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 110 TYR OH : rot -126:sc= 1.28 USER MOD Set 1.2: A 121 HIS : no HE2:sc= 1 K(o=2.3,f=-2.9) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.688 USER MOD Single : A 97 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.103) USER MOD Single : A 101 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.28) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0618) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0649) USER MOD Single : A 123 LYS NZ :NH3+ 161:sc= 1.23 (180deg=0.78) USER MOD Single : A 128 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0511) USER MOD Single : A 129 GLN : amide:sc= -0.0936 K(o=-0.094,f=-3.8!) USER MOD Single : A 130 CYS SG : rot 86:sc= 0.096 USER MOD Single : A 135 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.0044) USER MOD Single : A 136 ASN : amide:sc= 0.655 K(o=0.65,f=-0.88) USER MOD Single : A 137 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.414 -8.906 -13.142 1.00 0.00 N ATOM 85 CA TRP A 95 14.505 -8.633 -14.083 1.00 0.00 C ATOM 86 C TRP A 95 14.037 -8.861 -15.528 1.00 0.00 C ATOM 87 O TRP A 95 12.868 -9.164 -15.771 1.00 0.00 O ATOM 88 CB TRP A 95 15.720 -9.518 -13.753 1.00 0.00 C ATOM 89 CG TRP A 95 16.573 -9.040 -12.620 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.164 -8.818 -11.359 1.00 0.00 C ATOM 91 CD2 TRP A 95 18.000 -8.740 -12.619 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.207 -8.398 -10.569 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.377 -8.327 -11.302 1.00 0.00 C ATOM 94 CE3 TRP A 95 19.020 -8.776 -13.595 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.687 -7.964 -10.977 1.00 0.00 C ATOM 96 CZ3 TRP A 95 20.340 -8.408 -13.274 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.673 -8.000 -11.969 1.00 0.00 C ATOM 0 HA TRP A 95 14.803 -7.589 -13.986 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.364 -10.522 -13.520 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.342 -9.599 -14.645 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.150 -8.952 -11.013 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.129 -8.170 -9.578 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.784 -9.090 -14.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.935 -7.659 -9.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 21.104 -8.439 -14.036 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.688 -7.715 -11.734 1.00 0.00 H new ATOM 108 N THR A 96 14.964 -8.710 -16.486 1.00 0.00 N ATOM 109 CA THR A 96 14.676 -8.912 -17.900 1.00 0.00 C ATOM 110 C THR A 96 15.774 -9.784 -18.509 1.00 0.00 C ATOM 111 O THR A 96 16.845 -9.930 -17.922 1.00 0.00 O ATOM 112 CB THR A 96 14.587 -7.552 -18.627 1.00 0.00 C ATOM 113 OG1 THR A 96 15.862 -7.177 -19.107 1.00 0.00 O ATOM 114 CG2 THR A 96 14.071 -6.467 -17.676 1.00 0.00 C ATOM 0 H THR A 96 15.930 -8.445 -16.295 1.00 0.00 H new ATOM 0 HA THR A 96 13.715 -9.414 -18.013 1.00 0.00 H new ATOM 0 HB THR A 96 13.894 -7.655 -19.462 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.797 -6.315 -19.568 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.015 -5.516 -18.205 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.079 -6.741 -17.315 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.751 -6.372 -16.830 1.00 0.00 H new ATOM 122 N LYS A 97 15.512 -10.359 -19.688 1.00 0.00 N ATOM 123 CA LYS A 97 16.487 -11.200 -20.370 1.00 0.00 C ATOM 124 C LYS A 97 17.743 -10.382 -20.687 1.00 0.00 C ATOM 125 O LYS A 97 18.860 -10.885 -20.576 1.00 0.00 O ATOM 126 CB LYS A 97 15.860 -11.761 -21.651 1.00 0.00 C ATOM 127 CG LYS A 97 16.786 -12.813 -22.268 1.00 0.00 C ATOM 128 CD LYS A 97 16.119 -13.413 -23.512 1.00 0.00 C ATOM 129 CE LYS A 97 16.977 -14.555 -24.069 1.00 0.00 C ATOM 130 NZ LYS A 97 18.277 -14.060 -24.559 1.00 0.00 N ATOM 0 H LYS A 97 14.628 -10.253 -20.186 1.00 0.00 H new ATOM 0 HA LYS A 97 16.776 -12.032 -19.728 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.890 -12.205 -21.427 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.685 -10.955 -22.364 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.741 -12.360 -22.536 1.00 0.00 H new ATOM 0 HG3 LYS A 97 16.998 -13.597 -21.542 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.126 -13.784 -23.259 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.988 -12.642 -24.272 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.140 -15.302 -23.292 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.444 -15.050 -24.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.763 -14.818 -25.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.124 -13.248 -25.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.862 -13.764 -23.752 1.00 0.00 H new ATOM 144 N GLU A 98 17.549 -9.118 -21.078 1.00 0.00 N ATOM 145 CA GLU A 98 18.650 -8.225 -21.401 1.00 0.00 C ATOM 146 C GLU A 98 19.438 -7.911 -20.131 1.00 0.00 C ATOM 147 O GLU A 98 20.665 -7.918 -20.142 1.00 0.00 O ATOM 148 CB GLU A 98 18.090 -6.941 -22.021 1.00 0.00 C ATOM 149 CG GLU A 98 19.232 -6.097 -22.595 1.00 0.00 C ATOM 150 CD GLU A 98 18.796 -4.651 -22.774 1.00 0.00 C ATOM 151 OE1 GLU A 98 18.110 -4.385 -23.780 1.00 0.00 O ATOM 152 OE2 GLU A 98 19.159 -3.837 -21.894 1.00 0.00 O ATOM 0 H GLU A 98 16.627 -8.694 -21.177 1.00 0.00 H new ATOM 0 HA GLU A 98 19.320 -8.699 -22.118 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.378 -7.188 -22.808 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.547 -6.370 -21.268 1.00 0.00 H new ATOM 0 HG2 GLU A 98 20.094 -6.142 -21.929 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.548 -6.508 -23.554 1.00 0.00 H new ATOM 159 N GLU A 99 18.721 -7.636 -19.038 1.00 0.00 N ATOM 160 CA GLU A 99 19.338 -7.328 -17.760 1.00 0.00 C ATOM 161 C GLU A 99 20.201 -8.510 -17.313 1.00 0.00 C ATOM 162 O GLU A 99 21.343 -8.326 -16.894 1.00 0.00 O ATOM 163 CB GLU A 99 18.234 -7.026 -16.745 1.00 0.00 C ATOM 164 CG GLU A 99 18.771 -6.123 -15.637 1.00 0.00 C ATOM 165 CD GLU A 99 17.727 -5.936 -14.544 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.526 -5.985 -14.884 1.00 0.00 O ATOM 167 OE2 GLU A 99 18.146 -5.748 -13.386 1.00 0.00 O ATOM 0 H GLU A 99 17.701 -7.622 -19.021 1.00 0.00 H new ATOM 0 HA GLU A 99 19.985 -6.454 -17.844 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.394 -6.542 -17.243 1.00 0.00 H new ATOM 0 HB3 GLU A 99 17.859 -7.956 -16.317 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.676 -6.558 -15.212 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.048 -5.154 -16.052 1.00 0.00 H new ATOM 174 N ASP A 100 19.650 -9.727 -17.417 1.00 0.00 N ATOM 175 CA ASP A 100 20.372 -10.940 -17.064 1.00 0.00 C ATOM 176 C ASP A 100 21.627 -11.054 -17.929 1.00 0.00 C ATOM 177 O ASP A 100 22.719 -11.277 -17.413 1.00 0.00 O ATOM 178 CB ASP A 100 19.460 -12.158 -17.275 1.00 0.00 C ATOM 179 CG ASP A 100 18.724 -12.541 -15.999 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.406 -12.706 -14.966 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.486 -12.666 -16.080 1.00 0.00 O ATOM 0 H ASP A 100 18.698 -9.890 -17.746 1.00 0.00 H new ATOM 0 HA ASP A 100 20.670 -10.903 -16.016 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.736 -11.939 -18.060 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.056 -13.003 -17.618 1.00 0.00 H new ATOM 186 N GLN A 101 21.466 -10.897 -19.251 1.00 0.00 N ATOM 187 CA GLN A 101 22.583 -10.975 -20.183 1.00 0.00 C ATOM 188 C GLN A 101 23.656 -9.954 -19.800 1.00 0.00 C ATOM 189 O GLN A 101 24.848 -10.253 -19.848 1.00 0.00 O ATOM 190 CB GLN A 101 22.070 -10.727 -21.609 1.00 0.00 C ATOM 191 CG GLN A 101 23.210 -10.894 -22.624 1.00 0.00 C ATOM 192 CD GLN A 101 23.795 -12.302 -22.574 1.00 0.00 C ATOM 193 OE1 GLN A 101 24.947 -12.487 -22.193 1.00 0.00 O ATOM 194 NE2 GLN A 101 22.997 -13.297 -22.961 1.00 0.00 N ATOM 0 H GLN A 101 20.565 -10.715 -19.693 1.00 0.00 H new ATOM 0 HA GLN A 101 23.032 -11.967 -20.140 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.265 -11.424 -21.839 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.653 -9.723 -21.683 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.839 -10.687 -23.628 1.00 0.00 H new ATOM 0 HG3 GLN A 101 23.993 -10.165 -22.417 1.00 0.00 H new ATOM 0 HE21 GLN A 101 22.046 -13.097 -23.270 1.00 0.00 H new ATOM 0 HE22 GLN A 101 23.337 -14.258 -22.948 1.00 0.00 H new ATOM 203 N ARG A 102 23.233 -8.749 -19.416 1.00 0.00 N ATOM 204 CA ARG A 102 24.156 -7.704 -19.017 1.00 0.00 C ATOM 205 C ARG A 102 24.916 -8.145 -17.763 1.00 0.00 C ATOM 206 O ARG A 102 26.110 -7.889 -17.644 1.00 0.00 O ATOM 207 CB ARG A 102 23.379 -6.405 -18.782 1.00 0.00 C ATOM 208 CG ARG A 102 24.355 -5.234 -18.645 1.00 0.00 C ATOM 209 CD ARG A 102 23.587 -3.907 -18.665 1.00 0.00 C ATOM 210 NE ARG A 102 23.235 -3.517 -20.044 1.00 0.00 N ATOM 211 CZ ARG A 102 21.989 -3.598 -20.561 1.00 0.00 C ATOM 212 NH1 ARG A 102 20.995 -4.194 -19.888 1.00 0.00 N ATOM 213 NH2 ARG A 102 21.738 -3.077 -21.766 1.00 0.00 N ATOM 0 H ARG A 102 22.250 -8.479 -19.375 1.00 0.00 H new ATOM 0 HA ARG A 102 24.887 -7.523 -19.805 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.695 -6.225 -19.611 1.00 0.00 H new ATOM 0 HB3 ARG A 102 22.772 -6.492 -17.881 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.917 -5.325 -17.715 1.00 0.00 H new ATOM 0 HG3 ARG A 102 25.080 -5.257 -19.459 1.00 0.00 H new ATOM 0 HD2 ARG A 102 22.680 -3.999 -18.067 1.00 0.00 H new ATOM 0 HD3 ARG A 102 24.193 -3.126 -18.206 1.00 0.00 H new ATOM 0 HE ARG A 102 23.979 -3.164 -20.645 1.00 0.00 H new ATOM 0 HH11 ARG A 102 21.172 -4.597 -18.968 1.00 0.00 H new ATOM 0 HH12 ARG A 102 20.061 -4.245 -20.296 1.00 0.00 H new ATOM 0 HH21 ARG A 102 22.485 -2.621 -22.290 1.00 0.00 H new ATOM 0 HH22 ARG A 102 20.800 -3.135 -22.161 1.00 0.00 H new ATOM 227 N VAL A 103 24.223 -8.820 -16.831 1.00 0.00 N ATOM 228 CA VAL A 103 24.854 -9.315 -15.613 1.00 0.00 C ATOM 229 C VAL A 103 25.915 -10.362 -15.980 1.00 0.00 C ATOM 230 O VAL A 103 27.003 -10.363 -15.404 1.00 0.00 O ATOM 231 CB VAL A 103 23.772 -9.873 -14.651 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.028 -11.342 -14.303 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.777 -9.058 -13.357 1.00 0.00 C ATOM 0 H VAL A 103 23.228 -9.031 -16.905 1.00 0.00 H new ATOM 0 HA VAL A 103 25.360 -8.505 -15.089 1.00 0.00 H new ATOM 0 HB VAL A 103 22.808 -9.799 -15.155 1.00 0.00 H new ATOM 0 HG11 VAL A 103 23.250 -11.697 -13.628 1.00 0.00 H new ATOM 0 HG12 VAL A 103 24.017 -11.939 -15.215 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.000 -11.437 -13.818 1.00 0.00 H new ATOM 0 HG21 VAL A 103 23.018 -9.447 -12.679 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.757 -9.131 -12.885 1.00 0.00 H new ATOM 0 HG23 VAL A 103 23.560 -8.014 -13.584 1.00 0.00 H new ATOM 243 N ILE A 104 25.604 -11.246 -16.946 1.00 0.00 N ATOM 244 CA ILE A 104 26.550 -12.264 -17.394 1.00 0.00 C ATOM 245 C ILE A 104 27.818 -11.577 -17.901 1.00 0.00 C ATOM 246 O ILE A 104 28.923 -11.936 -17.501 1.00 0.00 O ATOM 247 CB ILE A 104 25.914 -13.123 -18.507 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.808 -14.014 -17.927 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.988 -14.004 -19.162 1.00 0.00 C ATOM 250 CD1 ILE A 104 24.021 -14.682 -19.059 1.00 0.00 C ATOM 0 H ILE A 104 24.704 -11.269 -17.426 1.00 0.00 H new ATOM 0 HA ILE A 104 26.807 -12.921 -16.563 1.00 0.00 H new ATOM 0 HB ILE A 104 25.480 -12.459 -19.255 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.245 -14.774 -17.280 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.136 -13.418 -17.310 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.534 -14.608 -19.947 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.764 -13.372 -19.594 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.430 -14.658 -18.410 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.239 -15.312 -18.636 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.569 -13.916 -19.689 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.695 -15.294 -19.659 1.00 0.00 H new ATOM 262 N GLU A 105 27.647 -10.587 -18.786 1.00 0.00 N ATOM 263 CA GLU A 105 28.764 -9.854 -19.362 1.00 0.00 C ATOM 264 C GLU A 105 29.589 -9.185 -18.259 1.00 0.00 C ATOM 265 O GLU A 105 30.810 -9.322 -18.229 1.00 0.00 O ATOM 266 CB GLU A 105 28.221 -8.812 -20.346 1.00 0.00 C ATOM 267 CG GLU A 105 29.379 -8.130 -21.080 1.00 0.00 C ATOM 268 CD GLU A 105 28.856 -7.105 -22.079 1.00 0.00 C ATOM 269 OE1 GLU A 105 28.328 -6.074 -21.609 1.00 0.00 O ATOM 270 OE2 GLU A 105 28.993 -7.373 -23.292 1.00 0.00 O ATOM 0 H GLU A 105 26.733 -10.278 -19.117 1.00 0.00 H new ATOM 0 HA GLU A 105 29.419 -10.543 -19.895 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.556 -9.291 -21.065 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.630 -8.068 -19.811 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.035 -7.641 -20.360 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.978 -8.878 -21.599 1.00 0.00 H new ATOM 277 N LEU A 106 28.921 -8.458 -17.357 1.00 0.00 N ATOM 278 CA LEU A 106 29.600 -7.753 -16.278 1.00 0.00 C ATOM 279 C LEU A 106 30.393 -8.731 -15.407 1.00 0.00 C ATOM 280 O LEU A 106 31.497 -8.411 -14.979 1.00 0.00 O ATOM 281 CB LEU A 106 28.573 -6.983 -15.442 1.00 0.00 C ATOM 282 CG LEU A 106 28.066 -5.755 -16.219 1.00 0.00 C ATOM 283 CD1 LEU A 106 26.822 -5.197 -15.529 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.147 -4.670 -16.253 1.00 0.00 C ATOM 0 H LEU A 106 27.907 -8.346 -17.358 1.00 0.00 H new ATOM 0 HA LEU A 106 30.308 -7.043 -16.706 1.00 0.00 H new ATOM 0 HB2 LEU A 106 27.736 -7.634 -15.191 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.023 -6.666 -14.501 1.00 0.00 H new ATOM 0 HG LEU A 106 27.825 -6.056 -17.239 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.461 -4.327 -16.078 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.045 -5.961 -15.507 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.072 -4.905 -14.509 1.00 0.00 H new ATOM 0 HD21 LEU A 106 28.778 -3.806 -16.805 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.395 -4.371 -15.234 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.039 -5.060 -16.744 1.00 0.00 H new ATOM 296 N VAL A 107 29.842 -9.923 -15.147 1.00 0.00 N ATOM 297 CA VAL A 107 30.536 -10.922 -14.342 1.00 0.00 C ATOM 298 C VAL A 107 31.711 -11.486 -15.136 1.00 0.00 C ATOM 299 O VAL A 107 32.756 -11.757 -14.571 1.00 0.00 O ATOM 300 CB VAL A 107 29.562 -12.030 -13.907 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.330 -13.322 -13.597 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.825 -11.582 -12.644 1.00 0.00 C ATOM 0 H VAL A 107 28.923 -10.213 -15.482 1.00 0.00 H new ATOM 0 HA VAL A 107 30.925 -10.457 -13.436 1.00 0.00 H new ATOM 0 HB VAL A 107 28.855 -12.216 -14.715 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.628 -14.098 -13.290 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.866 -13.649 -14.488 1.00 0.00 H new ATOM 0 HG13 VAL A 107 31.042 -13.138 -12.792 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.133 -12.363 -12.330 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.546 -11.396 -11.849 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.270 -10.667 -12.852 1.00 0.00 H new ATOM 312 N GLN A 108 31.550 -11.655 -16.447 1.00 0.00 N ATOM 313 CA GLN A 108 32.632 -12.145 -17.286 1.00 0.00 C ATOM 314 C GLN A 108 33.757 -11.101 -17.323 1.00 0.00 C ATOM 315 O GLN A 108 34.924 -11.445 -17.493 1.00 0.00 O ATOM 316 CB GLN A 108 32.093 -12.428 -18.693 1.00 0.00 C ATOM 317 CG GLN A 108 33.143 -13.185 -19.514 1.00 0.00 C ATOM 318 CD GLN A 108 32.604 -13.537 -20.896 1.00 0.00 C ATOM 319 OE1 GLN A 108 33.082 -13.018 -21.901 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.608 -14.422 -20.947 1.00 0.00 N ATOM 0 H GLN A 108 30.682 -11.459 -16.946 1.00 0.00 H new ATOM 0 HA GLN A 108 33.036 -13.072 -16.880 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.177 -13.015 -18.629 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.838 -11.491 -19.189 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.041 -12.575 -19.614 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.433 -14.096 -18.990 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.242 -14.828 -20.086 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.212 -14.693 -21.847 1.00 0.00 H new ATOM 329 N LYS A 109 33.388 -9.822 -17.165 1.00 0.00 N ATOM 330 CA LYS A 109 34.330 -8.718 -17.204 1.00 0.00 C ATOM 331 C LYS A 109 35.072 -8.572 -15.868 1.00 0.00 C ATOM 332 O LYS A 109 36.292 -8.715 -15.818 1.00 0.00 O ATOM 333 CB LYS A 109 33.553 -7.435 -17.532 1.00 0.00 C ATOM 334 CG LYS A 109 34.526 -6.294 -17.839 1.00 0.00 C ATOM 335 CD LYS A 109 33.733 -5.013 -18.124 1.00 0.00 C ATOM 336 CE LYS A 109 34.682 -3.813 -18.202 1.00 0.00 C ATOM 337 NZ LYS A 109 35.613 -3.938 -19.339 1.00 0.00 N ATOM 0 H LYS A 109 32.423 -9.534 -17.007 1.00 0.00 H new ATOM 0 HA LYS A 109 35.082 -8.909 -17.969 1.00 0.00 H new ATOM 0 HB2 LYS A 109 32.899 -7.605 -18.387 1.00 0.00 H new ATOM 0 HB3 LYS A 109 32.915 -7.163 -16.692 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.199 -6.138 -16.996 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.145 -6.551 -18.698 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.186 -5.116 -19.061 1.00 0.00 H new ATOM 0 HD3 LYS A 109 32.994 -4.852 -17.340 1.00 0.00 H new ATOM 0 HE2 LYS A 109 34.103 -2.895 -18.303 1.00 0.00 H new ATOM 0 HE3 LYS A 109 35.247 -3.733 -17.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 36.149 -3.054 -19.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 36.272 -4.723 -19.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 35.075 -4.126 -20.209 1.00 0.00 H new ATOM 351 N TYR A 110 34.332 -8.264 -14.795 1.00 0.00 N ATOM 352 CA TYR A 110 34.918 -8.011 -13.480 1.00 0.00 C ATOM 353 C TYR A 110 35.141 -9.301 -12.695 1.00 0.00 C ATOM 354 O TYR A 110 35.888 -9.297 -11.717 1.00 0.00 O ATOM 355 CB TYR A 110 33.985 -7.080 -12.703 1.00 0.00 C ATOM 356 CG TYR A 110 33.866 -5.708 -13.328 1.00 0.00 C ATOM 357 CD1 TYR A 110 34.961 -4.825 -13.296 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.667 -5.316 -13.948 1.00 0.00 C ATOM 359 CE1 TYR A 110 34.855 -3.554 -13.881 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.564 -4.045 -14.532 1.00 0.00 C ATOM 361 CZ TYR A 110 33.656 -3.163 -14.498 1.00 0.00 C ATOM 362 OH TYR A 110 33.552 -1.928 -15.061 1.00 0.00 O ATOM 0 H TYR A 110 33.315 -8.184 -14.817 1.00 0.00 H new ATOM 0 HA TYR A 110 35.895 -7.548 -13.618 1.00 0.00 H new ATOM 0 HB2 TYR A 110 32.995 -7.533 -12.643 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.351 -6.978 -11.681 1.00 0.00 H new ATOM 0 HD1 TYR A 110 35.883 -5.126 -12.821 1.00 0.00 H new ATOM 0 HD2 TYR A 110 31.826 -5.993 -13.975 1.00 0.00 H new ATOM 0 HE1 TYR A 110 35.696 -2.877 -13.857 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.643 -3.744 -15.009 1.00 0.00 H new ATOM 0 HH TYR A 110 32.772 -1.464 -14.691 1.00 0.00 H new ATOM 372 N GLY A 111 34.497 -10.393 -13.103 1.00 0.00 N ATOM 373 CA GLY A 111 34.611 -11.663 -12.403 1.00 0.00 C ATOM 374 C GLY A 111 33.523 -11.756 -11.331 1.00 0.00 C ATOM 375 O GLY A 111 32.768 -10.802 -11.130 1.00 0.00 O ATOM 0 H GLY A 111 33.888 -10.419 -13.921 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.513 -12.489 -13.108 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.596 -11.750 -11.945 1.00 0.00 H new ATOM 379 N PRO A 112 33.443 -12.903 -10.637 1.00 0.00 N ATOM 380 CA PRO A 112 32.486 -13.110 -9.570 1.00 0.00 C ATOM 381 C PRO A 112 32.713 -12.092 -8.450 1.00 0.00 C ATOM 382 O PRO A 112 33.744 -11.417 -8.419 1.00 0.00 O ATOM 383 CB PRO A 112 32.711 -14.544 -9.079 1.00 0.00 C ATOM 384 CG PRO A 112 33.922 -15.091 -9.844 1.00 0.00 C ATOM 385 CD PRO A 112 34.303 -14.035 -10.880 1.00 0.00 C ATOM 0 HA PRO A 112 31.459 -12.973 -9.909 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.893 -14.560 -8.004 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.829 -15.158 -9.262 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.753 -15.284 -9.165 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.679 -16.037 -10.328 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.352 -13.755 -10.782 1.00 0.00 H new ATOM 0 HD3 PRO A 112 34.168 -14.416 -11.892 1.00 0.00 H new ATOM 393 N LYS A 113 31.742 -11.982 -7.532 1.00 0.00 N ATOM 394 CA LYS A 113 31.814 -11.030 -6.428 1.00 0.00 C ATOM 395 C LYS A 113 31.890 -9.609 -6.999 1.00 0.00 C ATOM 396 O LYS A 113 31.376 -9.356 -8.088 1.00 0.00 O ATOM 397 CB LYS A 113 33.020 -11.346 -5.523 1.00 0.00 C ATOM 398 CG LYS A 113 33.018 -12.831 -5.142 1.00 0.00 C ATOM 399 CD LYS A 113 34.103 -13.093 -4.094 1.00 0.00 C ATOM 400 CE LYS A 113 34.135 -14.586 -3.752 1.00 0.00 C ATOM 401 NZ LYS A 113 35.175 -14.877 -2.748 1.00 0.00 N ATOM 0 H LYS A 113 30.894 -12.548 -7.538 1.00 0.00 H new ATOM 0 HA LYS A 113 30.920 -11.109 -5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.947 -11.096 -6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.980 -10.732 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.042 -13.115 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.196 -13.444 -6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 113 35.074 -12.775 -4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 113 33.905 -12.508 -3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 113 33.161 -14.897 -3.373 1.00 0.00 H new ATOM 0 HE3 LYS A 113 34.325 -15.166 -4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 35.176 -15.895 -2.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 36.105 -14.601 -3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 34.978 -14.341 -1.879 1.00 0.00 H new ATOM 415 N ARG A 114 32.528 -8.683 -6.263 1.00 0.00 N ATOM 416 CA ARG A 114 32.669 -7.295 -6.700 1.00 0.00 C ATOM 417 C ARG A 114 31.302 -6.737 -7.106 1.00 0.00 C ATOM 418 O ARG A 114 31.181 -6.019 -8.101 1.00 0.00 O ATOM 419 CB ARG A 114 33.672 -7.223 -7.863 1.00 0.00 C ATOM 420 CG ARG A 114 35.059 -7.661 -7.378 1.00 0.00 C ATOM 421 CD ARG A 114 35.982 -7.885 -8.577 1.00 0.00 C ATOM 422 NE ARG A 114 37.358 -8.142 -8.130 1.00 0.00 N ATOM 423 CZ ARG A 114 38.352 -8.499 -8.963 1.00 0.00 C ATOM 424 NH1 ARG A 114 38.106 -8.712 -10.262 1.00 0.00 N ATOM 425 NH2 ARG A 114 39.596 -8.642 -8.490 1.00 0.00 N ATOM 0 H ARG A 114 32.955 -8.879 -5.358 1.00 0.00 H new ATOM 0 HA ARG A 114 33.051 -6.685 -5.881 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.343 -7.865 -8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.717 -6.207 -8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.481 -6.901 -6.720 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.977 -8.578 -6.794 1.00 0.00 H new ATOM 0 HD2 ARG A 114 35.622 -8.728 -9.167 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.962 -7.010 -9.226 1.00 0.00 H new ATOM 0 HE ARG A 114 37.570 -8.045 -7.137 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.159 -8.604 -10.626 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.865 -8.982 -10.887 1.00 0.00 H new ATOM 0 HH21 ARG A 114 39.787 -8.480 -7.501 1.00 0.00 H new ATOM 0 HH22 ARG A 114 40.353 -8.913 -9.118 1.00 0.00 H new ATOM 439 N TRP A 115 30.273 -7.077 -6.324 1.00 0.00 N ATOM 440 CA TRP A 115 28.913 -6.652 -6.595 1.00 0.00 C ATOM 441 C TRP A 115 28.780 -5.138 -6.460 1.00 0.00 C ATOM 442 O TRP A 115 27.875 -4.550 -7.038 1.00 0.00 O ATOM 443 CB TRP A 115 27.971 -7.391 -5.649 1.00 0.00 C ATOM 444 CG TRP A 115 28.011 -8.875 -5.823 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.404 -9.769 -4.900 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.678 -9.660 -7.005 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.350 -11.048 -5.402 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.909 -11.041 -6.714 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.210 -9.350 -8.303 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.698 -12.049 -7.658 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.991 -10.365 -9.255 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.242 -11.706 -8.937 1.00 0.00 C ATOM 0 H TRP A 115 30.368 -7.654 -5.488 1.00 0.00 H new ATOM 0 HA TRP A 115 28.645 -6.899 -7.622 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.232 -7.145 -4.620 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.952 -7.039 -5.812 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.720 -9.517 -3.898 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.601 -11.887 -4.879 1.00 0.00 H new ATOM 0 HE3 TRP A 115 27.018 -8.321 -8.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.885 -13.082 -7.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.626 -10.107 -10.238 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.084 -12.475 -9.678 1.00 0.00 H new ATOM 463 N SER A 116 29.688 -4.506 -5.710 1.00 0.00 N ATOM 464 CA SER A 116 29.681 -3.062 -5.552 1.00 0.00 C ATOM 465 C SER A 116 29.922 -2.393 -6.909 1.00 0.00 C ATOM 466 O SER A 116 29.305 -1.375 -7.219 1.00 0.00 O ATOM 467 CB SER A 116 30.766 -2.662 -4.550 1.00 0.00 C ATOM 468 OG SER A 116 30.627 -3.429 -3.372 1.00 0.00 O ATOM 0 H SER A 116 30.436 -4.980 -5.204 1.00 0.00 H new ATOM 0 HA SER A 116 28.713 -2.733 -5.175 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.753 -2.820 -4.985 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.686 -1.600 -4.317 1.00 0.00 H new ATOM 0 HG SER A 116 31.323 -3.174 -2.731 1.00 0.00 H new ATOM 474 N VAL A 117 30.825 -2.974 -7.715 1.00 0.00 N ATOM 475 CA VAL A 117 31.158 -2.441 -9.030 1.00 0.00 C ATOM 476 C VAL A 117 30.028 -2.747 -10.014 1.00 0.00 C ATOM 477 O VAL A 117 29.577 -1.862 -10.739 1.00 0.00 O ATOM 478 CB VAL A 117 32.483 -3.059 -9.507 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.832 -2.527 -10.900 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.606 -2.695 -8.530 1.00 0.00 C ATOM 0 H VAL A 117 31.338 -3.821 -7.468 1.00 0.00 H new ATOM 0 HA VAL A 117 31.276 -1.359 -8.973 1.00 0.00 H new ATOM 0 HB VAL A 117 32.374 -4.143 -9.549 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.772 -2.968 -11.233 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.039 -2.791 -11.600 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.934 -1.443 -10.860 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.543 -3.135 -8.872 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.710 -1.611 -8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.365 -3.080 -7.539 1.00 0.00 H new ATOM 490 N ILE A 118 29.576 -4.005 -10.036 1.00 0.00 N ATOM 491 CA ILE A 118 28.507 -4.432 -10.929 1.00 0.00 C ATOM 492 C ILE A 118 27.252 -3.581 -10.682 1.00 0.00 C ATOM 493 O ILE A 118 26.622 -3.114 -11.632 1.00 0.00 O ATOM 494 CB ILE A 118 28.240 -5.933 -10.700 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.444 -6.747 -11.217 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.973 -6.367 -11.446 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.531 -8.090 -10.494 1.00 0.00 C ATOM 0 H ILE A 118 29.941 -4.747 -9.438 1.00 0.00 H new ATOM 0 HA ILE A 118 28.796 -4.289 -11.970 1.00 0.00 H new ATOM 0 HB ILE A 118 28.100 -6.112 -9.634 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.346 -6.911 -12.290 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.364 -6.184 -11.063 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.796 -7.429 -11.276 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.121 -5.794 -11.080 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.100 -6.187 -12.514 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.386 -8.651 -10.871 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.652 -7.920 -9.424 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.618 -8.658 -10.670 1.00 0.00 H new ATOM 509 N ALA A 119 26.899 -3.374 -9.406 1.00 0.00 N ATOM 510 CA ALA A 119 25.734 -2.578 -9.036 1.00 0.00 C ATOM 511 C ALA A 119 25.915 -1.125 -9.483 1.00 0.00 C ATOM 512 O ALA A 119 24.955 -0.487 -9.911 1.00 0.00 O ATOM 513 CB ALA A 119 25.535 -2.649 -7.522 1.00 0.00 C ATOM 0 H ALA A 119 27.413 -3.753 -8.611 1.00 0.00 H new ATOM 0 HA ALA A 119 24.851 -2.978 -9.535 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.665 -2.055 -7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.378 -3.686 -7.224 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.419 -2.257 -7.020 1.00 0.00 H new ATOM 519 N LYS A 120 27.149 -0.604 -9.384 1.00 0.00 N ATOM 520 CA LYS A 120 27.451 0.768 -9.786 1.00 0.00 C ATOM 521 C LYS A 120 27.009 1.010 -11.230 1.00 0.00 C ATOM 522 O LYS A 120 26.587 2.117 -11.573 1.00 0.00 O ATOM 523 CB LYS A 120 28.958 1.027 -9.637 1.00 0.00 C ATOM 524 CG LYS A 120 29.195 2.177 -8.658 1.00 0.00 C ATOM 525 CD LYS A 120 30.702 2.415 -8.512 1.00 0.00 C ATOM 526 CE LYS A 120 30.957 3.708 -7.732 1.00 0.00 C ATOM 527 NZ LYS A 120 30.440 3.616 -6.354 1.00 0.00 N ATOM 0 H LYS A 120 27.953 -1.120 -9.027 1.00 0.00 H new ATOM 0 HA LYS A 120 26.905 1.457 -9.142 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.457 0.126 -9.280 1.00 0.00 H new ATOM 0 HB3 LYS A 120 29.392 1.269 -10.607 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.705 3.082 -9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.757 1.941 -7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 120 31.163 1.573 -7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 120 31.165 2.478 -9.497 1.00 0.00 H new ATOM 0 HE2 LYS A 120 32.027 3.915 -7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.482 4.544 -8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 30.717 4.466 -5.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 29.403 3.544 -6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 30.835 2.773 -5.890 1.00 0.00 H new ATOM 541 N HIS A 121 27.108 -0.022 -12.073 1.00 0.00 N ATOM 542 CA HIS A 121 26.731 0.080 -13.468 1.00 0.00 C ATOM 543 C HIS A 121 25.239 -0.180 -13.601 1.00 0.00 C ATOM 544 O HIS A 121 24.531 0.587 -14.255 1.00 0.00 O ATOM 545 CB HIS A 121 27.548 -0.923 -14.281 1.00 0.00 C ATOM 546 CG HIS A 121 29.024 -0.795 -14.014 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.661 0.435 -13.902 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.013 -1.722 -13.815 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.959 0.180 -13.651 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.242 -1.121 -13.587 1.00 0.00 N ATOM 0 H HIS A 121 27.451 -0.943 -11.800 1.00 0.00 H new ATOM 0 HA HIS A 121 26.939 1.079 -13.850 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.222 -1.935 -14.041 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.357 -0.770 -15.343 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.228 1.354 -13.993 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.855 -2.790 -13.833 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.699 0.955 -13.515 1.00 0.00 H new ATOM 558 N LEU A 122 24.758 -1.258 -12.970 1.00 0.00 N ATOM 559 CA LEU A 122 23.350 -1.600 -13.003 1.00 0.00 C ATOM 560 C LEU A 122 22.599 -0.756 -11.976 1.00 0.00 C ATOM 561 O LEU A 122 22.126 -1.272 -10.963 1.00 0.00 O ATOM 562 CB LEU A 122 23.167 -3.097 -12.720 1.00 0.00 C ATOM 563 CG LEU A 122 23.888 -3.941 -13.782 1.00 0.00 C ATOM 564 CD1 LEU A 122 23.602 -5.419 -13.524 1.00 0.00 C ATOM 565 CD2 LEU A 122 23.394 -3.573 -15.184 1.00 0.00 C ATOM 0 H LEU A 122 25.334 -1.904 -12.431 1.00 0.00 H new ATOM 0 HA LEU A 122 22.945 -1.390 -13.993 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.558 -3.336 -11.731 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.105 -3.344 -12.711 1.00 0.00 H new ATOM 0 HG LEU A 122 24.959 -3.746 -13.722 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.111 -6.024 -14.274 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.963 -5.692 -12.532 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.528 -5.597 -13.581 1.00 0.00 H new ATOM 0 HD21 LEU A 122 23.915 -4.180 -15.924 1.00 0.00 H new ATOM 0 HD22 LEU A 122 22.322 -3.758 -15.252 1.00 0.00 H new ATOM 0 HD23 LEU A 122 23.593 -2.518 -15.375 1.00 0.00 H new ATOM 577 N LYS A 123 22.489 0.548 -12.245 1.00 0.00 N ATOM 578 CA LYS A 123 21.792 1.465 -11.361 1.00 0.00 C ATOM 579 C LYS A 123 20.343 1.008 -11.208 1.00 0.00 C ATOM 580 O LYS A 123 19.612 0.919 -12.193 1.00 0.00 O ATOM 581 CB LYS A 123 21.869 2.881 -11.936 1.00 0.00 C ATOM 582 CG LYS A 123 23.322 3.369 -11.898 1.00 0.00 C ATOM 583 CD LYS A 123 23.432 4.719 -12.612 1.00 0.00 C ATOM 584 CE LYS A 123 24.857 5.269 -12.473 1.00 0.00 C ATOM 585 NZ LYS A 123 25.850 4.344 -13.052 1.00 0.00 N ATOM 0 H LYS A 123 22.880 0.988 -13.078 1.00 0.00 H new ATOM 0 HA LYS A 123 22.258 1.471 -10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.498 2.890 -12.961 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.233 3.554 -11.361 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.657 3.465 -10.865 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.974 2.639 -12.378 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.178 4.604 -13.666 1.00 0.00 H new ATOM 0 HD3 LYS A 123 22.718 5.424 -12.187 1.00 0.00 H new ATOM 0 HE2 LYS A 123 24.925 6.236 -12.970 1.00 0.00 H new ATOM 0 HE3 LYS A 123 25.083 5.435 -11.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 26.735 4.857 -13.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 26.033 3.568 -12.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 25.483 3.954 -13.943 1.00 0.00 H new ATOM 599 N GLY A 124 19.944 0.704 -9.967 1.00 0.00 N ATOM 600 CA GLY A 124 18.608 0.205 -9.671 1.00 0.00 C ATOM 601 C GLY A 124 18.694 -1.229 -9.141 1.00 0.00 C ATOM 602 O GLY A 124 17.697 -1.772 -8.662 1.00 0.00 O ATOM 0 H GLY A 124 20.541 0.799 -9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.126 0.846 -8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.992 0.234 -10.570 1.00 0.00 H new ATOM 606 N ARG A 125 19.892 -1.836 -9.228 1.00 0.00 N ATOM 607 CA ARG A 125 20.130 -3.185 -8.743 1.00 0.00 C ATOM 608 C ARG A 125 21.278 -3.155 -7.746 1.00 0.00 C ATOM 609 O ARG A 125 22.441 -3.157 -8.145 1.00 0.00 O ATOM 610 CB ARG A 125 20.482 -4.107 -9.919 1.00 0.00 C ATOM 611 CG ARG A 125 19.332 -4.161 -10.927 1.00 0.00 C ATOM 612 CD ARG A 125 18.129 -4.880 -10.309 1.00 0.00 C ATOM 613 NE ARG A 125 16.957 -3.994 -10.257 1.00 0.00 N ATOM 614 CZ ARG A 125 15.883 -4.128 -11.059 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.894 -4.997 -12.080 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.795 -3.384 -10.833 1.00 0.00 N ATOM 0 H ARG A 125 20.715 -1.395 -9.639 1.00 0.00 H new ATOM 0 HA ARG A 125 19.232 -3.565 -8.257 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.386 -3.749 -10.411 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.696 -5.110 -9.550 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.050 -3.151 -11.224 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.653 -4.681 -11.830 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.892 -5.769 -10.894 1.00 0.00 H new ATOM 0 HD3 ARG A 125 18.379 -5.217 -9.303 1.00 0.00 H new ATOM 0 HE ARG A 125 16.957 -3.235 -9.575 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.722 -5.566 -12.257 1.00 0.00 H new ATOM 0 HH12 ARG A 125 15.074 -5.089 -12.680 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.783 -2.721 -10.058 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.978 -3.479 -11.436 1.00 0.00 H new ATOM 630 N ILE A 126 20.961 -3.127 -6.449 1.00 0.00 N ATOM 631 CA ILE A 126 21.990 -3.106 -5.420 1.00 0.00 C ATOM 632 C ILE A 126 22.752 -4.435 -5.432 1.00 0.00 C ATOM 633 O ILE A 126 22.344 -5.388 -6.104 1.00 0.00 O ATOM 634 CB ILE A 126 21.365 -2.823 -4.040 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.302 -3.881 -3.705 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.727 -1.428 -4.049 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.926 -3.794 -2.224 1.00 0.00 C ATOM 0 H ILE A 126 20.005 -3.118 -6.093 1.00 0.00 H new ATOM 0 HA ILE A 126 22.697 -2.303 -5.628 1.00 0.00 H new ATOM 0 HB ILE A 126 22.146 -2.864 -3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.417 -3.728 -4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.683 -4.876 -3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.284 -1.224 -3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.490 -0.680 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.953 -1.387 -4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.172 -4.547 -1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.811 -3.969 -1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.526 -2.803 -2.008 1.00 0.00 H new ATOM 649 N GLY A 127 23.865 -4.492 -4.692 1.00 0.00 N ATOM 650 CA GLY A 127 24.700 -5.682 -4.636 1.00 0.00 C ATOM 651 C GLY A 127 23.873 -6.922 -4.296 1.00 0.00 C ATOM 652 O GLY A 127 24.093 -7.987 -4.867 1.00 0.00 O ATOM 0 H GLY A 127 24.204 -3.717 -4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.198 -5.825 -5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.481 -5.546 -3.888 1.00 0.00 H new ATOM 656 N LYS A 128 22.922 -6.779 -3.364 1.00 0.00 N ATOM 657 CA LYS A 128 22.073 -7.884 -2.942 1.00 0.00 C ATOM 658 C LYS A 128 21.319 -8.472 -4.139 1.00 0.00 C ATOM 659 O LYS A 128 21.274 -9.688 -4.300 1.00 0.00 O ATOM 660 CB LYS A 128 21.092 -7.379 -1.877 1.00 0.00 C ATOM 661 CG LYS A 128 20.341 -8.559 -1.252 1.00 0.00 C ATOM 662 CD LYS A 128 19.353 -8.036 -0.203 1.00 0.00 C ATOM 663 CE LYS A 128 18.524 -9.194 0.363 1.00 0.00 C ATOM 664 NZ LYS A 128 19.351 -10.095 1.187 1.00 0.00 N ATOM 0 H LYS A 128 22.726 -5.898 -2.888 1.00 0.00 H new ATOM 0 HA LYS A 128 22.690 -8.676 -2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.632 -6.831 -1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.383 -6.683 -2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.809 -9.115 -2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 128 21.047 -9.250 -0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.894 -7.539 0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.694 -7.292 -0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.705 -8.798 0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 128 18.075 -9.757 -0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.741 -10.799 1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 20.043 -10.582 0.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 19.853 -9.541 1.910 1.00 0.00 H new ATOM 678 N GLN A 129 20.725 -7.607 -4.971 1.00 0.00 N ATOM 679 CA GLN A 129 19.953 -8.046 -6.128 1.00 0.00 C ATOM 680 C GLN A 129 20.866 -8.720 -7.146 1.00 0.00 C ATOM 681 O GLN A 129 20.595 -9.837 -7.577 1.00 0.00 O ATOM 682 CB GLN A 129 19.252 -6.845 -6.763 1.00 0.00 C ATOM 683 CG GLN A 129 18.213 -6.274 -5.798 1.00 0.00 C ATOM 684 CD GLN A 129 17.475 -5.112 -6.444 1.00 0.00 C ATOM 685 OE1 GLN A 129 17.736 -3.955 -6.131 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.558 -5.423 -7.355 1.00 0.00 N ATOM 0 H GLN A 129 20.768 -6.594 -4.858 1.00 0.00 H new ATOM 0 HA GLN A 129 19.203 -8.768 -5.803 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.984 -6.079 -7.017 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.770 -7.145 -7.693 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.504 -7.052 -5.515 1.00 0.00 H new ATOM 0 HG3 GLN A 129 18.702 -5.940 -4.883 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.376 -6.401 -7.582 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.037 -4.684 -7.827 1.00 0.00 H new ATOM 695 N CYS A 130 21.947 -8.034 -7.530 1.00 0.00 N ATOM 696 CA CYS A 130 22.901 -8.572 -8.498 1.00 0.00 C ATOM 697 C CYS A 130 23.361 -9.966 -8.060 1.00 0.00 C ATOM 698 O CYS A 130 23.363 -10.902 -8.859 1.00 0.00 O ATOM 699 CB CYS A 130 24.103 -7.631 -8.629 1.00 0.00 C ATOM 700 SG CYS A 130 23.556 -6.039 -9.298 1.00 0.00 S ATOM 0 H CYS A 130 22.181 -7.104 -7.183 1.00 0.00 H new ATOM 0 HA CYS A 130 22.414 -8.653 -9.470 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.572 -7.486 -7.656 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.855 -8.073 -9.283 1.00 0.00 H new ATOM 0 HG CYS A 130 23.154 -5.275 -8.326 1.00 0.00 H new ATOM 706 N ARG A 131 23.747 -10.096 -6.785 1.00 0.00 N ATOM 707 CA ARG A 131 24.204 -11.362 -6.234 1.00 0.00 C ATOM 708 C ARG A 131 23.083 -12.400 -6.310 1.00 0.00 C ATOM 709 O ARG A 131 23.292 -13.498 -6.812 1.00 0.00 O ATOM 710 CB ARG A 131 24.656 -11.135 -4.780 1.00 0.00 C ATOM 711 CG ARG A 131 25.419 -12.359 -4.248 1.00 0.00 C ATOM 712 CD ARG A 131 24.451 -13.349 -3.588 1.00 0.00 C ATOM 713 NE ARG A 131 25.178 -14.498 -3.033 1.00 0.00 N ATOM 714 CZ ARG A 131 24.564 -15.612 -2.596 1.00 0.00 C ATOM 715 NH1 ARG A 131 23.228 -15.713 -2.654 1.00 0.00 N ATOM 716 NH2 ARG A 131 25.290 -16.624 -2.104 1.00 0.00 N ATOM 0 H ARG A 131 23.749 -9.327 -6.115 1.00 0.00 H new ATOM 0 HA ARG A 131 25.047 -11.742 -6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.293 -10.252 -4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.788 -10.940 -4.151 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.948 -12.849 -5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.171 -12.041 -3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.895 -12.848 -2.796 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.721 -13.694 -4.320 1.00 0.00 H new ATOM 0 HE ARG A 131 26.195 -14.449 -2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 131 22.674 -14.944 -3.030 1.00 0.00 H new ATOM 0 HH12 ARG A 131 22.766 -16.559 -2.322 1.00 0.00 H new ATOM 0 HH21 ARG A 131 26.306 -16.549 -2.061 1.00 0.00 H new ATOM 0 HH22 ARG A 131 24.827 -17.470 -1.772 1.00 0.00 H new ATOM 730 N GLU A 132 21.898 -12.044 -5.802 1.00 0.00 N ATOM 731 CA GLU A 132 20.743 -12.936 -5.784 1.00 0.00 C ATOM 732 C GLU A 132 20.492 -13.517 -7.173 1.00 0.00 C ATOM 733 O GLU A 132 20.453 -14.737 -7.333 1.00 0.00 O ATOM 734 CB GLU A 132 19.526 -12.138 -5.275 1.00 0.00 C ATOM 735 CG GLU A 132 18.266 -13.012 -5.247 1.00 0.00 C ATOM 736 CD GLU A 132 17.610 -13.092 -6.625 1.00 0.00 C ATOM 737 OE1 GLU A 132 17.261 -12.014 -7.152 1.00 0.00 O ATOM 738 OE2 GLU A 132 17.471 -14.230 -7.124 1.00 0.00 O ATOM 0 H GLU A 132 21.717 -11.128 -5.392 1.00 0.00 H new ATOM 0 HA GLU A 132 20.926 -13.779 -5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.730 -11.756 -4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.359 -11.274 -5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.525 -14.015 -4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 132 17.555 -12.605 -4.528 1.00 0.00 H new ATOM 745 N ARG A 133 20.320 -12.646 -8.172 1.00 0.00 N ATOM 746 CA ARG A 133 20.048 -13.073 -9.536 1.00 0.00 C ATOM 747 C ARG A 133 21.074 -14.115 -9.986 1.00 0.00 C ATOM 748 O ARG A 133 20.721 -15.095 -10.644 1.00 0.00 O ATOM 749 CB ARG A 133 20.088 -11.846 -10.464 1.00 0.00 C ATOM 750 CG ARG A 133 19.478 -12.184 -11.830 1.00 0.00 C ATOM 751 CD ARG A 133 17.951 -12.146 -11.755 1.00 0.00 C ATOM 752 NE ARG A 133 17.365 -12.613 -13.019 1.00 0.00 N ATOM 753 CZ ARG A 133 16.061 -12.903 -13.162 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.234 -12.791 -12.123 1.00 0.00 N ATOM 755 NH2 ARG A 133 15.589 -13.296 -14.348 1.00 0.00 N ATOM 0 H ARG A 133 20.366 -11.634 -8.053 1.00 0.00 H new ATOM 0 HA ARG A 133 19.060 -13.531 -9.581 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.540 -11.021 -10.009 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.118 -11.513 -10.592 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.830 -11.474 -12.578 1.00 0.00 H new ATOM 0 HG3 ARG A 133 19.809 -13.173 -12.149 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.605 -12.773 -10.933 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.616 -11.130 -11.545 1.00 0.00 H new ATOM 0 HE ARG A 133 17.978 -12.722 -13.827 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.591 -12.485 -11.218 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.244 -13.011 -12.233 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.219 -13.376 -15.146 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.599 -13.516 -14.455 1.00 0.00 H new ATOM 769 N TRP A 134 22.343 -13.893 -9.640 1.00 0.00 N ATOM 770 CA TRP A 134 23.419 -14.762 -10.067 1.00 0.00 C ATOM 771 C TRP A 134 23.408 -16.104 -9.328 1.00 0.00 C ATOM 772 O TRP A 134 23.407 -17.154 -9.962 1.00 0.00 O ATOM 773 CB TRP A 134 24.754 -14.043 -9.856 1.00 0.00 C ATOM 774 CG TRP A 134 25.864 -14.615 -10.664 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.970 -15.211 -10.191 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.979 -14.670 -12.106 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.769 -15.644 -11.220 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.196 -15.336 -12.444 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.172 -14.226 -13.172 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.581 -15.555 -13.770 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.551 -14.437 -14.499 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.748 -15.108 -14.805 1.00 0.00 C ATOM 0 H TRP A 134 22.643 -13.109 -9.060 1.00 0.00 H new ATOM 0 HA TRP A 134 23.279 -14.986 -11.124 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.635 -12.989 -10.109 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.021 -14.089 -8.800 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.200 -15.333 -9.143 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.660 -16.125 -11.100 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.245 -13.714 -12.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.508 -16.062 -13.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.918 -14.081 -15.299 1.00 0.00 H new ATOM 0 HH2 TRP A 134 27.025 -15.279 -15.835 1.00 0.00 H new ATOM 793 N HIS A 135 23.419 -16.073 -7.994 1.00 0.00 N ATOM 794 CA HIS A 135 23.515 -17.290 -7.189 1.00 0.00 C ATOM 795 C HIS A 135 22.195 -18.078 -7.142 1.00 0.00 C ATOM 796 O HIS A 135 22.014 -18.898 -6.245 1.00 0.00 O ATOM 797 CB HIS A 135 23.975 -16.909 -5.780 1.00 0.00 C ATOM 798 CG HIS A 135 25.424 -16.500 -5.743 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.425 -17.328 -5.249 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.075 -15.359 -6.136 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.584 -16.649 -5.367 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.439 -15.437 -5.901 1.00 0.00 N ATOM 0 H HIS A 135 23.362 -15.214 -7.447 1.00 0.00 H new ATOM 0 HA HIS A 135 24.242 -17.954 -7.657 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.359 -16.090 -5.408 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.821 -17.754 -5.109 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.584 -14.503 -6.575 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.538 -17.049 -5.058 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.157 -14.737 -6.091 1.00 0.00 H new ATOM 810 N ASN A 136 21.285 -17.852 -8.102 1.00 0.00 N ATOM 811 CA ASN A 136 20.030 -18.598 -8.161 1.00 0.00 C ATOM 812 C ASN A 136 19.779 -19.119 -9.571 1.00 0.00 C ATOM 813 O ASN A 136 19.999 -20.296 -9.848 1.00 0.00 O ATOM 814 CB ASN A 136 18.870 -17.702 -7.720 1.00 0.00 C ATOM 815 CG ASN A 136 18.829 -17.555 -6.208 1.00 0.00 C ATOM 816 OD1 ASN A 136 19.072 -18.510 -5.475 1.00 0.00 O ATOM 817 ND2 ASN A 136 18.518 -16.358 -5.741 1.00 0.00 N ATOM 0 H ASN A 136 21.399 -17.160 -8.843 1.00 0.00 H new ATOM 0 HA ASN A 136 20.102 -19.451 -7.486 1.00 0.00 H new ATOM 0 HB2 ASN A 136 18.972 -16.719 -8.180 1.00 0.00 H new ATOM 0 HB3 ASN A 136 17.928 -18.123 -8.072 1.00 0.00 H new ATOM 0 HD21 ASN A 136 18.472 -16.199 -4.734 1.00 0.00 H new ATOM 0 HD22 ASN A 136 18.324 -15.593 -6.387 1.00 0.00 H new ATOM 824 N HIS A 137 19.295 -18.241 -10.450 1.00 0.00 N ATOM 825 CA HIS A 137 18.920 -18.622 -11.809 1.00 0.00 C ATOM 826 C HIS A 137 20.101 -19.202 -12.589 1.00 0.00 C ATOM 827 O HIS A 137 20.026 -20.337 -13.057 1.00 0.00 O ATOM 828 CB HIS A 137 18.352 -17.408 -12.542 1.00 0.00 C ATOM 829 CG HIS A 137 17.306 -16.690 -11.745 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.037 -17.207 -11.513 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.320 -15.486 -11.109 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.380 -16.296 -10.767 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.111 -15.217 -10.485 1.00 0.00 N ATOM 0 H HIS A 137 19.153 -17.253 -10.241 1.00 0.00 H new ATOM 0 HA HIS A 137 18.162 -19.402 -11.741 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.162 -16.718 -12.776 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.923 -17.729 -13.491 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.170 -14.821 -11.092 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.362 -16.427 -10.431 1.00 0.00 H new ATOM 0 HE2 HIS A 137 15.846 -14.395 -9.943 1.00 0.00 H new ATOM 841 N LEU A 138 21.179 -18.422 -12.752 1.00 0.00 N ATOM 842 CA LEU A 138 22.323 -18.852 -13.548 1.00 0.00 C ATOM 843 C LEU A 138 23.637 -18.399 -12.914 1.00 0.00 C ATOM 844 O LEU A 138 23.852 -17.209 -12.700 1.00 0.00 O ATOM 845 CB LEU A 138 22.184 -18.296 -14.978 1.00 0.00 C ATOM 846 CG LEU A 138 21.877 -16.783 -14.952 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.868 -16.042 -15.841 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.462 -16.531 -15.472 1.00 0.00 C ATOM 0 H LEU A 138 21.277 -17.493 -12.342 1.00 0.00 H new ATOM 0 HA LEU A 138 22.340 -19.941 -13.585 1.00 0.00 H new ATOM 0 HB2 LEU A 138 23.105 -18.475 -15.533 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.388 -18.824 -15.502 1.00 0.00 H new ATOM 0 HG LEU A 138 21.960 -16.424 -13.926 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.648 -14.975 -15.820 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.881 -16.211 -15.476 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.785 -16.410 -16.864 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.252 -15.462 -15.451 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.380 -16.897 -16.495 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.744 -17.054 -14.841 1.00 0.00 H new