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 110 TYR OH : rot -118:sc= 0.00221 USER MOD Set 1.2: A 121 HIS : no HE2:sc= -0.182 K(o=-0.18,f=-1) USER MOD Set 2.1: A 97 LYS NZ :NH3+ -149:sc= 2.53 (180deg=0.825) USER MOD Set 2.2: A 101 GLN : amide:sc= 0.751 K(o=3.3,f=-8.9!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.461 USER MOD Single : A 108 GLN : amide:sc=-0.00201 X(o=-0.002,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -171:sc= -0.482 (180deg=-0.852) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0.00828 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 128 LYS NZ :NH3+ -179:sc= 0.457 (180deg=0.379) USER MOD Single : A 129 GLN : amide:sc= -0.0681 K(o=-0.068,f=-5.9!) USER MOD Single : A 130 CYS SG : rot 88:sc=-0.000307 USER MOD Single : A 135 HIS : no HD1:sc= -0.0662 X(o=-0.066,f=-0.079) USER MOD Single : A 136 ASN : amide:sc= 0.0735 X(o=0.073,f=-0.18) USER MOD Single : A 137 HIS : no HE2:sc= -0.0861 K(o=-0.086,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.271 -8.818 -12.908 1.00 0.00 N ATOM 85 CA TRP A 95 14.448 -8.793 -13.765 1.00 0.00 C ATOM 86 C TRP A 95 14.031 -9.030 -15.215 1.00 0.00 C ATOM 87 O TRP A 95 12.930 -9.516 -15.475 1.00 0.00 O ATOM 88 CB TRP A 95 15.429 -9.875 -13.303 1.00 0.00 C ATOM 89 CG TRP A 95 16.420 -9.418 -12.282 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.177 -9.244 -10.971 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.821 -9.065 -12.466 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.305 -8.810 -10.316 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.363 -8.677 -11.199 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.697 -9.027 -13.575 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.692 -8.272 -11.046 1.00 0.00 C ATOM 96 CZ3 TRP A 95 20.037 -8.619 -13.424 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.532 -8.241 -12.163 1.00 0.00 C ATOM 0 HA TRP A 95 14.936 -7.821 -13.699 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.862 -10.710 -12.892 1.00 0.00 H new ATOM 0 HB3 TRP A 95 15.969 -10.253 -14.171 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.223 -9.421 -10.496 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.356 -8.613 -9.316 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.334 -9.315 -14.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 20.066 -7.986 -10.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.690 -8.596 -14.284 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.560 -7.927 -12.058 1.00 0.00 H new ATOM 108 N THR A 96 14.919 -8.683 -16.157 1.00 0.00 N ATOM 109 CA THR A 96 14.658 -8.854 -17.581 1.00 0.00 C ATOM 110 C THR A 96 15.847 -9.561 -18.227 1.00 0.00 C ATOM 111 O THR A 96 16.954 -9.508 -17.703 1.00 0.00 O ATOM 112 CB THR A 96 14.421 -7.481 -18.236 1.00 0.00 C ATOM 113 OG1 THR A 96 15.657 -6.831 -18.452 1.00 0.00 O ATOM 114 CG2 THR A 96 13.544 -6.608 -17.333 1.00 0.00 C ATOM 0 H THR A 96 15.832 -8.279 -15.948 1.00 0.00 H new ATOM 0 HA THR A 96 13.764 -9.461 -17.724 1.00 0.00 H new ATOM 0 HB THR A 96 13.916 -7.634 -19.190 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.499 -5.959 -18.870 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.384 -5.640 -17.807 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.583 -7.098 -17.175 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.040 -6.464 -16.373 1.00 0.00 H new ATOM 122 N LYS A 97 15.617 -10.220 -19.370 1.00 0.00 N ATOM 123 CA LYS A 97 16.679 -10.923 -20.081 1.00 0.00 C ATOM 124 C LYS A 97 17.787 -9.937 -20.455 1.00 0.00 C ATOM 125 O LYS A 97 18.968 -10.281 -20.400 1.00 0.00 O ATOM 126 CB LYS A 97 16.088 -11.603 -21.330 1.00 0.00 C ATOM 127 CG LYS A 97 17.195 -12.254 -22.181 1.00 0.00 C ATOM 128 CD LYS A 97 17.746 -13.510 -21.485 1.00 0.00 C ATOM 129 CE LYS A 97 19.234 -13.677 -21.816 1.00 0.00 C ATOM 130 NZ LYS A 97 20.066 -12.754 -21.019 1.00 0.00 N ATOM 0 H LYS A 97 14.702 -10.278 -19.818 1.00 0.00 H new ATOM 0 HA LYS A 97 17.114 -11.692 -19.443 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.364 -12.360 -21.028 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.550 -10.868 -21.928 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.799 -12.519 -23.161 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.002 -11.540 -22.346 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.611 -13.428 -20.407 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.191 -14.390 -21.810 1.00 0.00 H new ATOM 0 HE2 LYS A 97 19.539 -14.705 -21.622 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.396 -13.492 -22.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 20.911 -12.490 -21.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.518 -11.899 -20.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 20.356 -13.222 -20.137 1.00 0.00 H new ATOM 144 N GLU A 98 17.403 -8.714 -20.831 1.00 0.00 N ATOM 145 CA GLU A 98 18.357 -7.680 -21.194 1.00 0.00 C ATOM 146 C GLU A 98 19.234 -7.357 -19.986 1.00 0.00 C ATOM 147 O GLU A 98 20.455 -7.278 -20.103 1.00 0.00 O ATOM 148 CB GLU A 98 17.592 -6.438 -21.674 1.00 0.00 C ATOM 149 CG GLU A 98 18.574 -5.384 -22.209 1.00 0.00 C ATOM 150 CD GLU A 98 18.649 -4.170 -21.287 1.00 0.00 C ATOM 151 OE1 GLU A 98 18.830 -4.384 -20.069 1.00 0.00 O ATOM 152 OE2 GLU A 98 18.532 -3.046 -21.817 1.00 0.00 O ATOM 0 H GLU A 98 16.428 -8.421 -20.890 1.00 0.00 H new ATOM 0 HA GLU A 98 19.002 -8.023 -22.003 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.885 -6.717 -22.455 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.010 -6.020 -20.852 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.565 -5.827 -22.311 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.263 -5.067 -23.205 1.00 0.00 H new ATOM 159 N GLU A 99 18.604 -7.178 -18.822 1.00 0.00 N ATOM 160 CA GLU A 99 19.317 -6.872 -17.597 1.00 0.00 C ATOM 161 C GLU A 99 20.244 -8.034 -17.231 1.00 0.00 C ATOM 162 O GLU A 99 21.393 -7.819 -16.847 1.00 0.00 O ATOM 163 CB GLU A 99 18.299 -6.603 -16.489 1.00 0.00 C ATOM 164 CG GLU A 99 18.953 -5.801 -15.369 1.00 0.00 C ATOM 165 CD GLU A 99 17.927 -5.407 -14.324 1.00 0.00 C ATOM 166 OE1 GLU A 99 17.240 -6.322 -13.827 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.844 -4.194 -14.044 1.00 0.00 O ATOM 0 H GLU A 99 17.592 -7.242 -18.711 1.00 0.00 H new ATOM 0 HA GLU A 99 19.935 -5.984 -17.730 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.447 -6.055 -16.891 1.00 0.00 H new ATOM 0 HB3 GLU A 99 17.916 -7.546 -16.098 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.743 -6.391 -14.906 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.422 -4.907 -15.781 1.00 0.00 H new ATOM 174 N ASP A 100 19.743 -9.268 -17.363 1.00 0.00 N ATOM 175 CA ASP A 100 20.533 -10.456 -17.082 1.00 0.00 C ATOM 176 C ASP A 100 21.760 -10.475 -17.991 1.00 0.00 C ATOM 177 O ASP A 100 22.849 -10.825 -17.551 1.00 0.00 O ATOM 178 CB ASP A 100 19.675 -11.709 -17.293 1.00 0.00 C ATOM 179 CG ASP A 100 18.919 -12.069 -16.027 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.555 -12.658 -15.129 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.715 -11.750 -15.975 1.00 0.00 O ATOM 0 H ASP A 100 18.788 -9.462 -17.665 1.00 0.00 H new ATOM 0 HA ASP A 100 20.868 -10.442 -16.045 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.970 -11.539 -18.106 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.310 -12.543 -17.591 1.00 0.00 H new ATOM 186 N GLN A 101 21.582 -10.091 -19.263 1.00 0.00 N ATOM 187 CA GLN A 101 22.684 -10.045 -20.215 1.00 0.00 C ATOM 188 C GLN A 101 23.784 -9.120 -19.688 1.00 0.00 C ATOM 189 O GLN A 101 24.967 -9.445 -19.787 1.00 0.00 O ATOM 190 CB GLN A 101 22.167 -9.565 -21.579 1.00 0.00 C ATOM 191 CG GLN A 101 23.169 -9.934 -22.682 1.00 0.00 C ATOM 192 CD GLN A 101 23.239 -11.447 -22.895 1.00 0.00 C ATOM 193 OE1 GLN A 101 22.344 -12.183 -22.479 1.00 0.00 O ATOM 194 NE2 GLN A 101 24.305 -11.910 -23.545 1.00 0.00 N ATOM 0 H GLN A 101 20.681 -9.809 -19.650 1.00 0.00 H new ATOM 0 HA GLN A 101 23.106 -11.042 -20.338 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.199 -10.019 -21.790 1.00 0.00 H new ATOM 0 HB3 GLN A 101 22.016 -8.486 -21.560 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.881 -9.448 -23.614 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.157 -9.557 -22.418 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.023 -11.264 -23.872 1.00 0.00 H new ATOM 0 HE22 GLN A 101 24.403 -12.911 -23.716 1.00 0.00 H new ATOM 203 N ARG A 102 23.393 -7.969 -19.121 1.00 0.00 N ATOM 204 CA ARG A 102 24.353 -7.025 -18.568 1.00 0.00 C ATOM 205 C ARG A 102 25.090 -7.673 -17.397 1.00 0.00 C ATOM 206 O ARG A 102 26.305 -7.558 -17.297 1.00 0.00 O ATOM 207 CB ARG A 102 23.640 -5.747 -18.116 1.00 0.00 C ATOM 208 CG ARG A 102 23.023 -5.035 -19.322 1.00 0.00 C ATOM 209 CD ARG A 102 22.223 -3.821 -18.843 1.00 0.00 C ATOM 210 NE ARG A 102 21.400 -3.271 -19.927 1.00 0.00 N ATOM 211 CZ ARG A 102 21.884 -2.476 -20.898 1.00 0.00 C ATOM 212 NH1 ARG A 102 23.187 -2.160 -20.928 1.00 0.00 N ATOM 213 NH2 ARG A 102 21.062 -1.998 -21.840 1.00 0.00 N ATOM 0 H ARG A 102 22.419 -7.677 -19.037 1.00 0.00 H new ATOM 0 HA ARG A 102 25.078 -6.756 -19.337 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.863 -5.991 -17.391 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.346 -5.085 -17.615 1.00 0.00 H new ATOM 0 HG2 ARG A 102 23.806 -4.719 -20.011 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.374 -5.719 -19.869 1.00 0.00 H new ATOM 0 HD2 ARG A 102 21.585 -4.108 -18.007 1.00 0.00 H new ATOM 0 HD3 ARG A 102 22.905 -3.054 -18.475 1.00 0.00 H new ATOM 0 HE ARG A 102 20.407 -3.504 -19.945 1.00 0.00 H new ATOM 0 HH11 ARG A 102 23.816 -2.523 -20.212 1.00 0.00 H new ATOM 0 HH12 ARG A 102 23.549 -1.557 -21.667 1.00 0.00 H new ATOM 0 HH21 ARG A 102 20.071 -2.237 -21.821 1.00 0.00 H new ATOM 0 HH22 ARG A 102 21.427 -1.395 -22.577 1.00 0.00 H new ATOM 227 N VAL A 103 24.354 -8.360 -16.511 1.00 0.00 N ATOM 228 CA VAL A 103 24.962 -9.025 -15.363 1.00 0.00 C ATOM 229 C VAL A 103 25.967 -10.081 -15.843 1.00 0.00 C ATOM 230 O VAL A 103 27.056 -10.185 -15.288 1.00 0.00 O ATOM 231 CB VAL A 103 23.858 -9.620 -14.450 1.00 0.00 C ATOM 232 CG1 VAL A 103 23.977 -11.143 -14.333 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.976 -9.009 -13.052 1.00 0.00 C ATOM 0 H VAL A 103 23.341 -8.466 -16.572 1.00 0.00 H new ATOM 0 HA VAL A 103 25.517 -8.303 -14.764 1.00 0.00 H new ATOM 0 HB VAL A 103 22.892 -9.385 -14.897 1.00 0.00 H new ATOM 0 HG11 VAL A 103 23.186 -11.521 -13.685 1.00 0.00 H new ATOM 0 HG12 VAL A 103 23.882 -11.592 -15.322 1.00 0.00 H new ATOM 0 HG13 VAL A 103 24.947 -11.401 -13.909 1.00 0.00 H new ATOM 0 HG21 VAL A 103 23.202 -9.424 -12.407 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.957 -9.239 -12.636 1.00 0.00 H new ATOM 0 HG23 VAL A 103 23.853 -7.928 -13.116 1.00 0.00 H new ATOM 243 N ILE A 104 25.607 -10.855 -16.876 1.00 0.00 N ATOM 244 CA ILE A 104 26.494 -11.877 -17.419 1.00 0.00 C ATOM 245 C ILE A 104 27.795 -11.219 -17.884 1.00 0.00 C ATOM 246 O ILE A 104 28.881 -11.661 -17.520 1.00 0.00 O ATOM 247 CB ILE A 104 25.792 -12.608 -18.582 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.701 -13.538 -18.029 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.819 -13.432 -19.374 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.750 -13.975 -19.148 1.00 0.00 C ATOM 0 H ILE A 104 24.706 -10.788 -17.348 1.00 0.00 H new ATOM 0 HA ILE A 104 26.733 -12.613 -16.651 1.00 0.00 H new ATOM 0 HB ILE A 104 25.336 -11.871 -19.243 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.160 -14.414 -17.571 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.141 -13.026 -17.247 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.318 -13.946 -20.194 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.586 -12.769 -19.775 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.283 -14.166 -18.715 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.984 -14.633 -18.738 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.277 -13.097 -19.587 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.312 -14.507 -19.916 1.00 0.00 H new ATOM 262 N GLU A 105 27.673 -10.158 -18.688 1.00 0.00 N ATOM 263 CA GLU A 105 28.823 -9.436 -19.212 1.00 0.00 C ATOM 264 C GLU A 105 29.686 -8.898 -18.064 1.00 0.00 C ATOM 265 O GLU A 105 30.902 -9.097 -18.053 1.00 0.00 O ATOM 266 CB GLU A 105 28.310 -8.296 -20.108 1.00 0.00 C ATOM 267 CG GLU A 105 29.460 -7.368 -20.526 1.00 0.00 C ATOM 268 CD GLU A 105 29.461 -6.086 -19.693 1.00 0.00 C ATOM 269 OE1 GLU A 105 28.453 -5.353 -19.778 1.00 0.00 O ATOM 270 OE2 GLU A 105 30.470 -5.864 -18.990 1.00 0.00 O ATOM 0 H GLU A 105 26.774 -9.781 -18.990 1.00 0.00 H new ATOM 0 HA GLU A 105 29.451 -10.104 -19.801 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.832 -8.712 -20.995 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.550 -7.723 -19.576 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.412 -7.885 -20.405 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.365 -7.119 -21.583 1.00 0.00 H new ATOM 277 N LEU A 106 29.058 -8.213 -17.105 1.00 0.00 N ATOM 278 CA LEU A 106 29.769 -7.609 -15.988 1.00 0.00 C ATOM 279 C LEU A 106 30.457 -8.675 -15.124 1.00 0.00 C ATOM 280 O LEU A 106 31.538 -8.425 -14.597 1.00 0.00 O ATOM 281 CB LEU A 106 28.788 -6.779 -15.148 1.00 0.00 C ATOM 282 CG LEU A 106 28.323 -5.536 -15.931 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.094 -4.931 -15.247 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.436 -4.486 -15.964 1.00 0.00 C ATOM 0 H LEU A 106 28.049 -8.065 -17.085 1.00 0.00 H new ATOM 0 HA LEU A 106 30.548 -6.956 -16.381 1.00 0.00 H new ATOM 0 HB2 LEU A 106 27.926 -7.389 -14.877 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.266 -6.472 -14.218 1.00 0.00 H new ATOM 0 HG LEU A 106 28.076 -5.836 -16.950 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.765 -4.052 -15.801 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.291 -5.667 -15.225 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.350 -4.643 -14.227 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.096 -3.612 -16.520 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.689 -4.192 -14.945 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.317 -4.905 -16.450 1.00 0.00 H new ATOM 296 N VAL A 107 29.846 -9.857 -14.970 1.00 0.00 N ATOM 297 CA VAL A 107 30.429 -10.915 -14.153 1.00 0.00 C ATOM 298 C VAL A 107 31.574 -11.573 -14.916 1.00 0.00 C ATOM 299 O VAL A 107 32.585 -11.919 -14.326 1.00 0.00 O ATOM 300 CB VAL A 107 29.352 -11.935 -13.762 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.013 -13.183 -13.174 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.429 -11.320 -12.706 1.00 0.00 C ATOM 0 H VAL A 107 28.953 -10.098 -15.400 1.00 0.00 H new ATOM 0 HA VAL A 107 30.830 -10.491 -13.232 1.00 0.00 H new ATOM 0 HB VAL A 107 28.777 -12.206 -14.648 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.245 -13.905 -12.897 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.678 -13.626 -13.915 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.588 -12.908 -12.290 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.663 -12.043 -12.427 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.012 -11.051 -11.825 1.00 0.00 H new ATOM 0 HG23 VAL A 107 27.954 -10.427 -13.113 1.00 0.00 H new ATOM 312 N GLN A 108 31.426 -11.731 -16.229 1.00 0.00 N ATOM 313 CA GLN A 108 32.482 -12.298 -17.051 1.00 0.00 C ATOM 314 C GLN A 108 33.696 -11.358 -17.045 1.00 0.00 C ATOM 315 O GLN A 108 34.817 -11.783 -17.316 1.00 0.00 O ATOM 316 CB GLN A 108 31.945 -12.503 -18.473 1.00 0.00 C ATOM 317 CG GLN A 108 32.967 -13.268 -19.320 1.00 0.00 C ATOM 318 CD GLN A 108 32.369 -13.670 -20.665 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.374 -14.844 -21.024 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.853 -12.691 -21.409 1.00 0.00 N ATOM 0 H GLN A 108 30.584 -11.473 -16.743 1.00 0.00 H new ATOM 0 HA GLN A 108 32.799 -13.262 -16.654 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.005 -13.054 -18.439 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.732 -11.537 -18.932 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.849 -12.648 -19.481 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.296 -14.158 -18.784 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.871 -11.729 -21.070 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.440 -12.904 -22.317 1.00 0.00 H new ATOM 329 N LYS A 109 33.457 -10.073 -16.738 1.00 0.00 N ATOM 330 CA LYS A 109 34.496 -9.059 -16.726 1.00 0.00 C ATOM 331 C LYS A 109 35.155 -8.950 -15.344 1.00 0.00 C ATOM 332 O LYS A 109 36.357 -9.172 -15.215 1.00 0.00 O ATOM 333 CB LYS A 109 33.856 -7.728 -17.135 1.00 0.00 C ATOM 334 CG LYS A 109 34.936 -6.645 -17.311 1.00 0.00 C ATOM 335 CD LYS A 109 34.937 -6.092 -18.750 1.00 0.00 C ATOM 336 CE LYS A 109 33.535 -5.622 -19.182 1.00 0.00 C ATOM 337 NZ LYS A 109 32.792 -4.990 -18.076 1.00 0.00 N ATOM 0 H LYS A 109 32.533 -9.718 -16.492 1.00 0.00 H new ATOM 0 HA LYS A 109 35.285 -9.329 -17.427 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.303 -7.854 -18.066 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.138 -7.415 -16.377 1.00 0.00 H new ATOM 0 HG2 LYS A 109 34.759 -5.833 -16.606 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.916 -7.062 -17.078 1.00 0.00 H new ATOM 0 HD2 LYS A 109 35.637 -5.259 -18.819 1.00 0.00 H new ATOM 0 HD3 LYS A 109 35.290 -6.863 -19.436 1.00 0.00 H new ATOM 0 HE2 LYS A 109 33.629 -4.914 -20.005 1.00 0.00 H new ATOM 0 HE3 LYS A 109 32.968 -6.474 -19.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 31.807 -4.829 -18.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 32.809 -5.615 -17.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 33.235 -4.081 -17.835 1.00 0.00 H new ATOM 351 N TYR A 110 34.372 -8.587 -14.317 1.00 0.00 N ATOM 352 CA TYR A 110 34.901 -8.371 -12.969 1.00 0.00 C ATOM 353 C TYR A 110 34.868 -9.652 -12.128 1.00 0.00 C ATOM 354 O TYR A 110 35.395 -9.664 -11.014 1.00 0.00 O ATOM 355 CB TYR A 110 34.081 -7.272 -12.287 1.00 0.00 C ATOM 356 CG TYR A 110 34.082 -5.965 -13.053 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.253 -5.189 -13.116 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.915 -5.529 -13.706 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.257 -3.980 -13.833 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.922 -4.322 -14.424 1.00 0.00 C ATOM 361 CZ TYR A 110 34.091 -3.547 -14.487 1.00 0.00 C ATOM 362 OH TYR A 110 34.094 -2.378 -15.188 1.00 0.00 O ATOM 0 H TYR A 110 33.366 -8.437 -14.399 1.00 0.00 H new ATOM 0 HA TYR A 110 35.945 -8.069 -13.052 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.053 -7.615 -12.168 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.477 -7.100 -11.286 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.149 -5.522 -12.614 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.014 -6.122 -13.655 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.156 -3.384 -13.881 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.027 -3.989 -14.928 1.00 0.00 H new ATOM 0 HH TYR A 110 33.456 -1.753 -14.785 1.00 0.00 H new ATOM 372 N GLY A 111 34.255 -10.720 -12.645 1.00 0.00 N ATOM 373 CA GLY A 111 34.148 -11.978 -11.919 1.00 0.00 C ATOM 374 C GLY A 111 32.911 -11.944 -11.018 1.00 0.00 C ATOM 375 O GLY A 111 32.278 -10.897 -10.883 1.00 0.00 O ATOM 0 H GLY A 111 33.824 -10.733 -13.570 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.078 -12.810 -12.620 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.043 -12.141 -11.319 1.00 0.00 H new ATOM 379 N PRO A 112 32.562 -13.086 -10.390 1.00 0.00 N ATOM 380 CA PRO A 112 31.422 -13.180 -9.489 1.00 0.00 C ATOM 381 C PRO A 112 31.733 -12.505 -8.136 1.00 0.00 C ATOM 382 O PRO A 112 31.324 -12.996 -7.083 1.00 0.00 O ATOM 383 CB PRO A 112 31.174 -14.687 -9.329 1.00 0.00 C ATOM 384 CG PRO A 112 32.450 -15.389 -9.813 1.00 0.00 C ATOM 385 CD PRO A 112 33.274 -14.336 -10.556 1.00 0.00 C ATOM 0 HA PRO A 112 30.542 -12.667 -9.876 1.00 0.00 H new ATOM 0 HB2 PRO A 112 30.963 -14.938 -8.289 1.00 0.00 H new ATOM 0 HB3 PRO A 112 30.311 -15.003 -9.915 1.00 0.00 H new ATOM 0 HG2 PRO A 112 33.011 -15.797 -8.972 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.207 -16.225 -10.469 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.282 -14.269 -10.147 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.374 -14.591 -11.611 1.00 0.00 H new ATOM 393 N LYS A 113 32.459 -11.378 -8.172 1.00 0.00 N ATOM 394 CA LYS A 113 32.835 -10.637 -6.979 1.00 0.00 C ATOM 395 C LYS A 113 32.632 -9.149 -7.250 1.00 0.00 C ATOM 396 O LYS A 113 32.255 -8.768 -8.357 1.00 0.00 O ATOM 397 CB LYS A 113 34.312 -10.916 -6.630 1.00 0.00 C ATOM 398 CG LYS A 113 34.576 -12.426 -6.461 1.00 0.00 C ATOM 399 CD LYS A 113 33.967 -12.949 -5.151 1.00 0.00 C ATOM 400 CE LYS A 113 34.852 -12.554 -3.962 1.00 0.00 C ATOM 401 NZ LYS A 113 34.380 -13.189 -2.718 1.00 0.00 N ATOM 0 H LYS A 113 32.799 -10.960 -9.038 1.00 0.00 H new ATOM 0 HA LYS A 113 32.218 -10.948 -6.136 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.954 -10.519 -7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 113 34.575 -10.394 -5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 113 34.152 -12.969 -7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 113 35.650 -12.614 -6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 113 32.965 -12.542 -5.019 1.00 0.00 H new ATOM 0 HD3 LYS A 113 33.867 -14.034 -5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 113 35.883 -12.850 -4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 113 34.848 -11.470 -3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 34.995 -12.906 -1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 33.404 -12.886 -2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 34.407 -14.223 -2.824 1.00 0.00 H new ATOM 415 N ARG A 114 32.887 -8.309 -6.237 1.00 0.00 N ATOM 416 CA ARG A 114 32.738 -6.863 -6.365 1.00 0.00 C ATOM 417 C ARG A 114 31.338 -6.531 -6.884 1.00 0.00 C ATOM 418 O ARG A 114 31.185 -5.818 -7.877 1.00 0.00 O ATOM 419 CB ARG A 114 33.825 -6.310 -7.300 1.00 0.00 C ATOM 420 CG ARG A 114 35.210 -6.569 -6.698 1.00 0.00 C ATOM 421 CD ARG A 114 36.294 -6.106 -7.673 1.00 0.00 C ATOM 422 NE ARG A 114 36.396 -7.018 -8.820 1.00 0.00 N ATOM 423 CZ ARG A 114 37.350 -6.908 -9.761 1.00 0.00 C ATOM 424 NH1 ARG A 114 38.203 -5.876 -9.737 1.00 0.00 N ATOM 425 NH2 ARG A 114 37.447 -7.833 -10.722 1.00 0.00 N ATOM 0 H ARG A 114 33.199 -8.615 -5.316 1.00 0.00 H new ATOM 0 HA ARG A 114 32.858 -6.393 -5.389 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.750 -6.783 -8.279 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.678 -5.240 -7.450 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.310 -6.039 -5.751 1.00 0.00 H new ATOM 0 HG3 ARG A 114 35.331 -7.631 -6.483 1.00 0.00 H new ATOM 0 HD2 ARG A 114 36.067 -5.099 -8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 114 37.253 -6.055 -7.158 1.00 0.00 H new ATOM 0 HE ARG A 114 35.712 -7.769 -8.907 1.00 0.00 H new ATOM 0 HH11 ARG A 114 38.130 -5.171 -9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.926 -5.795 -10.452 1.00 0.00 H new ATOM 0 HH21 ARG A 114 36.798 -8.620 -10.740 1.00 0.00 H new ATOM 0 HH22 ARG A 114 38.170 -7.752 -11.437 1.00 0.00 H new ATOM 439 N TRP A 115 30.314 -7.055 -6.201 1.00 0.00 N ATOM 440 CA TRP A 115 28.929 -6.826 -6.582 1.00 0.00 C ATOM 441 C TRP A 115 28.586 -5.341 -6.475 1.00 0.00 C ATOM 442 O TRP A 115 27.655 -4.876 -7.126 1.00 0.00 O ATOM 443 CB TRP A 115 28.020 -7.690 -5.709 1.00 0.00 C ATOM 444 CG TRP A 115 28.184 -9.155 -5.966 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.675 -10.060 -5.102 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.892 -9.903 -7.183 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.725 -11.309 -5.674 1.00 0.00 N ATOM 448 CE2 TRP A 115 28.252 -11.271 -6.974 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.364 -9.567 -8.451 1.00 0.00 C ATOM 450 CZ2 TRP A 115 28.104 -12.244 -7.966 1.00 0.00 C ATOM 451 CZ3 TRP A 115 27.209 -10.547 -9.453 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.586 -11.877 -9.214 1.00 0.00 C ATOM 0 H TRP A 115 30.428 -7.644 -5.376 1.00 0.00 H new ATOM 0 HA TRP A 115 28.776 -7.113 -7.622 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.231 -7.485 -4.660 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.982 -7.410 -5.886 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.988 -9.836 -4.093 1.00 0.00 H new ATOM 0 HE1 TRP A 115 29.064 -12.149 -5.205 1.00 0.00 H new ATOM 0 HE3 TRP A 115 27.076 -8.546 -8.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 28.386 -13.268 -7.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.797 -10.271 -10.412 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.477 -12.618 -9.992 1.00 0.00 H new ATOM 463 N SER A 116 29.350 -4.595 -5.669 1.00 0.00 N ATOM 464 CA SER A 116 29.163 -3.163 -5.539 1.00 0.00 C ATOM 465 C SER A 116 29.520 -2.491 -6.867 1.00 0.00 C ATOM 466 O SER A 116 28.789 -1.629 -7.346 1.00 0.00 O ATOM 467 CB SER A 116 30.049 -2.642 -4.406 1.00 0.00 C ATOM 468 OG SER A 116 31.362 -3.142 -4.563 1.00 0.00 O ATOM 0 H SER A 116 30.106 -4.972 -5.097 1.00 0.00 H new ATOM 0 HA SER A 116 28.125 -2.934 -5.300 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.061 -1.552 -4.412 1.00 0.00 H new ATOM 0 HB3 SER A 116 29.644 -2.951 -3.442 1.00 0.00 H new ATOM 0 HG SER A 116 31.929 -2.806 -3.838 1.00 0.00 H new ATOM 474 N VAL A 117 30.652 -2.899 -7.459 1.00 0.00 N ATOM 475 CA VAL A 117 31.105 -2.358 -8.732 1.00 0.00 C ATOM 476 C VAL A 117 30.105 -2.731 -9.825 1.00 0.00 C ATOM 477 O VAL A 117 29.680 -1.874 -10.596 1.00 0.00 O ATOM 478 CB VAL A 117 32.506 -2.905 -9.050 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.960 -2.410 -10.426 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.501 -2.424 -7.988 1.00 0.00 C ATOM 0 H VAL A 117 31.270 -3.609 -7.066 1.00 0.00 H new ATOM 0 HA VAL A 117 31.166 -1.271 -8.679 1.00 0.00 H new ATOM 0 HB VAL A 117 32.468 -3.994 -9.051 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.954 -2.802 -10.644 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.259 -2.755 -11.186 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.991 -1.320 -10.429 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.493 -2.813 -8.216 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.531 -1.334 -7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.188 -2.782 -7.007 1.00 0.00 H new ATOM 490 N ILE A 118 29.725 -4.014 -9.884 1.00 0.00 N ATOM 491 CA ILE A 118 28.765 -4.492 -10.871 1.00 0.00 C ATOM 492 C ILE A 118 27.463 -3.688 -10.749 1.00 0.00 C ATOM 493 O ILE A 118 26.902 -3.257 -11.755 1.00 0.00 O ATOM 494 CB ILE A 118 28.523 -5.999 -10.653 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.779 -6.786 -11.074 1.00 0.00 C ATOM 496 CG2 ILE A 118 27.321 -6.463 -11.488 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.789 -8.168 -10.418 1.00 0.00 C ATOM 0 H ILE A 118 30.073 -4.737 -9.254 1.00 0.00 H new ATOM 0 HA ILE A 118 29.154 -4.351 -11.879 1.00 0.00 H new ATOM 0 HB ILE A 118 28.315 -6.180 -9.598 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.803 -6.891 -12.159 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.674 -6.234 -10.788 1.00 0.00 H new ATOM 0 HG21 ILE A 118 27.157 -7.529 -11.328 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.432 -5.909 -11.185 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.520 -6.281 -12.544 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.683 -8.711 -10.726 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.788 -8.056 -9.334 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.903 -8.723 -10.726 1.00 0.00 H new ATOM 509 N ALA A 119 26.989 -3.486 -9.512 1.00 0.00 N ATOM 510 CA ALA A 119 25.761 -2.742 -9.256 1.00 0.00 C ATOM 511 C ALA A 119 25.903 -1.285 -9.704 1.00 0.00 C ATOM 512 O ALA A 119 24.971 -0.721 -10.273 1.00 0.00 O ATOM 513 CB ALA A 119 25.433 -2.811 -7.765 1.00 0.00 C ATOM 0 H ALA A 119 27.447 -3.834 -8.670 1.00 0.00 H new ATOM 0 HA ALA A 119 24.948 -3.189 -9.829 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.516 -2.256 -7.568 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.298 -3.852 -7.470 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.251 -2.374 -7.192 1.00 0.00 H new ATOM 519 N LYS A 120 27.070 -0.674 -9.447 1.00 0.00 N ATOM 520 CA LYS A 120 27.317 0.717 -9.822 1.00 0.00 C ATOM 521 C LYS A 120 27.179 0.904 -11.337 1.00 0.00 C ATOM 522 O LYS A 120 26.944 2.022 -11.797 1.00 0.00 O ATOM 523 CB LYS A 120 28.712 1.140 -9.349 1.00 0.00 C ATOM 524 CG LYS A 120 28.656 1.530 -7.867 1.00 0.00 C ATOM 525 CD LYS A 120 30.074 1.611 -7.287 1.00 0.00 C ATOM 526 CE LYS A 120 30.882 2.689 -8.018 1.00 0.00 C ATOM 527 NZ LYS A 120 32.176 2.923 -7.351 1.00 0.00 N ATOM 0 H LYS A 120 27.856 -1.127 -8.980 1.00 0.00 H new ATOM 0 HA LYS A 120 26.573 1.350 -9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.419 0.324 -9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 120 29.069 1.981 -9.944 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.154 2.491 -7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.070 0.797 -7.312 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.027 1.840 -6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.570 0.645 -7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.051 2.384 -9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.312 3.617 -8.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 32.704 3.657 -7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 32.011 3.236 -6.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.727 2.041 -7.344 1.00 0.00 H new ATOM 541 N HIS A 121 27.319 -0.182 -12.111 1.00 0.00 N ATOM 542 CA HIS A 121 27.189 -0.117 -13.557 1.00 0.00 C ATOM 543 C HIS A 121 25.755 -0.455 -13.929 1.00 0.00 C ATOM 544 O HIS A 121 25.146 0.213 -14.765 1.00 0.00 O ATOM 545 CB HIS A 121 28.174 -1.097 -14.198 1.00 0.00 C ATOM 546 CG HIS A 121 29.590 -0.853 -13.750 1.00 0.00 C ATOM 547 ND1 HIS A 121 30.098 0.422 -13.538 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.628 -1.698 -13.454 1.00 0.00 C ATOM 549 CE1 HIS A 121 31.374 0.271 -13.140 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.763 -1.002 -13.068 1.00 0.00 N ATOM 0 H HIS A 121 27.523 -1.114 -11.750 1.00 0.00 H new ATOM 0 HA HIS A 121 27.421 0.883 -13.922 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.885 -2.117 -13.945 1.00 0.00 H new ATOM 0 HB3 HIS A 121 28.118 -1.009 -15.283 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.599 1.303 -13.661 1.00 0.00 H new ATOM 0 HD2 HIS A 121 30.569 -2.775 -13.514 1.00 0.00 H new ATOM 0 HE1 HIS A 121 32.022 1.102 -12.902 1.00 0.00 H new ATOM 558 N LEU A 122 25.219 -1.495 -13.290 1.00 0.00 N ATOM 559 CA LEU A 122 23.861 -1.934 -13.513 1.00 0.00 C ATOM 560 C LEU A 122 22.921 -1.128 -12.616 1.00 0.00 C ATOM 561 O LEU A 122 22.306 -1.668 -11.694 1.00 0.00 O ATOM 562 CB LEU A 122 23.794 -3.432 -13.210 1.00 0.00 C ATOM 563 CG LEU A 122 22.493 -4.045 -13.733 1.00 0.00 C ATOM 564 CD1 LEU A 122 22.368 -3.833 -15.245 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.525 -5.536 -13.436 1.00 0.00 C ATOM 0 H LEU A 122 25.725 -2.052 -12.602 1.00 0.00 H new ATOM 0 HA LEU A 122 23.552 -1.771 -14.545 1.00 0.00 H new ATOM 0 HB2 LEU A 122 24.646 -3.936 -13.666 1.00 0.00 H new ATOM 0 HB3 LEU A 122 23.868 -3.592 -12.134 1.00 0.00 H new ATOM 0 HG LEU A 122 21.641 -3.569 -13.248 1.00 0.00 H new ATOM 0 HD11 LEU A 122 21.437 -4.276 -15.599 1.00 0.00 H new ATOM 0 HD12 LEU A 122 22.368 -2.765 -15.464 1.00 0.00 H new ATOM 0 HD13 LEU A 122 23.210 -4.307 -15.750 1.00 0.00 H new ATOM 0 HD21 LEU A 122 21.607 -5.999 -13.799 1.00 0.00 H new ATOM 0 HD22 LEU A 122 23.382 -5.988 -13.935 1.00 0.00 H new ATOM 0 HD23 LEU A 122 22.609 -5.691 -12.360 1.00 0.00 H new ATOM 577 N LYS A 123 22.821 0.178 -12.890 1.00 0.00 N ATOM 578 CA LYS A 123 21.982 1.075 -12.112 1.00 0.00 C ATOM 579 C LYS A 123 20.552 0.538 -12.070 1.00 0.00 C ATOM 580 O LYS A 123 19.978 0.215 -13.109 1.00 0.00 O ATOM 581 CB LYS A 123 22.025 2.475 -12.730 1.00 0.00 C ATOM 582 CG LYS A 123 23.445 3.043 -12.623 1.00 0.00 C ATOM 583 CD LYS A 123 23.482 4.454 -13.214 1.00 0.00 C ATOM 584 CE LYS A 123 24.910 5.002 -13.140 1.00 0.00 C ATOM 585 NZ LYS A 123 24.989 6.356 -13.717 1.00 0.00 N ATOM 0 H LYS A 123 23.319 0.634 -13.655 1.00 0.00 H new ATOM 0 HA LYS A 123 22.353 1.136 -11.089 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.718 2.431 -13.775 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.321 3.131 -12.218 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.760 3.067 -11.580 1.00 0.00 H new ATOM 0 HG3 LYS A 123 24.146 2.398 -13.153 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.142 4.435 -14.249 1.00 0.00 H new ATOM 0 HD3 LYS A 123 22.802 5.107 -12.667 1.00 0.00 H new ATOM 0 HE2 LYS A 123 25.240 5.026 -12.102 1.00 0.00 H new ATOM 0 HE3 LYS A 123 25.587 4.335 -13.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 25.967 6.704 -13.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 24.696 6.326 -14.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 24.360 6.995 -13.190 1.00 0.00 H new ATOM 599 N GLY A 124 19.988 0.439 -10.857 1.00 0.00 N ATOM 600 CA GLY A 124 18.643 -0.084 -10.658 1.00 0.00 C ATOM 601 C GLY A 124 18.704 -1.451 -9.971 1.00 0.00 C ATOM 602 O GLY A 124 17.686 -1.940 -9.478 1.00 0.00 O ATOM 0 H GLY A 124 20.455 0.720 -9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.061 0.610 -10.052 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.134 -0.173 -11.618 1.00 0.00 H new ATOM 606 N ARG A 125 19.902 -2.063 -9.941 1.00 0.00 N ATOM 607 CA ARG A 125 20.110 -3.360 -9.311 1.00 0.00 C ATOM 608 C ARG A 125 21.251 -3.241 -8.306 1.00 0.00 C ATOM 609 O ARG A 125 22.410 -3.134 -8.700 1.00 0.00 O ATOM 610 CB ARG A 125 20.449 -4.402 -10.389 1.00 0.00 C ATOM 611 CG ARG A 125 19.299 -4.513 -11.398 1.00 0.00 C ATOM 612 CD ARG A 125 18.107 -5.231 -10.758 1.00 0.00 C ATOM 613 NE ARG A 125 16.924 -4.358 -10.711 1.00 0.00 N ATOM 614 CZ ARG A 125 15.680 -4.764 -11.030 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.485 -5.774 -11.886 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.628 -4.150 -10.484 1.00 0.00 N ATOM 0 H ARG A 125 20.745 -1.665 -10.355 1.00 0.00 H new ATOM 0 HA ARG A 125 19.206 -3.678 -8.791 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.367 -4.119 -10.903 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.630 -5.371 -9.924 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.999 -3.519 -11.731 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.631 -5.058 -12.281 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.875 -6.133 -11.325 1.00 0.00 H new ATOM 0 HD3 ARG A 125 18.369 -5.548 -9.749 1.00 0.00 H new ATOM 0 HE ARG A 125 17.053 -3.389 -10.420 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.284 -6.248 -12.307 1.00 0.00 H new ATOM 0 HH12 ARG A 125 14.537 -6.070 -12.118 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.770 -3.380 -9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.683 -4.451 -10.720 1.00 0.00 H new ATOM 630 N ILE A 126 20.929 -3.254 -7.004 1.00 0.00 N ATOM 631 CA ILE A 126 21.948 -3.133 -5.967 1.00 0.00 C ATOM 632 C ILE A 126 22.749 -4.435 -5.868 1.00 0.00 C ATOM 633 O ILE A 126 22.404 -5.435 -6.502 1.00 0.00 O ATOM 634 CB ILE A 126 21.304 -2.763 -4.616 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.390 -3.896 -4.123 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.494 -1.470 -4.775 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.942 -3.621 -2.686 1.00 0.00 C ATOM 0 H ILE A 126 19.976 -3.347 -6.652 1.00 0.00 H new ATOM 0 HA ILE A 126 22.635 -2.330 -6.234 1.00 0.00 H new ATOM 0 HB ILE A 126 22.093 -2.613 -3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.520 -3.981 -4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.919 -4.848 -4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.038 -1.207 -3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.154 -0.664 -5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.714 -1.619 -5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.295 -4.429 -2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.816 -3.559 -2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.395 -2.679 -2.649 1.00 0.00 H new ATOM 649 N GLY A 127 23.824 -4.412 -5.070 1.00 0.00 N ATOM 650 CA GLY A 127 24.697 -5.565 -4.895 1.00 0.00 C ATOM 651 C GLY A 127 23.896 -6.823 -4.559 1.00 0.00 C ATOM 652 O GLY A 127 24.165 -7.889 -5.108 1.00 0.00 O ATOM 0 H GLY A 127 24.107 -3.593 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.272 -5.730 -5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.413 -5.364 -4.098 1.00 0.00 H new ATOM 656 N LYS A 128 22.915 -6.698 -3.654 1.00 0.00 N ATOM 657 CA LYS A 128 22.096 -7.830 -3.243 1.00 0.00 C ATOM 658 C LYS A 128 21.390 -8.440 -4.454 1.00 0.00 C ATOM 659 O LYS A 128 21.452 -9.645 -4.657 1.00 0.00 O ATOM 660 CB LYS A 128 21.071 -7.375 -2.193 1.00 0.00 C ATOM 661 CG LYS A 128 20.564 -8.589 -1.392 1.00 0.00 C ATOM 662 CD LYS A 128 19.032 -8.697 -1.477 1.00 0.00 C ATOM 663 CE LYS A 128 18.613 -9.212 -2.861 1.00 0.00 C ATOM 664 NZ LYS A 128 17.247 -9.768 -2.835 1.00 0.00 N ATOM 0 H LYS A 128 22.675 -5.819 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 128 22.737 -8.593 -2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.526 -6.649 -1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.234 -6.876 -2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 128 21.019 -9.501 -1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 128 20.869 -8.496 -0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 128 18.664 -9.371 -0.703 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.581 -7.722 -1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 128 18.663 -8.398 -3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 128 19.313 -9.978 -3.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.999 -10.123 -3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.203 -10.549 -2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 16.575 -9.025 -2.557 1.00 0.00 H new ATOM 678 N GLN A 129 20.713 -7.602 -5.250 1.00 0.00 N ATOM 679 CA GLN A 129 19.973 -8.065 -6.417 1.00 0.00 C ATOM 680 C GLN A 129 20.909 -8.770 -7.392 1.00 0.00 C ATOM 681 O GLN A 129 20.647 -9.897 -7.792 1.00 0.00 O ATOM 682 CB GLN A 129 19.298 -6.876 -7.101 1.00 0.00 C ATOM 683 CG GLN A 129 18.217 -6.288 -6.194 1.00 0.00 C ATOM 684 CD GLN A 129 17.575 -5.078 -6.857 1.00 0.00 C ATOM 685 OE1 GLN A 129 17.941 -3.942 -6.574 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.622 -5.324 -7.749 1.00 0.00 N ATOM 0 H GLN A 129 20.667 -6.594 -5.100 1.00 0.00 H new ATOM 0 HA GLN A 129 19.210 -8.775 -6.096 1.00 0.00 H new ATOM 0 HB2 GLN A 129 20.040 -6.113 -7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.857 -7.193 -8.046 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.458 -7.042 -5.984 1.00 0.00 H new ATOM 0 HG3 GLN A 129 18.652 -5.999 -5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.350 -6.286 -7.953 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.162 -4.551 -8.230 1.00 0.00 H new ATOM 695 N CYS A 130 21.995 -8.096 -7.775 1.00 0.00 N ATOM 696 CA CYS A 130 22.970 -8.654 -8.709 1.00 0.00 C ATOM 697 C CYS A 130 23.457 -10.025 -8.224 1.00 0.00 C ATOM 698 O CYS A 130 23.357 -11.014 -8.953 1.00 0.00 O ATOM 699 CB CYS A 130 24.149 -7.687 -8.853 1.00 0.00 C ATOM 700 SG CYS A 130 23.571 -6.167 -9.648 1.00 0.00 S ATOM 0 H CYS A 130 22.221 -7.156 -7.449 1.00 0.00 H new ATOM 0 HA CYS A 130 22.496 -8.789 -9.681 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.573 -7.462 -7.874 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.941 -8.144 -9.446 1.00 0.00 H new ATOM 0 HG CYS A 130 23.136 -5.342 -8.742 1.00 0.00 H new ATOM 706 N ARG A 131 23.986 -10.080 -6.993 1.00 0.00 N ATOM 707 CA ARG A 131 24.501 -11.317 -6.420 1.00 0.00 C ATOM 708 C ARG A 131 23.413 -12.393 -6.398 1.00 0.00 C ATOM 709 O ARG A 131 23.665 -13.536 -6.762 1.00 0.00 O ATOM 710 CB ARG A 131 25.017 -11.030 -5.001 1.00 0.00 C ATOM 711 CG ARG A 131 25.792 -12.242 -4.462 1.00 0.00 C ATOM 712 CD ARG A 131 24.886 -13.100 -3.568 1.00 0.00 C ATOM 713 NE ARG A 131 25.417 -14.464 -3.436 1.00 0.00 N ATOM 714 CZ ARG A 131 26.484 -14.775 -2.677 1.00 0.00 C ATOM 715 NH1 ARG A 131 27.102 -13.830 -1.956 1.00 0.00 N ATOM 716 NH2 ARG A 131 26.929 -16.038 -2.644 1.00 0.00 N ATOM 0 H ARG A 131 24.065 -9.271 -6.376 1.00 0.00 H new ATOM 0 HA ARG A 131 25.321 -11.691 -7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.663 -10.152 -5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 131 24.180 -10.802 -4.341 1.00 0.00 H new ATOM 0 HG2 ARG A 131 26.167 -12.841 -5.292 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.659 -11.904 -3.895 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.802 -12.642 -2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.882 -13.136 -3.990 1.00 0.00 H new ATOM 0 HE ARG A 131 24.952 -15.215 -3.947 1.00 0.00 H new ATOM 0 HH11 ARG A 131 26.764 -12.868 -1.980 1.00 0.00 H new ATOM 0 HH12 ARG A 131 27.910 -14.073 -1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 131 26.460 -16.759 -3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 131 27.737 -16.279 -2.070 1.00 0.00 H new ATOM 730 N GLU A 132 22.209 -12.021 -5.961 1.00 0.00 N ATOM 731 CA GLU A 132 21.088 -12.943 -5.864 1.00 0.00 C ATOM 732 C GLU A 132 20.769 -13.533 -7.234 1.00 0.00 C ATOM 733 O GLU A 132 20.848 -14.745 -7.409 1.00 0.00 O ATOM 734 CB GLU A 132 19.892 -12.180 -5.280 1.00 0.00 C ATOM 735 CG GLU A 132 18.702 -13.110 -5.054 1.00 0.00 C ATOM 736 CD GLU A 132 17.590 -12.362 -4.328 1.00 0.00 C ATOM 737 OE1 GLU A 132 16.997 -11.462 -4.965 1.00 0.00 O ATOM 738 OE2 GLU A 132 17.359 -12.688 -3.145 1.00 0.00 O ATOM 0 H GLU A 132 21.988 -11.070 -5.665 1.00 0.00 H new ATOM 0 HA GLU A 132 21.333 -13.779 -5.208 1.00 0.00 H new ATOM 0 HB2 GLU A 132 20.179 -11.716 -4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.605 -11.375 -5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.336 -13.485 -6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 132 19.012 -13.976 -4.469 1.00 0.00 H new ATOM 745 N ARG A 133 20.417 -12.676 -8.203 1.00 0.00 N ATOM 746 CA ARG A 133 20.091 -13.114 -9.555 1.00 0.00 C ATOM 747 C ARG A 133 21.115 -14.140 -10.032 1.00 0.00 C ATOM 748 O ARG A 133 20.750 -15.157 -10.627 1.00 0.00 O ATOM 749 CB ARG A 133 20.077 -11.895 -10.491 1.00 0.00 C ATOM 750 CG ARG A 133 19.568 -12.285 -11.888 1.00 0.00 C ATOM 751 CD ARG A 133 18.077 -12.634 -11.837 1.00 0.00 C ATOM 752 NE ARG A 133 17.518 -12.714 -13.195 1.00 0.00 N ATOM 753 CZ ARG A 133 16.280 -13.168 -13.462 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.569 -13.783 -12.515 1.00 0.00 N ATOM 755 NH2 ARG A 133 15.759 -13.003 -14.682 1.00 0.00 N ATOM 0 H ARG A 133 20.352 -11.667 -8.067 1.00 0.00 H new ATOM 0 HA ARG A 133 19.107 -13.582 -9.561 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.440 -11.116 -10.071 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.081 -11.479 -10.568 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.731 -11.462 -12.584 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.135 -13.137 -12.263 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.938 -13.586 -11.324 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.541 -11.880 -11.261 1.00 0.00 H new ATOM 0 HE ARG A 133 18.100 -12.409 -13.976 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.964 -13.911 -11.583 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.631 -14.125 -12.723 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.300 -12.534 -15.408 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.821 -13.346 -14.887 1.00 0.00 H new ATOM 769 N TRP A 134 22.397 -13.869 -9.770 1.00 0.00 N ATOM 770 CA TRP A 134 23.461 -14.752 -10.185 1.00 0.00 C ATOM 771 C TRP A 134 23.387 -16.081 -9.436 1.00 0.00 C ATOM 772 O TRP A 134 23.238 -17.126 -10.058 1.00 0.00 O ATOM 773 CB TRP A 134 24.816 -14.075 -9.964 1.00 0.00 C ATOM 774 CG TRP A 134 25.891 -14.629 -10.831 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.996 -15.277 -10.424 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.962 -14.610 -12.278 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.755 -15.670 -11.502 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.152 -15.282 -12.688 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.134 -14.093 -13.295 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.491 -15.438 -14.034 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.468 -14.246 -14.643 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.633 -14.927 -15.018 1.00 0.00 C ATOM 0 H TRP A 134 22.712 -13.038 -9.269 1.00 0.00 H new ATOM 0 HA TRP A 134 23.346 -14.964 -11.248 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.717 -13.006 -10.155 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.106 -14.187 -8.919 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.253 -15.464 -9.392 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.638 -16.176 -11.437 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.227 -13.570 -13.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.402 -15.946 -14.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.821 -13.835 -15.404 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.870 -15.058 -16.063 1.00 0.00 H new ATOM 793 N HIS A 135 23.501 -16.039 -8.102 1.00 0.00 N ATOM 794 CA HIS A 135 23.519 -17.245 -7.277 1.00 0.00 C ATOM 795 C HIS A 135 22.110 -17.835 -7.087 1.00 0.00 C ATOM 796 O HIS A 135 21.829 -18.428 -6.047 1.00 0.00 O ATOM 797 CB HIS A 135 24.160 -16.909 -5.925 1.00 0.00 C ATOM 798 CG HIS A 135 25.637 -16.628 -6.040 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.606 -17.574 -5.724 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.344 -15.521 -6.436 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.803 -16.992 -5.940 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.712 -15.735 -6.375 1.00 0.00 N ATOM 0 H HIS A 135 23.583 -15.172 -7.571 1.00 0.00 H new ATOM 0 HA HIS A 135 24.108 -18.008 -7.786 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.661 -16.040 -5.496 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.004 -17.739 -5.236 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.890 -14.595 -6.756 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.744 -17.495 -5.776 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.466 -15.088 -6.607 1.00 0.00 H new ATOM 810 N ASN A 136 21.237 -17.691 -8.093 1.00 0.00 N ATOM 811 CA ASN A 136 19.899 -18.275 -8.058 1.00 0.00 C ATOM 812 C ASN A 136 19.733 -19.214 -9.235 1.00 0.00 C ATOM 813 O ASN A 136 19.855 -20.428 -9.097 1.00 0.00 O ATOM 814 CB ASN A 136 18.831 -17.174 -8.127 1.00 0.00 C ATOM 815 CG ASN A 136 18.359 -16.797 -6.745 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.185 -16.947 -6.420 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.272 -16.313 -5.931 1.00 0.00 N ATOM 0 H ASN A 136 21.441 -17.170 -8.946 1.00 0.00 H new ATOM 0 HA ASN A 136 19.776 -18.824 -7.124 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.239 -16.296 -8.629 1.00 0.00 H new ATOM 0 HB3 ASN A 136 17.986 -17.518 -8.723 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.017 -16.043 -4.981 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.235 -16.208 -6.250 1.00 0.00 H new ATOM 824 N HIS A 137 19.436 -18.629 -10.390 1.00 0.00 N ATOM 825 CA HIS A 137 19.174 -19.391 -11.611 1.00 0.00 C ATOM 826 C HIS A 137 20.424 -19.495 -12.493 1.00 0.00 C ATOM 827 O HIS A 137 20.666 -20.546 -13.081 1.00 0.00 O ATOM 828 CB HIS A 137 18.018 -18.741 -12.397 1.00 0.00 C ATOM 829 CG HIS A 137 17.272 -17.690 -11.615 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.185 -17.985 -10.800 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.438 -16.334 -11.504 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.774 -16.818 -10.263 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.500 -15.768 -10.653 1.00 0.00 N ATOM 0 H HIS A 137 19.370 -17.618 -10.509 1.00 0.00 H new ATOM 0 HA HIS A 137 18.891 -20.403 -11.321 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.416 -18.291 -13.306 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.318 -19.517 -12.706 1.00 0.00 H new ATOM 0 HD1 HIS A 137 15.777 -18.906 -10.639 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.206 -15.774 -12.017 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.938 -16.741 -9.583 1.00 0.00 H new ATOM 841 N LEU A 138 21.206 -18.409 -12.604 1.00 0.00 N ATOM 842 CA LEU A 138 22.383 -18.396 -13.471 1.00 0.00 C ATOM 843 C LEU A 138 23.568 -19.101 -12.782 1.00 0.00 C ATOM 844 O LEU A 138 23.553 -20.317 -12.609 1.00 0.00 O ATOM 845 CB LEU A 138 22.731 -16.937 -13.859 1.00 0.00 C ATOM 846 CG LEU A 138 21.854 -16.463 -15.029 1.00 0.00 C ATOM 847 CD1 LEU A 138 20.460 -16.094 -14.529 1.00 0.00 C ATOM 848 CD2 LEU A 138 22.489 -15.235 -15.676 1.00 0.00 C ATOM 0 H LEU A 138 21.041 -17.535 -12.104 1.00 0.00 H new ATOM 0 HA LEU A 138 22.165 -18.947 -14.386 1.00 0.00 H new ATOM 0 HB2 LEU A 138 22.585 -16.282 -13.000 1.00 0.00 H new ATOM 0 HB3 LEU A 138 23.783 -16.870 -14.136 1.00 0.00 H new ATOM 0 HG LEU A 138 21.774 -17.271 -15.757 1.00 0.00 H new ATOM 0 HD11 LEU A 138 19.849 -15.760 -15.368 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.997 -16.966 -14.067 1.00 0.00 H new ATOM 0 HD13 LEU A 138 20.537 -15.292 -13.795 1.00 0.00 H new ATOM 0 HD21 LEU A 138 21.867 -14.899 -16.506 1.00 0.00 H new ATOM 0 HD22 LEU A 138 22.572 -14.437 -14.938 1.00 0.00 H new ATOM 0 HD23 LEU A 138 23.481 -15.491 -16.047 1.00 0.00 H new