USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 113 LYS NZ :NH3+ -177:sc= 1.4 (180deg=0) USER MOD Set 1.2: A 135 HIS : no HE2:sc= 1.1 K(o=2.5,f=-5.3!) USER MOD Set 2.1: A 109 LYS NZ :NH3+ -133:sc= 1.09 (180deg=-0.11) USER MOD Set 2.2: A 110 TYR OH : rot -152:sc= 0.366 USER MOD Set 2.3: A 121 HIS : no HE2:sc= -0.0414 K(o=1.4,f=0.6) USER MOD Single : A 96 THR OG1 : rot 102:sc= 0.0739 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.0317! C(o=-0.032!,f=-4.4!) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= -0.124 USER MOD Single : A 120 LYS NZ :NH3+ 169:sc=-0.00187 (180deg=-0.218) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.948 K(o=-0.95,f=-4.3!) USER MOD Single : A 130 CYS SG : rot 180:sc= 0 USER MOD Single : A 136 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.3) USER MOD Single : A 137 HIS : no HE2:sc= 0.334 K(o=0.33,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.213 -8.755 -13.475 1.00 0.00 N ATOM 85 CA TRP A 95 14.492 -8.832 -14.160 1.00 0.00 C ATOM 86 C TRP A 95 14.264 -9.027 -15.653 1.00 0.00 C ATOM 87 O TRP A 95 13.533 -9.933 -16.053 1.00 0.00 O ATOM 88 CB TRP A 95 15.295 -10.000 -13.589 1.00 0.00 C ATOM 89 CG TRP A 95 16.122 -9.659 -12.394 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.715 -9.701 -11.114 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.507 -9.215 -12.347 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.729 -9.325 -10.264 1.00 0.00 N ATOM 93 CE2 TRP A 95 17.873 -9.008 -10.979 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.498 -8.961 -13.321 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.147 -8.575 -10.603 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.782 -8.519 -12.949 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.107 -8.327 -11.594 1.00 0.00 C ATOM 0 HA TRP A 95 15.048 -7.907 -14.011 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.606 -10.801 -13.321 1.00 0.00 H new ATOM 0 HB3 TRP A 95 15.950 -10.390 -14.369 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.725 -9.991 -10.795 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.650 -9.285 -9.248 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.268 -9.108 -14.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.390 -8.433 -9.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.523 -8.326 -13.710 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.095 -7.989 -11.317 1.00 0.00 H new ATOM 108 N THR A 96 14.893 -8.179 -16.476 1.00 0.00 N ATOM 109 CA THR A 96 14.768 -8.274 -17.923 1.00 0.00 C ATOM 110 C THR A 96 15.940 -9.087 -18.475 1.00 0.00 C ATOM 111 O THR A 96 17.003 -9.150 -17.855 1.00 0.00 O ATOM 112 CB THR A 96 14.720 -6.867 -18.546 1.00 0.00 C ATOM 113 OG1 THR A 96 16.028 -6.356 -18.696 1.00 0.00 O ATOM 114 CG2 THR A 96 13.905 -5.923 -17.653 1.00 0.00 C ATOM 0 H THR A 96 15.494 -7.419 -16.156 1.00 0.00 H new ATOM 0 HA THR A 96 13.838 -8.781 -18.182 1.00 0.00 H new ATOM 0 HB THR A 96 14.246 -6.937 -19.525 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.307 -6.442 -19.631 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.877 -4.930 -18.103 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.889 -6.304 -17.552 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.369 -5.862 -16.669 1.00 0.00 H new ATOM 122 N LYS A 97 15.740 -9.711 -19.642 1.00 0.00 N ATOM 123 CA LYS A 97 16.769 -10.526 -20.273 1.00 0.00 C ATOM 124 C LYS A 97 18.046 -9.710 -20.473 1.00 0.00 C ATOM 125 O LYS A 97 19.144 -10.239 -20.330 1.00 0.00 O ATOM 126 CB LYS A 97 16.240 -11.050 -21.613 1.00 0.00 C ATOM 127 CG LYS A 97 17.231 -12.054 -22.211 1.00 0.00 C ATOM 128 CD LYS A 97 16.653 -12.638 -23.502 1.00 0.00 C ATOM 129 CE LYS A 97 17.649 -13.629 -24.109 1.00 0.00 C ATOM 130 NZ LYS A 97 17.123 -14.212 -25.357 1.00 0.00 N ATOM 0 H LYS A 97 14.867 -9.662 -20.167 1.00 0.00 H new ATOM 0 HA LYS A 97 17.012 -11.372 -19.630 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.270 -11.526 -21.469 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.089 -10.220 -22.303 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.182 -11.563 -22.416 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.431 -12.852 -21.496 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.707 -13.139 -23.295 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.442 -11.838 -24.212 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.593 -13.123 -24.310 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.859 -14.423 -23.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.818 -14.880 -25.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.234 -14.714 -25.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.946 -13.454 -26.047 1.00 0.00 H new ATOM 144 N GLU A 98 17.900 -8.423 -20.805 1.00 0.00 N ATOM 145 CA GLU A 98 19.044 -7.553 -21.026 1.00 0.00 C ATOM 146 C GLU A 98 19.755 -7.301 -19.704 1.00 0.00 C ATOM 147 O GLU A 98 20.967 -7.427 -19.630 1.00 0.00 O ATOM 148 CB GLU A 98 18.594 -6.234 -21.662 1.00 0.00 C ATOM 149 CG GLU A 98 19.814 -5.315 -21.831 1.00 0.00 C ATOM 150 CD GLU A 98 19.513 -4.144 -22.757 1.00 0.00 C ATOM 151 OE1 GLU A 98 18.323 -3.774 -22.844 1.00 0.00 O ATOM 152 OE2 GLU A 98 20.488 -3.640 -23.362 1.00 0.00 O ATOM 0 H GLU A 98 16.996 -7.966 -20.925 1.00 0.00 H new ATOM 0 HA GLU A 98 19.739 -8.038 -21.712 1.00 0.00 H new ATOM 0 HB2 GLU A 98 18.128 -6.423 -22.629 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.844 -5.751 -21.036 1.00 0.00 H new ATOM 0 HG2 GLU A 98 20.123 -4.938 -20.856 1.00 0.00 H new ATOM 0 HG3 GLU A 98 20.650 -5.889 -22.231 1.00 0.00 H new ATOM 159 N GLU A 99 18.996 -6.949 -18.659 1.00 0.00 N ATOM 160 CA GLU A 99 19.566 -6.695 -17.341 1.00 0.00 C ATOM 161 C GLU A 99 20.424 -7.891 -16.934 1.00 0.00 C ATOM 162 O GLU A 99 21.544 -7.727 -16.456 1.00 0.00 O ATOM 163 CB GLU A 99 18.424 -6.472 -16.334 1.00 0.00 C ATOM 164 CG GLU A 99 18.508 -5.066 -15.730 1.00 0.00 C ATOM 165 CD GLU A 99 17.116 -4.511 -15.464 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.276 -5.290 -14.958 1.00 0.00 O ATOM 167 OE2 GLU A 99 16.911 -3.318 -15.771 1.00 0.00 O ATOM 0 H GLU A 99 17.984 -6.835 -18.707 1.00 0.00 H new ATOM 0 HA GLU A 99 20.193 -5.803 -17.360 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.463 -6.604 -16.830 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.479 -7.218 -15.542 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.076 -5.097 -14.800 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.045 -4.404 -16.410 1.00 0.00 H new ATOM 174 N ASP A 100 19.890 -9.096 -17.140 1.00 0.00 N ATOM 175 CA ASP A 100 20.597 -10.323 -16.830 1.00 0.00 C ATOM 176 C ASP A 100 21.835 -10.458 -17.719 1.00 0.00 C ATOM 177 O ASP A 100 22.921 -10.773 -17.230 1.00 0.00 O ATOM 178 CB ASP A 100 19.641 -11.500 -17.029 1.00 0.00 C ATOM 179 CG ASP A 100 18.810 -11.723 -15.785 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.418 -12.032 -14.743 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.577 -11.577 -15.895 1.00 0.00 O ATOM 0 H ASP A 100 18.957 -9.240 -17.526 1.00 0.00 H new ATOM 0 HA ASP A 100 20.937 -10.310 -15.794 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.988 -11.306 -17.880 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.208 -12.402 -17.261 1.00 0.00 H new ATOM 186 N GLN A 101 21.672 -10.217 -19.025 1.00 0.00 N ATOM 187 CA GLN A 101 22.775 -10.303 -19.975 1.00 0.00 C ATOM 188 C GLN A 101 23.906 -9.357 -19.559 1.00 0.00 C ATOM 189 O GLN A 101 25.078 -9.693 -19.709 1.00 0.00 O ATOM 190 CB GLN A 101 22.259 -9.965 -21.382 1.00 0.00 C ATOM 191 CG GLN A 101 23.243 -10.471 -22.447 1.00 0.00 C ATOM 192 CD GLN A 101 24.184 -9.365 -22.916 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.741 -8.354 -23.457 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.484 -9.561 -22.715 1.00 0.00 N ATOM 0 H GLN A 101 20.779 -9.960 -19.445 1.00 0.00 H new ATOM 0 HA GLN A 101 23.175 -11.317 -19.983 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.280 -10.419 -21.537 1.00 0.00 H new ATOM 0 HB3 GLN A 101 22.129 -8.887 -21.480 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.826 -11.297 -22.040 1.00 0.00 H new ATOM 0 HG3 GLN A 101 22.688 -10.862 -23.299 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.807 -10.416 -22.262 1.00 0.00 H new ATOM 0 HE22 GLN A 101 26.158 -8.856 -23.014 1.00 0.00 H new ATOM 203 N ARG A 102 23.552 -8.176 -19.034 1.00 0.00 N ATOM 204 CA ARG A 102 24.536 -7.195 -18.603 1.00 0.00 C ATOM 205 C ARG A 102 25.316 -7.743 -17.410 1.00 0.00 C ATOM 206 O ARG A 102 26.539 -7.664 -17.389 1.00 0.00 O ATOM 207 CB ARG A 102 23.840 -5.877 -18.237 1.00 0.00 C ATOM 208 CG ARG A 102 23.181 -5.266 -19.480 1.00 0.00 C ATOM 209 CD ARG A 102 24.174 -4.373 -20.228 1.00 0.00 C ATOM 210 NE ARG A 102 23.681 -4.096 -21.585 1.00 0.00 N ATOM 211 CZ ARG A 102 23.772 -4.980 -22.597 1.00 0.00 C ATOM 212 NH1 ARG A 102 24.717 -5.931 -22.590 1.00 0.00 N ATOM 213 NH2 ARG A 102 22.908 -4.912 -23.618 1.00 0.00 N ATOM 0 H ARG A 102 22.584 -7.883 -18.900 1.00 0.00 H new ATOM 0 HA ARG A 102 25.233 -6.999 -19.418 1.00 0.00 H new ATOM 0 HB2 ARG A 102 23.089 -6.055 -17.468 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.564 -5.178 -17.819 1.00 0.00 H new ATOM 0 HG2 ARG A 102 22.828 -6.059 -20.139 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.308 -4.683 -19.187 1.00 0.00 H new ATOM 0 HD2 ARG A 102 24.314 -3.438 -19.686 1.00 0.00 H new ATOM 0 HD3 ARG A 102 25.147 -4.861 -20.279 1.00 0.00 H new ATOM 0 HE ARG A 102 23.249 -3.190 -21.769 1.00 0.00 H new ATOM 0 HH11 ARG A 102 25.376 -5.990 -21.813 1.00 0.00 H new ATOM 0 HH12 ARG A 102 24.777 -6.596 -23.361 1.00 0.00 H new ATOM 0 HH21 ARG A 102 22.185 -4.193 -23.627 1.00 0.00 H new ATOM 0 HH22 ARG A 102 22.973 -5.579 -24.387 1.00 0.00 H new ATOM 227 N VAL A 103 24.611 -8.307 -16.417 1.00 0.00 N ATOM 228 CA VAL A 103 25.270 -8.878 -15.248 1.00 0.00 C ATOM 229 C VAL A 103 26.265 -9.945 -15.706 1.00 0.00 C ATOM 230 O VAL A 103 27.410 -9.941 -15.270 1.00 0.00 O ATOM 231 CB VAL A 103 24.227 -9.460 -14.280 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.928 -10.256 -13.174 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.433 -8.320 -13.640 1.00 0.00 C ATOM 0 H VAL A 103 23.593 -8.376 -16.406 1.00 0.00 H new ATOM 0 HA VAL A 103 25.815 -8.100 -14.713 1.00 0.00 H new ATOM 0 HB VAL A 103 23.557 -10.117 -14.835 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.183 -10.665 -12.492 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.499 -11.071 -13.619 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.601 -9.599 -12.624 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.693 -8.732 -12.954 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.112 -7.667 -13.092 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.927 -7.748 -14.418 1.00 0.00 H new ATOM 243 N ILE A 104 25.830 -10.848 -16.599 1.00 0.00 N ATOM 244 CA ILE A 104 26.708 -11.881 -17.142 1.00 0.00 C ATOM 245 C ILE A 104 27.955 -11.215 -17.735 1.00 0.00 C ATOM 246 O ILE A 104 29.081 -11.606 -17.428 1.00 0.00 O ATOM 247 CB ILE A 104 25.951 -12.685 -18.219 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.933 -13.627 -17.559 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.952 -13.500 -19.056 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.938 -14.153 -18.601 1.00 0.00 C ATOM 0 H ILE A 104 24.875 -10.879 -16.956 1.00 0.00 H new ATOM 0 HA ILE A 104 27.016 -12.567 -16.353 1.00 0.00 H new ATOM 0 HB ILE A 104 25.418 -11.992 -18.870 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.452 -14.462 -17.089 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.398 -13.099 -16.770 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.414 -14.067 -19.816 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.658 -12.824 -19.539 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.494 -14.187 -18.407 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.223 -14.819 -18.118 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.406 -13.315 -19.052 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.477 -14.699 -19.375 1.00 0.00 H new ATOM 262 N GLU A 105 27.735 -10.204 -18.584 1.00 0.00 N ATOM 263 CA GLU A 105 28.810 -9.463 -19.234 1.00 0.00 C ATOM 264 C GLU A 105 29.832 -8.977 -18.204 1.00 0.00 C ATOM 265 O GLU A 105 31.027 -9.227 -18.343 1.00 0.00 O ATOM 266 CB GLU A 105 28.196 -8.258 -19.973 1.00 0.00 C ATOM 267 CG GLU A 105 28.491 -8.334 -21.471 1.00 0.00 C ATOM 268 CD GLU A 105 27.635 -7.328 -22.237 1.00 0.00 C ATOM 269 OE1 GLU A 105 27.270 -6.298 -21.623 1.00 0.00 O ATOM 270 OE2 GLU A 105 27.353 -7.609 -23.421 1.00 0.00 O ATOM 0 H GLU A 105 26.802 -9.880 -18.837 1.00 0.00 H new ATOM 0 HA GLU A 105 29.326 -10.115 -19.939 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.118 -8.236 -19.810 1.00 0.00 H new ATOM 0 HB3 GLU A 105 28.599 -7.331 -19.565 1.00 0.00 H new ATOM 0 HG2 GLU A 105 29.547 -8.132 -21.650 1.00 0.00 H new ATOM 0 HG3 GLU A 105 28.292 -9.342 -21.836 1.00 0.00 H new ATOM 277 N LEU A 106 29.354 -8.265 -17.182 1.00 0.00 N ATOM 278 CA LEU A 106 30.215 -7.672 -16.168 1.00 0.00 C ATOM 279 C LEU A 106 30.919 -8.742 -15.332 1.00 0.00 C ATOM 280 O LEU A 106 32.091 -8.581 -14.994 1.00 0.00 O ATOM 281 CB LEU A 106 29.376 -6.752 -15.279 1.00 0.00 C ATOM 282 CG LEU A 106 28.767 -5.616 -16.119 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.795 -4.822 -15.252 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.872 -4.692 -16.640 1.00 0.00 C ATOM 0 H LEU A 106 28.360 -8.086 -17.038 1.00 0.00 H new ATOM 0 HA LEU A 106 30.994 -7.092 -16.663 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.583 -7.324 -14.797 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.996 -6.336 -14.485 1.00 0.00 H new ATOM 0 HG LEU A 106 28.238 -6.041 -16.972 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.359 -4.015 -15.840 1.00 0.00 H new ATOM 0 HD12 LEU A 106 27.003 -5.481 -14.897 1.00 0.00 H new ATOM 0 HD13 LEU A 106 28.328 -4.402 -14.399 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.428 -3.892 -17.233 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.414 -4.262 -15.798 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.562 -5.264 -17.261 1.00 0.00 H new ATOM 296 N VAL A 107 30.219 -9.832 -14.994 1.00 0.00 N ATOM 297 CA VAL A 107 30.812 -10.903 -14.206 1.00 0.00 C ATOM 298 C VAL A 107 31.966 -11.521 -14.992 1.00 0.00 C ATOM 299 O VAL A 107 33.010 -11.817 -14.427 1.00 0.00 O ATOM 300 CB VAL A 107 29.745 -11.953 -13.856 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.420 -13.225 -13.329 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.815 -11.397 -12.773 1.00 0.00 C ATOM 0 H VAL A 107 29.246 -9.989 -15.256 1.00 0.00 H new ATOM 0 HA VAL A 107 31.203 -10.505 -13.270 1.00 0.00 H new ATOM 0 HB VAL A 107 29.171 -12.189 -14.752 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.659 -13.965 -13.083 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.084 -13.628 -14.094 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.997 -12.987 -12.436 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.059 -12.142 -12.525 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.396 -11.159 -11.882 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.328 -10.494 -13.140 1.00 0.00 H new ATOM 312 N GLN A 108 31.776 -11.705 -16.300 1.00 0.00 N ATOM 313 CA GLN A 108 32.808 -12.260 -17.158 1.00 0.00 C ATOM 314 C GLN A 108 33.940 -11.239 -17.340 1.00 0.00 C ATOM 315 O GLN A 108 35.106 -11.615 -17.441 1.00 0.00 O ATOM 316 CB GLN A 108 32.181 -12.630 -18.507 1.00 0.00 C ATOM 317 CG GLN A 108 33.211 -13.341 -19.390 1.00 0.00 C ATOM 318 CD GLN A 108 32.569 -13.844 -20.678 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.612 -15.035 -20.973 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.973 -12.932 -21.449 1.00 0.00 N ATOM 0 H GLN A 108 30.909 -11.474 -16.785 1.00 0.00 H new ATOM 0 HA GLN A 108 33.233 -13.156 -16.705 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.317 -13.276 -18.350 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.820 -11.731 -19.008 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.026 -12.657 -19.628 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.647 -14.178 -18.845 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.961 -11.953 -21.164 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.529 -13.214 -22.323 1.00 0.00 H new ATOM 329 N LYS A 109 33.585 -9.947 -17.388 1.00 0.00 N ATOM 330 CA LYS A 109 34.549 -8.873 -17.589 1.00 0.00 C ATOM 331 C LYS A 109 35.502 -8.759 -16.393 1.00 0.00 C ATOM 332 O LYS A 109 36.709 -8.925 -16.549 1.00 0.00 O ATOM 333 CB LYS A 109 33.783 -7.560 -17.806 1.00 0.00 C ATOM 334 CG LYS A 109 34.748 -6.437 -18.199 1.00 0.00 C ATOM 335 CD LYS A 109 33.940 -5.191 -18.583 1.00 0.00 C ATOM 336 CE LYS A 109 34.882 -4.068 -19.031 1.00 0.00 C ATOM 337 NZ LYS A 109 35.585 -3.467 -17.883 1.00 0.00 N ATOM 0 H LYS A 109 32.622 -9.625 -17.288 1.00 0.00 H new ATOM 0 HA LYS A 109 35.158 -9.090 -18.466 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.034 -7.694 -18.586 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.250 -7.288 -16.895 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.418 -6.210 -17.370 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.372 -6.753 -19.035 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.243 -5.433 -19.386 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.344 -4.859 -17.733 1.00 0.00 H new ATOM 0 HE2 LYS A 109 35.610 -4.463 -19.740 1.00 0.00 H new ATOM 0 HE3 LYS A 109 34.312 -3.300 -19.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 35.536 -2.430 -17.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 35.135 -3.778 -16.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 36.581 -3.768 -17.889 1.00 0.00 H new ATOM 351 N TYR A 110 34.959 -8.458 -15.206 1.00 0.00 N ATOM 352 CA TYR A 110 35.770 -8.272 -14.006 1.00 0.00 C ATOM 353 C TYR A 110 35.982 -9.600 -13.286 1.00 0.00 C ATOM 354 O TYR A 110 37.117 -9.985 -13.005 1.00 0.00 O ATOM 355 CB TYR A 110 35.070 -7.284 -13.068 1.00 0.00 C ATOM 356 CG TYR A 110 34.771 -5.942 -13.698 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.819 -5.142 -14.186 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.443 -5.487 -13.780 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.538 -3.890 -14.757 1.00 0.00 C ATOM 360 CE2 TYR A 110 33.165 -4.236 -14.349 1.00 0.00 C ATOM 361 CZ TYR A 110 34.210 -3.438 -14.838 1.00 0.00 C ATOM 362 OH TYR A 110 33.937 -2.224 -15.396 1.00 0.00 O ATOM 0 H TYR A 110 33.957 -8.339 -15.056 1.00 0.00 H new ATOM 0 HA TYR A 110 36.744 -7.879 -14.299 1.00 0.00 H new ATOM 0 HB2 TYR A 110 34.136 -7.727 -12.722 1.00 0.00 H new ATOM 0 HB3 TYR A 110 35.695 -7.129 -12.188 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.839 -5.490 -14.122 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.637 -6.101 -13.405 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.342 -3.275 -15.134 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.145 -3.886 -14.411 1.00 0.00 H new ATOM 0 HH TYR A 110 33.116 -1.861 -15.004 1.00 0.00 H new ATOM 372 N GLY A 111 34.882 -10.285 -12.971 1.00 0.00 N ATOM 373 CA GLY A 111 34.918 -11.541 -12.240 1.00 0.00 C ATOM 374 C GLY A 111 33.770 -11.564 -11.229 1.00 0.00 C ATOM 375 O GLY A 111 33.254 -10.506 -10.866 1.00 0.00 O ATOM 0 H GLY A 111 33.941 -9.979 -13.219 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.829 -12.380 -12.930 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.873 -11.650 -11.727 1.00 0.00 H new ATOM 379 N PRO A 112 33.365 -12.760 -10.768 1.00 0.00 N ATOM 380 CA PRO A 112 32.298 -12.901 -9.797 1.00 0.00 C ATOM 381 C PRO A 112 32.708 -12.294 -8.449 1.00 0.00 C ATOM 382 O PRO A 112 33.866 -11.928 -8.256 1.00 0.00 O ATOM 383 CB PRO A 112 32.046 -14.408 -9.678 1.00 0.00 C ATOM 384 CG PRO A 112 33.186 -15.107 -10.429 1.00 0.00 C ATOM 385 CD PRO A 112 33.944 -14.019 -11.189 1.00 0.00 C ATOM 0 HA PRO A 112 31.395 -12.373 -10.105 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.026 -14.715 -8.632 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.080 -14.674 -10.107 1.00 0.00 H new ATOM 0 HG2 PRO A 112 33.847 -15.625 -9.734 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.794 -15.857 -11.116 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.009 -14.054 -10.961 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.844 -14.154 -12.266 1.00 0.00 H new ATOM 393 N LYS A 113 31.741 -12.196 -7.522 1.00 0.00 N ATOM 394 CA LYS A 113 31.967 -11.647 -6.184 1.00 0.00 C ATOM 395 C LYS A 113 32.376 -10.173 -6.271 1.00 0.00 C ATOM 396 O LYS A 113 33.363 -9.763 -5.662 1.00 0.00 O ATOM 397 CB LYS A 113 33.035 -12.467 -5.433 1.00 0.00 C ATOM 398 CG LYS A 113 32.689 -13.964 -5.441 1.00 0.00 C ATOM 399 CD LYS A 113 31.334 -14.201 -4.765 1.00 0.00 C ATOM 400 CE LYS A 113 31.168 -15.693 -4.464 1.00 0.00 C ATOM 401 NZ LYS A 113 29.857 -15.968 -3.850 1.00 0.00 N ATOM 0 H LYS A 113 30.780 -12.497 -7.684 1.00 0.00 H new ATOM 0 HA LYS A 113 31.034 -11.711 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.009 -12.313 -5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 113 33.113 -12.114 -4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.661 -14.332 -6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.465 -14.526 -4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 113 31.270 -13.624 -3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 113 30.527 -13.858 -5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 113 31.269 -16.266 -5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 113 31.963 -16.023 -3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 29.791 -16.978 -3.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 29.752 -15.399 -2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 29.101 -15.722 -4.520 1.00 0.00 H new ATOM 415 N ARG A 114 31.603 -9.379 -7.024 1.00 0.00 N ATOM 416 CA ARG A 114 31.847 -7.946 -7.165 1.00 0.00 C ATOM 417 C ARG A 114 30.506 -7.220 -7.169 1.00 0.00 C ATOM 418 O ARG A 114 30.203 -6.461 -8.093 1.00 0.00 O ATOM 419 CB ARG A 114 32.618 -7.667 -8.460 1.00 0.00 C ATOM 420 CG ARG A 114 33.995 -8.332 -8.408 1.00 0.00 C ATOM 421 CD ARG A 114 34.858 -7.796 -9.552 1.00 0.00 C ATOM 422 NE ARG A 114 35.730 -8.843 -10.098 1.00 0.00 N ATOM 423 CZ ARG A 114 36.913 -9.180 -9.558 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.243 -8.752 -8.332 1.00 0.00 N ATOM 425 NH2 ARG A 114 37.766 -9.945 -10.251 1.00 0.00 N ATOM 0 H ARG A 114 30.795 -9.715 -7.549 1.00 0.00 H new ATOM 0 HA ARG A 114 32.450 -7.587 -6.331 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.056 -8.044 -9.315 1.00 0.00 H new ATOM 0 HB3 ARG A 114 32.730 -6.592 -8.601 1.00 0.00 H new ATOM 0 HG2 ARG A 114 34.474 -8.129 -7.450 1.00 0.00 H new ATOM 0 HG3 ARG A 114 33.893 -9.414 -8.490 1.00 0.00 H new ATOM 0 HD2 ARG A 114 34.217 -7.405 -10.342 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.465 -6.964 -9.194 1.00 0.00 H new ATOM 0 HE ARG A 114 35.421 -9.342 -10.932 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.595 -8.168 -7.804 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.142 -9.011 -7.926 1.00 0.00 H new ATOM 0 HH21 ARG A 114 37.517 -10.270 -11.185 1.00 0.00 H new ATOM 0 HH22 ARG A 114 38.665 -10.203 -9.845 1.00 0.00 H new ATOM 439 N TRP A 115 29.701 -7.466 -6.129 1.00 0.00 N ATOM 440 CA TRP A 115 28.372 -6.886 -6.007 1.00 0.00 C ATOM 441 C TRP A 115 28.470 -5.446 -5.504 1.00 0.00 C ATOM 442 O TRP A 115 27.913 -5.092 -4.467 1.00 0.00 O ATOM 443 CB TRP A 115 27.543 -7.777 -5.080 1.00 0.00 C ATOM 444 CG TRP A 115 27.706 -9.236 -5.378 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.147 -10.171 -4.519 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.486 -9.941 -6.637 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.230 -11.400 -5.130 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.835 -11.316 -6.454 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.036 -9.562 -7.924 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.750 -12.254 -7.487 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.945 -10.507 -8.967 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.309 -11.844 -8.751 1.00 0.00 C ATOM 0 H TRP A 115 29.959 -8.074 -5.352 1.00 0.00 H new ATOM 0 HA TRP A 115 27.876 -6.842 -6.977 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.833 -7.587 -4.047 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.491 -7.508 -5.170 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.402 -9.982 -3.487 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.540 -12.256 -4.671 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.758 -8.535 -8.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 28.022 -13.284 -7.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.592 -10.198 -9.940 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.249 -12.557 -9.560 1.00 0.00 H new ATOM 463 N SER A 116 29.188 -4.626 -6.271 1.00 0.00 N ATOM 464 CA SER A 116 29.381 -3.218 -5.985 1.00 0.00 C ATOM 465 C SER A 116 29.666 -2.522 -7.310 1.00 0.00 C ATOM 466 O SER A 116 28.968 -1.586 -7.689 1.00 0.00 O ATOM 467 CB SER A 116 30.542 -3.033 -5.000 1.00 0.00 C ATOM 468 OG SER A 116 30.295 -3.775 -3.824 1.00 0.00 O ATOM 0 H SER A 116 29.657 -4.934 -7.122 1.00 0.00 H new ATOM 0 HA SER A 116 28.494 -2.787 -5.520 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.475 -3.360 -5.458 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.660 -1.977 -4.757 1.00 0.00 H new ATOM 0 HG SER A 116 31.040 -3.655 -3.199 1.00 0.00 H new ATOM 474 N VAL A 117 30.688 -3.011 -8.025 1.00 0.00 N ATOM 475 CA VAL A 117 31.029 -2.499 -9.340 1.00 0.00 C ATOM 476 C VAL A 117 29.899 -2.860 -10.302 1.00 0.00 C ATOM 477 O VAL A 117 29.460 -2.028 -11.093 1.00 0.00 O ATOM 478 CB VAL A 117 32.363 -3.110 -9.797 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.691 -2.645 -11.219 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.484 -2.668 -8.850 1.00 0.00 C ATOM 0 H VAL A 117 31.292 -3.767 -7.703 1.00 0.00 H new ATOM 0 HA VAL A 117 31.146 -1.416 -9.316 1.00 0.00 H new ATOM 0 HB VAL A 117 32.278 -4.197 -9.783 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.638 -3.082 -11.536 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.900 -2.963 -11.898 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.769 -1.558 -11.237 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.429 -3.103 -9.177 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.562 -1.581 -8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.260 -3.006 -7.838 1.00 0.00 H new ATOM 490 N ILE A 118 29.423 -4.111 -10.215 1.00 0.00 N ATOM 491 CA ILE A 118 28.327 -4.583 -11.046 1.00 0.00 C ATOM 492 C ILE A 118 27.085 -3.732 -10.770 1.00 0.00 C ATOM 493 O ILE A 118 26.428 -3.276 -11.700 1.00 0.00 O ATOM 494 CB ILE A 118 28.061 -6.072 -10.743 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.270 -6.914 -11.191 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.804 -6.538 -11.493 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.189 -8.322 -10.595 1.00 0.00 C ATOM 0 H ILE A 118 29.789 -4.811 -9.570 1.00 0.00 H new ATOM 0 HA ILE A 118 28.583 -4.489 -12.101 1.00 0.00 H new ATOM 0 HB ILE A 118 27.908 -6.198 -9.671 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.297 -6.974 -12.279 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.195 -6.431 -10.875 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.620 -7.590 -11.276 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.948 -5.946 -11.171 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.951 -6.409 -12.565 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.050 -8.905 -10.921 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.185 -8.257 -9.507 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.273 -8.808 -10.932 1.00 0.00 H new ATOM 509 N ALA A 119 26.772 -3.521 -9.484 1.00 0.00 N ATOM 510 CA ALA A 119 25.609 -2.738 -9.083 1.00 0.00 C ATOM 511 C ALA A 119 25.698 -1.314 -9.638 1.00 0.00 C ATOM 512 O ALA A 119 24.708 -0.782 -10.131 1.00 0.00 O ATOM 513 CB ALA A 119 25.522 -2.717 -7.557 1.00 0.00 C ATOM 0 H ALA A 119 27.316 -3.887 -8.703 1.00 0.00 H new ATOM 0 HA ALA A 119 24.708 -3.197 -9.490 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.654 -2.133 -7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.424 -3.736 -7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.426 -2.266 -7.147 1.00 0.00 H new ATOM 519 N LYS A 120 26.887 -0.698 -9.555 1.00 0.00 N ATOM 520 CA LYS A 120 27.090 0.663 -10.044 1.00 0.00 C ATOM 521 C LYS A 120 26.758 0.761 -11.537 1.00 0.00 C ATOM 522 O LYS A 120 26.364 1.827 -12.009 1.00 0.00 O ATOM 523 CB LYS A 120 28.540 1.089 -9.787 1.00 0.00 C ATOM 524 CG LYS A 120 28.696 1.526 -8.325 1.00 0.00 C ATOM 525 CD LYS A 120 30.183 1.597 -7.944 1.00 0.00 C ATOM 526 CE LYS A 120 30.944 2.550 -8.878 1.00 0.00 C ATOM 527 NZ LYS A 120 30.343 3.897 -8.882 1.00 0.00 N ATOM 0 H LYS A 120 27.720 -1.127 -9.152 1.00 0.00 H new ATOM 0 HA LYS A 120 26.419 1.334 -9.508 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.217 0.262 -10.004 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.813 1.908 -10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.229 2.500 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.180 0.823 -7.671 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.282 1.936 -6.913 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.624 0.601 -7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.985 2.616 -8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.943 2.147 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 30.980 4.560 -9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 29.429 3.868 -9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 30.196 4.215 -7.903 1.00 0.00 H new ATOM 541 N HIS A 121 26.917 -0.343 -12.278 1.00 0.00 N ATOM 542 CA HIS A 121 26.633 -0.361 -13.704 1.00 0.00 C ATOM 543 C HIS A 121 25.157 -0.679 -13.923 1.00 0.00 C ATOM 544 O HIS A 121 24.511 -0.071 -14.778 1.00 0.00 O ATOM 545 CB HIS A 121 27.529 -1.396 -14.384 1.00 0.00 C ATOM 546 CG HIS A 121 28.998 -1.122 -14.172 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.499 0.149 -13.909 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.100 -1.937 -14.176 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.834 0.022 -13.776 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.268 -1.230 -13.930 1.00 0.00 N ATOM 0 H HIS A 121 27.242 -1.235 -11.904 1.00 0.00 H new ATOM 0 HA HIS A 121 26.841 0.615 -14.142 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.289 -2.387 -13.999 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.316 -1.409 -15.453 1.00 0.00 H new ATOM 0 HD1 HIS A 121 28.960 1.011 -13.832 1.00 0.00 H new ATOM 0 HD2 HIS A 121 30.063 -3.002 -14.350 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.490 0.854 -13.565 1.00 0.00 H new ATOM 558 N LEU A 122 24.621 -1.627 -13.144 1.00 0.00 N ATOM 559 CA LEU A 122 23.220 -1.999 -13.236 1.00 0.00 C ATOM 560 C LEU A 122 22.389 -0.964 -12.482 1.00 0.00 C ATOM 561 O LEU A 122 21.974 -1.199 -11.346 1.00 0.00 O ATOM 562 CB LEU A 122 23.008 -3.407 -12.644 1.00 0.00 C ATOM 563 CG LEU A 122 23.131 -4.498 -13.726 1.00 0.00 C ATOM 564 CD1 LEU A 122 22.041 -4.319 -14.789 1.00 0.00 C ATOM 565 CD2 LEU A 122 24.509 -4.448 -14.387 1.00 0.00 C ATOM 0 H LEU A 122 25.147 -2.148 -12.442 1.00 0.00 H new ATOM 0 HA LEU A 122 22.906 -2.022 -14.280 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.742 -3.587 -11.859 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.024 -3.463 -12.179 1.00 0.00 H new ATOM 0 HG LEU A 122 23.006 -5.469 -13.246 1.00 0.00 H new ATOM 0 HD11 LEU A 122 22.140 -5.096 -15.547 1.00 0.00 H new ATOM 0 HD12 LEU A 122 21.060 -4.393 -14.320 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.147 -3.340 -15.257 1.00 0.00 H new ATOM 0 HD21 LEU A 122 24.576 -5.226 -15.148 1.00 0.00 H new ATOM 0 HD22 LEU A 122 24.655 -3.473 -14.851 1.00 0.00 H new ATOM 0 HD23 LEU A 122 25.280 -4.610 -13.634 1.00 0.00 H new ATOM 577 N LYS A 123 22.153 0.187 -13.124 1.00 0.00 N ATOM 578 CA LYS A 123 21.380 1.269 -12.530 1.00 0.00 C ATOM 579 C LYS A 123 19.932 0.817 -12.334 1.00 0.00 C ATOM 580 O LYS A 123 19.086 1.031 -13.200 1.00 0.00 O ATOM 581 CB LYS A 123 21.454 2.503 -13.435 1.00 0.00 C ATOM 582 CG LYS A 123 22.887 3.054 -13.442 1.00 0.00 C ATOM 583 CD LYS A 123 23.024 4.160 -14.496 1.00 0.00 C ATOM 584 CE LYS A 123 22.205 5.388 -14.084 1.00 0.00 C ATOM 585 NZ LYS A 123 22.478 6.528 -14.978 1.00 0.00 N ATOM 0 H LYS A 123 22.493 0.388 -14.064 1.00 0.00 H new ATOM 0 HA LYS A 123 21.792 1.530 -11.555 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.150 2.241 -14.448 1.00 0.00 H new ATOM 0 HB3 LYS A 123 20.762 3.267 -13.082 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.138 3.447 -12.457 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.592 2.250 -13.654 1.00 0.00 H new ATOM 0 HD2 LYS A 123 24.072 4.435 -14.611 1.00 0.00 H new ATOM 0 HD3 LYS A 123 22.682 3.794 -15.464 1.00 0.00 H new ATOM 0 HE2 LYS A 123 21.142 5.147 -14.110 1.00 0.00 H new ATOM 0 HE3 LYS A 123 22.444 5.661 -13.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 21.912 7.347 -14.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 23.488 6.770 -14.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 22.227 6.272 -15.954 1.00 0.00 H new ATOM 599 N GLY A 124 19.661 0.187 -11.188 1.00 0.00 N ATOM 600 CA GLY A 124 18.339 -0.322 -10.867 1.00 0.00 C ATOM 601 C GLY A 124 18.445 -1.424 -9.812 1.00 0.00 C ATOM 602 O GLY A 124 17.490 -1.666 -9.073 1.00 0.00 O ATOM 0 H GLY A 124 20.357 0.019 -10.461 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.709 0.487 -10.498 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.862 -0.713 -11.766 1.00 0.00 H new ATOM 606 N ARG A 125 19.613 -2.091 -9.747 1.00 0.00 N ATOM 607 CA ARG A 125 19.853 -3.162 -8.790 1.00 0.00 C ATOM 608 C ARG A 125 20.972 -2.760 -7.837 1.00 0.00 C ATOM 609 O ARG A 125 22.039 -2.337 -8.276 1.00 0.00 O ATOM 610 CB ARG A 125 20.241 -4.445 -9.539 1.00 0.00 C ATOM 611 CG ARG A 125 19.107 -4.898 -10.466 1.00 0.00 C ATOM 612 CD ARG A 125 17.814 -5.063 -9.661 1.00 0.00 C ATOM 613 NE ARG A 125 16.941 -6.125 -10.189 1.00 0.00 N ATOM 614 CZ ARG A 125 16.443 -6.143 -11.438 1.00 0.00 C ATOM 615 NH1 ARG A 125 17.193 -5.783 -12.480 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.185 -6.535 -11.637 1.00 0.00 N ATOM 0 H ARG A 125 20.406 -1.896 -10.358 1.00 0.00 H new ATOM 0 HA ARG A 125 18.944 -3.343 -8.216 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.146 -4.272 -10.122 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.469 -5.235 -8.823 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.961 -4.167 -11.261 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.371 -5.841 -10.945 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.064 -5.287 -8.624 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.269 -4.119 -9.661 1.00 0.00 H new ATOM 0 HE ARG A 125 16.698 -6.896 -9.567 1.00 0.00 H new ATOM 0 HH11 ARG A 125 18.159 -5.489 -12.336 1.00 0.00 H new ATOM 0 HH12 ARG A 125 16.801 -5.802 -13.421 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.608 -6.818 -10.845 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.799 -6.552 -12.581 1.00 0.00 H new ATOM 630 N ILE A 126 20.728 -2.901 -6.529 1.00 0.00 N ATOM 631 CA ILE A 126 21.726 -2.572 -5.519 1.00 0.00 C ATOM 632 C ILE A 126 22.725 -3.727 -5.387 1.00 0.00 C ATOM 633 O ILE A 126 22.606 -4.741 -6.083 1.00 0.00 O ATOM 634 CB ILE A 126 21.032 -2.282 -4.175 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.171 -3.483 -3.749 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.151 -1.035 -4.316 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.897 -3.422 -2.245 1.00 0.00 C ATOM 0 H ILE A 126 19.844 -3.242 -6.150 1.00 0.00 H new ATOM 0 HA ILE A 126 22.273 -1.678 -5.819 1.00 0.00 H new ATOM 0 HB ILE A 126 21.791 -2.109 -3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.230 -3.480 -4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.682 -4.413 -3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 126 19.659 -0.828 -3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 126 20.769 -0.183 -4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.398 -1.207 -5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.287 -4.276 -1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.842 -3.447 -1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.367 -2.499 -2.009 1.00 0.00 H new ATOM 649 N GLY A 127 23.708 -3.572 -4.489 1.00 0.00 N ATOM 650 CA GLY A 127 24.722 -4.592 -4.256 1.00 0.00 C ATOM 651 C GLY A 127 24.157 -5.712 -3.385 1.00 0.00 C ATOM 652 O GLY A 127 24.675 -5.984 -2.305 1.00 0.00 O ATOM 0 H GLY A 127 23.816 -2.739 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.063 -4.999 -5.208 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.590 -4.147 -3.770 1.00 0.00 H new ATOM 656 N LYS A 128 23.089 -6.358 -3.865 1.00 0.00 N ATOM 657 CA LYS A 128 22.442 -7.444 -3.150 1.00 0.00 C ATOM 658 C LYS A 128 21.581 -8.235 -4.131 1.00 0.00 C ATOM 659 O LYS A 128 21.749 -9.440 -4.273 1.00 0.00 O ATOM 660 CB LYS A 128 21.593 -6.872 -2.006 1.00 0.00 C ATOM 661 CG LYS A 128 21.198 -7.997 -1.043 1.00 0.00 C ATOM 662 CD LYS A 128 20.079 -7.523 -0.107 1.00 0.00 C ATOM 663 CE LYS A 128 20.588 -6.391 0.794 1.00 0.00 C ATOM 664 NZ LYS A 128 19.583 -6.035 1.812 1.00 0.00 N ATOM 0 H LYS A 128 22.655 -6.137 -4.761 1.00 0.00 H new ATOM 0 HA LYS A 128 23.187 -8.112 -2.718 1.00 0.00 H new ATOM 0 HB2 LYS A 128 22.154 -6.104 -1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.700 -6.393 -2.407 1.00 0.00 H new ATOM 0 HG2 LYS A 128 20.866 -8.869 -1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 128 22.064 -8.307 -0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.227 -7.177 -0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 128 19.729 -8.355 0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 128 21.513 -6.698 1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 128 20.823 -5.516 0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 19.951 -5.267 2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 18.710 -5.721 1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 19.379 -6.866 2.403 1.00 0.00 H new ATOM 678 N GLN A 129 20.662 -7.543 -4.815 1.00 0.00 N ATOM 679 CA GLN A 129 19.787 -8.172 -5.795 1.00 0.00 C ATOM 680 C GLN A 129 20.630 -8.928 -6.817 1.00 0.00 C ATOM 681 O GLN A 129 20.347 -10.082 -7.127 1.00 0.00 O ATOM 682 CB GLN A 129 18.953 -7.100 -6.491 1.00 0.00 C ATOM 683 CG GLN A 129 18.064 -6.380 -5.477 1.00 0.00 C ATOM 684 CD GLN A 129 17.252 -5.306 -6.175 1.00 0.00 C ATOM 685 OE1 GLN A 129 17.578 -4.125 -6.096 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.201 -5.721 -6.873 1.00 0.00 N ATOM 0 H GLN A 129 20.509 -6.541 -4.702 1.00 0.00 H new ATOM 0 HA GLN A 129 19.119 -8.875 -5.296 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.609 -6.383 -6.984 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.337 -7.555 -7.267 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.398 -7.094 -4.992 1.00 0.00 H new ATOM 0 HG3 GLN A 129 18.678 -5.934 -4.694 1.00 0.00 H new ATOM 0 HE21 GLN A 129 15.972 -6.714 -6.907 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.623 -5.046 -7.375 1.00 0.00 H new ATOM 695 N CYS A 130 21.672 -8.263 -7.330 1.00 0.00 N ATOM 696 CA CYS A 130 22.594 -8.872 -8.284 1.00 0.00 C ATOM 697 C CYS A 130 23.135 -10.186 -7.713 1.00 0.00 C ATOM 698 O CYS A 130 23.155 -11.204 -8.405 1.00 0.00 O ATOM 699 CB CYS A 130 23.752 -7.910 -8.576 1.00 0.00 C ATOM 700 SG CYS A 130 23.119 -6.445 -9.432 1.00 0.00 S ATOM 0 H CYS A 130 21.895 -7.296 -7.095 1.00 0.00 H new ATOM 0 HA CYS A 130 22.064 -9.079 -9.214 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.240 -7.618 -7.646 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.505 -8.406 -9.189 1.00 0.00 H new ATOM 0 HG CYS A 130 24.100 -5.628 -9.678 1.00 0.00 H new ATOM 706 N ARG A 131 23.572 -10.155 -6.444 1.00 0.00 N ATOM 707 CA ARG A 131 24.110 -11.331 -5.775 1.00 0.00 C ATOM 708 C ARG A 131 23.086 -12.462 -5.819 1.00 0.00 C ATOM 709 O ARG A 131 23.415 -13.572 -6.235 1.00 0.00 O ATOM 710 CB ARG A 131 24.480 -10.962 -4.327 1.00 0.00 C ATOM 711 CG ARG A 131 25.336 -12.068 -3.681 1.00 0.00 C ATOM 712 CD ARG A 131 24.452 -13.145 -3.029 1.00 0.00 C ATOM 713 NE ARG A 131 23.474 -12.553 -2.105 1.00 0.00 N ATOM 714 CZ ARG A 131 23.764 -12.188 -0.846 1.00 0.00 C ATOM 715 NH1 ARG A 131 24.995 -12.374 -0.346 1.00 0.00 N ATOM 716 NH2 ARG A 131 22.813 -11.633 -0.089 1.00 0.00 N ATOM 0 H ARG A 131 23.559 -9.316 -5.864 1.00 0.00 H new ATOM 0 HA ARG A 131 25.010 -11.676 -6.284 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.027 -10.019 -4.316 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.572 -10.811 -3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.974 -12.526 -4.437 1.00 0.00 H new ATOM 0 HG3 ARG A 131 25.994 -11.631 -2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.929 -13.706 -3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 131 25.080 -13.855 -2.490 1.00 0.00 H new ATOM 0 HE ARG A 131 22.521 -12.411 -2.439 1.00 0.00 H new ATOM 0 HH11 ARG A 131 25.722 -12.796 -0.924 1.00 0.00 H new ATOM 0 HH12 ARG A 131 25.204 -12.093 0.612 1.00 0.00 H new ATOM 0 HH21 ARG A 131 21.877 -11.490 -0.469 1.00 0.00 H new ATOM 0 HH22 ARG A 131 23.023 -11.352 0.869 1.00 0.00 H new ATOM 730 N GLU A 132 21.842 -12.183 -5.392 1.00 0.00 N ATOM 731 CA GLU A 132 20.785 -13.185 -5.400 1.00 0.00 C ATOM 732 C GLU A 132 20.600 -13.729 -6.814 1.00 0.00 C ATOM 733 O GLU A 132 20.824 -14.910 -7.046 1.00 0.00 O ATOM 734 CB GLU A 132 19.467 -12.578 -4.888 1.00 0.00 C ATOM 735 CG GLU A 132 19.400 -12.641 -3.354 1.00 0.00 C ATOM 736 CD GLU A 132 19.941 -11.368 -2.720 1.00 0.00 C ATOM 737 OE1 GLU A 132 19.305 -10.313 -2.931 1.00 0.00 O ATOM 738 OE2 GLU A 132 20.980 -11.473 -2.032 1.00 0.00 O ATOM 0 H GLU A 132 21.553 -11.270 -5.039 1.00 0.00 H new ATOM 0 HA GLU A 132 21.069 -14.003 -4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.385 -11.542 -5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 132 18.622 -13.117 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.368 -12.795 -3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 132 19.973 -13.498 -2.999 1.00 0.00 H new ATOM 745 N ARG A 133 20.190 -12.862 -7.754 1.00 0.00 N ATOM 746 CA ARG A 133 19.956 -13.257 -9.144 1.00 0.00 C ATOM 747 C ARG A 133 21.022 -14.249 -9.600 1.00 0.00 C ATOM 748 O ARG A 133 20.704 -15.255 -10.235 1.00 0.00 O ATOM 749 CB ARG A 133 19.972 -12.000 -10.034 1.00 0.00 C ATOM 750 CG ARG A 133 19.530 -12.335 -11.469 1.00 0.00 C ATOM 751 CD ARG A 133 18.025 -12.621 -11.514 1.00 0.00 C ATOM 752 NE ARG A 133 17.549 -12.692 -12.906 1.00 0.00 N ATOM 753 CZ ARG A 133 16.424 -13.333 -13.282 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.798 -14.149 -12.437 1.00 0.00 N ATOM 755 NH2 ARG A 133 15.931 -13.154 -14.511 1.00 0.00 N ATOM 0 H ARG A 133 20.014 -11.875 -7.569 1.00 0.00 H new ATOM 0 HA ARG A 133 18.984 -13.744 -9.225 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.310 -11.243 -9.613 1.00 0.00 H new ATOM 0 HB3 ARG A 133 20.975 -11.573 -10.049 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.768 -11.504 -12.133 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.082 -13.202 -11.833 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.813 -13.561 -11.004 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.485 -11.839 -10.979 1.00 0.00 H new ATOM 0 HE ARG A 133 18.102 -12.230 -13.627 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.169 -14.293 -11.498 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.947 -14.630 -12.729 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.406 -12.532 -15.165 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.080 -13.639 -14.795 1.00 0.00 H new ATOM 769 N TRP A 134 22.285 -13.964 -9.273 1.00 0.00 N ATOM 770 CA TRP A 134 23.383 -14.812 -9.671 1.00 0.00 C ATOM 771 C TRP A 134 23.372 -16.143 -8.909 1.00 0.00 C ATOM 772 O TRP A 134 23.214 -17.201 -9.517 1.00 0.00 O ATOM 773 CB TRP A 134 24.708 -14.076 -9.465 1.00 0.00 C ATOM 774 CG TRP A 134 25.794 -14.615 -10.321 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.811 -15.394 -9.921 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.957 -14.461 -11.753 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.597 -15.755 -10.988 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.103 -15.209 -12.162 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.246 -13.771 -12.760 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.500 -15.283 -13.498 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.648 -13.836 -14.093 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.755 -14.603 -14.469 1.00 0.00 C ATOM 0 H TRP A 134 22.561 -13.145 -8.731 1.00 0.00 H new ATOM 0 HA TRP A 134 23.268 -15.046 -10.729 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.570 -13.017 -9.682 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.003 -14.151 -8.418 1.00 0.00 H new ATOM 0 HD1 TRP A 134 26.987 -15.696 -8.899 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.428 -16.343 -10.925 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.379 -13.185 -12.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.370 -15.857 -13.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 25.098 -13.288 -14.844 1.00 0.00 H new ATOM 0 HH2 TRP A 134 27.036 -14.671 -15.510 1.00 0.00 H new ATOM 793 N HIS A 135 23.554 -16.098 -7.582 1.00 0.00 N ATOM 794 CA HIS A 135 23.651 -17.309 -6.770 1.00 0.00 C ATOM 795 C HIS A 135 22.271 -17.914 -6.471 1.00 0.00 C ATOM 796 O HIS A 135 22.031 -18.393 -5.364 1.00 0.00 O ATOM 797 CB HIS A 135 24.404 -16.981 -5.479 1.00 0.00 C ATOM 798 CG HIS A 135 25.850 -16.643 -5.734 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.741 -17.547 -6.304 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.591 -15.512 -5.512 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.931 -16.921 -6.385 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.910 -15.672 -5.915 1.00 0.00 N ATOM 0 H HIS A 135 23.637 -15.231 -7.051 1.00 0.00 H new ATOM 0 HA HIS A 135 24.201 -18.064 -7.332 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.919 -16.142 -4.981 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.346 -17.832 -4.800 1.00 0.00 H new ATOM 0 HD1 HIS A 135 26.533 -18.500 -6.603 1.00 0.00 H new ATOM 0 HD2 HIS A 135 26.197 -14.606 -5.076 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.817 -17.385 -6.791 1.00 0.00 H new ATOM 810 N ASN A 136 21.378 -17.910 -7.467 1.00 0.00 N ATOM 811 CA ASN A 136 20.060 -18.529 -7.355 1.00 0.00 C ATOM 812 C ASN A 136 19.786 -19.286 -8.627 1.00 0.00 C ATOM 813 O ASN A 136 19.543 -20.490 -8.606 1.00 0.00 O ATOM 814 CB ASN A 136 18.967 -17.473 -7.158 1.00 0.00 C ATOM 815 CG ASN A 136 18.825 -17.102 -5.699 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.813 -17.400 -5.071 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.839 -16.456 -5.161 1.00 0.00 N ATOM 0 H ASN A 136 21.553 -17.476 -8.373 1.00 0.00 H new ATOM 0 HA ASN A 136 20.052 -19.194 -6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.207 -16.584 -7.741 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.017 -17.854 -7.534 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.805 -16.180 -4.180 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.658 -16.232 -5.726 1.00 0.00 H new ATOM 824 N HIS A 137 19.815 -18.559 -9.739 1.00 0.00 N ATOM 825 CA HIS A 137 19.525 -19.144 -11.041 1.00 0.00 C ATOM 826 C HIS A 137 20.232 -18.391 -12.177 1.00 0.00 C ATOM 827 O HIS A 137 19.585 -17.975 -13.136 1.00 0.00 O ATOM 828 CB HIS A 137 18.000 -19.148 -11.239 1.00 0.00 C ATOM 829 CG HIS A 137 17.341 -17.883 -10.748 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.270 -17.894 -9.861 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.582 -16.553 -10.991 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.940 -16.608 -9.632 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.703 -15.737 -10.293 1.00 0.00 N ATOM 0 H HIS A 137 20.037 -17.564 -9.764 1.00 0.00 H new ATOM 0 HA HIS A 137 19.906 -20.165 -11.070 1.00 0.00 H new ATOM 0 HB2 HIS A 137 17.776 -19.281 -12.298 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.573 -20.002 -10.713 1.00 0.00 H new ATOM 0 HD1 HIS A 137 15.821 -18.718 -9.461 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.360 -16.187 -11.645 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.135 -16.311 -8.976 1.00 0.00 H new ATOM 841 N LEU A 138 21.563 -18.233 -12.088 1.00 0.00 N ATOM 842 CA LEU A 138 22.327 -17.600 -13.160 1.00 0.00 C ATOM 843 C LEU A 138 23.826 -17.770 -12.918 1.00 0.00 C ATOM 844 O LEU A 138 24.407 -17.081 -12.084 1.00 0.00 O ATOM 845 CB LEU A 138 21.963 -16.105 -13.269 1.00 0.00 C ATOM 846 CG LEU A 138 21.746 -15.708 -14.742 1.00 0.00 C ATOM 847 CD1 LEU A 138 20.358 -15.104 -14.908 1.00 0.00 C ATOM 848 CD2 LEU A 138 22.785 -14.675 -15.155 1.00 0.00 C ATOM 0 H LEU A 138 22.122 -18.534 -11.290 1.00 0.00 H new ATOM 0 HA LEU A 138 22.073 -18.087 -14.102 1.00 0.00 H new ATOM 0 HB2 LEU A 138 21.059 -15.902 -12.695 1.00 0.00 H new ATOM 0 HB3 LEU A 138 22.759 -15.499 -12.836 1.00 0.00 H new ATOM 0 HG LEU A 138 21.842 -16.596 -15.367 1.00 0.00 H new ATOM 0 HD11 LEU A 138 20.206 -14.824 -15.950 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.605 -15.836 -14.615 1.00 0.00 H new ATOM 0 HD13 LEU A 138 20.268 -14.219 -14.277 1.00 0.00 H new ATOM 0 HD21 LEU A 138 22.628 -14.397 -16.197 1.00 0.00 H new ATOM 0 HD22 LEU A 138 22.689 -13.790 -14.525 1.00 0.00 H new ATOM 0 HD23 LEU A 138 23.783 -15.097 -15.039 1.00 0.00 H new