS A 123 23.902 6.415 -12.490 1.00 0.00 N ATOM 0 H LYS A 123 23.034 0.894 -13.647 1.00 0.00 H new ATOM 0 HA LYS A 123 22.249 1.649 -11.104 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.461 2.708 -13.854 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.155 3.560 -12.354 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.968 2.597 -13.011 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.369 4.092 -13.703 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.098 3.619 -10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 123 24.641 4.135 -11.365 1.00 0.00 H new ATOM 0 HE2 LYS A 123 22.029 5.598 -11.973 1.00 0.00 H new ATOM 0 HE3 LYS A 123 23.044 6.014 -10.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 23.749 7.421 -12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 24.902 6.176 -12.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 23.652 6.233 -13.483 1.00 0.00 H new ATOM 599 N GLY A 124 19.917 1.016 -10.615 1.00 0.00 N ATOM 600 CA GLY A 124 18.584 0.561 -10.252 1.00 0.00 C ATOM 601 C GLY A 124 18.691 -0.608 -9.277 1.00 0.00 C ATOM 602 O GLY A 124 17.826 -0.785 -8.420 1.00 0.00 O ATOM 0 H GLY A 124 20.482 1.316 -9.820 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.021 1.377 -9.798 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.038 0.255 -11.144 1.00 0.00 H new ATOM 606 N ARG A 125 19.763 -1.404 -9.411 1.00 0.00 N ATOM 607 CA ARG A 125 19.998 -2.549 -8.545 1.00 0.00 C ATOM 608 C ARG A 125 20.991 -2.173 -7.447 1.00 0.00 C ATOM 609 O ARG A 125 21.548 -1.076 -7.455 1.00 0.00 O ATOM 610 CB ARG A 125 20.545 -3.712 -9.381 1.00 0.00 C ATOM 611 CG ARG A 125 19.551 -4.098 -10.482 1.00 0.00 C ATOM 612 CD ARG A 125 18.244 -4.613 -9.874 1.00 0.00 C ATOM 613 NE ARG A 125 17.468 -5.319 -10.893 1.00 0.00 N ATOM 614 CZ ARG A 125 16.188 -5.677 -10.742 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.626 -5.657 -9.533 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.474 -6.058 -11.809 1.00 0.00 N ATOM 0 H ARG A 125 20.482 -1.266 -10.121 1.00 0.00 H new ATOM 0 HA ARG A 125 19.061 -2.853 -8.078 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.499 -3.430 -9.827 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.736 -4.571 -8.738 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.348 -3.234 -11.115 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.988 -4.865 -11.121 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.459 -5.281 -9.040 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.665 -3.780 -9.475 1.00 0.00 H new ATOM 0 HE ARG A 125 17.931 -5.552 -11.772 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.172 -5.368 -8.721 1.00 0.00 H new ATOM 0 HH12 ARG A 125 14.650 -5.930 -9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 125 15.906 -6.074 -12.733 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.498 -6.332 -11.698 1.00 0.00 H new ATOM 630 N ILE A 126 21.205 -3.098 -6.506 1.00 0.00 N ATOM 631 CA ILE A 126 22.131 -2.900 -5.398 1.00 0.00 C ATOM 632 C ILE A 126 23.065 -4.107 -5.308 1.00 0.00 C ATOM 633 O ILE A 126 22.953 -5.038 -6.109 1.00 0.00 O ATOM 634 CB ILE A 126 21.339 -2.711 -4.091 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.395 -3.907 -3.870 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.526 -1.413 -4.170 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.807 -3.857 -2.458 1.00 0.00 C ATOM 0 H ILE A 126 20.738 -4.005 -6.495 1.00 0.00 H new ATOM 0 HA ILE A 126 22.732 -2.005 -5.562 1.00 0.00 H new ATOM 0 HB ILE A 126 22.035 -2.652 -3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.593 -3.888 -4.608 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.938 -4.841 -4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 126 19.965 -1.278 -3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.201 -0.569 -4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.833 -1.468 -5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.141 -4.707 -2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.614 -3.898 -1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.247 -2.931 -2.330 1.00 0.00 H new ATOM 649 N GLY A 127 23.982 -4.094 -4.331 1.00 0.00 N ATOM 650 CA GLY A 127 24.927 -5.187 -4.137 1.00 0.00 C ATOM 651 C GLY A 127 24.247 -6.359 -3.427 1.00 0.00 C ATOM 652 O GLY A 127 24.734 -6.836 -2.405 1.00 0.00 O ATOM 0 H GLY A 127 24.084 -3.331 -3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.317 -5.514 -5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.777 -4.841 -3.549 1.00 0.00 H new ATOM 656 N LYS A 128 23.122 -6.817 -3.982 1.00 0.00 N ATOM 657 CA LYS A 128 22.369 -7.934 -3.436 1.00 0.00 C ATOM 658 C LYS A 128 21.525 -8.537 -4.555 1.00 0.00 C ATOM 659 O LYS A 128 21.545 -9.741 -4.762 1.00 0.00 O ATOM 660 CB LYS A 128 21.480 -7.455 -2.275 1.00 0.00 C ATOM 661 CG LYS A 128 21.361 -8.550 -1.199 1.00 0.00 C ATOM 662 CD LYS A 128 20.884 -9.871 -1.823 1.00 0.00 C ATOM 663 CE LYS A 128 20.441 -10.842 -0.722 1.00 0.00 C ATOM 664 NZ LYS A 128 18.971 -10.899 -0.619 1.00 0.00 N ATOM 0 H LYS A 128 22.711 -6.418 -4.826 1.00 0.00 H new ATOM 0 HA LYS A 128 23.047 -8.692 -3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.901 -6.550 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.490 -7.197 -2.650 1.00 0.00 H new ATOM 0 HG2 LYS A 128 22.326 -8.698 -0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 128 20.661 -8.233 -0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 128 20.056 -9.682 -2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 128 21.687 -10.316 -2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 128 20.832 -11.837 -0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 128 20.863 -10.529 0.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.703 -11.484 0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 18.594 -9.938 -0.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 18.578 -11.316 -1.487 1.00 0.00 H new ATOM 678 N GLN A 129 20.789 -7.683 -5.282 1.00 0.00 N ATOM 679 CA GLN A 129 19.960 -8.124 -6.395 1.00 0.00 C ATOM 680 C GLN A 129 20.805 -8.921 -7.380 1.00 0.00 C ATOM 681 O GLN A 129 20.461 -10.043 -7.729 1.00 0.00 O ATOM 682 CB GLN A 129 19.363 -6.901 -7.099 1.00 0.00 C ATOM 683 CG GLN A 129 18.229 -6.305 -6.267 1.00 0.00 C ATOM 684 CD GLN A 129 17.050 -7.264 -6.190 1.00 0.00 C ATOM 685 OE1 GLN A 129 16.686 -7.730 -5.111 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.454 -7.559 -7.340 1.00 0.00 N ATOM 0 H GLN A 129 20.757 -6.678 -5.111 1.00 0.00 H new ATOM 0 HA GLN A 129 19.155 -8.757 -6.020 1.00 0.00 H new ATOM 0 HB2 GLN A 129 20.138 -6.151 -7.258 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.989 -7.187 -8.082 1.00 0.00 H new ATOM 0 HG2 GLN A 129 18.588 -6.082 -5.262 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.907 -5.361 -6.707 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.792 -7.147 -8.210 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.658 -8.197 -7.353 1.00 0.00 H new ATOM 695 N CYS A 130 21.908 -8.321 -7.822 1.00 0.00 N ATOM 696 CA CYS A 130 22.821 -8.946 -8.770 1.00 0.00 C ATOM 697 C CYS A 130 23.327 -10.284 -8.224 1.00 0.00 C ATOM 698 O CYS A 130 23.220 -11.309 -8.894 1.00 0.00 O ATOM 699 CB CYS A 130 23.996 -7.998 -9.031 1.00 0.00 C ATOM 700 SG CYS A 130 23.369 -6.455 -9.740 1.00 0.00 S ATOM 0 H CYS A 130 22.192 -7.386 -7.531 1.00 0.00 H new ATOM 0 HA CYS A 130 22.295 -9.140 -9.705 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.529 -7.795 -8.102 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.709 -8.462 -9.712 1.00 0.00 H new ATOM 0 HG CYS A 130 24.361 -5.645 -9.962 1.00 0.00 H new ATOM 706 N ARG A 131 23.882 -10.262 -7.006 1.00 0.00 N ATOM 707 CA ARG A 131 24.429 -11.454 -6.367 1.00 0.00 C ATOM 708 C ARG A 131 23.378 -12.566 -6.321 1.00 0.00 C ATOM 709 O ARG A 131 23.658 -13.700 -6.693 1.00 0.00 O ATOM 710 CB ARG A 131 24.901 -11.076 -4.954 1.00 0.00 C ATOM 711 CG ARG A 131 25.721 -12.217 -4.329 1.00 0.00 C ATOM 712 CD ARG A 131 24.794 -13.278 -3.713 1.00 0.00 C ATOM 713 NE ARG A 131 25.293 -13.726 -2.404 1.00 0.00 N ATOM 714 CZ ARG A 131 26.425 -14.438 -2.245 1.00 0.00 C ATOM 715 NH1 ARG A 131 27.163 -14.782 -3.309 1.00 0.00 N ATOM 716 NH2 ARG A 131 26.814 -14.805 -1.017 1.00 0.00 N ATOM 0 H ARG A 131 23.962 -9.417 -6.441 1.00 0.00 H new ATOM 0 HA ARG A 131 25.275 -11.832 -6.941 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.505 -10.170 -4.998 1.00 0.00 H new ATOM 0 HB3 ARG A 131 24.039 -10.855 -4.325 1.00 0.00 H new ATOM 0 HG2 ARG A 131 26.353 -12.676 -5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.384 -11.817 -3.562 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.791 -12.867 -3.601 1.00 0.00 H new ATOM 0 HD3 ARG A 131 24.716 -14.131 -4.387 1.00 0.00 H new ATOM 0 HE ARG A 131 24.753 -13.485 -1.573 1.00 0.00 H new ATOM 0 HH11 ARG A 131 26.868 -14.505 -4.245 1.00 0.00 H new ATOM 0 HH12 ARG A 131 28.020 -15.321 -3.183 1.00 0.00 H new ATOM 0 HH21 ARG A 131 26.253 -14.545 -0.205 1.00 0.00 H new ATOM 0 HH22 ARG A 131 27.671 -15.344 -0.893 1.00 0.00 H new ATOM 730 N GLU A 132 22.175 -12.232 -5.861 1.00 0.00 N ATOM 731 CA GLU A 132 21.085 -13.186 -5.746 1.00 0.00 C ATOM 732 C GLU A 132 20.718 -13.729 -7.124 1.00 0.00 C ATOM 733 O GLU A 132 20.713 -14.938 -7.329 1.00 0.00 O ATOM 734 CB GLU A 132 19.897 -12.476 -5.085 1.00 0.00 C ATOM 735 CG GLU A 132 18.863 -13.489 -4.599 1.00 0.00 C ATOM 736 CD GLU A 132 17.718 -12.774 -3.894 1.00 0.00 C ATOM 737 OE1 GLU A 132 17.989 -12.170 -2.830 1.00 0.00 O ATOM 738 OE2 GLU A 132 16.592 -12.830 -4.432 1.00 0.00 O ATOM 0 H GLU A 132 21.932 -11.289 -5.558 1.00 0.00 H new ATOM 0 HA GLU A 132 21.380 -14.037 -5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 132 20.247 -11.876 -4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.435 -11.791 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.479 -14.061 -5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 132 19.332 -14.200 -3.919 1.00 0.00 H new ATOM 745 N ARG A 133 20.421 -12.833 -8.069 1.00 0.00 N ATOM 746 CA ARG A 133 20.066 -13.222 -9.426 1.00 0.00 C ATOM 747 C ARG A 133 21.090 -14.229 -9.962 1.00 0.00 C ATOM 748 O ARG A 133 20.729 -15.184 -10.652 1.00 0.00 O ATOM 749 CB ARG A 133 20.020 -11.959 -10.309 1.00 0.00 C ATOM 750 CG ARG A 133 19.448 -12.278 -11.693 1.00 0.00 C ATOM 751 CD ARG A 133 17.919 -12.291 -11.652 1.00 0.00 C ATOM 752 NE ARG A 133 17.384 -12.610 -12.987 1.00 0.00 N ATOM 753 CZ ARG A 133 16.154 -13.110 -13.201 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.347 -13.373 -12.175 1.00 0.00 N ATOM 755 NH2 ARG A 133 15.737 -13.338 -14.450 1.00 0.00 N ATOM 0 H ARG A 133 20.421 -11.825 -7.911 1.00 0.00 H new ATOM 0 HA ARG A 133 19.086 -13.699 -9.437 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.410 -11.196 -9.826 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.024 -11.546 -10.413 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.792 -11.537 -12.415 1.00 0.00 H new ATOM 0 HG3 ARG A 133 19.817 -13.247 -12.031 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.572 -13.027 -10.926 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.547 -11.320 -11.324 1.00 0.00 H new ATOM 0 HE ARG A 133 17.981 -12.442 -13.796 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.661 -13.195 -11.221 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.415 -13.752 -12.343 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.351 -13.133 -15.238 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.805 -13.717 -14.615 1.00 0.00 H new ATOM 769 N TRP A 134 22.368 -14.008 -9.642 1.00 0.00 N ATOM 770 CA TRP A 134 23.442 -14.854 -10.120 1.00 0.00 C ATOM 771 C TRP A 134 23.480 -16.204 -9.392 1.00 0.00 C ATOM 772 O TRP A 134 23.362 -17.249 -10.024 1.00 0.00 O ATOM 773 CB TRP A 134 24.772 -14.115 -9.950 1.00 0.00 C ATOM 774 CG TRP A 134 25.845 -14.624 -10.843 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.962 -15.267 -10.465 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.906 -14.555 -12.288 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.717 -15.614 -11.559 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.103 -15.198 -12.725 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.066 -14.016 -13.282 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.438 -15.307 -14.075 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.396 -14.121 -14.636 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.577 -14.774 -15.037 1.00 0.00 C ATOM 0 H TRP A 134 22.676 -13.239 -9.047 1.00 0.00 H new ATOM 0 HA TRP A 134 23.267 -15.069 -11.174 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.618 -13.054 -10.147 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.099 -14.203 -8.914 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.230 -15.482 -9.441 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.607 -16.110 -11.517 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.154 -13.514 -12.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.353 -15.798 -14.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.739 -13.697 -15.381 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.817 -14.863 -16.086 1.00 0.00 H new ATOM 793 N HIS A 135 23.666 -16.183 -8.067 1.00 0.00 N ATOM 794 CA HIS A 135 23.827 -17.407 -7.279 1.00 0.00 C ATOM 795 C HIS A 135 22.501 -18.163 -7.077 1.00 0.00 C ATOM 796 O HIS A 135 22.342 -18.860 -6.076 1.00 0.00 O ATOM 797 CB HIS A 135 24.459 -17.041 -5.930 1.00 0.00 C ATOM 798 CG HIS A 135 25.901 -16.619 -6.066 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.960 -17.472 -5.775 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.493 -15.446 -6.460 1.00 0.00 C ATOM 801 CE1 HIS A 135 28.093 -16.777 -6.003 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.876 -15.530 -6.422 1.00 0.00 N ATOM 0 H HIS A 135 23.709 -15.325 -7.517 1.00 0.00 H new ATOM 0 HA HIS A 135 24.478 -18.086 -7.829 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.889 -16.233 -5.472 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.396 -17.897 -5.258 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.948 -14.564 -6.763 1.00 0.00 H new ATOM 0 HE1 HIS A 135 29.080 -17.190 -5.860 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.561 -14.812 -6.657 1.00 0.00 H new ATOM 810 N ASN A 136 21.562 -18.046 -8.026 1.00 0.00 N ATOM 811 CA ASN A 136 20.299 -18.777 -7.965 1.00 0.00 C ATOM 812 C ASN A 136 19.956 -19.326 -9.337 1.00 0.00 C ATOM 813 O ASN A 136 19.895 -20.538 -9.531 1.00 0.00 O ATOM 814 CB ASN A 136 19.173 -17.856 -7.487 1.00 0.00 C ATOM 815 CG ASN A 136 19.207 -17.693 -5.980 1.00 0.00 C ATOM 816 OD1 ASN A 136 18.446 -18.338 -5.264 1.00 0.00 O ATOM 817 ND2 ASN A 136 20.089 -16.832 -5.502 1.00 0.00 N ATOM 0 H ASN A 136 21.659 -17.448 -8.847 1.00 0.00 H new ATOM 0 HA ASN A 136 20.407 -19.601 -7.259 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.269 -16.881 -7.964 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.210 -18.266 -7.790 1.00 0.00 H new ATOM 0 HD21 ASN A 136 20.159 -16.679 -4.496 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.699 -16.320 -6.139 1.00 0.00 H new ATOM 824 N HIS A 137 19.712 -18.422 -10.280 1.00 0.00 N ATOM 825 CA HIS A 137 19.285 -18.801 -11.623 1.00 0.00 C ATOM 826 C HIS A 137 20.447 -19.308 -12.480 1.00 0.00 C ATOM 827 O HIS A 137 20.418 -20.452 -12.928 1.00 0.00 O ATOM 828 CB HIS A 137 18.611 -17.609 -12.300 1.00 0.00 C ATOM 829 CG HIS A 137 17.540 -16.993 -11.452 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.355 -17.644 -11.132 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.453 -15.779 -10.842 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.643 -16.794 -10.364 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.261 -15.631 -10.149 1.00 0.00 N ATOM 0 H HIS A 137 19.803 -17.416 -10.138 1.00 0.00 H new ATOM 0 HA HIS A 137 18.576 -19.623 -11.527 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.363 -16.855 -12.533 1.00 0.00 H new ATOM 0 HB3 HIS A 137 18.179 -17.931 -13.247 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.221 -15.021 -10.892 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.669 -17.031 -9.963 1.00 0.00 H new ATOM 0 HE2 HIS A 137 15.936 -14.830 -9.608 1.00 0.00 H new ATOM 841 N LEU A 138 21.455 -18.456 -12.735 1.00 0.00 N ATOM 842 CA LEU A 138 22.554 -18.819 -13.629 1.00 0.00 C ATOM 843 C LEU A 138 23.903 -18.318 -13.111 1.00 0.00 C ATOM 844 O LEU A 138 24.043 -17.159 -12.727 1.00 0.00 O ATOM 845 CB LEU A 138 22.276 -18.248 -15.031 1.00 0.00 C ATOM 846 CG LEU A 138 21.870 -16.761 -14.948 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.756 -15.931 -15.872 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.409 -16.599 -15.375 1.00 0.00 C ATOM 0 H LEU A 138 21.526 -17.520 -12.336 1.00 0.00 H new ATOM 0 HA LEU A 138 22.612 -19.907 -13.674 1.00 0.00 H new ATOM 0 HB2 LEU A 138 23.165 -18.353 -15.654 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.482 -18.820 -15.510 1.00 0.00 H new ATOM 0 HG LEU A 138 21.991 -16.418 -13.921 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.465 -14.882 -15.810 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.798 -16.037 -15.569 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.639 -16.280 -16.898 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.127 -15.548 -15.315 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.289 -16.949 -16.400 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.770 -17.185 -14.714 1.00 0.00 H new