USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 381 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 22 THR OG1 : rot 150:sc= 2.33 USER MOD Set 1.2: A 24 CYS SG : rot 94:sc= 3.17 USER MOD Set 1.3: A 26 HIS :FLIP no HD1:sc= -1.98! C(o=-0.89!,f=4.2!) USER MOD Set 1.4: A 44 CYS SG : rot -150:sc= 0.652 USER MOD Set 2.1: A 9 CYS SG : rot -155:sc= 0.0935 USER MOD Set 2.2: A 12 CYS SG : rot -67:sc= -0.567 USER MOD Set 2.3: A 29 CYS SG : rot 180:sc= 0.088 USER MOD Set 2.4: A 32 CYS SG : rot 124:sc= -0.414 USER MOD Single : A 14 MET CE :methyl 140:sc= -0.57 (180deg=-1.3) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 30 LYS NZ :NH3+ 134:sc= 1.26 (180deg=-0.0335) USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= -0.139 (180deg=-0.561) USER MOD Single : A 36 SER OG : rot 130:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 1.25 K(o=1.2,f=-5.3!) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= -0.0267 (180deg=-0.176) USER MOD Single : A 48 ASN : amide:sc= -0.0907 X(o=-0.091,f=-0.047) USER MOD Single : A 54 ASN : amide:sc= -0.0307 K(o=-0.031,f=-0.62) USER MOD Single : A 55 GLN : amide:sc= -1.32 K(o=-1.3,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 14.359 -18.842 -15.920 1.00 0.00 N ATOM 105 CA GLU A 8 13.263 -19.573 -16.486 1.00 0.00 C ATOM 106 C GLU A 8 12.132 -18.600 -16.803 1.00 0.00 C ATOM 107 O GLU A 8 11.774 -17.780 -15.957 1.00 0.00 O ATOM 108 CB GLU A 8 12.782 -20.550 -15.423 1.00 0.00 C ATOM 109 CG GLU A 8 11.623 -21.437 -15.820 1.00 0.00 C ATOM 110 CD GLU A 8 11.161 -22.282 -14.660 1.00 0.00 C ATOM 111 OE1 GLU A 8 10.464 -21.736 -13.772 1.00 0.00 O ATOM 112 OE2 GLU A 8 11.491 -23.471 -14.601 1.00 0.00 O ATOM 0 HA GLU A 8 13.564 -20.093 -17.396 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.619 -21.186 -15.135 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.494 -19.982 -14.538 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.797 -20.822 -16.177 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.921 -22.082 -16.647 1.00 0.00 H new ATOM 119 N CYS A 9 11.587 -18.686 -18.003 1.00 0.00 N ATOM 120 CA CYS A 9 10.424 -17.905 -18.391 1.00 0.00 C ATOM 121 C CYS A 9 9.206 -18.404 -17.619 1.00 0.00 C ATOM 122 O CYS A 9 8.767 -19.537 -17.817 1.00 0.00 O ATOM 123 CB CYS A 9 10.207 -18.060 -19.896 1.00 0.00 C ATOM 124 SG CYS A 9 8.682 -17.337 -20.586 1.00 0.00 S ATOM 0 H CYS A 9 11.938 -19.300 -18.738 1.00 0.00 H new ATOM 0 HA CYS A 9 10.577 -16.851 -18.160 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.058 -17.612 -20.410 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.216 -19.124 -20.133 1.00 0.00 H new ATOM 0 HG CYS A 9 8.364 -17.959 -21.682 1.00 0.00 H new ATOM 129 N PRO A 10 8.646 -17.569 -16.728 1.00 0.00 N ATOM 130 CA PRO A 10 7.539 -17.962 -15.840 1.00 0.00 C ATOM 131 C PRO A 10 6.254 -18.252 -16.611 1.00 0.00 C ATOM 132 O PRO A 10 5.332 -18.860 -16.079 1.00 0.00 O ATOM 133 CB PRO A 10 7.362 -16.744 -14.928 1.00 0.00 C ATOM 134 CG PRO A 10 7.892 -15.611 -15.721 1.00 0.00 C ATOM 135 CD PRO A 10 9.043 -16.168 -16.504 1.00 0.00 C ATOM 0 HA PRO A 10 7.756 -18.883 -15.299 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.315 -16.591 -14.668 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.909 -16.865 -13.993 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.128 -15.205 -16.384 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.217 -14.797 -15.073 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.187 -15.635 -17.444 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.979 -16.098 -15.950 1.00 0.00 H new ATOM 143 N ILE A 11 6.181 -17.774 -17.842 1.00 0.00 N ATOM 144 CA ILE A 11 5.037 -18.029 -18.692 1.00 0.00 C ATOM 145 C ILE A 11 4.940 -19.517 -19.058 1.00 0.00 C ATOM 146 O ILE A 11 3.865 -20.119 -18.999 1.00 0.00 O ATOM 147 CB ILE A 11 5.077 -17.162 -19.979 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.897 -15.684 -19.612 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.998 -17.604 -20.975 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.082 -14.738 -20.776 1.00 0.00 C ATOM 0 H ILE A 11 6.908 -17.204 -18.275 1.00 0.00 H new ATOM 0 HA ILE A 11 4.148 -17.752 -18.125 1.00 0.00 H new ATOM 0 HB ILE A 11 6.047 -17.296 -20.459 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.900 -15.542 -19.196 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.609 -15.425 -18.829 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.049 -16.980 -21.867 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.162 -18.646 -21.251 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.015 -17.501 -20.516 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.939 -13.712 -20.437 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.088 -14.850 -21.179 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.352 -14.969 -21.552 1.00 0.00 H new ATOM 162 N CYS A 12 6.077 -20.112 -19.416 1.00 0.00 N ATOM 163 CA CYS A 12 6.093 -21.493 -19.869 1.00 0.00 C ATOM 164 C CYS A 12 6.651 -22.435 -18.813 1.00 0.00 C ATOM 165 O CYS A 12 6.402 -23.647 -18.860 1.00 0.00 O ATOM 166 CB CYS A 12 6.895 -21.615 -21.162 1.00 0.00 C ATOM 167 SG CYS A 12 8.609 -21.010 -21.053 1.00 0.00 S ATOM 0 H CYS A 12 6.991 -19.659 -19.400 1.00 0.00 H new ATOM 0 HA CYS A 12 5.060 -21.787 -20.055 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.912 -22.662 -21.466 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.378 -21.063 -21.948 1.00 0.00 H new ATOM 0 HG CYS A 12 8.604 -19.723 -20.870 1.00 0.00 H new ATOM 172 N LEU A 13 7.409 -21.878 -17.874 1.00 0.00 N ATOM 173 CA LEU A 13 8.078 -22.642 -16.802 1.00 0.00 C ATOM 174 C LEU A 13 9.099 -23.620 -17.367 1.00 0.00 C ATOM 175 O LEU A 13 9.450 -24.613 -16.717 1.00 0.00 O ATOM 176 CB LEU A 13 7.070 -23.398 -15.911 1.00 0.00 C ATOM 177 CG LEU A 13 6.194 -22.561 -14.965 1.00 0.00 C ATOM 178 CD1 LEU A 13 5.035 -21.918 -15.704 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.694 -23.415 -13.818 1.00 0.00 C ATOM 0 H LEU A 13 7.584 -20.874 -17.827 1.00 0.00 H new ATOM 0 HA LEU A 13 8.597 -21.910 -16.183 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.410 -23.972 -16.562 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.626 -24.116 -15.308 1.00 0.00 H new ATOM 0 HG LEU A 13 6.809 -21.757 -14.560 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.437 -21.334 -15.005 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.420 -21.264 -16.486 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.414 -22.694 -16.153 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.075 -22.809 -13.156 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.103 -24.242 -14.211 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.544 -23.809 -13.260 1.00 0.00 H new ATOM 191 N MET A 14 9.586 -23.357 -18.565 1.00 0.00 N ATOM 192 CA MET A 14 10.568 -24.232 -19.170 1.00 0.00 C ATOM 193 C MET A 14 11.978 -23.656 -19.121 1.00 0.00 C ATOM 194 O MET A 14 12.848 -24.171 -18.403 1.00 0.00 O ATOM 195 CB MET A 14 10.191 -24.630 -20.597 1.00 0.00 C ATOM 196 CG MET A 14 8.932 -25.492 -20.683 1.00 0.00 C ATOM 197 SD MET A 14 8.580 -26.094 -22.356 1.00 0.00 S ATOM 198 CE MET A 14 8.141 -24.569 -23.195 1.00 0.00 C ATOM 0 H MET A 14 9.320 -22.552 -19.133 1.00 0.00 H new ATOM 0 HA MET A 14 10.568 -25.138 -18.564 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.043 -23.727 -21.189 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.023 -25.173 -21.045 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.039 -26.345 -20.014 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.080 -24.913 -20.327 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.568 -24.570 -24.198 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.056 -24.490 -23.262 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.533 -23.720 -22.635 1.00 0.00 H new ATOM 208 N ALA A 15 12.203 -22.587 -19.869 1.00 0.00 N ATOM 209 CA ALA A 15 13.532 -22.006 -20.008 1.00 0.00 C ATOM 210 C ALA A 15 13.429 -20.617 -20.619 1.00 0.00 C ATOM 211 O ALA A 15 12.355 -20.048 -20.665 1.00 0.00 O ATOM 212 CB ALA A 15 14.399 -22.902 -20.888 1.00 0.00 C ATOM 0 H ALA A 15 11.477 -22.100 -20.394 1.00 0.00 H new ATOM 0 HA ALA A 15 13.991 -21.925 -19.023 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.391 -22.463 -20.988 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.483 -23.888 -20.432 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.942 -22.996 -21.873 1.00 0.00 H new ATOM 218 N LEU A 16 14.559 -20.067 -21.047 1.00 0.00 N ATOM 219 CA LEU A 16 14.577 -18.811 -21.789 1.00 0.00 C ATOM 220 C LEU A 16 15.061 -19.061 -23.212 1.00 0.00 C ATOM 221 O LEU A 16 16.057 -19.747 -23.411 1.00 0.00 O ATOM 222 CB LEU A 16 15.482 -17.778 -21.100 1.00 0.00 C ATOM 223 CG LEU A 16 15.053 -17.338 -19.696 1.00 0.00 C ATOM 224 CD1 LEU A 16 16.057 -16.367 -19.080 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.674 -16.712 -19.734 1.00 0.00 C ATOM 0 H LEU A 16 15.481 -20.474 -20.892 1.00 0.00 H new ATOM 0 HA LEU A 16 13.563 -18.411 -21.815 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.489 -18.191 -21.038 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.539 -16.894 -21.735 1.00 0.00 H new ATOM 0 HG LEU A 16 15.021 -18.228 -19.068 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.719 -16.077 -18.085 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.032 -16.850 -19.006 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.138 -15.480 -19.708 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.386 -16.406 -18.728 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.688 -15.841 -20.389 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.955 -17.439 -20.112 1.00 0.00 H new ATOM 237 N ARG A 17 14.338 -18.518 -24.198 1.00 0.00 N ATOM 238 CA ARG A 17 14.706 -18.678 -25.620 1.00 0.00 C ATOM 239 C ARG A 17 15.989 -17.899 -25.915 1.00 0.00 C ATOM 240 O ARG A 17 17.065 -18.476 -26.011 1.00 0.00 O ATOM 241 CB ARG A 17 13.561 -18.179 -26.516 1.00 0.00 C ATOM 242 CG ARG A 17 13.699 -18.490 -28.004 1.00 0.00 C ATOM 243 CD ARG A 17 13.631 -19.979 -28.243 1.00 0.00 C ATOM 244 NE ARG A 17 13.596 -20.314 -29.656 1.00 0.00 N ATOM 245 CZ ARG A 17 13.580 -21.555 -30.117 1.00 0.00 C ATOM 246 NH1 ARG A 17 13.647 -22.587 -29.275 1.00 0.00 N ATOM 247 NH2 ARG A 17 13.502 -21.773 -31.414 1.00 0.00 N ATOM 0 H ARG A 17 13.496 -17.964 -24.044 1.00 0.00 H new ATOM 0 HA ARG A 17 14.880 -19.734 -25.829 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.628 -18.615 -26.158 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.475 -17.099 -26.396 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.906 -17.990 -28.561 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.646 -18.099 -28.377 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.494 -20.458 -27.781 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.743 -20.382 -27.755 1.00 0.00 H new ATOM 0 HE ARG A 17 13.583 -19.550 -30.331 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.711 -22.422 -28.270 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.634 -23.541 -29.636 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.454 -20.986 -32.061 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.490 -22.729 -31.771 1.00 0.00 H new ATOM 261 N GLU A 18 15.856 -16.586 -26.049 1.00 0.00 N ATOM 262 CA GLU A 18 17.010 -15.693 -26.151 1.00 0.00 C ATOM 263 C GLU A 18 17.107 -14.841 -24.898 1.00 0.00 C ATOM 264 O GLU A 18 17.943 -13.944 -24.807 1.00 0.00 O ATOM 265 CB GLU A 18 16.942 -14.800 -27.406 1.00 0.00 C ATOM 266 CG GLU A 18 17.123 -15.553 -28.723 1.00 0.00 C ATOM 267 CD GLU A 18 17.091 -14.638 -29.927 1.00 0.00 C ATOM 268 OE1 GLU A 18 17.934 -13.721 -30.017 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.227 -14.815 -30.795 1.00 0.00 O ATOM 0 H GLU A 18 14.955 -16.110 -26.090 1.00 0.00 H new ATOM 0 HA GLU A 18 17.904 -16.309 -26.245 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.979 -14.289 -27.422 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.710 -14.030 -27.332 1.00 0.00 H new ATOM 0 HG2 GLU A 18 18.072 -16.088 -28.703 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.337 -16.302 -28.820 1.00 0.00 H new ATOM 276 N ALA A 19 16.229 -15.142 -23.930 1.00 0.00 N ATOM 277 CA ALA A 19 16.153 -14.424 -22.658 1.00 0.00 C ATOM 278 C ALA A 19 15.932 -12.935 -22.868 1.00 0.00 C ATOM 279 O ALA A 19 16.862 -12.160 -22.817 1.00 0.00 O ATOM 280 CB ALA A 19 17.411 -14.650 -21.823 1.00 0.00 C ATOM 0 H ALA A 19 15.548 -15.897 -24.013 1.00 0.00 H new ATOM 0 HA ALA A 19 15.295 -14.824 -22.117 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.327 -14.104 -20.883 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.524 -15.714 -21.616 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.282 -14.293 -22.373 1.00 0.00 H new ATOM 286 N VAL A 20 14.704 -12.538 -23.111 1.00 0.00 N ATOM 287 CA VAL A 20 14.435 -11.138 -23.343 1.00 0.00 C ATOM 288 C VAL A 20 14.098 -10.429 -22.038 1.00 0.00 C ATOM 289 O VAL A 20 13.136 -10.767 -21.354 1.00 0.00 O ATOM 290 CB VAL A 20 13.335 -10.894 -24.412 1.00 0.00 C ATOM 291 CG1 VAL A 20 13.806 -11.341 -25.790 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.040 -11.603 -24.052 1.00 0.00 C ATOM 0 H VAL A 20 13.890 -13.151 -23.153 1.00 0.00 H new ATOM 0 HA VAL A 20 15.352 -10.710 -23.749 1.00 0.00 H new ATOM 0 HB VAL A 20 13.142 -9.822 -24.436 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.018 -11.160 -26.521 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.697 -10.779 -26.070 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.041 -12.405 -25.767 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.293 -11.410 -24.822 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.220 -12.676 -23.982 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.677 -11.233 -23.093 1.00 0.00 H new ATOM 302 N GLN A 21 14.952 -9.488 -21.672 1.00 0.00 N ATOM 303 CA GLN A 21 14.778 -8.709 -20.476 1.00 0.00 C ATOM 304 C GLN A 21 13.792 -7.579 -20.712 1.00 0.00 C ATOM 305 O GLN A 21 13.908 -6.824 -21.688 1.00 0.00 O ATOM 306 CB GLN A 21 16.120 -8.139 -20.004 1.00 0.00 C ATOM 307 CG GLN A 21 16.032 -7.375 -18.698 1.00 0.00 C ATOM 308 CD GLN A 21 17.368 -6.782 -18.281 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.433 -7.310 -18.602 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.315 -5.685 -17.558 1.00 0.00 N ATOM 0 H GLN A 21 15.788 -9.248 -22.205 1.00 0.00 H new ATOM 0 HA GLN A 21 14.382 -9.365 -19.701 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.832 -8.957 -19.889 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.515 -7.478 -20.775 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.298 -6.575 -18.797 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.673 -8.042 -17.914 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.412 -5.279 -17.313 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.177 -5.240 -17.242 1.00 0.00 H new ATOM 319 N THR A 22 12.828 -7.460 -19.832 1.00 0.00 N ATOM 320 CA THR A 22 11.869 -6.393 -19.891 1.00 0.00 C ATOM 321 C THR A 22 12.401 -5.204 -19.091 1.00 0.00 C ATOM 322 O THR A 22 13.222 -5.392 -18.187 1.00 0.00 O ATOM 323 CB THR A 22 10.519 -6.841 -19.292 1.00 0.00 C ATOM 324 OG1 THR A 22 10.704 -7.216 -17.917 1.00 0.00 O ATOM 325 CG2 THR A 22 9.957 -8.033 -20.058 1.00 0.00 C ATOM 0 H THR A 22 12.689 -8.104 -19.054 1.00 0.00 H new ATOM 0 HA THR A 22 11.715 -6.113 -20.933 1.00 0.00 H new ATOM 0 HB THR A 22 9.818 -6.010 -19.365 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.879 -7.044 -17.417 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.005 -8.332 -19.619 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.804 -7.756 -21.101 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.659 -8.865 -20.003 1.00 0.00 H new ATOM 333 N PRO A 23 11.947 -3.972 -19.392 1.00 0.00 N ATOM 334 CA PRO A 23 12.366 -2.769 -18.658 1.00 0.00 C ATOM 335 C PRO A 23 11.974 -2.813 -17.168 1.00 0.00 C ATOM 336 O PRO A 23 12.588 -2.139 -16.343 1.00 0.00 O ATOM 337 CB PRO A 23 11.633 -1.632 -19.384 1.00 0.00 C ATOM 338 CG PRO A 23 10.499 -2.304 -20.072 1.00 0.00 C ATOM 339 CD PRO A 23 11.028 -3.638 -20.496 1.00 0.00 C ATOM 0 HA PRO A 23 13.450 -2.656 -18.652 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.281 -0.875 -18.683 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.287 -1.128 -20.095 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.644 -2.414 -19.405 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.161 -1.724 -20.931 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.233 -4.376 -20.602 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.545 -3.586 -21.454 1.00 0.00 H new ATOM 347 N CYS A 24 10.964 -3.604 -16.833 1.00 0.00 N ATOM 348 CA CYS A 24 10.567 -3.775 -15.443 1.00 0.00 C ATOM 349 C CYS A 24 11.509 -4.729 -14.697 1.00 0.00 C ATOM 350 O CYS A 24 11.576 -4.704 -13.475 1.00 0.00 O ATOM 351 CB CYS A 24 9.122 -4.248 -15.350 1.00 0.00 C ATOM 352 SG CYS A 24 8.723 -5.612 -16.473 1.00 0.00 S ATOM 0 H CYS A 24 10.407 -4.135 -17.502 1.00 0.00 H new ATOM 0 HA CYS A 24 10.641 -2.802 -14.956 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.918 -4.562 -14.326 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.461 -3.409 -15.564 1.00 0.00 H new ATOM 0 HG CYS A 24 8.872 -6.744 -15.851 1.00 0.00 H new ATOM 357 N GLY A 25 12.232 -5.544 -15.443 1.00 0.00 N ATOM 358 CA GLY A 25 13.209 -6.419 -14.828 1.00 0.00 C ATOM 359 C GLY A 25 12.795 -7.879 -14.785 1.00 0.00 C ATOM 360 O GLY A 25 13.022 -8.562 -13.787 1.00 0.00 O ATOM 0 H GLY A 25 12.163 -5.618 -16.458 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.149 -6.335 -15.373 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.398 -6.076 -13.811 1.00 0.00 H new ATOM 364 N HIS A 26 12.180 -8.362 -15.843 1.00 0.00 N ATOM 365 CA HIS A 26 11.863 -9.787 -15.949 1.00 0.00 C ATOM 366 C HIS A 26 12.511 -10.317 -17.205 1.00 0.00 C ATOM 367 O HIS A 26 12.767 -9.555 -18.128 1.00 0.00 O ATOM 368 CB HIS A 26 10.359 -10.044 -16.055 1.00 0.00 C ATOM 369 CG HIS A 26 9.520 -9.431 -14.999 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.679 -8.392 -15.073 1.00 0.00 N flip ATOM 371 CD2 HIS A 26 9.480 -9.865 -13.689 1.00 0.00 C flip ATOM 372 CE1 HIS A 26 8.132 -8.206 -13.846 1.00 0.00 C flip ATOM 373 NE2 HIS A 26 8.634 -9.103 -13.014 1.00 0.00 N flip ATOM 0 H HIS A 26 11.887 -7.800 -16.642 1.00 0.00 H new ATOM 0 HA HIS A 26 12.229 -10.280 -15.049 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.015 -9.678 -17.023 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.193 -11.121 -16.044 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.046 -10.690 -13.282 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.405 -7.449 -13.590 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.408 -9.192 -12.023 1.00 0.00 H new ATOM 380 N ARG A 27 12.781 -11.594 -17.250 1.00 0.00 N ATOM 381 CA ARG A 27 13.352 -12.181 -18.449 1.00 0.00 C ATOM 382 C ARG A 27 12.482 -13.332 -18.937 1.00 0.00 C ATOM 383 O ARG A 27 12.091 -14.203 -18.154 1.00 0.00 O ATOM 384 CB ARG A 27 14.822 -12.593 -18.210 1.00 0.00 C ATOM 385 CG ARG A 27 15.724 -11.376 -17.975 1.00 0.00 C ATOM 386 CD ARG A 27 17.163 -11.732 -17.632 1.00 0.00 C ATOM 387 NE ARG A 27 17.278 -12.335 -16.304 1.00 0.00 N ATOM 388 CZ ARG A 27 18.431 -12.696 -15.719 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.601 -12.461 -16.317 1.00 0.00 N ATOM 390 NH2 ARG A 27 18.417 -13.232 -14.515 1.00 0.00 N ATOM 0 H ARG A 27 12.620 -12.248 -16.484 1.00 0.00 H new ATOM 0 HA ARG A 27 13.368 -11.436 -19.245 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.877 -13.258 -17.348 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.186 -13.155 -19.070 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.718 -10.753 -18.870 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.306 -10.777 -17.166 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.553 -12.423 -18.379 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.779 -10.834 -17.677 1.00 0.00 H new ATOM 0 HE ARG A 27 16.416 -12.493 -15.783 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.625 -12.003 -17.228 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.471 -12.740 -15.863 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.531 -13.372 -14.029 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.292 -13.507 -14.069 1.00 0.00 H new ATOM 404 N PHE A 28 12.166 -13.323 -20.229 1.00 0.00 N ATOM 405 CA PHE A 28 11.199 -14.256 -20.819 1.00 0.00 C ATOM 406 C PHE A 28 11.735 -14.846 -22.111 1.00 0.00 C ATOM 407 O PHE A 28 12.792 -14.443 -22.602 1.00 0.00 O ATOM 408 CB PHE A 28 9.889 -13.543 -21.158 1.00 0.00 C ATOM 409 CG PHE A 28 9.115 -12.977 -20.008 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.217 -13.756 -19.310 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.265 -11.651 -19.650 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.484 -13.223 -18.268 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.534 -11.117 -18.620 1.00 0.00 C ATOM 414 CZ PHE A 28 7.641 -11.901 -17.922 1.00 0.00 C ATOM 0 H PHE A 28 12.571 -12.670 -20.900 1.00 0.00 H new ATOM 0 HA PHE A 28 11.028 -15.040 -20.082 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.113 -12.731 -21.850 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.246 -14.246 -21.688 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.085 -14.793 -19.581 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.965 -11.029 -20.187 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.787 -13.844 -17.725 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.659 -10.078 -18.355 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.068 -11.480 -17.109 1.00 0.00 H new ATOM 424 N CYS A 29 11.008 -15.808 -22.648 1.00 0.00 N ATOM 425 CA CYS A 29 11.281 -16.293 -23.981 1.00 0.00 C ATOM 426 C CYS A 29 10.860 -15.252 -25.001 1.00 0.00 C ATOM 427 O CYS A 29 10.027 -14.387 -24.724 1.00 0.00 O ATOM 428 CB CYS A 29 10.530 -17.578 -24.257 1.00 0.00 C ATOM 429 SG CYS A 29 10.876 -18.914 -23.090 1.00 0.00 S ATOM 0 H CYS A 29 10.226 -16.266 -22.180 1.00 0.00 H new ATOM 0 HA CYS A 29 12.351 -16.485 -24.057 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.460 -17.369 -24.244 1.00 0.00 H new ATOM 0 HB3 CYS A 29 10.776 -17.919 -25.263 1.00 0.00 H new ATOM 0 HG CYS A 29 10.182 -19.964 -23.415 1.00 0.00 H new ATOM 434 N LYS A 30 11.404 -15.372 -26.182 1.00 0.00 N ATOM 435 CA LYS A 30 11.183 -14.416 -27.250 1.00 0.00 C ATOM 436 C LYS A 30 9.864 -14.708 -27.987 1.00 0.00 C ATOM 437 O LYS A 30 9.468 -13.999 -28.906 1.00 0.00 O ATOM 438 CB LYS A 30 12.407 -14.417 -28.175 1.00 0.00 C ATOM 439 CG LYS A 30 12.393 -13.403 -29.295 1.00 0.00 C ATOM 440 CD LYS A 30 13.706 -13.448 -30.031 1.00 0.00 C ATOM 441 CE LYS A 30 13.783 -12.444 -31.157 1.00 0.00 C ATOM 442 NZ LYS A 30 15.124 -12.460 -31.783 1.00 0.00 N ATOM 0 H LYS A 30 12.021 -16.142 -26.439 1.00 0.00 H new ATOM 0 HA LYS A 30 11.073 -13.411 -26.842 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.296 -14.246 -27.568 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.506 -15.410 -28.612 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.572 -13.614 -29.981 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.223 -12.404 -28.893 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.518 -13.261 -29.328 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.857 -14.450 -30.433 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.024 -12.671 -31.906 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.566 -11.446 -30.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.024 -12.470 -32.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.652 -11.612 -31.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.640 -13.310 -31.477 1.00 0.00 H new ATOM 456 N ALA A 31 9.184 -15.752 -27.562 1.00 0.00 N ATOM 457 CA ALA A 31 7.894 -16.060 -28.124 1.00 0.00 C ATOM 458 C ALA A 31 6.813 -15.926 -27.067 1.00 0.00 C ATOM 459 O ALA A 31 5.754 -15.381 -27.332 1.00 0.00 O ATOM 460 CB ALA A 31 7.884 -17.462 -28.701 1.00 0.00 C ATOM 0 H ALA A 31 9.502 -16.394 -26.836 1.00 0.00 H new ATOM 0 HA ALA A 31 7.693 -15.351 -28.927 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.901 -17.676 -29.121 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.638 -17.538 -29.485 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.106 -18.181 -27.913 1.00 0.00 H new ATOM 466 N CYS A 32 7.108 -16.371 -25.849 1.00 0.00 N ATOM 467 CA CYS A 32 6.127 -16.349 -24.772 1.00 0.00 C ATOM 468 C CYS A 32 5.675 -14.922 -24.425 1.00 0.00 C ATOM 469 O CYS A 32 4.477 -14.648 -24.354 1.00 0.00 O ATOM 470 CB CYS A 32 6.683 -17.044 -23.527 1.00 0.00 C ATOM 471 SG CYS A 32 7.258 -18.755 -23.802 1.00 0.00 S ATOM 0 H CYS A 32 8.017 -16.750 -25.585 1.00 0.00 H new ATOM 0 HA CYS A 32 5.250 -16.891 -25.126 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.513 -16.454 -23.138 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.911 -17.054 -22.758 1.00 0.00 H new ATOM 0 HG CYS A 32 8.501 -18.859 -23.437 1.00 0.00 H new ATOM 476 N ILE A 33 6.629 -14.007 -24.213 1.00 0.00 N ATOM 477 CA ILE A 33 6.265 -12.634 -23.865 1.00 0.00 C ATOM 478 C ILE A 33 5.615 -11.905 -25.050 1.00 0.00 C ATOM 479 O ILE A 33 4.610 -11.219 -24.893 1.00 0.00 O ATOM 480 CB ILE A 33 7.471 -11.820 -23.305 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.012 -10.486 -22.720 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.545 -11.603 -24.358 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.136 -10.626 -21.491 1.00 0.00 C ATOM 0 H ILE A 33 7.631 -14.187 -24.275 1.00 0.00 H new ATOM 0 HA ILE A 33 5.528 -12.705 -23.065 1.00 0.00 H new ATOM 0 HB ILE A 33 7.911 -12.412 -22.503 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.889 -9.891 -22.464 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.465 -9.934 -23.484 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.367 -11.032 -23.927 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.916 -12.568 -24.704 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.124 -11.053 -25.200 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.850 -9.637 -21.133 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.240 -11.193 -21.745 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.687 -11.149 -20.709 1.00 0.00 H new ATOM 495 N ILE A 34 6.173 -12.094 -26.235 1.00 0.00 N ATOM 496 CA ILE A 34 5.691 -11.439 -27.426 1.00 0.00 C ATOM 497 C ILE A 34 4.272 -11.867 -27.764 1.00 0.00 C ATOM 498 O ILE A 34 3.418 -11.045 -28.054 1.00 0.00 O ATOM 499 CB ILE A 34 6.642 -11.582 -28.621 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.942 -10.802 -28.342 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.980 -11.098 -29.904 1.00 0.00 C ATOM 502 CD1 ILE A 34 9.032 -10.970 -29.377 1.00 0.00 C ATOM 0 H ILE A 34 6.973 -12.707 -26.391 1.00 0.00 H new ATOM 0 HA ILE A 34 5.664 -10.373 -27.200 1.00 0.00 H new ATOM 0 HB ILE A 34 6.885 -12.636 -28.756 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.700 -9.742 -28.262 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.332 -11.114 -27.373 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.675 -11.210 -30.736 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.085 -11.689 -30.097 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.706 -10.048 -29.798 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.902 -10.381 -29.088 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.311 -12.022 -29.444 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.669 -10.628 -30.346 1.00 0.00 H new ATOM 514 N LYS A 35 4.010 -13.156 -27.651 1.00 0.00 N ATOM 515 CA LYS A 35 2.733 -13.728 -28.058 1.00 0.00 C ATOM 516 C LYS A 35 1.668 -13.437 -26.977 1.00 0.00 C ATOM 517 O LYS A 35 0.496 -13.807 -27.107 1.00 0.00 O ATOM 518 CB LYS A 35 2.901 -15.243 -28.257 1.00 0.00 C ATOM 519 CG LYS A 35 1.720 -15.966 -28.884 1.00 0.00 C ATOM 520 CD LYS A 35 1.508 -15.548 -30.331 1.00 0.00 C ATOM 521 CE LYS A 35 0.536 -16.482 -31.034 1.00 0.00 C ATOM 522 NZ LYS A 35 1.067 -17.871 -31.114 1.00 0.00 N ATOM 0 H LYS A 35 4.671 -13.836 -27.276 1.00 0.00 H new ATOM 0 HA LYS A 35 2.406 -13.281 -28.997 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.779 -15.413 -28.881 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.107 -15.697 -27.287 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.885 -17.042 -28.837 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.818 -15.757 -28.309 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.126 -14.528 -30.366 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.463 -15.549 -30.857 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.415 -16.486 -30.501 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.336 -16.110 -32.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.594 -18.380 -31.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.091 -17.841 -31.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.888 -18.363 -30.216 1.00 0.00 H new ATOM 536 N SER A 36 2.088 -12.762 -25.926 1.00 0.00 N ATOM 537 CA SER A 36 1.181 -12.339 -24.884 1.00 0.00 C ATOM 538 C SER A 36 0.921 -10.823 -25.003 1.00 0.00 C ATOM 539 O SER A 36 -0.153 -10.338 -24.643 1.00 0.00 O ATOM 540 CB SER A 36 1.792 -12.676 -23.508 1.00 0.00 C ATOM 541 OG SER A 36 0.936 -12.305 -22.439 1.00 0.00 O ATOM 0 H SER A 36 3.060 -12.494 -25.773 1.00 0.00 H new ATOM 0 HA SER A 36 0.231 -12.863 -24.988 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.996 -13.745 -23.454 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.748 -12.164 -23.401 1.00 0.00 H new ATOM 0 HG SER A 36 0.833 -13.062 -21.825 1.00 0.00 H new ATOM 547 N ILE A 37 1.869 -10.093 -25.578 1.00 0.00 N ATOM 548 CA ILE A 37 1.738 -8.639 -25.662 1.00 0.00 C ATOM 549 C ILE A 37 1.360 -8.169 -27.057 1.00 0.00 C ATOM 550 O ILE A 37 0.952 -7.030 -27.236 1.00 0.00 O ATOM 551 CB ILE A 37 3.005 -7.890 -25.185 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.221 -8.299 -26.025 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.251 -8.146 -23.702 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.470 -7.493 -25.743 1.00 0.00 C ATOM 0 H ILE A 37 2.723 -10.472 -25.987 1.00 0.00 H new ATOM 0 HA ILE A 37 0.924 -8.391 -24.981 1.00 0.00 H new ATOM 0 HB ILE A 37 2.847 -6.820 -25.321 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.434 -9.353 -25.846 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.969 -8.200 -27.081 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.146 -7.611 -23.384 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.395 -7.796 -23.125 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.388 -9.214 -23.535 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.282 -7.846 -26.379 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.278 -6.440 -25.950 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.751 -7.611 -24.696 1.00 0.00 H new ATOM 566 N ARG A 38 1.478 -9.044 -28.048 1.00 0.00 N ATOM 567 CA ARG A 38 1.019 -8.689 -29.387 1.00 0.00 C ATOM 568 C ARG A 38 -0.406 -9.161 -29.574 1.00 0.00 C ATOM 569 O ARG A 38 -1.050 -8.852 -30.573 1.00 0.00 O ATOM 570 CB ARG A 38 1.901 -9.315 -30.488 1.00 0.00 C ATOM 571 CG ARG A 38 1.810 -10.835 -30.583 1.00 0.00 C ATOM 572 CD ARG A 38 2.617 -11.380 -31.755 1.00 0.00 C ATOM 573 NE ARG A 38 2.050 -10.958 -33.035 1.00 0.00 N ATOM 574 CZ ARG A 38 2.552 -11.259 -34.231 1.00 0.00 C ATOM 575 NH1 ARG A 38 3.671 -11.958 -34.336 1.00 0.00 N ATOM 576 NH2 ARG A 38 1.938 -10.833 -35.323 1.00 0.00 N ATOM 0 H ARG A 38 1.876 -9.979 -27.957 1.00 0.00 H new ATOM 0 HA ARG A 38 1.082 -7.605 -29.478 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.619 -8.886 -31.450 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.939 -9.036 -30.307 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.171 -11.279 -29.656 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.766 -11.130 -30.692 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.648 -11.035 -31.681 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.641 -12.469 -31.707 1.00 0.00 H new ATOM 0 HE ARG A 38 1.204 -10.389 -33.010 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.157 -12.271 -33.496 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.047 -12.183 -35.257 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.086 -10.278 -35.245 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.317 -11.060 -36.242 1.00 0.00 H new ATOM 590 N ASP A 39 -0.897 -9.900 -28.599 1.00 0.00 N ATOM 591 CA ASP A 39 -2.192 -10.533 -28.733 1.00 0.00 C ATOM 592 C ASP A 39 -3.204 -10.009 -27.738 1.00 0.00 C ATOM 593 O ASP A 39 -4.262 -9.521 -28.133 1.00 0.00 O ATOM 594 CB ASP A 39 -2.064 -12.048 -28.621 1.00 0.00 C ATOM 595 CG ASP A 39 -3.404 -12.746 -28.667 1.00 0.00 C ATOM 596 OD1 ASP A 39 -4.015 -12.811 -29.751 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.858 -13.245 -27.619 1.00 0.00 O ATOM 0 H ASP A 39 -0.423 -10.075 -27.713 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.565 -10.280 -29.725 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.437 -12.418 -29.433 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.559 -12.299 -27.688 1.00 0.00 H new ATOM 602 N ALA A 40 -2.883 -10.099 -26.460 1.00 0.00 N ATOM 603 CA ALA A 40 -3.798 -9.636 -25.427 1.00 0.00 C ATOM 604 C ALA A 40 -3.719 -8.129 -25.301 1.00 0.00 C ATOM 605 O ALA A 40 -4.679 -7.413 -25.610 1.00 0.00 O ATOM 606 CB ALA A 40 -3.483 -10.308 -24.101 1.00 0.00 C ATOM 0 H ALA A 40 -2.005 -10.484 -26.112 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.816 -9.905 -25.709 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.176 -9.951 -23.339 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.585 -11.388 -24.207 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.462 -10.067 -23.805 1.00 0.00 H new ATOM 612 N GLY A 41 -2.574 -7.656 -24.861 1.00 0.00 N ATOM 613 CA GLY A 41 -2.342 -6.248 -24.720 1.00 0.00 C ATOM 614 C GLY A 41 -0.896 -6.003 -24.413 1.00 0.00 C ATOM 615 O GLY A 41 -0.180 -6.938 -24.046 1.00 0.00 O ATOM 0 H GLY A 41 -1.783 -8.241 -24.593 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.622 -5.730 -25.637 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.966 -5.845 -23.923 1.00 0.00 H new ATOM 619 N HIS A 42 -0.450 -4.777 -24.538 1.00 0.00 N ATOM 620 CA HIS A 42 0.942 -4.465 -24.304 1.00 0.00 C ATOM 621 C HIS A 42 1.212 -4.159 -22.842 1.00 0.00 C ATOM 622 O HIS A 42 1.456 -3.007 -22.456 1.00 0.00 O ATOM 623 CB HIS A 42 1.431 -3.342 -25.224 1.00 0.00 C ATOM 624 CG HIS A 42 1.609 -3.763 -26.654 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.635 -3.609 -27.625 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.663 -4.330 -27.277 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.088 -4.074 -28.773 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.312 -4.520 -28.585 1.00 0.00 N ATOM 0 H HIS A 42 -1.028 -3.979 -24.800 1.00 0.00 H new ATOM 0 HA HIS A 42 1.519 -5.356 -24.553 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.720 -2.517 -25.184 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.380 -2.963 -24.846 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.610 -4.587 -26.826 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.547 -4.087 -29.708 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.904 -4.940 -29.301 1.00 0.00 H new ATOM 637 N LYS A 43 1.113 -5.185 -22.032 1.00 0.00 N ATOM 638 CA LYS A 43 1.454 -5.130 -20.628 1.00 0.00 C ATOM 639 C LYS A 43 2.004 -6.474 -20.195 1.00 0.00 C ATOM 640 O LYS A 43 1.707 -7.500 -20.830 1.00 0.00 O ATOM 641 CB LYS A 43 0.244 -4.730 -19.759 1.00 0.00 C ATOM 642 CG LYS A 43 -0.927 -5.704 -19.815 1.00 0.00 C ATOM 643 CD LYS A 43 -2.095 -5.235 -18.953 1.00 0.00 C ATOM 644 CE LYS A 43 -3.253 -6.226 -18.998 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.806 -6.385 -20.371 1.00 0.00 N ATOM 0 H LYS A 43 0.786 -6.102 -22.336 1.00 0.00 H new ATOM 0 HA LYS A 43 2.213 -4.361 -20.487 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.572 -4.636 -18.724 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.103 -3.746 -20.074 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.259 -5.815 -20.847 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.598 -6.687 -19.478 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.761 -5.109 -17.923 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.436 -4.259 -19.299 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.914 -7.195 -18.631 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.043 -5.889 -18.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.707 -6.902 -20.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.966 -5.447 -20.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.132 -6.917 -20.957 1.00 0.00 H new ATOM 659 N CYS A 44 2.816 -6.478 -19.158 1.00 0.00 N ATOM 660 CA CYS A 44 3.367 -7.709 -18.634 1.00 0.00 C ATOM 661 C CYS A 44 2.240 -8.615 -18.136 1.00 0.00 C ATOM 662 O CYS A 44 1.363 -8.166 -17.405 1.00 0.00 O ATOM 663 CB CYS A 44 4.294 -7.415 -17.471 1.00 0.00 C ATOM 664 SG CYS A 44 5.549 -6.133 -17.766 1.00 0.00 S ATOM 0 H CYS A 44 3.110 -5.638 -18.660 1.00 0.00 H new ATOM 0 HA CYS A 44 3.920 -8.203 -19.432 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.689 -7.115 -16.615 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.803 -8.338 -17.194 1.00 0.00 H new ATOM 0 HG CYS A 44 6.602 -6.383 -17.046 1.00 0.00 H new ATOM 669 N PRO A 45 2.249 -9.893 -18.521 1.00 0.00 N ATOM 670 CA PRO A 45 1.241 -10.853 -18.066 1.00 0.00 C ATOM 671 C PRO A 45 1.327 -11.083 -16.558 1.00 0.00 C ATOM 672 O PRO A 45 0.349 -11.469 -15.914 1.00 0.00 O ATOM 673 CB PRO A 45 1.596 -12.134 -18.837 1.00 0.00 C ATOM 674 CG PRO A 45 3.033 -11.979 -19.189 1.00 0.00 C ATOM 675 CD PRO A 45 3.232 -10.511 -19.424 1.00 0.00 C ATOM 0 HA PRO A 45 0.223 -10.510 -18.248 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.432 -13.022 -18.226 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.979 -12.242 -19.729 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.675 -12.338 -18.385 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.284 -12.556 -20.079 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.249 -10.199 -19.187 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.050 -10.241 -20.464 1.00 0.00 H new ATOM 683 N VAL A 46 2.502 -10.838 -16.004 1.00 0.00 N ATOM 684 CA VAL A 46 2.759 -11.051 -14.591 1.00 0.00 C ATOM 685 C VAL A 46 2.388 -9.807 -13.763 1.00 0.00 C ATOM 686 O VAL A 46 1.402 -9.810 -13.030 1.00 0.00 O ATOM 687 CB VAL A 46 4.254 -11.405 -14.345 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.515 -11.754 -12.885 1.00 0.00 C ATOM 689 CG2 VAL A 46 4.710 -12.535 -15.255 1.00 0.00 C ATOM 0 H VAL A 46 3.306 -10.485 -16.523 1.00 0.00 H new ATOM 0 HA VAL A 46 2.135 -11.886 -14.272 1.00 0.00 H new ATOM 0 HB VAL A 46 4.838 -10.517 -14.586 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.569 -11.996 -12.752 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.255 -10.903 -12.255 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.907 -12.613 -12.602 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.759 -12.759 -15.059 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.107 -13.423 -15.063 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.592 -12.234 -16.296 1.00 0.00 H new ATOM 699 N ASP A 47 3.176 -8.752 -13.919 1.00 0.00 N ATOM 700 CA ASP A 47 3.074 -7.538 -13.090 1.00 0.00 C ATOM 701 C ASP A 47 2.263 -6.425 -13.753 1.00 0.00 C ATOM 702 O ASP A 47 2.198 -5.316 -13.228 1.00 0.00 O ATOM 703 CB ASP A 47 4.474 -7.020 -12.729 1.00 0.00 C ATOM 704 CG ASP A 47 5.358 -6.786 -13.942 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.462 -7.657 -14.814 1.00 0.00 O ATOM 706 OD2 ASP A 47 5.997 -5.734 -14.047 1.00 0.00 O ATOM 0 H ASP A 47 3.911 -8.705 -14.625 1.00 0.00 H new ATOM 0 HA ASP A 47 2.539 -7.825 -12.185 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.377 -6.087 -12.173 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.960 -7.737 -12.067 1.00 0.00 H new ATOM 711 N ASN A 48 1.663 -6.726 -14.896 1.00 0.00 N ATOM 712 CA ASN A 48 0.725 -5.829 -15.641 1.00 0.00 C ATOM 713 C ASN A 48 1.283 -4.423 -15.969 1.00 0.00 C ATOM 714 O ASN A 48 0.524 -3.529 -16.341 1.00 0.00 O ATOM 715 CB ASN A 48 -0.680 -5.732 -14.974 1.00 0.00 C ATOM 716 CG ASN A 48 -0.748 -4.880 -13.699 1.00 0.00 C ATOM 717 OD1 ASN A 48 -0.911 -3.662 -13.755 1.00 0.00 O ATOM 718 ND2 ASN A 48 -0.645 -5.520 -12.555 1.00 0.00 N ATOM 0 H ASN A 48 1.805 -7.622 -15.363 1.00 0.00 H new ATOM 0 HA ASN A 48 0.610 -6.329 -16.603 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.381 -5.323 -15.702 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.020 -6.740 -14.735 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.700 -5.005 -11.676 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.510 -6.531 -12.547 1.00 0.00 H new ATOM 725 N GLU A 49 2.594 -4.246 -15.881 1.00 0.00 N ATOM 726 CA GLU A 49 3.212 -2.975 -16.243 1.00 0.00 C ATOM 727 C GLU A 49 3.144 -2.783 -17.744 1.00 0.00 C ATOM 728 O GLU A 49 3.133 -3.766 -18.489 1.00 0.00 O ATOM 729 CB GLU A 49 4.672 -2.935 -15.791 1.00 0.00 C ATOM 730 CG GLU A 49 4.860 -2.941 -14.292 1.00 0.00 C ATOM 731 CD GLU A 49 4.269 -1.730 -13.624 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.706 -0.597 -13.929 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.370 -1.890 -12.776 1.00 0.00 O ATOM 0 H GLU A 49 3.248 -4.961 -15.564 1.00 0.00 H new ATOM 0 HA GLU A 49 2.669 -2.173 -15.744 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.195 -3.793 -16.214 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.142 -2.041 -16.201 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.402 -3.839 -13.877 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.925 -2.992 -14.064 1.00 0.00 H new ATOM 740 N ILE A 50 3.099 -1.537 -18.196 1.00 0.00 N ATOM 741 CA ILE A 50 3.014 -1.262 -19.624 1.00 0.00 C ATOM 742 C ILE A 50 4.298 -1.713 -20.297 1.00 0.00 C ATOM 743 O ILE A 50 5.391 -1.245 -19.957 1.00 0.00 O ATOM 744 CB ILE A 50 2.778 0.245 -19.909 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.460 0.718 -19.280 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.786 0.520 -21.416 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.229 0.013 -19.806 1.00 0.00 C ATOM 0 H ILE A 50 3.120 -0.708 -17.602 1.00 0.00 H new ATOM 0 HA ILE A 50 2.162 -1.812 -20.024 1.00 0.00 H new ATOM 0 HB ILE A 50 3.594 0.807 -19.455 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.514 0.573 -18.201 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.353 1.789 -19.453 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.619 1.582 -21.593 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.750 0.230 -21.834 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.995 -0.057 -21.895 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.657 0.408 -19.309 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.146 0.178 -20.880 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.310 -1.056 -19.609 1.00 0.00 H new ATOM 759 N LEU A 51 4.170 -2.618 -21.229 1.00 0.00 N ATOM 760 CA LEU A 51 5.326 -3.230 -21.823 1.00 0.00 C ATOM 761 C LEU A 51 5.368 -3.001 -23.327 1.00 0.00 C ATOM 762 O LEU A 51 4.441 -3.365 -24.053 1.00 0.00 O ATOM 763 CB LEU A 51 5.350 -4.720 -21.476 1.00 0.00 C ATOM 764 CG LEU A 51 6.568 -5.518 -21.935 1.00 0.00 C ATOM 765 CD1 LEU A 51 7.840 -4.963 -21.314 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.396 -6.976 -21.548 1.00 0.00 C ATOM 0 H LEU A 51 3.276 -2.948 -21.593 1.00 0.00 H new ATOM 0 HA LEU A 51 6.222 -2.763 -21.414 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.269 -4.817 -20.393 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.461 -5.182 -21.905 1.00 0.00 H new ATOM 0 HG LEU A 51 6.652 -5.436 -23.019 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.696 -5.546 -21.654 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.967 -3.923 -21.614 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.770 -5.021 -20.228 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.266 -7.545 -21.876 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.298 -7.056 -20.465 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.501 -7.376 -22.024 1.00 0.00 H new ATOM 778 N LEU A 52 6.445 -2.392 -23.785 1.00 0.00 N ATOM 779 CA LEU A 52 6.663 -2.153 -25.199 1.00 0.00 C ATOM 780 C LEU A 52 7.566 -3.224 -25.791 1.00 0.00 C ATOM 781 O LEU A 52 8.551 -3.631 -25.171 1.00 0.00 O ATOM 782 CB LEU A 52 7.249 -0.748 -25.466 1.00 0.00 C ATOM 783 CG LEU A 52 6.368 0.473 -25.146 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.992 0.335 -25.765 1.00 0.00 C ATOM 785 CD2 LEU A 52 6.268 0.725 -23.656 1.00 0.00 C ATOM 0 H LEU A 52 7.195 -2.048 -23.186 1.00 0.00 H new ATOM 0 HA LEU A 52 5.690 -2.200 -25.687 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.170 -0.655 -24.891 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.524 -0.695 -26.519 1.00 0.00 H new ATOM 0 HG LEU A 52 6.854 1.341 -25.590 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.394 1.213 -25.521 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.087 0.250 -26.848 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.504 -0.557 -25.372 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.637 1.595 -23.476 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.832 -0.147 -23.168 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.263 0.908 -23.250 1.00 0.00 H new ATOM 797 N GLU A 53 7.226 -3.670 -26.988 1.00 0.00 N ATOM 798 CA GLU A 53 7.936 -4.761 -27.659 1.00 0.00 C ATOM 799 C GLU A 53 9.375 -4.387 -27.979 1.00 0.00 C ATOM 800 O GLU A 53 10.285 -5.193 -27.806 1.00 0.00 O ATOM 801 CB GLU A 53 7.218 -5.127 -28.954 1.00 0.00 C ATOM 802 CG GLU A 53 5.864 -5.788 -28.766 1.00 0.00 C ATOM 803 CD GLU A 53 5.171 -6.041 -30.074 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.698 -6.816 -30.902 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.093 -5.453 -30.307 1.00 0.00 O ATOM 0 H GLU A 53 6.449 -3.289 -27.528 1.00 0.00 H new ATOM 0 HA GLU A 53 7.947 -5.612 -26.978 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.086 -4.223 -29.548 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.857 -5.796 -29.530 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.993 -6.732 -28.236 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.236 -5.154 -28.140 1.00 0.00 H new ATOM 812 N ASN A 54 9.580 -3.165 -28.428 1.00 0.00 N ATOM 813 CA ASN A 54 10.902 -2.722 -28.865 1.00 0.00 C ATOM 814 C ASN A 54 11.826 -2.463 -27.670 1.00 0.00 C ATOM 815 O ASN A 54 13.040 -2.306 -27.823 1.00 0.00 O ATOM 816 CB ASN A 54 10.793 -1.478 -29.741 1.00 0.00 C ATOM 817 CG ASN A 54 12.097 -1.128 -30.422 1.00 0.00 C ATOM 818 OD1 ASN A 54 12.856 -2.006 -30.834 1.00 0.00 O ATOM 819 ND2 ASN A 54 12.370 0.148 -30.528 1.00 0.00 N ATOM 0 H ASN A 54 8.851 -2.455 -28.502 1.00 0.00 H new ATOM 0 HA ASN A 54 11.341 -3.524 -29.459 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.024 -1.637 -30.497 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.469 -0.635 -29.130 1.00 0.00 H new ATOM 0 HD21 ASN A 54 13.241 0.449 -30.966 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.712 0.842 -30.173 1.00 0.00 H new ATOM 826 N GLN A 55 11.243 -2.417 -26.482 1.00 0.00 N ATOM 827 CA GLN A 55 12.008 -2.208 -25.264 1.00 0.00 C ATOM 828 C GLN A 55 12.630 -3.518 -24.767 1.00 0.00 C ATOM 829 O GLN A 55 13.444 -3.526 -23.841 1.00 0.00 O ATOM 830 CB GLN A 55 11.140 -1.574 -24.170 1.00 0.00 C ATOM 831 CG GLN A 55 10.601 -0.179 -24.506 1.00 0.00 C ATOM 832 CD GLN A 55 11.688 0.886 -24.652 1.00 0.00 C ATOM 833 OE1 GLN A 55 12.823 0.603 -25.009 1.00 0.00 O ATOM 834 NE2 GLN A 55 11.322 2.127 -24.391 1.00 0.00 N ATOM 0 H GLN A 55 10.239 -2.522 -26.336 1.00 0.00 H new ATOM 0 HA GLN A 55 12.818 -1.518 -25.499 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.297 -2.234 -23.966 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.725 -1.511 -23.252 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.033 -0.234 -25.434 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.906 0.129 -23.725 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.366 2.325 -24.095 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.995 2.888 -24.485 1.00 0.00 H new ATOM 843 N LEU A 56 12.217 -4.632 -25.371 1.00 0.00 N ATOM 844 CA LEU A 56 12.740 -5.943 -25.008 1.00 0.00 C ATOM 845 C LEU A 56 14.136 -6.133 -25.592 1.00 0.00 C ATOM 846 O LEU A 56 14.357 -5.911 -26.788 1.00 0.00 O ATOM 847 CB LEU A 56 11.819 -7.055 -25.539 1.00 0.00 C ATOM 848 CG LEU A 56 10.372 -7.067 -25.037 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.592 -8.197 -25.696 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.325 -7.193 -23.527 1.00 0.00 C ATOM 0 H LEU A 56 11.520 -4.649 -26.115 1.00 0.00 H new ATOM 0 HA LEU A 56 12.787 -6.001 -23.921 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.798 -6.985 -26.627 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.271 -8.015 -25.290 1.00 0.00 H new ATOM 0 HG LEU A 56 9.907 -6.120 -25.310 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.566 -8.193 -25.329 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.592 -8.057 -26.777 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.060 -9.151 -25.454 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.287 -7.199 -23.195 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.809 -8.122 -23.224 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.846 -6.349 -23.075 1.00 0.00 H new