USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=9 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 128 LYS NZ :NH3+ -147:sc= -0.0282 (180deg=-0.233) USER MOD Set 1.2: A 129 GLN : amide:sc= -0.371 K(o=-0.4,f=-2) USER MOD Set 2.1: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 121 HIS : no HE2:sc= -0.311 X(o=-0.31,f=-0.62) USER MOD Single : A 96 THR OG1 : rot 180:sc=-0.00423 USER MOD Single : A 97 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.114) USER MOD Single : A 101 GLN : amide:sc= 0.0196 X(o=0.02,f=-0.25) USER MOD Single : A 108 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -168:sc=-0.00335 (180deg=-0.148) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 CYS SG : rot 77:sc= 0.12 USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 136 ASN : amide:sc= 0.962 K(o=0.96,f=-0.27) USER MOD Single : A 137 HIS : no HE2:sc= -0.159 K(o=-0.16,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.613 -8.621 -12.853 1.00 0.00 N ATOM 85 CA TRP A 95 14.727 -8.971 -13.740 1.00 0.00 C ATOM 86 C TRP A 95 14.239 -9.235 -15.171 1.00 0.00 C ATOM 87 O TRP A 95 13.112 -9.673 -15.388 1.00 0.00 O ATOM 88 CB TRP A 95 15.507 -10.173 -13.183 1.00 0.00 C ATOM 89 CG TRP A 95 16.482 -9.808 -12.116 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.267 -9.871 -10.791 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.830 -9.287 -12.266 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.366 -9.425 -10.095 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.371 -9.041 -10.966 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.655 -8.983 -13.371 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.652 -8.517 -10.776 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.943 -8.449 -13.186 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.441 -8.215 -11.891 1.00 0.00 C ATOM 0 HA TRP A 95 15.406 -8.119 -13.781 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.800 -10.901 -12.785 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.040 -10.660 -14.000 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.354 -10.224 -10.334 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.432 -9.383 -9.078 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.292 -9.163 -14.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 20.029 -8.347 -9.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.555 -8.217 -14.045 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.430 -7.803 -11.758 1.00 0.00 H new ATOM 108 N THR A 96 15.113 -8.954 -16.149 1.00 0.00 N ATOM 109 CA THR A 96 14.804 -9.149 -17.560 1.00 0.00 C ATOM 110 C THR A 96 16.030 -9.727 -18.262 1.00 0.00 C ATOM 111 O THR A 96 17.145 -9.581 -17.771 1.00 0.00 O ATOM 112 CB THR A 96 14.398 -7.809 -18.199 1.00 0.00 C ATOM 113 OG1 THR A 96 15.528 -6.971 -18.316 1.00 0.00 O ATOM 114 CG2 THR A 96 13.342 -7.109 -17.339 1.00 0.00 C ATOM 0 H THR A 96 16.049 -8.587 -15.978 1.00 0.00 H new ATOM 0 HA THR A 96 13.970 -9.843 -17.663 1.00 0.00 H new ATOM 0 HB THR A 96 13.984 -8.008 -19.187 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.264 -6.121 -18.725 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.064 -6.163 -17.803 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.461 -7.745 -17.256 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.749 -6.921 -16.345 1.00 0.00 H new ATOM 122 N LYS A 97 15.823 -10.383 -19.413 1.00 0.00 N ATOM 123 CA LYS A 97 16.917 -10.977 -20.174 1.00 0.00 C ATOM 124 C LYS A 97 17.974 -9.917 -20.497 1.00 0.00 C ATOM 125 O LYS A 97 19.167 -10.204 -20.469 1.00 0.00 O ATOM 126 CB LYS A 97 16.362 -11.600 -21.460 1.00 0.00 C ATOM 127 CG LYS A 97 17.512 -12.182 -22.291 1.00 0.00 C ATOM 128 CD LYS A 97 16.944 -13.012 -23.448 1.00 0.00 C ATOM 129 CE LYS A 97 18.057 -13.344 -24.450 1.00 0.00 C ATOM 130 NZ LYS A 97 19.157 -14.088 -23.807 1.00 0.00 N ATOM 0 H LYS A 97 14.903 -10.513 -19.833 1.00 0.00 H new ATOM 0 HA LYS A 97 17.392 -11.757 -19.579 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.644 -12.383 -21.216 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.827 -10.847 -22.039 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.136 -11.377 -22.680 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.149 -12.804 -21.663 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.502 -13.932 -23.064 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.147 -12.459 -23.946 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.647 -13.934 -25.269 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.444 -12.422 -24.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.799 -14.458 -24.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.682 -13.452 -23.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.766 -14.879 -23.257 1.00 0.00 H new ATOM 144 N GLU A 98 17.526 -8.696 -20.805 1.00 0.00 N ATOM 145 CA GLU A 98 18.420 -7.596 -21.131 1.00 0.00 C ATOM 146 C GLU A 98 19.324 -7.290 -19.935 1.00 0.00 C ATOM 147 O GLU A 98 20.540 -7.187 -20.078 1.00 0.00 O ATOM 148 CB GLU A 98 17.574 -6.372 -21.502 1.00 0.00 C ATOM 149 CG GLU A 98 18.476 -5.215 -21.963 1.00 0.00 C ATOM 150 CD GLU A 98 18.190 -3.942 -21.173 1.00 0.00 C ATOM 151 OE1 GLU A 98 16.992 -3.660 -20.954 1.00 0.00 O ATOM 152 OE2 GLU A 98 19.176 -3.270 -20.801 1.00 0.00 O ATOM 0 H GLU A 98 16.537 -8.449 -20.834 1.00 0.00 H new ATOM 0 HA GLU A 98 19.056 -7.863 -21.975 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.874 -6.633 -22.295 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.981 -6.059 -20.643 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.522 -5.495 -21.840 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.319 -5.029 -23.026 1.00 0.00 H new ATOM 159 N GLU A 99 18.719 -7.146 -18.755 1.00 0.00 N ATOM 160 CA GLU A 99 19.451 -6.838 -17.537 1.00 0.00 C ATOM 161 C GLU A 99 20.412 -7.986 -17.213 1.00 0.00 C ATOM 162 O GLU A 99 21.570 -7.754 -16.875 1.00 0.00 O ATOM 163 CB GLU A 99 18.442 -6.630 -16.400 1.00 0.00 C ATOM 164 CG GLU A 99 18.543 -5.199 -15.857 1.00 0.00 C ATOM 165 CD GLU A 99 17.324 -4.846 -15.007 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.393 -5.688 -14.956 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.343 -3.746 -14.418 1.00 0.00 O ATOM 0 H GLU A 99 17.712 -7.240 -18.622 1.00 0.00 H new ATOM 0 HA GLU A 99 20.039 -5.929 -17.664 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.431 -6.819 -16.762 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.633 -7.345 -15.599 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.449 -5.097 -15.259 1.00 0.00 H new ATOM 0 HG3 GLU A 99 18.627 -4.497 -16.687 1.00 0.00 H new ATOM 174 N ASP A 100 19.923 -9.227 -17.324 1.00 0.00 N ATOM 175 CA ASP A 100 20.727 -10.411 -17.056 1.00 0.00 C ATOM 176 C ASP A 100 21.929 -10.459 -17.998 1.00 0.00 C ATOM 177 O ASP A 100 23.031 -10.797 -17.575 1.00 0.00 O ATOM 178 CB ASP A 100 19.861 -11.664 -17.228 1.00 0.00 C ATOM 179 CG ASP A 100 19.141 -12.010 -15.936 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.800 -12.608 -15.060 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.942 -11.674 -15.841 1.00 0.00 O ATOM 0 H ASP A 100 18.963 -9.431 -17.601 1.00 0.00 H new ATOM 0 HA ASP A 100 21.098 -10.371 -16.032 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.132 -11.501 -18.022 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.486 -12.502 -17.536 1.00 0.00 H new ATOM 186 N GLN A 101 21.715 -10.122 -19.276 1.00 0.00 N ATOM 187 CA GLN A 101 22.781 -10.137 -20.267 1.00 0.00 C ATOM 188 C GLN A 101 23.943 -9.259 -19.799 1.00 0.00 C ATOM 189 O GLN A 101 25.107 -9.612 -19.999 1.00 0.00 O ATOM 190 CB GLN A 101 22.231 -9.656 -21.618 1.00 0.00 C ATOM 191 CG GLN A 101 23.313 -9.746 -22.703 1.00 0.00 C ATOM 192 CD GLN A 101 23.807 -11.180 -22.876 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.202 -11.964 -23.602 1.00 0.00 O ATOM 194 NE2 GLN A 101 24.909 -11.520 -22.206 1.00 0.00 N ATOM 0 H GLN A 101 20.807 -9.836 -19.642 1.00 0.00 H new ATOM 0 HA GLN A 101 23.156 -11.153 -20.388 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.371 -10.262 -21.903 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.881 -8.627 -21.529 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.914 -9.380 -23.649 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.150 -9.100 -22.439 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.378 -10.834 -21.614 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.283 -12.466 -22.285 1.00 0.00 H new ATOM 203 N ARG A 102 23.630 -8.118 -19.172 1.00 0.00 N ATOM 204 CA ARG A 102 24.653 -7.216 -18.669 1.00 0.00 C ATOM 205 C ARG A 102 25.419 -7.897 -17.537 1.00 0.00 C ATOM 206 O ARG A 102 26.643 -7.891 -17.536 1.00 0.00 O ATOM 207 CB ARG A 102 24.012 -5.911 -18.186 1.00 0.00 C ATOM 208 CG ARG A 102 23.340 -5.194 -19.360 1.00 0.00 C ATOM 209 CD ARG A 102 22.599 -3.956 -18.851 1.00 0.00 C ATOM 210 NE ARG A 102 21.757 -3.376 -19.906 1.00 0.00 N ATOM 211 CZ ARG A 102 22.236 -2.622 -20.910 1.00 0.00 C ATOM 212 NH1 ARG A 102 23.546 -2.348 -20.992 1.00 0.00 N ATOM 213 NH2 ARG A 102 21.394 -2.144 -21.831 1.00 0.00 N ATOM 0 H ARG A 102 22.674 -7.805 -19.005 1.00 0.00 H new ATOM 0 HA ARG A 102 25.352 -6.974 -19.470 1.00 0.00 H new ATOM 0 HB2 ARG A 102 23.277 -6.122 -17.409 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.770 -5.266 -17.741 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.088 -4.904 -20.098 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.643 -5.867 -19.859 1.00 0.00 H new ATOM 0 HD2 ARG A 102 21.981 -4.224 -17.994 1.00 0.00 H new ATOM 0 HD3 ARG A 102 23.318 -3.214 -18.505 1.00 0.00 H new ATOM 0 HE ARG A 102 20.753 -3.556 -19.875 1.00 0.00 H new ATOM 0 HH11 ARG A 102 24.188 -2.713 -20.289 1.00 0.00 H new ATOM 0 HH12 ARG A 102 23.900 -1.775 -21.758 1.00 0.00 H new ATOM 0 HH21 ARG A 102 20.397 -2.352 -21.768 1.00 0.00 H new ATOM 0 HH22 ARG A 102 21.748 -1.571 -22.597 1.00 0.00 H new ATOM 227 N VAL A 103 24.695 -8.487 -16.572 1.00 0.00 N ATOM 228 CA VAL A 103 25.323 -9.167 -15.442 1.00 0.00 C ATOM 229 C VAL A 103 26.280 -10.244 -15.949 1.00 0.00 C ATOM 230 O VAL A 103 27.411 -10.326 -15.486 1.00 0.00 O ATOM 231 CB VAL A 103 24.247 -9.779 -14.531 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.913 -10.577 -13.404 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.400 -8.669 -13.918 1.00 0.00 C ATOM 0 H VAL A 103 23.675 -8.503 -16.557 1.00 0.00 H new ATOM 0 HA VAL A 103 25.894 -8.443 -14.860 1.00 0.00 H new ATOM 0 HB VAL A 103 23.615 -10.440 -15.125 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.146 -11.009 -12.761 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.519 -11.375 -13.832 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.549 -9.915 -12.816 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.638 -9.107 -13.273 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.037 -8.008 -13.330 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.919 -8.098 -14.712 1.00 0.00 H new ATOM 243 N ILE A 104 25.822 -11.068 -16.899 1.00 0.00 N ATOM 244 CA ILE A 104 26.638 -12.136 -17.463 1.00 0.00 C ATOM 245 C ILE A 104 27.988 -11.577 -17.926 1.00 0.00 C ATOM 246 O ILE A 104 29.038 -12.101 -17.551 1.00 0.00 O ATOM 247 CB ILE A 104 25.879 -12.788 -18.634 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.734 -13.658 -18.096 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.838 -13.655 -19.465 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.836 -14.121 -19.248 1.00 0.00 C ATOM 0 H ILE A 104 24.883 -11.010 -17.292 1.00 0.00 H new ATOM 0 HA ILE A 104 26.831 -12.894 -16.704 1.00 0.00 H new ATOM 0 HB ILE A 104 25.467 -12.002 -19.267 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.140 -14.523 -17.571 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.147 -13.093 -17.372 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.293 -14.112 -20.291 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.641 -13.033 -19.861 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.262 -14.436 -18.834 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.028 -14.737 -18.854 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.416 -13.252 -19.754 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.425 -14.704 -19.956 1.00 0.00 H new ATOM 262 N GLU A 105 27.959 -10.518 -18.743 1.00 0.00 N ATOM 263 CA GLU A 105 29.177 -9.921 -19.272 1.00 0.00 C ATOM 264 C GLU A 105 30.024 -9.337 -18.137 1.00 0.00 C ATOM 265 O GLU A 105 31.220 -9.584 -18.071 1.00 0.00 O ATOM 266 CB GLU A 105 28.815 -8.836 -20.297 1.00 0.00 C ATOM 267 CG GLU A 105 29.840 -8.830 -21.440 1.00 0.00 C ATOM 268 CD GLU A 105 31.259 -8.615 -20.920 1.00 0.00 C ATOM 269 OE1 GLU A 105 31.539 -7.476 -20.483 1.00 0.00 O ATOM 270 OE2 GLU A 105 32.038 -9.595 -20.970 1.00 0.00 O ATOM 0 H GLU A 105 27.100 -10.060 -19.049 1.00 0.00 H new ATOM 0 HA GLU A 105 29.767 -10.691 -19.769 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.816 -9.018 -20.694 1.00 0.00 H new ATOM 0 HB3 GLU A 105 28.792 -7.860 -19.813 1.00 0.00 H new ATOM 0 HG2 GLU A 105 29.789 -9.775 -21.980 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.589 -8.043 -22.151 1.00 0.00 H new ATOM 277 N LEU A 106 29.404 -8.559 -17.247 1.00 0.00 N ATOM 278 CA LEU A 106 30.119 -7.923 -16.148 1.00 0.00 C ATOM 279 C LEU A 106 30.804 -8.973 -15.266 1.00 0.00 C ATOM 280 O LEU A 106 31.906 -8.738 -14.779 1.00 0.00 O ATOM 281 CB LEU A 106 29.149 -7.068 -15.330 1.00 0.00 C ATOM 282 CG LEU A 106 28.666 -5.865 -16.159 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.515 -5.174 -15.425 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.813 -4.869 -16.359 1.00 0.00 C ATOM 0 H LEU A 106 28.405 -8.356 -17.270 1.00 0.00 H new ATOM 0 HA LEU A 106 30.897 -7.277 -16.556 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.295 -7.671 -15.020 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.639 -6.719 -14.421 1.00 0.00 H new ATOM 0 HG LEU A 106 28.326 -6.216 -17.133 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.170 -4.321 -16.010 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.694 -5.878 -15.292 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.860 -4.830 -14.450 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.461 -4.021 -16.947 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.163 -4.517 -15.388 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.633 -5.359 -16.884 1.00 0.00 H new ATOM 296 N VAL A 107 30.163 -10.131 -15.064 1.00 0.00 N ATOM 297 CA VAL A 107 30.746 -11.202 -14.267 1.00 0.00 C ATOM 298 C VAL A 107 31.926 -11.804 -15.031 1.00 0.00 C ATOM 299 O VAL A 107 32.972 -12.065 -14.449 1.00 0.00 O ATOM 300 CB VAL A 107 29.676 -12.262 -13.958 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.343 -13.544 -13.446 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.723 -11.728 -12.883 1.00 0.00 C ATOM 0 H VAL A 107 29.241 -10.344 -15.444 1.00 0.00 H new ATOM 0 HA VAL A 107 31.110 -10.811 -13.317 1.00 0.00 H new ATOM 0 HB VAL A 107 29.120 -12.482 -14.869 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.579 -14.290 -13.229 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.022 -13.930 -14.207 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.904 -13.325 -12.537 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.964 -12.479 -12.664 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.286 -11.505 -11.976 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.240 -10.819 -13.243 1.00 0.00 H new ATOM 312 N GLN A 108 31.756 -12.012 -16.339 1.00 0.00 N ATOM 313 CA GLN A 108 32.816 -12.543 -17.184 1.00 0.00 C ATOM 314 C GLN A 108 34.012 -11.582 -17.179 1.00 0.00 C ATOM 315 O GLN A 108 35.162 -12.016 -17.196 1.00 0.00 O ATOM 316 CB GLN A 108 32.263 -12.726 -18.606 1.00 0.00 C ATOM 317 CG GLN A 108 33.381 -13.136 -19.570 1.00 0.00 C ATOM 318 CD GLN A 108 32.826 -13.367 -20.971 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.853 -14.487 -21.474 1.00 0.00 O ATOM 320 NE2 GLN A 108 32.321 -12.305 -21.603 1.00 0.00 N ATOM 0 H GLN A 108 30.886 -11.817 -16.834 1.00 0.00 H new ATOM 0 HA GLN A 108 33.157 -13.507 -16.806 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.481 -13.485 -18.603 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.804 -11.798 -18.946 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.145 -12.360 -19.600 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.863 -14.045 -19.210 1.00 0.00 H new ATOM 0 HE21 GLN A 108 32.319 -11.393 -21.146 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.937 -12.406 -22.542 1.00 0.00 H new ATOM 329 N LYS A 109 33.725 -10.276 -17.162 1.00 0.00 N ATOM 330 CA LYS A 109 34.746 -9.245 -17.191 1.00 0.00 C ATOM 331 C LYS A 109 35.483 -9.170 -15.851 1.00 0.00 C ATOM 332 O LYS A 109 36.704 -9.311 -15.809 1.00 0.00 O ATOM 333 CB LYS A 109 34.070 -7.907 -17.521 1.00 0.00 C ATOM 334 CG LYS A 109 35.120 -6.859 -17.904 1.00 0.00 C ATOM 335 CD LYS A 109 34.850 -6.369 -19.332 1.00 0.00 C ATOM 336 CE LYS A 109 35.820 -5.239 -19.692 1.00 0.00 C ATOM 337 NZ LYS A 109 35.496 -4.003 -18.957 1.00 0.00 N ATOM 0 H LYS A 109 32.773 -9.912 -17.128 1.00 0.00 H new ATOM 0 HA LYS A 109 35.489 -9.481 -17.953 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.365 -8.041 -18.341 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.497 -7.560 -16.661 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.085 -6.021 -17.207 1.00 0.00 H new ATOM 0 HG3 LYS A 109 36.120 -7.288 -17.837 1.00 0.00 H new ATOM 0 HD2 LYS A 109 34.963 -7.194 -20.035 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.822 -6.017 -19.416 1.00 0.00 H new ATOM 0 HE2 LYS A 109 36.840 -5.545 -19.462 1.00 0.00 H new ATOM 0 HE3 LYS A 109 35.779 -5.049 -20.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 36.029 -3.208 -19.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 34.477 -3.811 -19.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 35.753 -4.117 -17.956 1.00 0.00 H new ATOM 351 N TYR A 110 34.740 -8.936 -14.760 1.00 0.00 N ATOM 352 CA TYR A 110 35.325 -8.807 -13.432 1.00 0.00 C ATOM 353 C TYR A 110 35.393 -10.174 -12.749 1.00 0.00 C ATOM 354 O TYR A 110 36.474 -10.738 -12.596 1.00 0.00 O ATOM 355 CB TYR A 110 34.487 -7.823 -12.605 1.00 0.00 C ATOM 356 CG TYR A 110 34.460 -6.423 -13.184 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.657 -5.697 -13.328 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.238 -5.845 -13.579 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.632 -4.400 -13.867 1.00 0.00 C ATOM 360 CE2 TYR A 110 33.216 -4.547 -14.117 1.00 0.00 C ATOM 361 CZ TYR A 110 34.412 -3.826 -14.262 1.00 0.00 C ATOM 362 OH TYR A 110 34.388 -2.568 -14.787 1.00 0.00 O ATOM 0 H TYR A 110 33.725 -8.833 -14.780 1.00 0.00 H new ATOM 0 HA TYR A 110 36.342 -8.423 -13.515 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.466 -8.198 -12.532 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.884 -7.781 -11.591 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.595 -6.137 -13.024 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.318 -6.399 -13.468 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.551 -3.844 -13.978 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.279 -4.104 -14.419 1.00 0.00 H new ATOM 0 HH TYR A 110 33.465 -2.323 -15.008 1.00 0.00 H new ATOM 372 N GLY A 111 34.235 -10.697 -12.337 1.00 0.00 N ATOM 373 CA GLY A 111 34.152 -11.984 -11.664 1.00 0.00 C ATOM 374 C GLY A 111 32.825 -12.078 -10.913 1.00 0.00 C ATOM 375 O GLY A 111 32.053 -11.120 -10.909 1.00 0.00 O ATOM 0 H GLY A 111 33.334 -10.237 -12.463 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.230 -12.793 -12.391 1.00 0.00 H new ATOM 0 HA3 GLY A 111 34.985 -12.098 -10.970 1.00 0.00 H new ATOM 379 N PRO A 112 32.554 -13.230 -10.267 1.00 0.00 N ATOM 380 CA PRO A 112 31.333 -13.443 -9.501 1.00 0.00 C ATOM 381 C PRO A 112 31.372 -12.676 -8.162 1.00 0.00 C ATOM 382 O PRO A 112 30.782 -13.117 -7.176 1.00 0.00 O ATOM 383 CB PRO A 112 31.272 -14.961 -9.277 1.00 0.00 C ATOM 384 CG PRO A 112 32.675 -15.503 -9.582 1.00 0.00 C ATOM 385 CD PRO A 112 33.439 -14.375 -10.278 1.00 0.00 C ATOM 0 HA PRO A 112 30.451 -13.073 -10.023 1.00 0.00 H new ATOM 0 HB2 PRO A 112 30.982 -15.191 -8.252 1.00 0.00 H new ATOM 0 HB3 PRO A 112 30.529 -15.420 -9.929 1.00 0.00 H new ATOM 0 HG2 PRO A 112 33.181 -15.805 -8.665 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.619 -16.384 -10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.370 -14.154 -9.756 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.704 -14.654 -11.298 1.00 0.00 H new ATOM 393 N LYS A 113 32.068 -11.529 -8.134 1.00 0.00 N ATOM 394 CA LYS A 113 32.197 -10.703 -6.942 1.00 0.00 C ATOM 395 C LYS A 113 32.072 -9.236 -7.361 1.00 0.00 C ATOM 396 O LYS A 113 31.595 -8.947 -8.457 1.00 0.00 O ATOM 397 CB LYS A 113 33.563 -10.963 -6.270 1.00 0.00 C ATOM 398 CG LYS A 113 33.735 -12.448 -5.908 1.00 0.00 C ATOM 399 CD LYS A 113 32.830 -12.816 -4.725 1.00 0.00 C ATOM 400 CE LYS A 113 32.976 -14.308 -4.416 1.00 0.00 C ATOM 401 NZ LYS A 113 32.063 -14.717 -3.333 1.00 0.00 N ATOM 0 H LYS A 113 32.557 -11.154 -8.947 1.00 0.00 H new ATOM 0 HA LYS A 113 31.415 -10.947 -6.223 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.365 -10.655 -6.941 1.00 0.00 H new ATOM 0 HB3 LYS A 113 33.649 -10.355 -5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 113 33.490 -13.070 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 113 34.776 -12.649 -5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 113 33.099 -12.224 -3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 113 31.792 -12.582 -4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 113 32.766 -14.891 -5.313 1.00 0.00 H new ATOM 0 HE3 LYS A 113 34.005 -14.524 -4.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 32.182 -15.733 -3.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 32.281 -14.176 -2.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 31.080 -14.531 -3.619 1.00 0.00 H new ATOM 415 N ARG A 114 32.503 -8.311 -6.487 1.00 0.00 N ATOM 416 CA ARG A 114 32.446 -6.880 -6.771 1.00 0.00 C ATOM 417 C ARG A 114 31.027 -6.493 -7.189 1.00 0.00 C ATOM 418 O ARG A 114 30.827 -5.827 -8.205 1.00 0.00 O ATOM 419 CB ARG A 114 33.462 -6.526 -7.868 1.00 0.00 C ATOM 420 CG ARG A 114 34.871 -6.941 -7.432 1.00 0.00 C ATOM 421 CD ARG A 114 35.869 -6.596 -8.538 1.00 0.00 C ATOM 422 NE ARG A 114 37.222 -7.043 -8.181 1.00 0.00 N ATOM 423 CZ ARG A 114 38.245 -7.056 -9.054 1.00 0.00 C ATOM 424 NH1 ARG A 114 38.066 -6.621 -10.310 1.00 0.00 N ATOM 425 NH2 ARG A 114 39.446 -7.507 -8.669 1.00 0.00 N ATOM 0 H ARG A 114 32.896 -8.538 -5.574 1.00 0.00 H new ATOM 0 HA ARG A 114 32.704 -6.318 -5.873 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.197 -7.030 -8.797 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.435 -5.455 -8.068 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.143 -6.429 -6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.898 -8.010 -7.223 1.00 0.00 H new ATOM 0 HD2 ARG A 114 35.561 -7.067 -9.471 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.871 -5.520 -8.709 1.00 0.00 H new ATOM 0 HE ARG A 114 37.394 -7.358 -7.226 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.152 -6.279 -10.606 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.844 -6.632 -10.969 1.00 0.00 H new ATOM 0 HH21 ARG A 114 39.584 -7.840 -7.715 1.00 0.00 H new ATOM 0 HH22 ARG A 114 40.223 -7.517 -9.330 1.00 0.00 H new ATOM 439 N TRP A 115 30.041 -6.918 -6.395 1.00 0.00 N ATOM 440 CA TRP A 115 28.644 -6.640 -6.679 1.00 0.00 C ATOM 441 C TRP A 115 28.368 -5.139 -6.605 1.00 0.00 C ATOM 442 O TRP A 115 27.398 -4.664 -7.187 1.00 0.00 O ATOM 443 CB TRP A 115 27.774 -7.440 -5.712 1.00 0.00 C ATOM 444 CG TRP A 115 27.913 -8.918 -5.899 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.389 -9.791 -4.995 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.611 -9.713 -7.083 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.423 -11.065 -5.514 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.951 -11.075 -6.816 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.090 -9.423 -8.364 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.789 -12.086 -7.768 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.921 -10.440 -9.324 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.275 -11.764 -9.029 1.00 0.00 C ATOM 0 H TRP A 115 30.194 -7.460 -5.545 1.00 0.00 H new ATOM 0 HA TRP A 115 28.399 -6.949 -7.695 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.043 -7.180 -4.688 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.730 -7.157 -5.849 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.703 -9.528 -3.996 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.751 -11.889 -5.009 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.818 -8.407 -8.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 28.058 -13.105 -7.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.515 -10.198 -10.295 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.151 -12.535 -9.775 1.00 0.00 H new ATOM 463 N SER A 116 29.233 -4.390 -5.909 1.00 0.00 N ATOM 464 CA SER A 116 29.109 -2.944 -5.836 1.00 0.00 C ATOM 465 C SER A 116 29.404 -2.351 -7.217 1.00 0.00 C ATOM 466 O SER A 116 28.699 -1.455 -7.674 1.00 0.00 O ATOM 467 CB SER A 116 30.083 -2.402 -4.786 1.00 0.00 C ATOM 468 OG SER A 116 29.947 -1.000 -4.693 1.00 0.00 O ATOM 0 H SER A 116 30.025 -4.770 -5.390 1.00 0.00 H new ATOM 0 HA SER A 116 28.098 -2.663 -5.541 1.00 0.00 H new ATOM 0 HB2 SER A 116 29.883 -2.862 -3.818 1.00 0.00 H new ATOM 0 HB3 SER A 116 31.107 -2.661 -5.057 1.00 0.00 H new ATOM 0 HG SER A 116 30.570 -0.655 -4.020 1.00 0.00 H new ATOM 474 N VAL A 117 30.452 -2.867 -7.879 1.00 0.00 N ATOM 475 CA VAL A 117 30.841 -2.411 -9.207 1.00 0.00 C ATOM 476 C VAL A 117 29.743 -2.770 -10.209 1.00 0.00 C ATOM 477 O VAL A 117 29.326 -1.931 -11.004 1.00 0.00 O ATOM 478 CB VAL A 117 32.180 -3.065 -9.595 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.542 -2.716 -11.042 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.287 -2.563 -8.662 1.00 0.00 C ATOM 0 H VAL A 117 31.045 -3.607 -7.504 1.00 0.00 H new ATOM 0 HA VAL A 117 30.969 -1.329 -9.212 1.00 0.00 H new ATOM 0 HB VAL A 117 32.082 -4.147 -9.503 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.491 -3.185 -11.303 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.762 -3.080 -11.710 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.632 -1.634 -11.144 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.234 -3.027 -8.938 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.374 -1.480 -8.750 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.042 -2.824 -7.633 1.00 0.00 H new ATOM 490 N ILE A 118 29.277 -4.022 -10.164 1.00 0.00 N ATOM 491 CA ILE A 118 28.229 -4.490 -11.060 1.00 0.00 C ATOM 492 C ILE A 118 26.967 -3.640 -10.867 1.00 0.00 C ATOM 493 O ILE A 118 26.366 -3.192 -11.844 1.00 0.00 O ATOM 494 CB ILE A 118 27.969 -5.983 -10.787 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.191 -6.795 -11.258 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.718 -6.448 -11.546 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.191 -8.185 -10.622 1.00 0.00 C ATOM 0 H ILE A 118 29.615 -4.729 -9.511 1.00 0.00 H new ATOM 0 HA ILE A 118 28.537 -4.384 -12.100 1.00 0.00 H new ATOM 0 HB ILE A 118 27.808 -6.136 -9.720 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.177 -6.886 -12.344 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.108 -6.268 -10.994 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.543 -7.505 -11.346 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.856 -5.869 -11.216 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.866 -6.301 -12.616 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.062 -8.743 -10.967 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.228 -8.089 -9.537 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.283 -8.716 -10.908 1.00 0.00 H new ATOM 509 N ALA A 119 26.573 -3.409 -9.606 1.00 0.00 N ATOM 510 CA ALA A 119 25.402 -2.598 -9.295 1.00 0.00 C ATOM 511 C ALA A 119 25.592 -1.174 -9.823 1.00 0.00 C ATOM 512 O ALA A 119 24.648 -0.569 -10.324 1.00 0.00 O ATOM 513 CB ALA A 119 25.180 -2.585 -7.783 1.00 0.00 C ATOM 0 H ALA A 119 27.055 -3.777 -8.786 1.00 0.00 H new ATOM 0 HA ALA A 119 24.525 -3.027 -9.779 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.305 -1.979 -7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.021 -3.604 -7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.056 -2.163 -7.290 1.00 0.00 H new ATOM 519 N LYS A 120 26.820 -0.645 -9.710 1.00 0.00 N ATOM 520 CA LYS A 120 27.143 0.697 -10.188 1.00 0.00 C ATOM 521 C LYS A 120 26.750 0.850 -11.658 1.00 0.00 C ATOM 522 O LYS A 120 26.345 1.932 -12.080 1.00 0.00 O ATOM 523 CB LYS A 120 28.648 0.951 -10.017 1.00 0.00 C ATOM 524 CG LYS A 120 28.878 2.159 -9.110 1.00 0.00 C ATOM 525 CD LYS A 120 30.380 2.325 -8.862 1.00 0.00 C ATOM 526 CE LYS A 120 30.660 3.730 -8.328 1.00 0.00 C ATOM 527 NZ LYS A 120 32.074 3.876 -7.936 1.00 0.00 N ATOM 0 H LYS A 120 27.608 -1.136 -9.287 1.00 0.00 H new ATOM 0 HA LYS A 120 26.582 1.427 -9.604 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.127 0.070 -9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 120 29.108 1.124 -10.990 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.472 3.059 -9.573 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.354 2.023 -8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.725 1.578 -8.147 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.932 2.160 -9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.413 4.468 -9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.019 3.931 -7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 32.237 4.838 -7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 32.301 3.186 -7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.683 3.707 -8.762 1.00 0.00 H new ATOM 541 N HIS A 121 26.878 -0.231 -12.434 1.00 0.00 N ATOM 542 CA HIS A 121 26.561 -0.208 -13.848 1.00 0.00 C ATOM 543 C HIS A 121 25.067 -0.433 -14.031 1.00 0.00 C ATOM 544 O HIS A 121 24.429 0.253 -14.830 1.00 0.00 O ATOM 545 CB HIS A 121 27.386 -1.279 -14.562 1.00 0.00 C ATOM 546 CG HIS A 121 28.856 -1.164 -14.245 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.505 0.062 -14.134 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.827 -2.098 -13.993 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.791 -0.204 -13.833 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.055 -1.507 -13.733 1.00 0.00 N ATOM 0 H HIS A 121 27.203 -1.136 -12.094 1.00 0.00 H new ATOM 0 HA HIS A 121 26.811 0.760 -14.283 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.028 -2.267 -14.270 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.239 -1.192 -15.639 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.087 0.984 -14.257 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.657 -3.165 -13.996 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.536 0.564 -13.687 1.00 0.00 H new ATOM 558 N LEU A 122 24.504 -1.388 -13.280 1.00 0.00 N ATOM 559 CA LEU A 122 23.080 -1.666 -13.338 1.00 0.00 C ATOM 560 C LEU A 122 22.339 -0.644 -12.475 1.00 0.00 C ATOM 561 O LEU A 122 21.828 -0.978 -11.405 1.00 0.00 O ATOM 562 CB LEU A 122 22.803 -3.103 -12.863 1.00 0.00 C ATOM 563 CG LEU A 122 22.816 -4.066 -14.058 1.00 0.00 C ATOM 564 CD1 LEU A 122 24.247 -4.265 -14.564 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.238 -5.412 -13.624 1.00 0.00 C ATOM 0 H LEU A 122 25.021 -1.977 -12.627 1.00 0.00 H new ATOM 0 HA LEU A 122 22.724 -1.583 -14.365 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.556 -3.405 -12.135 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.837 -3.148 -12.360 1.00 0.00 H new ATOM 0 HG LEU A 122 22.214 -3.644 -14.863 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.241 -4.950 -15.412 1.00 0.00 H new ATOM 0 HD12 LEU A 122 24.659 -3.305 -14.876 1.00 0.00 H new ATOM 0 HD13 LEU A 122 24.861 -4.681 -13.765 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.245 -6.100 -14.469 1.00 0.00 H new ATOM 0 HD22 LEU A 122 22.842 -5.824 -12.816 1.00 0.00 H new ATOM 0 HD23 LEU A 122 21.214 -5.273 -13.277 1.00 0.00 H new ATOM 577 N LYS A 123 22.288 0.607 -12.952 1.00 0.00 N ATOM 578 CA LYS A 123 21.627 1.691 -12.241 1.00 0.00 C ATOM 579 C LYS A 123 20.142 1.370 -12.073 1.00 0.00 C ATOM 580 O LYS A 123 19.343 1.613 -12.976 1.00 0.00 O ATOM 581 CB LYS A 123 21.821 2.999 -13.016 1.00 0.00 C ATOM 582 CG LYS A 123 23.302 3.403 -12.989 1.00 0.00 C ATOM 583 CD LYS A 123 23.546 4.582 -13.939 1.00 0.00 C ATOM 584 CE LYS A 123 22.848 5.841 -13.410 1.00 0.00 C ATOM 585 NZ LYS A 123 23.220 7.024 -14.205 1.00 0.00 N ATOM 0 H LYS A 123 22.705 0.888 -13.840 1.00 0.00 H new ATOM 0 HA LYS A 123 22.065 1.805 -11.249 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.487 2.875 -14.046 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.211 3.788 -12.575 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.593 3.677 -11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.923 2.556 -13.281 1.00 0.00 H new ATOM 0 HD2 LYS A 123 24.616 4.764 -14.037 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.172 4.341 -14.934 1.00 0.00 H new ATOM 0 HE2 LYS A 123 21.767 5.702 -13.441 1.00 0.00 H new ATOM 0 HE3 LYS A 123 23.119 6.000 -12.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 22.735 7.863 -13.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 24.249 7.167 -14.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 22.939 6.879 -15.196 1.00 0.00 H new ATOM 599 N GLY A 124 19.786 0.819 -10.910 1.00 0.00 N ATOM 600 CA GLY A 124 18.419 0.437 -10.606 1.00 0.00 C ATOM 601 C GLY A 124 18.434 -0.672 -9.562 1.00 0.00 C ATOM 602 O GLY A 124 17.696 -0.619 -8.582 1.00 0.00 O ATOM 0 H GLY A 124 20.445 0.628 -10.155 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.862 1.297 -10.234 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.914 0.096 -11.510 1.00 0.00 H new ATOM 606 N ARG A 125 19.293 -1.675 -9.778 1.00 0.00 N ATOM 607 CA ARG A 125 19.441 -2.789 -8.854 1.00 0.00 C ATOM 608 C ARG A 125 20.544 -2.456 -7.853 1.00 0.00 C ATOM 609 O ARG A 125 21.237 -1.449 -8.005 1.00 0.00 O ATOM 610 CB ARG A 125 19.795 -4.059 -9.639 1.00 0.00 C ATOM 611 CG ARG A 125 18.651 -4.434 -10.589 1.00 0.00 C ATOM 612 CD ARG A 125 17.642 -5.340 -9.867 1.00 0.00 C ATOM 613 NE ARG A 125 16.354 -5.381 -10.579 1.00 0.00 N ATOM 614 CZ ARG A 125 16.231 -5.776 -11.858 1.00 0.00 C ATOM 615 NH1 ARG A 125 17.250 -6.372 -12.478 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.087 -5.573 -12.519 1.00 0.00 N ATOM 0 H ARG A 125 19.899 -1.731 -10.596 1.00 0.00 H new ATOM 0 HA ARG A 125 18.508 -2.960 -8.316 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.711 -3.900 -10.207 1.00 0.00 H new ATOM 0 HB3 ARG A 125 19.987 -4.880 -8.948 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.153 -3.532 -10.945 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.049 -4.945 -11.466 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.048 -6.348 -9.787 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.487 -4.977 -8.851 1.00 0.00 H new ATOM 0 HE ARG A 125 15.513 -5.096 -10.077 1.00 0.00 H new ATOM 0 HH11 ARG A 125 18.127 -6.530 -11.982 1.00 0.00 H new ATOM 0 HH12 ARG A 125 17.152 -6.670 -13.449 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.303 -5.117 -12.053 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.998 -5.874 -13.489 1.00 0.00 H new ATOM 630 N ILE A 126 20.710 -3.304 -6.833 1.00 0.00 N ATOM 631 CA ILE A 126 21.745 -3.112 -5.827 1.00 0.00 C ATOM 632 C ILE A 126 22.455 -4.443 -5.563 1.00 0.00 C ATOM 633 O ILE A 126 22.043 -5.487 -6.075 1.00 0.00 O ATOM 634 CB ILE A 126 21.159 -2.478 -4.538 1.00 0.00 C ATOM 635 CG1 ILE A 126 19.847 -3.158 -4.099 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.881 -0.993 -4.794 1.00 0.00 C ATOM 637 CD1 ILE A 126 20.151 -4.410 -3.283 1.00 0.00 C ATOM 0 H ILE A 126 20.134 -4.133 -6.687 1.00 0.00 H new ATOM 0 HA ILE A 126 22.489 -2.407 -6.199 1.00 0.00 H new ATOM 0 HB ILE A 126 21.891 -2.611 -3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.250 -2.465 -3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 126 19.254 -3.421 -4.975 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.469 -0.539 -3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.810 -0.490 -5.061 1.00 0.00 H new ATOM 0 HG23 ILE A 126 20.166 -0.892 -5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.217 -4.882 -2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.729 -5.108 -3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 126 20.725 -4.137 -2.397 1.00 0.00 H new ATOM 649 N GLY A 127 23.540 -4.384 -4.779 1.00 0.00 N ATOM 650 CA GLY A 127 24.394 -5.535 -4.491 1.00 0.00 C ATOM 651 C GLY A 127 23.608 -6.813 -4.182 1.00 0.00 C ATOM 652 O GLY A 127 23.984 -7.888 -4.647 1.00 0.00 O ATOM 0 H GLY A 127 23.849 -3.525 -4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.047 -5.716 -5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.036 -5.298 -3.643 1.00 0.00 H new ATOM 656 N LYS A 128 22.532 -6.711 -3.393 1.00 0.00 N ATOM 657 CA LYS A 128 21.766 -7.883 -2.992 1.00 0.00 C ATOM 658 C LYS A 128 21.147 -8.540 -4.222 1.00 0.00 C ATOM 659 O LYS A 128 21.341 -9.726 -4.452 1.00 0.00 O ATOM 660 CB LYS A 128 20.681 -7.468 -1.981 1.00 0.00 C ATOM 661 CG LYS A 128 20.546 -8.519 -0.863 1.00 0.00 C ATOM 662 CD LYS A 128 20.109 -9.892 -1.417 1.00 0.00 C ATOM 663 CE LYS A 128 18.775 -9.798 -2.177 1.00 0.00 C ATOM 664 NZ LYS A 128 17.753 -9.072 -1.402 1.00 0.00 N ATOM 0 H LYS A 128 22.178 -5.829 -3.024 1.00 0.00 H new ATOM 0 HA LYS A 128 22.424 -8.608 -2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 128 20.932 -6.500 -1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 128 19.726 -7.350 -2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 128 21.499 -8.623 -0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 128 19.819 -8.176 -0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 128 20.881 -10.279 -2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 128 20.011 -10.602 -0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 128 18.935 -9.294 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 128 18.414 -10.801 -2.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.814 -9.468 -1.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.954 -9.169 -0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.769 -8.066 -1.663 1.00 0.00 H new ATOM 678 N GLN A 129 20.400 -7.759 -5.005 1.00 0.00 N ATOM 679 CA GLN A 129 19.732 -8.257 -6.193 1.00 0.00 C ATOM 680 C GLN A 129 20.747 -8.865 -7.158 1.00 0.00 C ATOM 681 O GLN A 129 20.565 -9.993 -7.611 1.00 0.00 O ATOM 682 CB GLN A 129 18.979 -7.104 -6.865 1.00 0.00 C ATOM 683 CG GLN A 129 17.551 -7.010 -6.321 1.00 0.00 C ATOM 684 CD GLN A 129 17.517 -6.511 -4.882 1.00 0.00 C ATOM 685 OE1 GLN A 129 17.662 -7.290 -3.944 1.00 0.00 O ATOM 686 NE2 GLN A 129 17.313 -5.206 -4.712 1.00 0.00 N ATOM 0 H GLN A 129 20.246 -6.766 -4.828 1.00 0.00 H new ATOM 0 HA GLN A 129 19.024 -9.036 -5.912 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.505 -6.166 -6.688 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.955 -7.257 -7.944 1.00 0.00 H new ATOM 0 HG2 GLN A 129 16.967 -6.339 -6.951 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.078 -7.990 -6.375 1.00 0.00 H new ATOM 0 HE21 GLN A 129 17.198 -4.598 -5.523 1.00 0.00 H new ATOM 0 HE22 GLN A 129 17.272 -4.815 -3.771 1.00 0.00 H new ATOM 695 N CYS A 130 21.808 -8.115 -7.477 1.00 0.00 N ATOM 696 CA CYS A 130 22.837 -8.579 -8.403 1.00 0.00 C ATOM 697 C CYS A 130 23.401 -9.926 -7.940 1.00 0.00 C ATOM 698 O CYS A 130 23.495 -10.863 -8.731 1.00 0.00 O ATOM 699 CB CYS A 130 23.952 -7.533 -8.504 1.00 0.00 C ATOM 700 SG CYS A 130 23.268 -5.989 -9.162 1.00 0.00 S ATOM 0 H CYS A 130 21.973 -7.180 -7.103 1.00 0.00 H new ATOM 0 HA CYS A 130 22.394 -8.716 -9.389 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.393 -7.359 -7.523 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.749 -7.896 -9.152 1.00 0.00 H new ATOM 0 HG CYS A 130 22.605 -5.375 -8.228 1.00 0.00 H new ATOM 706 N ARG A 131 23.774 -10.018 -6.656 1.00 0.00 N ATOM 707 CA ARG A 131 24.329 -11.244 -6.097 1.00 0.00 C ATOM 708 C ARG A 131 23.307 -12.376 -6.207 1.00 0.00 C ATOM 709 O ARG A 131 23.614 -13.433 -6.744 1.00 0.00 O ATOM 710 CB ARG A 131 24.726 -10.989 -4.630 1.00 0.00 C ATOM 711 CG ARG A 131 25.625 -12.123 -4.093 1.00 0.00 C ATOM 712 CD ARG A 131 24.789 -13.293 -3.550 1.00 0.00 C ATOM 713 NE ARG A 131 23.823 -12.842 -2.539 1.00 0.00 N ATOM 714 CZ ARG A 131 22.659 -13.474 -2.301 1.00 0.00 C ATOM 715 NH1 ARG A 131 22.425 -14.682 -2.830 1.00 0.00 N ATOM 716 NH2 ARG A 131 21.730 -12.890 -1.537 1.00 0.00 N ATOM 0 H ARG A 131 23.698 -9.251 -5.988 1.00 0.00 H new ATOM 0 HA ARG A 131 25.217 -11.543 -6.654 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.251 -10.037 -4.552 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.829 -10.910 -4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 131 26.278 -12.480 -4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.268 -11.736 -3.303 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.259 -13.775 -4.372 1.00 0.00 H new ATOM 0 HD3 ARG A 131 25.450 -14.042 -3.114 1.00 0.00 H new ATOM 0 HE ARG A 131 24.045 -12.010 -1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 131 23.131 -15.127 -3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 131 21.541 -15.157 -2.646 1.00 0.00 H new ATOM 0 HH21 ARG A 131 21.905 -11.968 -1.137 1.00 0.00 H new ATOM 0 HH22 ARG A 131 20.847 -13.366 -1.355 1.00 0.00 H new ATOM 730 N GLU A 132 22.096 -12.147 -5.689 1.00 0.00 N ATOM 731 CA GLU A 132 21.035 -13.146 -5.688 1.00 0.00 C ATOM 732 C GLU A 132 20.812 -13.702 -7.093 1.00 0.00 C ATOM 733 O GLU A 132 20.891 -14.909 -7.294 1.00 0.00 O ATOM 734 CB GLU A 132 19.750 -12.503 -5.136 1.00 0.00 C ATOM 735 CG GLU A 132 18.800 -13.578 -4.601 1.00 0.00 C ATOM 736 CD GLU A 132 19.304 -14.137 -3.275 1.00 0.00 C ATOM 737 OE1 GLU A 132 19.183 -13.406 -2.266 1.00 0.00 O ATOM 738 OE2 GLU A 132 19.809 -15.281 -3.290 1.00 0.00 O ATOM 0 H GLU A 132 21.829 -11.261 -5.259 1.00 0.00 H new ATOM 0 HA GLU A 132 21.321 -13.983 -5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 132 20.000 -11.802 -4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.256 -11.931 -5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 132 17.804 -13.155 -4.467 1.00 0.00 H new ATOM 0 HG3 GLU A 132 18.709 -14.384 -5.329 1.00 0.00 H new ATOM 745 N ARG A 133 20.532 -12.823 -8.060 1.00 0.00 N ATOM 746 CA ARG A 133 20.268 -13.234 -9.433 1.00 0.00 C ATOM 747 C ARG A 133 21.298 -14.262 -9.899 1.00 0.00 C ATOM 748 O ARG A 133 20.945 -15.238 -10.564 1.00 0.00 O ATOM 749 CB ARG A 133 20.298 -11.995 -10.340 1.00 0.00 C ATOM 750 CG ARG A 133 19.855 -12.354 -11.767 1.00 0.00 C ATOM 751 CD ARG A 133 18.421 -12.891 -11.760 1.00 0.00 C ATOM 752 NE ARG A 133 17.866 -12.913 -13.116 1.00 0.00 N ATOM 753 CZ ARG A 133 16.664 -13.435 -13.411 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.992 -14.143 -12.496 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.138 -13.245 -14.625 1.00 0.00 N ATOM 0 H ARG A 133 20.483 -11.815 -7.910 1.00 0.00 H new ATOM 0 HA ARG A 133 19.285 -13.702 -9.485 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.642 -11.225 -9.934 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.305 -11.578 -10.361 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.918 -11.474 -12.407 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.528 -13.101 -12.187 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.407 -13.897 -11.340 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.798 -12.269 -11.118 1.00 0.00 H new ATOM 0 HE ARG A 133 18.420 -12.512 -13.873 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.392 -14.289 -11.569 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.080 -14.537 -12.725 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.649 -12.705 -15.323 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.226 -13.640 -14.853 1.00 0.00 H new ATOM 769 N TRP A 134 22.570 -14.038 -9.559 1.00 0.00 N ATOM 770 CA TRP A 134 23.636 -14.916 -9.987 1.00 0.00 C ATOM 771 C TRP A 134 23.691 -16.191 -9.137 1.00 0.00 C ATOM 772 O TRP A 134 23.686 -17.291 -9.678 1.00 0.00 O ATOM 773 CB TRP A 134 24.968 -14.167 -9.931 1.00 0.00 C ATOM 774 CG TRP A 134 25.991 -14.730 -10.855 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.083 -15.427 -10.498 1.00 0.00 C ATOM 776 CD2 TRP A 134 26.008 -14.695 -12.310 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.779 -15.845 -11.605 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.149 -15.425 -12.765 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.167 -14.135 -13.302 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.428 -15.599 -14.121 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.447 -14.308 -14.664 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.566 -15.047 -15.076 1.00 0.00 C ATOM 0 H TRP A 134 22.876 -13.251 -8.987 1.00 0.00 H new ATOM 0 HA TRP A 134 23.440 -15.224 -11.014 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.800 -13.119 -10.179 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.352 -14.196 -8.911 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.374 -15.631 -9.478 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.641 -16.390 -11.577 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.298 -13.567 -13.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.301 -16.154 -14.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.795 -13.868 -15.404 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.762 -15.190 -16.128 1.00 0.00 H new ATOM 793 N HIS A 135 23.755 -16.048 -7.809 1.00 0.00 N ATOM 794 CA HIS A 135 23.891 -17.192 -6.906 1.00 0.00 C ATOM 795 C HIS A 135 22.571 -17.970 -6.748 1.00 0.00 C ATOM 796 O HIS A 135 22.332 -18.564 -5.698 1.00 0.00 O ATOM 797 CB HIS A 135 24.400 -16.693 -5.550 1.00 0.00 C ATOM 798 CG HIS A 135 25.847 -16.272 -5.602 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.882 -17.095 -5.172 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.466 -15.126 -6.033 1.00 0.00 C ATOM 801 CE1 HIS A 135 28.028 -16.412 -5.364 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.844 -15.200 -5.886 1.00 0.00 N ATOM 0 H HIS A 135 23.714 -15.146 -7.335 1.00 0.00 H new ATOM 0 HA HIS A 135 24.608 -17.891 -7.337 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.790 -15.851 -5.223 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.280 -17.481 -4.807 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.945 -14.271 -6.437 1.00 0.00 H new ATOM 0 HE1 HIS A 135 29.002 -16.809 -5.118 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.545 -14.497 -6.121 1.00 0.00 H new ATOM 810 N ASN A 136 21.729 -17.984 -7.791 1.00 0.00 N ATOM 811 CA ASN A 136 20.486 -18.750 -7.786 1.00 0.00 C ATOM 812 C ASN A 136 20.415 -19.585 -9.048 1.00 0.00 C ATOM 813 O ASN A 136 20.611 -20.797 -9.010 1.00 0.00 O ATOM 814 CB ASN A 136 19.277 -17.811 -7.718 1.00 0.00 C ATOM 815 CG ASN A 136 18.954 -17.449 -6.284 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.919 -17.844 -5.756 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.840 -16.699 -5.660 1.00 0.00 N ATOM 0 H ASN A 136 21.894 -17.466 -8.654 1.00 0.00 H new ATOM 0 HA ASN A 136 20.469 -19.398 -6.910 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.482 -16.905 -8.288 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.413 -18.290 -8.180 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.681 -16.420 -4.692 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.685 -16.397 -6.145 1.00 0.00 H new ATOM 824 N HIS A 137 20.121 -18.921 -10.165 1.00 0.00 N ATOM 825 CA HIS A 137 19.973 -19.594 -11.456 1.00 0.00 C ATOM 826 C HIS A 137 21.237 -19.432 -12.310 1.00 0.00 C ATOM 827 O HIS A 137 21.886 -20.423 -12.639 1.00 0.00 O ATOM 828 CB HIS A 137 18.732 -19.059 -12.201 1.00 0.00 C ATOM 829 CG HIS A 137 17.987 -17.987 -11.446 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.971 -18.271 -10.541 1.00 0.00 N ATOM 831 CD2 HIS A 137 18.087 -16.620 -11.445 1.00 0.00 C ATOM 832 CE1 HIS A 137 16.534 -17.088 -10.063 1.00 0.00 C ATOM 833 NE2 HIS A 137 17.175 -16.038 -10.577 1.00 0.00 N ATOM 0 H HIS A 137 19.980 -17.912 -10.202 1.00 0.00 H new ATOM 0 HA HIS A 137 19.832 -20.659 -11.272 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.043 -18.661 -13.167 1.00 0.00 H new ATOM 0 HB3 HIS A 137 18.054 -19.888 -12.401 1.00 0.00 H new ATOM 0 HD1 HIS A 137 16.623 -19.196 -10.287 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.790 -16.064 -12.047 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.742 -17.000 -9.334 1.00 0.00 H new ATOM 841 N LEU A 138 21.580 -18.189 -12.681 1.00 0.00 N ATOM 842 CA LEU A 138 22.737 -17.933 -13.534 1.00 0.00 C ATOM 843 C LEU A 138 24.031 -18.119 -12.748 1.00 0.00 C ATOM 844 O LEU A 138 24.582 -17.153 -12.240 1.00 0.00 O ATOM 845 CB LEU A 138 22.675 -16.502 -14.093 1.00 0.00 C ATOM 846 CG LEU A 138 21.706 -16.418 -15.280 1.00 0.00 C ATOM 847 CD1 LEU A 138 20.302 -16.077 -14.786 1.00 0.00 C ATOM 848 CD2 LEU A 138 22.175 -15.324 -16.239 1.00 0.00 C ATOM 0 H LEU A 138 21.070 -17.351 -12.401 1.00 0.00 H new ATOM 0 HA LEU A 138 22.720 -18.644 -14.360 1.00 0.00 H new ATOM 0 HB2 LEU A 138 22.356 -15.815 -13.309 1.00 0.00 H new ATOM 0 HB3 LEU A 138 23.670 -16.187 -14.408 1.00 0.00 H new ATOM 0 HG LEU A 138 21.686 -17.380 -15.791 1.00 0.00 H new ATOM 0 HD11 LEU A 138 19.621 -16.020 -15.635 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.960 -16.851 -14.099 1.00 0.00 H new ATOM 0 HD13 LEU A 138 20.321 -15.117 -14.271 1.00 0.00 H new ATOM 0 HD21 LEU A 138 21.489 -15.262 -17.084 1.00 0.00 H new ATOM 0 HD22 LEU A 138 22.196 -14.367 -15.717 1.00 0.00 H new ATOM 0 HD23 LEU A 138 23.175 -15.562 -16.601 1.00 0.00 H new