USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 LYS NZ :NH3+ -175:sc= 0.887 (180deg=0.00789) USER MOD Set 1.2: A 110 TYR OH : rot -152:sc= 1.93 USER MOD Set 1.3: A 121 HIS : no HE2:sc= 0.587 K(o=3.4,f=-0.85) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.369 USER MOD Single : A 97 LYS NZ :NH3+ -162:sc=-0.00798 (180deg=-0.227) USER MOD Single : A 101 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.3) USER MOD Single : A 108 GLN : amide:sc= 1.08 K(o=1.1,f=-0.016) USER MOD Single : A 113 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.129) USER MOD Single : A 116 SER OG : rot 180:sc= 0.00353 USER MOD Single : A 120 LYS NZ :NH3+ -178:sc= 0.258 (180deg=0.25) USER MOD Single : A 123 LYS NZ :NH3+ -167:sc= 1.23 (180deg=0.909) USER MOD Single : A 128 LYS NZ :NH3+ 146:sc= 0.968 (180deg=-1.02!) USER MOD Single : A 129 GLN : amide:sc= 0.608 K(o=0.61,f=-3.9!) USER MOD Single : A 130 CYS SG : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0092) USER MOD Single : A 137 HIS : no HE2:sc= -0.0759 K(o=-0.076,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.413 -8.755 -13.120 1.00 0.00 N ATOM 85 CA TRP A 95 14.574 -8.800 -14.010 1.00 0.00 C ATOM 86 C TRP A 95 14.149 -9.023 -15.466 1.00 0.00 C ATOM 87 O TRP A 95 12.997 -9.357 -15.746 1.00 0.00 O ATOM 88 CB TRP A 95 15.561 -9.878 -13.540 1.00 0.00 C ATOM 89 CG TRP A 95 16.467 -9.439 -12.437 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.151 -9.378 -11.132 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.846 -8.987 -12.522 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.213 -8.921 -10.391 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.299 -8.658 -11.205 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.768 -8.819 -13.576 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.588 -8.185 -10.954 1.00 0.00 C ATOM 96 CZ3 TRP A 95 20.068 -8.341 -13.329 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.476 -8.021 -12.020 1.00 0.00 C ATOM 0 HA TRP A 95 15.079 -7.835 -13.968 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.998 -10.750 -13.207 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.167 -10.195 -14.389 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.190 -9.652 -10.721 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.202 -8.793 -9.379 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.472 -9.061 -14.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.896 -7.948 -9.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.759 -8.219 -14.150 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.474 -7.649 -11.840 1.00 0.00 H new ATOM 108 N THR A 96 15.097 -8.821 -16.395 1.00 0.00 N ATOM 109 CA THR A 96 14.842 -8.971 -17.822 1.00 0.00 C ATOM 110 C THR A 96 16.028 -9.672 -18.478 1.00 0.00 C ATOM 111 O THR A 96 17.127 -9.677 -17.930 1.00 0.00 O ATOM 112 CB THR A 96 14.624 -7.588 -18.460 1.00 0.00 C ATOM 113 OG1 THR A 96 15.857 -6.912 -18.555 1.00 0.00 O ATOM 114 CG2 THR A 96 13.660 -6.755 -17.611 1.00 0.00 C ATOM 0 H THR A 96 16.055 -8.551 -16.172 1.00 0.00 H new ATOM 0 HA THR A 96 13.945 -9.572 -17.971 1.00 0.00 H new ATOM 0 HB THR A 96 14.198 -7.726 -19.454 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.717 -6.032 -18.963 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.516 -5.779 -18.075 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.701 -7.268 -17.540 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.076 -6.623 -16.612 1.00 0.00 H new ATOM 122 N LYS A 97 15.801 -10.260 -19.659 1.00 0.00 N ATOM 123 CA LYS A 97 16.847 -10.958 -20.394 1.00 0.00 C ATOM 124 C LYS A 97 18.012 -10.006 -20.688 1.00 0.00 C ATOM 125 O LYS A 97 19.170 -10.406 -20.619 1.00 0.00 O ATOM 126 CB LYS A 97 16.256 -11.516 -21.695 1.00 0.00 C ATOM 127 CG LYS A 97 17.285 -12.416 -22.394 1.00 0.00 C ATOM 128 CD LYS A 97 16.706 -12.954 -23.712 1.00 0.00 C ATOM 129 CE LYS A 97 15.764 -14.138 -23.447 1.00 0.00 C ATOM 130 NZ LYS A 97 16.511 -15.338 -23.027 1.00 0.00 N ATOM 0 H LYS A 97 14.893 -10.262 -20.124 1.00 0.00 H new ATOM 0 HA LYS A 97 17.232 -11.783 -19.794 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.351 -12.084 -21.479 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.969 -10.697 -22.355 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.197 -11.853 -22.591 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.557 -13.246 -21.742 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.165 -12.161 -24.228 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.516 -13.268 -24.370 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.045 -13.867 -22.674 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.194 -14.360 -24.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.913 -16.180 -23.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.368 -15.435 -23.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.780 -15.247 -22.027 1.00 0.00 H new ATOM 144 N GLU A 98 17.696 -8.746 -21.017 1.00 0.00 N ATOM 145 CA GLU A 98 18.708 -7.745 -21.327 1.00 0.00 C ATOM 146 C GLU A 98 19.550 -7.463 -20.086 1.00 0.00 C ATOM 147 O GLU A 98 20.772 -7.566 -20.130 1.00 0.00 O ATOM 148 CB GLU A 98 18.014 -6.469 -21.828 1.00 0.00 C ATOM 149 CG GLU A 98 19.058 -5.403 -22.203 1.00 0.00 C ATOM 150 CD GLU A 98 19.540 -4.630 -20.976 1.00 0.00 C ATOM 151 OE1 GLU A 98 18.667 -4.127 -20.238 1.00 0.00 O ATOM 152 OE2 GLU A 98 20.774 -4.551 -20.796 1.00 0.00 O ATOM 0 H GLU A 98 16.738 -8.401 -21.074 1.00 0.00 H new ATOM 0 HA GLU A 98 19.373 -8.112 -22.109 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.394 -6.701 -22.694 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.350 -6.081 -21.055 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.908 -5.881 -22.689 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.627 -4.709 -22.925 1.00 0.00 H new ATOM 159 N GLU A 99 18.888 -7.109 -18.981 1.00 0.00 N ATOM 160 CA GLU A 99 19.566 -6.813 -17.730 1.00 0.00 C ATOM 161 C GLU A 99 20.460 -7.991 -17.333 1.00 0.00 C ATOM 162 O GLU A 99 21.619 -7.797 -16.965 1.00 0.00 O ATOM 163 CB GLU A 99 18.510 -6.529 -16.658 1.00 0.00 C ATOM 164 CG GLU A 99 19.155 -5.819 -15.474 1.00 0.00 C ATOM 165 CD GLU A 99 18.218 -5.774 -14.275 1.00 0.00 C ATOM 166 OE1 GLU A 99 17.018 -6.076 -14.463 1.00 0.00 O ATOM 167 OE2 GLU A 99 18.720 -5.438 -13.186 1.00 0.00 O ATOM 0 H GLU A 99 17.873 -7.022 -18.935 1.00 0.00 H new ATOM 0 HA GLU A 99 20.203 -5.936 -17.840 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.713 -5.912 -17.074 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.052 -7.462 -16.329 1.00 0.00 H new ATOM 0 HG2 GLU A 99 20.076 -6.332 -15.198 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.429 -4.804 -15.762 1.00 0.00 H new ATOM 174 N ASP A 100 19.920 -9.213 -17.417 1.00 0.00 N ATOM 175 CA ASP A 100 20.669 -10.414 -17.086 1.00 0.00 C ATOM 176 C ASP A 100 21.883 -10.541 -18.006 1.00 0.00 C ATOM 177 O ASP A 100 22.981 -10.819 -17.536 1.00 0.00 O ATOM 178 CB ASP A 100 19.755 -11.638 -17.201 1.00 0.00 C ATOM 179 CG ASP A 100 19.019 -11.881 -15.897 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.695 -12.267 -14.924 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.789 -11.676 -15.892 1.00 0.00 O ATOM 0 H ASP A 100 18.960 -9.388 -17.714 1.00 0.00 H new ATOM 0 HA ASP A 100 21.030 -10.351 -16.059 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.037 -11.488 -18.007 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.346 -12.516 -17.460 1.00 0.00 H new ATOM 186 N GLN A 101 21.691 -10.330 -19.316 1.00 0.00 N ATOM 187 CA GLN A 101 22.788 -10.392 -20.276 1.00 0.00 C ATOM 188 C GLN A 101 23.872 -9.395 -19.868 1.00 0.00 C ATOM 189 O GLN A 101 25.062 -9.709 -19.918 1.00 0.00 O ATOM 190 CB GLN A 101 22.252 -10.093 -21.686 1.00 0.00 C ATOM 191 CG GLN A 101 23.327 -10.394 -22.743 1.00 0.00 C ATOM 192 CD GLN A 101 24.361 -9.272 -22.839 1.00 0.00 C ATOM 193 OE1 GLN A 101 24.020 -8.096 -22.745 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.629 -9.639 -23.028 1.00 0.00 N ATOM 0 H GLN A 101 20.784 -10.115 -19.729 1.00 0.00 H new ATOM 0 HA GLN A 101 23.227 -11.390 -20.285 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.364 -10.695 -21.880 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.950 -9.048 -21.753 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.828 -11.330 -22.495 1.00 0.00 H new ATOM 0 HG3 GLN A 101 22.852 -10.534 -23.714 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.868 -10.628 -23.101 1.00 0.00 H new ATOM 0 HE22 GLN A 101 26.360 -8.931 -23.100 1.00 0.00 H new ATOM 203 N ARG A 102 23.453 -8.196 -19.454 1.00 0.00 N ATOM 204 CA ARG A 102 24.373 -7.163 -19.016 1.00 0.00 C ATOM 205 C ARG A 102 25.225 -7.696 -17.862 1.00 0.00 C ATOM 206 O ARG A 102 26.446 -7.559 -17.875 1.00 0.00 O ATOM 207 CB ARG A 102 23.573 -5.923 -18.587 1.00 0.00 C ATOM 208 CG ARG A 102 24.308 -4.653 -19.025 1.00 0.00 C ATOM 209 CD ARG A 102 23.636 -3.424 -18.406 1.00 0.00 C ATOM 210 NE ARG A 102 22.215 -3.343 -18.778 1.00 0.00 N ATOM 211 CZ ARG A 102 21.360 -2.470 -18.215 1.00 0.00 C ATOM 212 NH1 ARG A 102 21.812 -1.540 -17.360 1.00 0.00 N ATOM 213 NH2 ARG A 102 20.057 -2.527 -18.507 1.00 0.00 N ATOM 0 H ARG A 102 22.471 -7.923 -19.416 1.00 0.00 H new ATOM 0 HA ARG A 102 25.039 -6.881 -19.831 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.578 -5.950 -19.031 1.00 0.00 H new ATOM 0 HB3 ARG A 102 23.439 -5.922 -17.505 1.00 0.00 H new ATOM 0 HG2 ARG A 102 25.352 -4.702 -18.716 1.00 0.00 H new ATOM 0 HG3 ARG A 102 24.300 -4.574 -20.112 1.00 0.00 H new ATOM 0 HD2 ARG A 102 23.727 -3.466 -17.321 1.00 0.00 H new ATOM 0 HD3 ARG A 102 24.151 -2.522 -18.735 1.00 0.00 H new ATOM 0 HE ARG A 102 21.862 -3.977 -19.495 1.00 0.00 H new ATOM 0 HH11 ARG A 102 22.806 -1.494 -17.136 1.00 0.00 H new ATOM 0 HH12 ARG A 102 21.162 -0.879 -16.935 1.00 0.00 H new ATOM 0 HH21 ARG A 102 19.710 -3.233 -19.157 1.00 0.00 H new ATOM 0 HH22 ARG A 102 19.409 -1.865 -18.080 1.00 0.00 H new ATOM 227 N VAL A 103 24.574 -8.312 -16.864 1.00 0.00 N ATOM 228 CA VAL A 103 25.273 -8.866 -15.713 1.00 0.00 C ATOM 229 C VAL A 103 26.223 -9.978 -16.157 1.00 0.00 C ATOM 230 O VAL A 103 27.357 -10.016 -15.708 1.00 0.00 O ATOM 231 CB VAL A 103 24.258 -9.384 -14.685 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.969 -10.221 -13.616 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.572 -8.197 -14.011 1.00 0.00 C ATOM 0 H VAL A 103 23.562 -8.435 -16.838 1.00 0.00 H new ATOM 0 HA VAL A 103 25.868 -8.083 -15.243 1.00 0.00 H new ATOM 0 HB VAL A 103 23.521 -10.003 -15.196 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.239 -10.583 -12.892 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.464 -11.070 -14.088 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.711 -9.606 -13.106 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.850 -8.561 -13.280 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.319 -7.582 -13.508 1.00 0.00 H new ATOM 0 HG23 VAL A 103 23.057 -7.599 -14.763 1.00 0.00 H new ATOM 243 N ILE A 104 25.763 -10.880 -17.036 1.00 0.00 N ATOM 244 CA ILE A 104 26.597 -11.977 -17.522 1.00 0.00 C ATOM 245 C ILE A 104 27.910 -11.417 -18.077 1.00 0.00 C ATOM 246 O ILE A 104 28.985 -11.927 -17.762 1.00 0.00 O ATOM 247 CB ILE A 104 25.834 -12.779 -18.598 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.750 -13.642 -17.931 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.812 -13.683 -19.366 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.792 -14.208 -18.985 1.00 0.00 C ATOM 0 H ILE A 104 24.819 -10.867 -17.422 1.00 0.00 H new ATOM 0 HA ILE A 104 26.832 -12.652 -16.699 1.00 0.00 H new ATOM 0 HB ILE A 104 25.365 -12.084 -19.294 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.215 -14.458 -17.378 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.194 -13.044 -17.209 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.268 -14.247 -20.124 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.573 -13.069 -19.847 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.289 -14.375 -18.672 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.031 -14.816 -18.496 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.313 -13.388 -19.519 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.350 -14.823 -19.691 1.00 0.00 H new ATOM 262 N GLU A 105 27.821 -10.368 -18.902 1.00 0.00 N ATOM 263 CA GLU A 105 28.997 -9.760 -19.502 1.00 0.00 C ATOM 264 C GLU A 105 29.880 -9.125 -18.422 1.00 0.00 C ATOM 265 O GLU A 105 31.089 -9.337 -18.405 1.00 0.00 O ATOM 266 CB GLU A 105 28.553 -8.716 -20.535 1.00 0.00 C ATOM 267 CG GLU A 105 29.764 -8.213 -21.331 1.00 0.00 C ATOM 268 CD GLU A 105 30.416 -9.347 -22.115 1.00 0.00 C ATOM 269 OE1 GLU A 105 29.839 -9.719 -23.159 1.00 0.00 O ATOM 270 OE2 GLU A 105 31.477 -9.823 -21.653 1.00 0.00 O ATOM 0 H GLU A 105 26.940 -9.927 -19.166 1.00 0.00 H new ATOM 0 HA GLU A 105 29.588 -10.525 -20.005 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.819 -9.153 -21.212 1.00 0.00 H new ATOM 0 HB3 GLU A 105 28.066 -7.880 -20.033 1.00 0.00 H new ATOM 0 HG2 GLU A 105 29.451 -7.426 -22.017 1.00 0.00 H new ATOM 0 HG3 GLU A 105 30.492 -7.772 -20.651 1.00 0.00 H new ATOM 277 N LEU A 106 29.277 -8.342 -17.520 1.00 0.00 N ATOM 278 CA LEU A 106 30.026 -7.675 -16.459 1.00 0.00 C ATOM 279 C LEU A 106 30.692 -8.707 -15.542 1.00 0.00 C ATOM 280 O LEU A 106 31.774 -8.458 -15.019 1.00 0.00 O ATOM 281 CB LEU A 106 29.088 -6.765 -15.663 1.00 0.00 C ATOM 282 CG LEU A 106 28.618 -5.590 -16.536 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.465 -4.875 -15.832 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.770 -4.604 -16.763 1.00 0.00 C ATOM 0 H LEU A 106 28.274 -8.157 -17.507 1.00 0.00 H new ATOM 0 HA LEU A 106 30.813 -7.066 -16.905 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.227 -7.335 -15.314 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.601 -6.387 -14.778 1.00 0.00 H new ATOM 0 HG LEU A 106 28.286 -5.970 -17.502 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.126 -4.040 -16.445 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.641 -5.573 -15.682 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.804 -4.501 -14.866 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.424 -3.777 -17.383 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.114 -4.219 -15.803 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.592 -5.114 -17.265 1.00 0.00 H new ATOM 296 N VAL A 107 30.053 -9.865 -15.356 1.00 0.00 N ATOM 297 CA VAL A 107 30.609 -10.930 -14.537 1.00 0.00 C ATOM 298 C VAL A 107 31.793 -11.545 -15.279 1.00 0.00 C ATOM 299 O VAL A 107 32.837 -11.782 -14.687 1.00 0.00 O ATOM 300 CB VAL A 107 29.519 -11.973 -14.235 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.157 -13.285 -13.772 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.601 -11.445 -13.128 1.00 0.00 C ATOM 0 H VAL A 107 29.145 -10.084 -15.767 1.00 0.00 H new ATOM 0 HA VAL A 107 30.962 -10.540 -13.582 1.00 0.00 H new ATOM 0 HB VAL A 107 28.943 -12.154 -15.142 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.376 -14.015 -13.561 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.810 -13.668 -14.556 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.740 -13.107 -12.869 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.828 -12.183 -12.913 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.186 -11.260 -12.227 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.134 -10.516 -13.455 1.00 0.00 H new ATOM 312 N GLN A 108 31.631 -11.784 -16.585 1.00 0.00 N ATOM 313 CA GLN A 108 32.706 -12.315 -17.409 1.00 0.00 C ATOM 314 C GLN A 108 33.898 -11.351 -17.369 1.00 0.00 C ATOM 315 O GLN A 108 35.049 -11.781 -17.406 1.00 0.00 O ATOM 316 CB GLN A 108 32.190 -12.503 -18.843 1.00 0.00 C ATOM 317 CG GLN A 108 33.318 -13.000 -19.752 1.00 0.00 C ATOM 318 CD GLN A 108 32.774 -13.426 -21.112 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.919 -14.580 -21.505 1.00 0.00 O ATOM 320 NE2 GLN A 108 32.147 -12.495 -21.832 1.00 0.00 N ATOM 0 H GLN A 108 30.760 -11.615 -17.089 1.00 0.00 H new ATOM 0 HA GLN A 108 33.036 -13.282 -17.030 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.367 -13.217 -18.850 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.797 -11.560 -19.222 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.059 -12.211 -19.883 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.827 -13.840 -19.280 1.00 0.00 H new ATOM 0 HE21 GLN A 108 32.049 -11.548 -21.466 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.765 -12.730 -22.748 1.00 0.00 H new ATOM 329 N LYS A 109 33.609 -10.045 -17.288 1.00 0.00 N ATOM 330 CA LYS A 109 34.635 -9.017 -17.234 1.00 0.00 C ATOM 331 C LYS A 109 35.356 -9.053 -15.881 1.00 0.00 C ATOM 332 O LYS A 109 36.572 -9.227 -15.836 1.00 0.00 O ATOM 333 CB LYS A 109 33.978 -7.650 -17.468 1.00 0.00 C ATOM 334 CG LYS A 109 35.045 -6.555 -17.554 1.00 0.00 C ATOM 335 CD LYS A 109 34.363 -5.185 -17.601 1.00 0.00 C ATOM 336 CE LYS A 109 35.421 -4.079 -17.570 1.00 0.00 C ATOM 337 NZ LYS A 109 34.801 -2.759 -17.349 1.00 0.00 N ATOM 0 H LYS A 109 32.657 -9.681 -17.259 1.00 0.00 H new ATOM 0 HA LYS A 109 35.379 -9.196 -18.010 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.395 -7.672 -18.389 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.285 -7.429 -16.657 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.712 -6.613 -16.693 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.659 -6.699 -18.443 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.760 -5.099 -18.505 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.685 -5.077 -16.754 1.00 0.00 H new ATOM 0 HE2 LYS A 109 36.142 -4.283 -16.778 1.00 0.00 H new ATOM 0 HE3 LYS A 109 35.973 -4.073 -18.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 35.528 -2.018 -17.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 34.070 -2.594 -18.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 34.367 -2.733 -16.404 1.00 0.00 H new ATOM 351 N TYR A 110 34.605 -8.877 -14.781 1.00 0.00 N ATOM 352 CA TYR A 110 35.184 -8.852 -13.440 1.00 0.00 C ATOM 353 C TYR A 110 35.222 -10.265 -12.850 1.00 0.00 C ATOM 354 O TYR A 110 36.287 -10.874 -12.764 1.00 0.00 O ATOM 355 CB TYR A 110 34.365 -7.909 -12.542 1.00 0.00 C ATOM 356 CG TYR A 110 34.165 -6.523 -13.123 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.274 -5.737 -13.485 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.863 -6.016 -13.290 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.079 -4.449 -14.013 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.671 -4.732 -13.818 1.00 0.00 C ATOM 361 CZ TYR A 110 33.777 -3.947 -14.178 1.00 0.00 C ATOM 362 OH TYR A 110 33.586 -2.696 -14.692 1.00 0.00 O ATOM 0 H TYR A 110 33.593 -8.750 -14.801 1.00 0.00 H new ATOM 0 HA TYR A 110 36.208 -8.482 -13.498 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.389 -8.358 -12.356 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.864 -7.819 -11.577 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.275 -6.123 -13.357 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.010 -6.617 -13.011 1.00 0.00 H new ATOM 0 HE1 TYR A 110 35.930 -3.845 -14.292 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.671 -4.346 -13.948 1.00 0.00 H new ATOM 0 HH TYR A 110 32.746 -2.326 -14.349 1.00 0.00 H new ATOM 372 N GLY A 111 34.056 -10.775 -12.437 1.00 0.00 N ATOM 373 CA GLY A 111 33.942 -12.096 -11.839 1.00 0.00 C ATOM 374 C GLY A 111 32.666 -12.159 -11.001 1.00 0.00 C ATOM 375 O GLY A 111 31.943 -11.166 -10.907 1.00 0.00 O ATOM 0 H GLY A 111 33.169 -10.278 -12.511 1.00 0.00 H new ATOM 0 HA2 GLY A 111 33.919 -12.860 -12.616 1.00 0.00 H new ATOM 0 HA3 GLY A 111 34.812 -12.302 -11.215 1.00 0.00 H new ATOM 379 N PRO A 112 32.384 -13.320 -10.381 1.00 0.00 N ATOM 380 CA PRO A 112 31.212 -13.507 -9.538 1.00 0.00 C ATOM 381 C PRO A 112 31.407 -12.828 -8.167 1.00 0.00 C ATOM 382 O PRO A 112 30.958 -13.344 -7.143 1.00 0.00 O ATOM 383 CB PRO A 112 31.074 -15.030 -9.400 1.00 0.00 C ATOM 384 CG PRO A 112 32.430 -15.624 -9.803 1.00 0.00 C ATOM 385 CD PRO A 112 33.208 -14.503 -10.497 1.00 0.00 C ATOM 0 HA PRO A 112 30.316 -13.056 -9.964 1.00 0.00 H new ATOM 0 HB2 PRO A 112 30.817 -15.306 -8.377 1.00 0.00 H new ATOM 0 HB3 PRO A 112 30.278 -15.408 -10.042 1.00 0.00 H new ATOM 0 HG2 PRO A 112 32.970 -15.987 -8.928 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.297 -16.475 -10.471 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.179 -14.351 -10.025 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.396 -14.747 -11.542 1.00 0.00 H new ATOM 393 N LYS A 113 32.084 -11.669 -8.152 1.00 0.00 N ATOM 394 CA LYS A 113 32.359 -10.927 -6.931 1.00 0.00 C ATOM 395 C LYS A 113 32.355 -9.433 -7.252 1.00 0.00 C ATOM 396 O LYS A 113 32.100 -9.046 -8.392 1.00 0.00 O ATOM 397 CB LYS A 113 33.724 -11.351 -6.363 1.00 0.00 C ATOM 398 CG LYS A 113 33.719 -12.847 -6.028 1.00 0.00 C ATOM 399 CD LYS A 113 34.993 -13.205 -5.257 1.00 0.00 C ATOM 400 CE LYS A 113 35.096 -14.726 -5.093 1.00 0.00 C ATOM 401 NZ LYS A 113 33.959 -15.261 -4.320 1.00 0.00 N ATOM 0 H LYS A 113 32.453 -11.226 -8.994 1.00 0.00 H new ATOM 0 HA LYS A 113 31.594 -11.138 -6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.510 -11.136 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 113 33.949 -10.772 -5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.840 -13.094 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.659 -13.435 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 113 35.867 -12.828 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 113 34.983 -12.725 -4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 113 35.125 -15.198 -6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 113 36.030 -14.977 -4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 34.140 -16.257 -4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 33.844 -14.710 -3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 33.091 -15.194 -4.888 1.00 0.00 H new ATOM 415 N ARG A 114 32.640 -8.594 -6.245 1.00 0.00 N ATOM 416 CA ARG A 114 32.664 -7.146 -6.425 1.00 0.00 C ATOM 417 C ARG A 114 31.316 -6.686 -6.995 1.00 0.00 C ATOM 418 O ARG A 114 31.253 -5.921 -7.957 1.00 0.00 O ATOM 419 CB ARG A 114 33.852 -6.764 -7.335 1.00 0.00 C ATOM 420 CG ARG A 114 34.795 -5.823 -6.579 1.00 0.00 C ATOM 421 CD ARG A 114 35.999 -5.475 -7.461 1.00 0.00 C ATOM 422 NE ARG A 114 36.869 -6.644 -7.664 1.00 0.00 N ATOM 423 CZ ARG A 114 37.757 -7.074 -6.747 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.858 -6.458 -5.561 1.00 0.00 N ATOM 425 NH2 ARG A 114 38.542 -8.124 -7.022 1.00 0.00 N ATOM 0 H ARG A 114 32.857 -8.901 -5.297 1.00 0.00 H new ATOM 0 HA ARG A 114 32.807 -6.639 -5.471 1.00 0.00 H new ATOM 0 HB2 ARG A 114 34.388 -7.661 -7.646 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.488 -6.280 -8.241 1.00 0.00 H new ATOM 0 HG2 ARG A 114 34.265 -4.913 -6.295 1.00 0.00 H new ATOM 0 HG3 ARG A 114 35.133 -6.296 -5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 114 35.651 -5.106 -8.426 1.00 0.00 H new ATOM 0 HD3 ARG A 114 36.570 -4.670 -6.999 1.00 0.00 H new ATOM 0 HE ARG A 114 36.796 -7.155 -8.544 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.261 -5.659 -5.349 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.532 -6.788 -4.871 1.00 0.00 H new ATOM 0 HH21 ARG A 114 38.466 -8.595 -7.923 1.00 0.00 H new ATOM 0 HH22 ARG A 114 39.216 -8.452 -6.330 1.00 0.00 H new ATOM 439 N TRP A 115 30.229 -7.167 -6.382 1.00 0.00 N ATOM 440 CA TRP A 115 28.880 -6.844 -6.817 1.00 0.00 C ATOM 441 C TRP A 115 28.604 -5.345 -6.683 1.00 0.00 C ATOM 442 O TRP A 115 27.668 -4.839 -7.291 1.00 0.00 O ATOM 443 CB TRP A 115 27.890 -7.682 -6.008 1.00 0.00 C ATOM 444 CG TRP A 115 28.040 -9.153 -6.243 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.521 -10.050 -5.365 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.749 -9.914 -7.452 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.563 -11.308 -5.921 1.00 0.00 N ATOM 448 CE2 TRP A 115 28.097 -11.283 -7.223 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.232 -9.590 -8.728 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.947 -12.267 -8.203 1.00 0.00 C ATOM 451 CZ3 TRP A 115 27.077 -10.582 -9.718 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.441 -11.912 -9.459 1.00 0.00 C ATOM 0 H TRP A 115 30.267 -7.788 -5.574 1.00 0.00 H new ATOM 0 HA TRP A 115 28.765 -7.085 -7.874 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.028 -7.473 -4.947 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.874 -7.381 -6.263 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.833 -9.815 -4.358 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.893 -12.144 -5.439 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.952 -8.570 -8.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 28.219 -13.291 -7.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.675 -10.316 -10.684 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.331 -12.662 -10.228 1.00 0.00 H new ATOM 463 N SER A 116 29.428 -4.634 -5.903 1.00 0.00 N ATOM 464 CA SER A 116 29.296 -3.194 -5.752 1.00 0.00 C ATOM 465 C SER A 116 29.641 -2.506 -7.080 1.00 0.00 C ATOM 466 O SER A 116 29.108 -1.437 -7.386 1.00 0.00 O ATOM 467 CB SER A 116 30.230 -2.721 -4.637 1.00 0.00 C ATOM 468 OG SER A 116 31.540 -3.189 -4.886 1.00 0.00 O ATOM 0 H SER A 116 30.194 -5.042 -5.368 1.00 0.00 H new ATOM 0 HA SER A 116 28.271 -2.936 -5.486 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.226 -1.632 -4.583 1.00 0.00 H new ATOM 0 HB3 SER A 116 29.878 -3.089 -3.673 1.00 0.00 H new ATOM 0 HG SER A 116 32.138 -2.884 -4.172 1.00 0.00 H new ATOM 474 N VAL A 117 30.534 -3.125 -7.867 1.00 0.00 N ATOM 475 CA VAL A 117 30.939 -2.592 -9.159 1.00 0.00 C ATOM 476 C VAL A 117 29.860 -2.905 -10.192 1.00 0.00 C ATOM 477 O VAL A 117 29.430 -2.020 -10.928 1.00 0.00 O ATOM 478 CB VAL A 117 32.291 -3.200 -9.563 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.706 -2.676 -10.940 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.357 -2.813 -8.533 1.00 0.00 C ATOM 0 H VAL A 117 30.989 -4.004 -7.620 1.00 0.00 H new ATOM 0 HA VAL A 117 31.057 -1.510 -9.101 1.00 0.00 H new ATOM 0 HB VAL A 117 32.196 -4.285 -9.602 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.665 -3.111 -11.221 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.952 -2.953 -11.677 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.796 -1.590 -10.904 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.315 -3.245 -8.821 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.446 -1.727 -8.492 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.069 -3.191 -7.552 1.00 0.00 H new ATOM 490 N ILE A 118 29.422 -4.166 -10.238 1.00 0.00 N ATOM 491 CA ILE A 118 28.390 -4.592 -11.171 1.00 0.00 C ATOM 492 C ILE A 118 27.113 -3.777 -10.927 1.00 0.00 C ATOM 493 O ILE A 118 26.485 -3.311 -11.876 1.00 0.00 O ATOM 494 CB ILE A 118 28.150 -6.103 -11.003 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.401 -6.868 -11.477 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.936 -6.537 -11.838 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.425 -8.276 -10.882 1.00 0.00 C ATOM 0 H ILE A 118 29.772 -4.909 -9.634 1.00 0.00 H new ATOM 0 HA ILE A 118 28.705 -4.414 -12.199 1.00 0.00 H new ATOM 0 HB ILE A 118 27.956 -6.325 -9.954 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.408 -6.927 -12.565 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.299 -6.326 -11.181 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.773 -7.608 -11.714 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.052 -5.994 -11.504 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.121 -6.318 -12.890 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.315 -8.802 -11.227 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.441 -8.211 -9.794 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.536 -8.820 -11.200 1.00 0.00 H new ATOM 509 N ALA A 119 26.737 -3.600 -9.652 1.00 0.00 N ATOM 510 CA ALA A 119 25.551 -2.832 -9.287 1.00 0.00 C ATOM 511 C ALA A 119 25.684 -1.384 -9.765 1.00 0.00 C ATOM 512 O ALA A 119 24.698 -0.778 -10.177 1.00 0.00 O ATOM 513 CB ALA A 119 25.361 -2.880 -7.770 1.00 0.00 C ATOM 0 H ALA A 119 27.245 -3.984 -8.855 1.00 0.00 H new ATOM 0 HA ALA A 119 24.678 -3.269 -9.771 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.475 -2.307 -7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.236 -3.915 -7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.236 -2.453 -7.280 1.00 0.00 H new ATOM 519 N LYS A 120 26.906 -0.830 -9.712 1.00 0.00 N ATOM 520 CA LYS A 120 27.154 0.542 -10.149 1.00 0.00 C ATOM 521 C LYS A 120 26.741 0.717 -11.611 1.00 0.00 C ATOM 522 O LYS A 120 26.297 1.798 -12.006 1.00 0.00 O ATOM 523 CB LYS A 120 28.642 0.882 -9.974 1.00 0.00 C ATOM 524 CG LYS A 120 28.793 2.074 -9.024 1.00 0.00 C ATOM 525 CD LYS A 120 30.253 2.552 -9.013 1.00 0.00 C ATOM 526 CE LYS A 120 30.950 2.107 -7.724 1.00 0.00 C ATOM 527 NZ LYS A 120 31.014 0.639 -7.621 1.00 0.00 N ATOM 0 H LYS A 120 27.735 -1.317 -9.370 1.00 0.00 H new ATOM 0 HA LYS A 120 26.559 1.221 -9.538 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.178 0.019 -9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 120 29.087 1.117 -10.941 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.138 2.886 -9.339 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.487 1.789 -8.017 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.781 2.149 -9.877 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.287 3.638 -9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.959 2.519 -7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.416 2.510 -6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 31.462 0.373 -6.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 30.052 0.246 -7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 31.574 0.260 -8.411 1.00 0.00 H new ATOM 541 N HIS A 121 26.891 -0.345 -12.411 1.00 0.00 N ATOM 542 CA HIS A 121 26.544 -0.309 -13.818 1.00 0.00 C ATOM 543 C HIS A 121 25.058 -0.613 -13.967 1.00 0.00 C ATOM 544 O HIS A 121 24.369 0.016 -14.771 1.00 0.00 O ATOM 545 CB HIS A 121 27.403 -1.325 -14.572 1.00 0.00 C ATOM 546 CG HIS A 121 28.867 -1.221 -14.213 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.520 -0.003 -14.049 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.826 -2.167 -13.967 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.799 -0.287 -13.725 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.052 -1.594 -13.661 1.00 0.00 N ATOM 0 H HIS A 121 27.255 -1.244 -12.094 1.00 0.00 H new ATOM 0 HA HIS A 121 26.737 0.677 -14.240 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.048 -2.332 -14.351 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.283 -1.173 -15.645 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.111 0.925 -14.154 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.649 -3.232 -14.006 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.545 0.471 -13.536 1.00 0.00 H new ATOM 558 N LEU A 122 24.563 -1.574 -13.175 1.00 0.00 N ATOM 559 CA LEU A 122 23.155 -1.931 -13.176 1.00 0.00 C ATOM 560 C LEU A 122 22.398 -0.930 -12.299 1.00 0.00 C ATOM 561 O LEU A 122 21.855 -1.286 -11.252 1.00 0.00 O ATOM 562 CB LEU A 122 22.984 -3.375 -12.657 1.00 0.00 C ATOM 563 CG LEU A 122 23.072 -4.405 -13.802 1.00 0.00 C ATOM 564 CD1 LEU A 122 21.890 -4.239 -14.754 1.00 0.00 C ATOM 565 CD2 LEU A 122 24.375 -4.249 -14.586 1.00 0.00 C ATOM 0 H LEU A 122 25.130 -2.117 -12.524 1.00 0.00 H new ATOM 0 HA LEU A 122 22.750 -1.891 -14.187 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.753 -3.589 -11.915 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.021 -3.470 -12.155 1.00 0.00 H new ATOM 0 HG LEU A 122 23.048 -5.399 -13.356 1.00 0.00 H new ATOM 0 HD11 LEU A 122 21.964 -4.972 -15.557 1.00 0.00 H new ATOM 0 HD12 LEU A 122 20.959 -4.392 -14.208 1.00 0.00 H new ATOM 0 HD13 LEU A 122 21.902 -3.234 -15.177 1.00 0.00 H new ATOM 0 HD21 LEU A 122 24.409 -4.988 -15.386 1.00 0.00 H new ATOM 0 HD22 LEU A 122 24.424 -3.248 -15.014 1.00 0.00 H new ATOM 0 HD23 LEU A 122 25.222 -4.400 -13.917 1.00 0.00 H new ATOM 577 N LYS A 123 22.374 0.335 -12.739 1.00 0.00 N ATOM 578 CA LYS A 123 21.711 1.401 -12.008 1.00 0.00 C ATOM 579 C LYS A 123 20.243 1.043 -11.799 1.00 0.00 C ATOM 580 O LYS A 123 19.508 0.834 -12.764 1.00 0.00 O ATOM 581 CB LYS A 123 21.859 2.716 -12.781 1.00 0.00 C ATOM 582 CG LYS A 123 23.347 3.054 -12.930 1.00 0.00 C ATOM 583 CD LYS A 123 23.504 4.477 -13.472 1.00 0.00 C ATOM 584 CE LYS A 123 24.961 4.718 -13.885 1.00 0.00 C ATOM 585 NZ LYS A 123 25.888 4.470 -12.763 1.00 0.00 N ATOM 0 H LYS A 123 22.814 0.638 -13.608 1.00 0.00 H new ATOM 0 HA LYS A 123 22.172 1.525 -11.028 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.395 2.628 -13.763 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.343 3.520 -12.256 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.848 2.965 -11.966 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.825 2.343 -13.604 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.845 4.625 -14.327 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.207 5.200 -12.712 1.00 0.00 H new ATOM 0 HE2 LYS A 123 25.216 4.066 -14.720 1.00 0.00 H new ATOM 0 HE3 LYS A 123 25.077 5.744 -14.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 26.828 4.847 -12.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 25.531 4.941 -11.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 25.959 3.447 -12.591 1.00 0.00 H new ATOM 599 N GLY A 124 19.833 0.962 -10.529 1.00 0.00 N ATOM 600 CA GLY A 124 18.479 0.584 -10.159 1.00 0.00 C ATOM 601 C GLY A 124 18.541 -0.551 -9.144 1.00 0.00 C ATOM 602 O GLY A 124 17.707 -0.631 -8.243 1.00 0.00 O ATOM 0 H GLY A 124 20.438 1.159 -9.732 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.952 1.439 -9.736 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.921 0.270 -11.041 1.00 0.00 H new ATOM 606 N ARG A 125 19.545 -1.427 -9.294 1.00 0.00 N ATOM 607 CA ARG A 125 19.750 -2.546 -8.390 1.00 0.00 C ATOM 608 C ARG A 125 20.680 -2.118 -7.255 1.00 0.00 C ATOM 609 O ARG A 125 21.063 -0.951 -7.165 1.00 0.00 O ATOM 610 CB ARG A 125 20.368 -3.718 -9.165 1.00 0.00 C ATOM 611 CG ARG A 125 19.462 -4.145 -10.325 1.00 0.00 C ATOM 612 CD ARG A 125 18.149 -4.740 -9.798 1.00 0.00 C ATOM 613 NE ARG A 125 17.523 -5.553 -10.844 1.00 0.00 N ATOM 614 CZ ARG A 125 16.219 -5.854 -10.884 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.495 -5.886 -9.761 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.641 -6.127 -12.058 1.00 0.00 N ATOM 0 H ARG A 125 20.231 -1.372 -10.047 1.00 0.00 H new ATOM 0 HA ARG A 125 18.795 -2.860 -7.968 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.346 -3.429 -9.550 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.526 -4.561 -8.492 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.248 -3.286 -10.961 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.977 -4.880 -10.944 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.343 -5.350 -8.916 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.474 -3.942 -9.491 1.00 0.00 H new ATOM 0 HE ARG A 125 18.119 -5.913 -11.590 1.00 0.00 H new ATOM 0 HH11 ARG A 125 15.935 -5.680 -8.864 1.00 0.00 H new ATOM 0 HH12 ARG A 125 14.502 -6.116 -9.801 1.00 0.00 H new ATOM 0 HH21 ARG A 125 16.193 -6.105 -12.915 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.648 -6.357 -12.096 1.00 0.00 H new ATOM 630 N ILE A 126 21.046 -3.075 -6.396 1.00 0.00 N ATOM 631 CA ILE A 126 21.947 -2.831 -5.279 1.00 0.00 C ATOM 632 C ILE A 126 22.924 -4.001 -5.169 1.00 0.00 C ATOM 633 O ILE A 126 22.846 -4.949 -5.955 1.00 0.00 O ATOM 634 CB ILE A 126 21.133 -2.665 -3.981 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.195 -3.870 -3.792 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.311 -1.371 -4.051 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.621 -3.872 -2.374 1.00 0.00 C ATOM 0 H ILE A 126 20.722 -4.040 -6.461 1.00 0.00 H new ATOM 0 HA ILE A 126 22.512 -1.913 -5.442 1.00 0.00 H new ATOM 0 HB ILE A 126 21.817 -2.612 -3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.385 -3.828 -4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.740 -4.797 -3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 126 19.736 -1.255 -3.132 1.00 0.00 H new ATOM 0 HG22 ILE A 126 20.982 -0.520 -4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.631 -1.418 -4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 126 18.959 -4.729 -2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.435 -3.936 -1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.060 -2.953 -2.207 1.00 0.00 H new ATOM 649 N GLY A 127 23.841 -3.938 -4.192 1.00 0.00 N ATOM 650 CA GLY A 127 24.821 -4.995 -3.975 1.00 0.00 C ATOM 651 C GLY A 127 24.172 -6.175 -3.251 1.00 0.00 C ATOM 652 O GLY A 127 24.622 -6.576 -2.181 1.00 0.00 O ATOM 0 H GLY A 127 23.918 -3.158 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.229 -5.325 -4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.655 -4.612 -3.387 1.00 0.00 H new ATOM 656 N LYS A 128 23.111 -6.723 -3.849 1.00 0.00 N ATOM 657 CA LYS A 128 22.382 -7.848 -3.293 1.00 0.00 C ATOM 658 C LYS A 128 21.572 -8.500 -4.408 1.00 0.00 C ATOM 659 O LYS A 128 21.607 -9.714 -4.572 1.00 0.00 O ATOM 660 CB LYS A 128 21.464 -7.367 -2.162 1.00 0.00 C ATOM 661 CG LYS A 128 20.888 -8.577 -1.418 1.00 0.00 C ATOM 662 CD LYS A 128 19.813 -8.121 -0.422 1.00 0.00 C ATOM 663 CE LYS A 128 18.454 -7.994 -1.125 1.00 0.00 C ATOM 664 NZ LYS A 128 17.887 -9.319 -1.447 1.00 0.00 N ATOM 0 H LYS A 128 22.737 -6.391 -4.738 1.00 0.00 H new ATOM 0 HA LYS A 128 23.075 -8.579 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 128 22.022 -6.734 -1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.656 -6.759 -2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 128 20.459 -9.281 -2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 128 21.684 -9.102 -0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.741 -8.836 0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 128 20.095 -7.163 0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.762 -7.446 -0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 128 18.569 -7.414 -2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.851 -9.282 -1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 18.150 -9.582 -2.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 18.261 -10.027 -0.783 1.00 0.00 H new ATOM 678 N GLN A 129 20.847 -7.676 -5.177 1.00 0.00 N ATOM 679 CA GLN A 129 20.045 -8.154 -6.292 1.00 0.00 C ATOM 680 C GLN A 129 20.939 -8.853 -7.308 1.00 0.00 C ATOM 681 O GLN A 129 20.671 -9.984 -7.691 1.00 0.00 O ATOM 682 CB GLN A 129 19.337 -6.966 -6.949 1.00 0.00 C ATOM 683 CG GLN A 129 18.118 -6.549 -6.121 1.00 0.00 C ATOM 684 CD GLN A 129 16.820 -6.908 -6.834 1.00 0.00 C ATOM 685 OE1 GLN A 129 15.986 -6.042 -7.078 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.651 -8.186 -7.173 1.00 0.00 N ATOM 0 H GLN A 129 20.805 -6.666 -5.038 1.00 0.00 H new ATOM 0 HA GLN A 129 19.302 -8.864 -5.930 1.00 0.00 H new ATOM 0 HB2 GLN A 129 20.027 -6.127 -7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 129 19.025 -7.233 -7.959 1.00 0.00 H new ATOM 0 HG2 GLN A 129 18.150 -7.040 -5.149 1.00 0.00 H new ATOM 0 HG3 GLN A 129 18.150 -5.475 -5.937 1.00 0.00 H new ATOM 0 HE21 GLN A 129 17.372 -8.872 -6.950 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.801 -8.478 -7.656 1.00 0.00 H new ATOM 695 N CYS A 130 22.001 -8.166 -7.744 1.00 0.00 N ATOM 696 CA CYS A 130 22.932 -8.710 -8.723 1.00 0.00 C ATOM 697 C CYS A 130 23.549 -10.006 -8.197 1.00 0.00 C ATOM 698 O CYS A 130 23.709 -10.967 -8.947 1.00 0.00 O ATOM 699 CB CYS A 130 24.021 -7.674 -9.017 1.00 0.00 C ATOM 700 SG CYS A 130 23.266 -6.244 -9.832 1.00 0.00 S ATOM 0 H CYS A 130 22.233 -7.225 -7.427 1.00 0.00 H new ATOM 0 HA CYS A 130 22.399 -8.937 -9.647 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.508 -7.367 -8.092 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.792 -8.108 -9.654 1.00 0.00 H new ATOM 0 HG CYS A 130 24.181 -5.356 -10.085 1.00 0.00 H new ATOM 706 N ARG A 131 23.894 -10.029 -6.904 1.00 0.00 N ATOM 707 CA ARG A 131 24.492 -11.199 -6.285 1.00 0.00 C ATOM 708 C ARG A 131 23.516 -12.373 -6.342 1.00 0.00 C ATOM 709 O ARG A 131 23.853 -13.426 -6.861 1.00 0.00 O ATOM 710 CB ARG A 131 24.876 -10.861 -4.836 1.00 0.00 C ATOM 711 CG ARG A 131 25.714 -11.997 -4.223 1.00 0.00 C ATOM 712 CD ARG A 131 24.830 -12.925 -3.379 1.00 0.00 C ATOM 713 NE ARG A 131 24.227 -12.200 -2.251 1.00 0.00 N ATOM 714 CZ ARG A 131 23.211 -12.693 -1.520 1.00 0.00 C ATOM 715 NH1 ARG A 131 22.791 -13.952 -1.711 1.00 0.00 N ATOM 716 NH2 ARG A 131 22.615 -11.922 -0.602 1.00 0.00 N ATOM 0 H ARG A 131 23.765 -9.241 -6.270 1.00 0.00 H new ATOM 0 HA ARG A 131 25.394 -11.488 -6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.441 -9.929 -4.811 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.976 -10.704 -4.242 1.00 0.00 H new ATOM 0 HG2 ARG A 131 26.197 -12.568 -5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.507 -11.578 -3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.044 -13.351 -4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 131 25.425 -13.757 -3.004 1.00 0.00 H new ATOM 0 HE ARG A 131 24.596 -11.280 -2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 131 23.242 -14.539 -2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 131 22.020 -14.322 -1.155 1.00 0.00 H new ATOM 0 HH21 ARG A 131 22.931 -10.963 -0.458 1.00 0.00 H new ATOM 0 HH22 ARG A 131 21.844 -12.294 -0.047 1.00 0.00 H new ATOM 730 N GLU A 132 22.308 -12.187 -5.803 1.00 0.00 N ATOM 731 CA GLU A 132 21.296 -13.237 -5.771 1.00 0.00 C ATOM 732 C GLU A 132 20.956 -13.703 -7.179 1.00 0.00 C ATOM 733 O GLU A 132 20.913 -14.902 -7.426 1.00 0.00 O ATOM 734 CB GLU A 132 20.054 -12.708 -5.050 1.00 0.00 C ATOM 735 CG GLU A 132 20.320 -12.717 -3.541 1.00 0.00 C ATOM 736 CD GLU A 132 19.454 -11.708 -2.791 1.00 0.00 C ATOM 737 OE1 GLU A 132 18.642 -11.025 -3.454 1.00 0.00 O ATOM 738 OE2 GLU A 132 19.623 -11.631 -1.554 1.00 0.00 O ATOM 0 H GLU A 132 22.009 -11.308 -5.380 1.00 0.00 H new ATOM 0 HA GLU A 132 21.684 -14.100 -5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.823 -11.697 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.188 -13.327 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 132 20.132 -13.716 -3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 132 21.372 -12.495 -3.359 1.00 0.00 H new ATOM 745 N ARG A 133 20.720 -12.766 -8.103 1.00 0.00 N ATOM 746 CA ARG A 133 20.395 -13.114 -9.479 1.00 0.00 C ATOM 747 C ARG A 133 21.402 -14.142 -9.998 1.00 0.00 C ATOM 748 O ARG A 133 21.045 -15.023 -10.780 1.00 0.00 O ATOM 749 CB ARG A 133 20.405 -11.844 -10.348 1.00 0.00 C ATOM 750 CG ARG A 133 19.819 -12.129 -11.740 1.00 0.00 C ATOM 751 CD ARG A 133 18.307 -12.362 -11.648 1.00 0.00 C ATOM 752 NE ARG A 133 17.721 -12.492 -12.991 1.00 0.00 N ATOM 753 CZ ARG A 133 16.519 -13.050 -13.229 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.871 -13.696 -12.258 1.00 0.00 N ATOM 755 NH2 ARG A 133 15.969 -12.959 -14.443 1.00 0.00 N ATOM 0 H ARG A 133 20.749 -11.763 -7.918 1.00 0.00 H new ATOM 0 HA ARG A 133 19.399 -13.554 -9.525 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.827 -11.059 -9.859 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.425 -11.474 -10.447 1.00 0.00 H new ATOM 0 HG2 ARG A 133 20.024 -11.291 -12.406 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.302 -13.005 -12.172 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.107 -13.264 -11.069 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.837 -11.533 -11.119 1.00 0.00 H new ATOM 0 HE ARG A 133 18.255 -12.140 -13.786 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.286 -13.769 -11.329 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.961 -14.117 -12.445 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.460 -12.467 -15.190 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.058 -13.382 -14.623 1.00 0.00 H new ATOM 769 N TRP A 134 22.662 -14.030 -9.553 1.00 0.00 N ATOM 770 CA TRP A 134 23.701 -14.941 -9.973 1.00 0.00 C ATOM 771 C TRP A 134 23.720 -16.207 -9.112 1.00 0.00 C ATOM 772 O TRP A 134 23.789 -17.316 -9.644 1.00 0.00 O ATOM 773 CB TRP A 134 25.059 -14.248 -9.919 1.00 0.00 C ATOM 774 CG TRP A 134 26.035 -14.920 -10.802 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.951 -15.825 -10.432 1.00 0.00 C ATOM 776 CD2 TRP A 134 26.136 -14.822 -12.240 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.598 -16.333 -11.529 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.117 -15.752 -12.689 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.474 -14.057 -13.221 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.396 -15.942 -14.040 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.772 -14.218 -14.578 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.718 -15.170 -14.994 1.00 0.00 C ATOM 0 H TRP A 134 22.973 -13.310 -8.900 1.00 0.00 H new ATOM 0 HA TRP A 134 23.489 -15.239 -11.000 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.951 -13.205 -10.218 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.430 -14.249 -8.894 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.152 -16.114 -9.411 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.332 -17.041 -11.495 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.727 -13.337 -12.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.126 -16.675 -14.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 25.271 -13.605 -15.313 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.922 -15.307 -16.046 1.00 0.00 H new ATOM 793 N HIS A 135 23.674 -16.047 -7.786 1.00 0.00 N ATOM 794 CA HIS A 135 23.742 -17.174 -6.863 1.00 0.00 C ATOM 795 C HIS A 135 22.367 -17.834 -6.702 1.00 0.00 C ATOM 796 O HIS A 135 21.959 -18.165 -5.590 1.00 0.00 O ATOM 797 CB HIS A 135 24.292 -16.684 -5.518 1.00 0.00 C ATOM 798 CG HIS A 135 25.766 -16.368 -5.586 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.741 -17.227 -5.089 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.467 -15.301 -6.094 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.932 -16.639 -5.320 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.834 -15.459 -5.932 1.00 0.00 N ATOM 0 H HIS A 135 23.589 -15.139 -7.329 1.00 0.00 H new ATOM 0 HA HIS A 135 24.413 -17.934 -7.264 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.745 -15.794 -5.206 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.120 -17.446 -4.758 1.00 0.00 H new ATOM 0 HD2 HIS A 135 26.008 -14.443 -6.563 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.875 -17.082 -5.036 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.583 -14.826 -6.213 1.00 0.00 H new ATOM 810 N ASN A 136 21.666 -18.039 -7.824 1.00 0.00 N ATOM 811 CA ASN A 136 20.375 -18.715 -7.832 1.00 0.00 C ATOM 812 C ASN A 136 20.198 -19.449 -9.148 1.00 0.00 C ATOM 813 O ASN A 136 20.372 -20.664 -9.217 1.00 0.00 O ATOM 814 CB ASN A 136 19.235 -17.706 -7.654 1.00 0.00 C ATOM 815 CG ASN A 136 18.921 -17.481 -6.189 1.00 0.00 C ATOM 816 OD1 ASN A 136 18.160 -18.237 -5.593 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.498 -16.442 -5.610 1.00 0.00 N ATOM 0 H ASN A 136 21.982 -17.740 -8.746 1.00 0.00 H new ATOM 0 HA ASN A 136 20.347 -19.424 -7.004 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.509 -16.759 -8.119 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.344 -18.067 -8.168 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.317 -16.241 -4.626 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.124 -15.841 -6.147 1.00 0.00 H new ATOM 824 N HIS A 137 19.829 -18.700 -10.189 1.00 0.00 N ATOM 825 CA HIS A 137 19.541 -19.283 -11.500 1.00 0.00 C ATOM 826 C HIS A 137 20.812 -19.398 -12.364 1.00 0.00 C ATOM 827 O HIS A 137 21.388 -20.480 -12.462 1.00 0.00 O ATOM 828 CB HIS A 137 18.436 -18.475 -12.219 1.00 0.00 C ATOM 829 CG HIS A 137 17.774 -17.440 -11.344 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.784 -17.757 -10.421 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.939 -16.084 -11.234 1.00 0.00 C ATOM 832 CE1 HIS A 137 16.424 -16.601 -9.826 1.00 0.00 C ATOM 833 NE2 HIS A 137 17.092 -15.539 -10.280 1.00 0.00 N ATOM 0 H HIS A 137 19.723 -17.686 -10.149 1.00 0.00 H new ATOM 0 HA HIS A 137 19.173 -20.297 -11.344 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.868 -17.980 -13.089 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.677 -19.164 -12.589 1.00 0.00 H new ATOM 0 HD1 HIS A 137 16.404 -18.684 -10.231 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.643 -15.510 -11.819 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.668 -16.541 -9.057 1.00 0.00 H new ATOM 841 N LEU A 138 21.237 -18.297 -13.010 1.00 0.00 N ATOM 842 CA LEU A 138 22.374 -18.334 -13.931 1.00 0.00 C ATOM 843 C LEU A 138 23.694 -18.081 -13.195 1.00 0.00 C ATOM 844 O LEU A 138 24.136 -16.945 -13.061 1.00 0.00 O ATOM 845 CB LEU A 138 22.156 -17.328 -15.076 1.00 0.00 C ATOM 846 CG LEU A 138 21.848 -15.919 -14.535 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.683 -14.890 -15.292 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.373 -15.598 -14.740 1.00 0.00 C ATOM 0 H LEU A 138 20.808 -17.377 -12.908 1.00 0.00 H new ATOM 0 HA LEU A 138 22.441 -19.332 -14.364 1.00 0.00 H new ATOM 0 HB2 LEU A 138 23.046 -17.292 -15.705 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.333 -17.665 -15.707 1.00 0.00 H new ATOM 0 HG LEU A 138 22.087 -15.887 -13.472 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.466 -13.893 -14.910 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.742 -15.108 -15.154 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.439 -14.933 -16.353 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.161 -14.600 -14.356 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.137 -15.635 -15.804 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.764 -16.329 -14.208 1.00 0.00 H new