USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=10 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 54 ASN : amide:sc= -0.134 K(o=-0.26,f=-0.93) USER MOD Set 1.2: A 55 GLN : amide:sc= -0.124 K(o=-0.26,f=-1.1) USER MOD Set 2.1: A 22 THR OG1 : rot 112:sc= 1.8 USER MOD Set 2.2: A 24 CYS SG : rot 154:sc= -1.8! USER MOD Set 2.3: A 26 HIS : no HE2:sc= -4.36! K(o=-3.8!,f=4.9) USER MOD Set 2.4: A 44 CYS SG : rot -128:sc= 0.528 USER MOD Set 3.1: A 9 CYS SG : rot -159:sc= 0.00407 USER MOD Set 3.2: A 12 CYS SG : rot -65:sc= 0.434 USER MOD Set 3.3: A 29 CYS SG : rot 123:sc= 1.34 USER MOD Set 3.4: A 32 CYS SG : rot -70:sc= -3.21! USER MOD Single : A 14 MET CE :methyl 143:sc= -0.879 (180deg=-2.03!) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0.951 K(o=0.95,f=-3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 14.376 -18.111 -15.501 1.00 0.00 N ATOM 105 CA GLU A 8 13.432 -18.867 -16.287 1.00 0.00 C ATOM 106 C GLU A 8 12.245 -17.992 -16.652 1.00 0.00 C ATOM 107 O GLU A 8 11.829 -17.145 -15.856 1.00 0.00 O ATOM 108 CB GLU A 8 12.956 -20.039 -15.453 1.00 0.00 C ATOM 109 CG GLU A 8 11.978 -20.963 -16.138 1.00 0.00 C ATOM 110 CD GLU A 8 11.532 -22.047 -15.209 1.00 0.00 C ATOM 111 OE1 GLU A 8 10.607 -21.797 -14.409 1.00 0.00 O ATOM 112 OE2 GLU A 8 12.131 -23.140 -15.237 1.00 0.00 O ATOM 0 HA GLU A 8 13.905 -19.217 -17.204 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.825 -20.620 -15.144 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.492 -19.653 -14.546 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.114 -20.395 -16.482 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.443 -21.403 -17.020 1.00 0.00 H new ATOM 119 N CYS A 9 11.713 -18.200 -17.845 1.00 0.00 N ATOM 120 CA CYS A 9 10.539 -17.499 -18.329 1.00 0.00 C ATOM 121 C CYS A 9 9.290 -18.064 -17.655 1.00 0.00 C ATOM 122 O CYS A 9 8.916 -19.211 -17.898 1.00 0.00 O ATOM 123 CB CYS A 9 10.452 -17.686 -19.847 1.00 0.00 C ATOM 124 SG CYS A 9 8.927 -17.086 -20.655 1.00 0.00 S ATOM 0 H CYS A 9 12.092 -18.871 -18.513 1.00 0.00 H new ATOM 0 HA CYS A 9 10.610 -16.437 -18.094 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.302 -17.178 -20.303 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.560 -18.748 -20.067 1.00 0.00 H new ATOM 0 HG CYS A 9 8.785 -17.674 -21.805 1.00 0.00 H new ATOM 129 N PRO A 10 8.633 -17.275 -16.786 1.00 0.00 N ATOM 130 CA PRO A 10 7.444 -17.727 -16.050 1.00 0.00 C ATOM 131 C PRO A 10 6.264 -18.051 -16.967 1.00 0.00 C ATOM 132 O PRO A 10 5.364 -18.789 -16.581 1.00 0.00 O ATOM 133 CB PRO A 10 7.097 -16.523 -15.158 1.00 0.00 C ATOM 134 CG PRO A 10 8.357 -15.740 -15.078 1.00 0.00 C ATOM 135 CD PRO A 10 9.006 -15.900 -16.419 1.00 0.00 C ATOM 0 HA PRO A 10 7.642 -18.649 -15.504 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.289 -15.931 -15.588 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.766 -16.844 -14.170 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.155 -14.691 -14.861 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.002 -16.112 -14.282 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.635 -15.172 -17.140 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.087 -15.773 -16.365 1.00 0.00 H new ATOM 143 N ILE A 11 6.280 -17.517 -18.183 1.00 0.00 N ATOM 144 CA ILE A 11 5.198 -17.764 -19.130 1.00 0.00 C ATOM 145 C ILE A 11 5.148 -19.233 -19.548 1.00 0.00 C ATOM 146 O ILE A 11 4.078 -19.846 -19.580 1.00 0.00 O ATOM 147 CB ILE A 11 5.291 -16.846 -20.382 1.00 0.00 C ATOM 148 CG1 ILE A 11 5.045 -15.388 -19.987 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.301 -17.276 -21.461 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.288 -14.396 -21.105 1.00 0.00 C ATOM 0 H ILE A 11 7.024 -16.915 -18.535 1.00 0.00 H new ATOM 0 HA ILE A 11 4.270 -17.521 -18.612 1.00 0.00 H new ATOM 0 HB ILE A 11 6.296 -16.939 -20.794 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.016 -15.285 -19.641 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.691 -15.137 -19.146 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.391 -16.614 -22.322 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.517 -18.300 -21.766 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.286 -17.221 -21.066 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.092 -13.386 -20.744 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.324 -14.468 -21.437 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.623 -14.619 -21.940 1.00 0.00 H new ATOM 162 N CYS A 12 6.304 -19.802 -19.839 1.00 0.00 N ATOM 163 CA CYS A 12 6.359 -21.175 -20.300 1.00 0.00 C ATOM 164 C CYS A 12 6.804 -22.115 -19.190 1.00 0.00 C ATOM 165 O CYS A 12 6.513 -23.311 -19.227 1.00 0.00 O ATOM 166 CB CYS A 12 7.294 -21.291 -21.499 1.00 0.00 C ATOM 167 SG CYS A 12 8.990 -20.700 -21.192 1.00 0.00 S ATOM 0 H CYS A 12 7.210 -19.338 -19.765 1.00 0.00 H new ATOM 0 HA CYS A 12 5.354 -21.468 -20.603 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.337 -22.335 -21.811 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.871 -20.727 -22.330 1.00 0.00 H new ATOM 0 HG CYS A 12 8.968 -19.421 -20.960 1.00 0.00 H new ATOM 172 N LEU A 13 7.510 -21.557 -18.204 1.00 0.00 N ATOM 173 CA LEU A 13 8.076 -22.309 -17.077 1.00 0.00 C ATOM 174 C LEU A 13 9.006 -23.428 -17.556 1.00 0.00 C ATOM 175 O LEU A 13 9.254 -24.388 -16.833 1.00 0.00 O ATOM 176 CB LEU A 13 6.955 -22.895 -16.199 1.00 0.00 C ATOM 177 CG LEU A 13 6.070 -21.890 -15.456 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.904 -22.602 -14.791 1.00 0.00 C ATOM 179 CD2 LEU A 13 6.882 -21.137 -14.419 1.00 0.00 C ATOM 0 H LEU A 13 7.708 -20.557 -18.163 1.00 0.00 H new ATOM 0 HA LEU A 13 8.666 -21.611 -16.483 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.315 -23.511 -16.830 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.410 -23.558 -15.463 1.00 0.00 H new ATOM 0 HG LEU A 13 5.677 -21.175 -16.179 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.284 -21.874 -14.267 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.307 -23.108 -15.549 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.283 -23.335 -14.079 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.239 -20.426 -13.899 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.298 -21.843 -13.700 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.693 -20.600 -14.911 1.00 0.00 H new ATOM 191 N MET A 14 9.527 -23.300 -18.767 1.00 0.00 N ATOM 192 CA MET A 14 10.451 -24.293 -19.278 1.00 0.00 C ATOM 193 C MET A 14 11.883 -23.874 -19.051 1.00 0.00 C ATOM 194 O MET A 14 12.690 -24.647 -18.531 1.00 0.00 O ATOM 195 CB MET A 14 10.220 -24.576 -20.762 1.00 0.00 C ATOM 196 CG MET A 14 8.893 -25.240 -21.078 1.00 0.00 C ATOM 197 SD MET A 14 8.734 -25.658 -22.826 1.00 0.00 S ATOM 198 CE MET A 14 8.641 -24.035 -23.582 1.00 0.00 C ATOM 0 H MET A 14 9.328 -22.529 -19.404 1.00 0.00 H new ATOM 0 HA MET A 14 10.262 -25.213 -18.724 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.282 -23.637 -21.312 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.026 -25.212 -21.127 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.791 -26.145 -20.480 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.079 -24.575 -20.791 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.173 -24.046 -24.533 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.597 -23.772 -23.753 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.097 -23.299 -22.920 1.00 0.00 H new ATOM 208 N ALA A 15 12.181 -22.636 -19.442 1.00 0.00 N ATOM 209 CA ALA A 15 13.520 -22.053 -19.397 1.00 0.00 C ATOM 210 C ALA A 15 13.464 -20.707 -20.093 1.00 0.00 C ATOM 211 O ALA A 15 12.384 -20.176 -20.311 1.00 0.00 O ATOM 212 CB ALA A 15 14.515 -22.952 -20.133 1.00 0.00 C ATOM 0 H ALA A 15 11.478 -21.994 -19.809 1.00 0.00 H new ATOM 0 HA ALA A 15 13.843 -21.947 -18.361 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.508 -22.505 -20.092 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.538 -23.933 -19.659 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.208 -23.059 -21.174 1.00 0.00 H new ATOM 218 N LEU A 16 14.610 -20.153 -20.416 1.00 0.00 N ATOM 219 CA LEU A 16 14.666 -19.003 -21.295 1.00 0.00 C ATOM 220 C LEU A 16 15.117 -19.466 -22.655 1.00 0.00 C ATOM 221 O LEU A 16 16.151 -20.128 -22.774 1.00 0.00 O ATOM 222 CB LEU A 16 15.662 -17.955 -20.785 1.00 0.00 C ATOM 223 CG LEU A 16 15.362 -17.302 -19.444 1.00 0.00 C ATOM 224 CD1 LEU A 16 16.476 -16.339 -19.074 1.00 0.00 C ATOM 225 CD2 LEU A 16 14.036 -16.573 -19.497 1.00 0.00 C ATOM 0 H LEU A 16 15.518 -20.479 -20.084 1.00 0.00 H new ATOM 0 HA LEU A 16 13.676 -18.549 -21.334 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.643 -18.426 -20.719 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.736 -17.167 -21.535 1.00 0.00 H new ATOM 0 HG LEU A 16 15.300 -18.079 -18.682 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.253 -15.876 -18.113 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.419 -16.882 -19.005 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.558 -15.566 -19.838 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.836 -16.111 -18.530 1.00 0.00 H new ATOM 0 HD22 LEU A 16 14.075 -15.802 -20.266 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.241 -17.280 -19.733 1.00 0.00 H new ATOM 237 N ARG A 17 14.354 -19.158 -23.672 1.00 0.00 N ATOM 238 CA ARG A 17 14.764 -19.495 -25.015 1.00 0.00 C ATOM 239 C ARG A 17 15.774 -18.466 -25.518 1.00 0.00 C ATOM 240 O ARG A 17 16.969 -18.717 -25.527 1.00 0.00 O ATOM 241 CB ARG A 17 13.551 -19.567 -25.948 1.00 0.00 C ATOM 242 CG ARG A 17 13.863 -20.004 -27.373 1.00 0.00 C ATOM 243 CD ARG A 17 14.342 -21.443 -27.415 1.00 0.00 C ATOM 244 NE ARG A 17 14.586 -21.898 -28.778 1.00 0.00 N ATOM 245 CZ ARG A 17 14.684 -23.175 -29.142 1.00 0.00 C ATOM 246 NH1 ARG A 17 14.585 -24.142 -28.225 1.00 0.00 N ATOM 247 NH2 ARG A 17 14.877 -23.488 -30.420 1.00 0.00 N ATOM 0 H ARG A 17 13.456 -18.680 -23.601 1.00 0.00 H new ATOM 0 HA ARG A 17 15.237 -20.477 -25.005 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.824 -20.259 -25.522 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.077 -18.586 -25.980 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.972 -19.897 -27.992 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.626 -19.352 -27.797 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.258 -21.537 -26.832 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.598 -22.087 -26.946 1.00 0.00 H new ATOM 0 HE ARG A 17 14.689 -21.189 -29.504 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.434 -23.902 -27.245 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.660 -25.120 -28.505 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.950 -22.750 -31.120 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.952 -24.466 -30.700 1.00 0.00 H new ATOM 261 N GLU A 18 15.283 -17.299 -25.894 1.00 0.00 N ATOM 262 CA GLU A 18 16.143 -16.240 -26.400 1.00 0.00 C ATOM 263 C GLU A 18 16.626 -15.346 -25.266 1.00 0.00 C ATOM 264 O GLU A 18 17.578 -14.577 -25.432 1.00 0.00 O ATOM 265 CB GLU A 18 15.395 -15.414 -27.435 1.00 0.00 C ATOM 266 CG GLU A 18 14.966 -16.209 -28.659 1.00 0.00 C ATOM 267 CD GLU A 18 16.127 -16.787 -29.417 1.00 0.00 C ATOM 268 OE1 GLU A 18 17.005 -16.015 -29.847 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.174 -18.018 -29.592 1.00 0.00 O ATOM 0 H GLU A 18 14.292 -17.059 -25.859 1.00 0.00 H new ATOM 0 HA GLU A 18 17.014 -16.698 -26.869 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.512 -14.977 -26.969 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.029 -14.587 -27.754 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.304 -17.017 -28.348 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.391 -15.563 -29.322 1.00 0.00 H new ATOM 276 N ALA A 19 15.953 -15.471 -24.113 1.00 0.00 N ATOM 277 CA ALA A 19 16.230 -14.672 -22.918 1.00 0.00 C ATOM 278 C ALA A 19 16.015 -13.182 -23.175 1.00 0.00 C ATOM 279 O ALA A 19 16.957 -12.449 -23.501 1.00 0.00 O ATOM 280 CB ALA A 19 17.630 -14.951 -22.365 1.00 0.00 C ATOM 0 H ALA A 19 15.193 -16.139 -23.986 1.00 0.00 H new ATOM 0 HA ALA A 19 15.514 -14.975 -22.154 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.799 -14.340 -21.478 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.713 -16.005 -22.100 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.375 -14.707 -23.122 1.00 0.00 H new ATOM 286 N VAL A 20 14.769 -12.741 -23.053 1.00 0.00 N ATOM 287 CA VAL A 20 14.421 -11.348 -23.281 1.00 0.00 C ATOM 288 C VAL A 20 14.152 -10.626 -21.962 1.00 0.00 C ATOM 289 O VAL A 20 13.260 -11.004 -21.193 1.00 0.00 O ATOM 290 CB VAL A 20 13.225 -11.168 -24.265 1.00 0.00 C ATOM 291 CG1 VAL A 20 13.544 -11.773 -25.616 1.00 0.00 C ATOM 292 CG2 VAL A 20 11.942 -11.766 -23.727 1.00 0.00 C ATOM 0 H VAL A 20 13.980 -13.334 -22.796 1.00 0.00 H new ATOM 0 HA VAL A 20 15.288 -10.892 -23.760 1.00 0.00 H new ATOM 0 HB VAL A 20 13.071 -10.095 -24.376 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.695 -11.635 -26.286 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.421 -11.282 -26.037 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.745 -12.838 -25.499 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.139 -11.615 -24.449 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.081 -12.834 -23.558 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.681 -11.281 -22.787 1.00 0.00 H new ATOM 302 N GLN A 21 14.968 -9.646 -21.681 1.00 0.00 N ATOM 303 CA GLN A 21 14.814 -8.821 -20.508 1.00 0.00 C ATOM 304 C GLN A 21 13.760 -7.749 -20.749 1.00 0.00 C ATOM 305 O GLN A 21 13.734 -7.122 -21.813 1.00 0.00 O ATOM 306 CB GLN A 21 16.147 -8.166 -20.166 1.00 0.00 C ATOM 307 CG GLN A 21 16.122 -7.292 -18.928 1.00 0.00 C ATOM 308 CD GLN A 21 17.452 -6.624 -18.671 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.508 -7.145 -19.038 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.417 -5.481 -18.039 1.00 0.00 N ATOM 0 H GLN A 21 15.766 -9.394 -22.264 1.00 0.00 H new ATOM 0 HA GLN A 21 14.492 -9.447 -19.676 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.896 -8.946 -20.029 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.468 -7.562 -21.015 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.351 -6.530 -19.040 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.849 -7.898 -18.064 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.522 -5.084 -17.752 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.284 -4.986 -17.832 1.00 0.00 H new ATOM 319 N THR A 22 12.887 -7.561 -19.790 1.00 0.00 N ATOM 320 CA THR A 22 11.932 -6.481 -19.840 1.00 0.00 C ATOM 321 C THR A 22 12.419 -5.352 -18.931 1.00 0.00 C ATOM 322 O THR A 22 13.182 -5.606 -17.998 1.00 0.00 O ATOM 323 CB THR A 22 10.534 -6.956 -19.380 1.00 0.00 C ATOM 324 OG1 THR A 22 10.579 -7.378 -18.007 1.00 0.00 O ATOM 325 CG2 THR A 22 10.051 -8.109 -20.241 1.00 0.00 C ATOM 0 H THR A 22 12.818 -8.148 -18.958 1.00 0.00 H new ATOM 0 HA THR A 22 11.847 -6.129 -20.868 1.00 0.00 H new ATOM 0 HB THR A 22 9.842 -6.120 -19.482 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.072 -6.748 -17.454 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.066 -8.429 -19.901 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.989 -7.786 -21.280 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.750 -8.941 -20.160 1.00 0.00 H new ATOM 333 N PRO A 23 11.990 -4.092 -19.168 1.00 0.00 N ATOM 334 CA PRO A 23 12.416 -2.940 -18.347 1.00 0.00 C ATOM 335 C PRO A 23 11.969 -3.073 -16.889 1.00 0.00 C ATOM 336 O PRO A 23 12.554 -2.472 -15.990 1.00 0.00 O ATOM 337 CB PRO A 23 11.719 -1.746 -19.015 1.00 0.00 C ATOM 338 CG PRO A 23 10.577 -2.351 -19.750 1.00 0.00 C ATOM 339 CD PRO A 23 11.084 -3.671 -20.249 1.00 0.00 C ATOM 0 HA PRO A 23 13.501 -2.847 -18.307 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.377 -1.021 -18.276 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.393 -1.219 -19.691 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.714 -2.482 -19.097 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.258 -1.714 -20.575 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.275 -4.385 -20.402 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.606 -3.572 -21.201 1.00 0.00 H new ATOM 347 N CYS A 24 10.931 -3.868 -16.664 1.00 0.00 N ATOM 348 CA CYS A 24 10.444 -4.116 -15.328 1.00 0.00 C ATOM 349 C CYS A 24 11.333 -5.117 -14.566 1.00 0.00 C ATOM 350 O CYS A 24 11.205 -5.271 -13.350 1.00 0.00 O ATOM 351 CB CYS A 24 8.975 -4.533 -15.340 1.00 0.00 C ATOM 352 SG CYS A 24 8.506 -5.685 -16.672 1.00 0.00 S ATOM 0 H CYS A 24 10.413 -4.351 -17.398 1.00 0.00 H new ATOM 0 HA CYS A 24 10.503 -3.176 -14.779 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.737 -4.995 -14.382 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.360 -3.637 -15.423 1.00 0.00 H new ATOM 0 HG CYS A 24 7.468 -6.376 -16.303 1.00 0.00 H new ATOM 357 N GLY A 25 12.207 -5.812 -15.295 1.00 0.00 N ATOM 358 CA GLY A 25 13.168 -6.699 -14.656 1.00 0.00 C ATOM 359 C GLY A 25 12.800 -8.171 -14.733 1.00 0.00 C ATOM 360 O GLY A 25 13.168 -8.958 -13.857 1.00 0.00 O ATOM 0 H GLY A 25 12.266 -5.777 -16.313 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.144 -6.555 -15.120 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.268 -6.415 -13.608 1.00 0.00 H new ATOM 364 N HIS A 26 12.096 -8.559 -15.774 1.00 0.00 N ATOM 365 CA HIS A 26 11.714 -9.958 -15.929 1.00 0.00 C ATOM 366 C HIS A 26 12.434 -10.534 -17.119 1.00 0.00 C ATOM 367 O HIS A 26 12.715 -9.818 -18.079 1.00 0.00 O ATOM 368 CB HIS A 26 10.218 -10.099 -16.193 1.00 0.00 C ATOM 369 CG HIS A 26 9.317 -9.566 -15.136 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.870 -10.300 -14.063 1.00 0.00 N ATOM 371 CD2 HIS A 26 8.755 -8.358 -15.018 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.059 -9.554 -13.333 1.00 0.00 C ATOM 373 NE2 HIS A 26 7.974 -8.361 -13.900 1.00 0.00 N ATOM 0 H HIS A 26 11.777 -7.940 -16.520 1.00 0.00 H new ATOM 0 HA HIS A 26 11.973 -10.479 -15.007 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.985 -9.593 -17.130 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.992 -11.156 -16.336 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.124 -11.267 -13.862 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.895 -7.525 -15.691 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.553 -9.864 -12.430 1.00 0.00 H new ATOM 380 N ARG A 27 12.745 -11.806 -17.063 1.00 0.00 N ATOM 381 CA ARG A 27 13.282 -12.490 -18.220 1.00 0.00 C ATOM 382 C ARG A 27 12.226 -13.425 -18.792 1.00 0.00 C ATOM 383 O ARG A 27 11.636 -14.224 -18.056 1.00 0.00 O ATOM 384 CB ARG A 27 14.541 -13.278 -17.862 1.00 0.00 C ATOM 385 CG ARG A 27 15.739 -12.427 -17.470 1.00 0.00 C ATOM 386 CD ARG A 27 16.918 -13.308 -17.099 1.00 0.00 C ATOM 387 NE ARG A 27 18.089 -12.540 -16.699 1.00 0.00 N ATOM 388 CZ ARG A 27 18.518 -12.401 -15.446 1.00 0.00 C ATOM 389 NH1 ARG A 27 17.863 -12.990 -14.443 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.603 -11.679 -15.194 1.00 0.00 N ATOM 0 H ARG A 27 12.637 -12.389 -16.233 1.00 0.00 H new ATOM 0 HA ARG A 27 13.555 -11.744 -18.966 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.308 -13.953 -17.038 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.818 -13.899 -18.714 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.013 -11.772 -18.297 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.477 -11.786 -16.628 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.628 -13.972 -16.284 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.176 -13.940 -17.949 1.00 0.00 H new ATOM 0 HE ARG A 27 18.621 -12.073 -17.434 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.031 -13.548 -14.635 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.194 -12.882 -13.484 1.00 0.00 H new ATOM 0 HH21 ARG A 27 20.107 -11.232 -15.960 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.933 -11.572 -14.235 1.00 0.00 H new ATOM 404 N PHE A 28 11.982 -13.317 -20.079 1.00 0.00 N ATOM 405 CA PHE A 28 11.030 -14.179 -20.770 1.00 0.00 C ATOM 406 C PHE A 28 11.658 -14.730 -22.044 1.00 0.00 C ATOM 407 O PHE A 28 12.850 -14.526 -22.303 1.00 0.00 O ATOM 408 CB PHE A 28 9.748 -13.415 -21.142 1.00 0.00 C ATOM 409 CG PHE A 28 8.951 -12.877 -19.984 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.192 -13.720 -19.193 1.00 0.00 C ATOM 411 CD2 PHE A 28 8.942 -11.521 -19.711 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.439 -13.218 -18.146 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.195 -11.015 -18.666 1.00 0.00 C ATOM 414 CZ PHE A 28 7.440 -11.863 -17.883 1.00 0.00 C ATOM 0 H PHE A 28 12.435 -12.631 -20.683 1.00 0.00 H new ATOM 0 HA PHE A 28 10.771 -14.993 -20.093 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.018 -12.582 -21.791 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.107 -14.078 -21.724 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.187 -14.781 -19.394 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.526 -10.850 -20.323 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.851 -13.886 -17.535 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.202 -9.955 -18.462 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.852 -11.468 -17.067 1.00 0.00 H new ATOM 424 N CYS A 29 10.874 -15.439 -22.823 1.00 0.00 N ATOM 425 CA CYS A 29 11.314 -15.884 -24.129 1.00 0.00 C ATOM 426 C CYS A 29 10.759 -14.961 -25.214 1.00 0.00 C ATOM 427 O CYS A 29 9.744 -14.291 -25.015 1.00 0.00 O ATOM 428 CB CYS A 29 10.870 -17.312 -24.389 1.00 0.00 C ATOM 429 SG CYS A 29 11.363 -18.502 -23.102 1.00 0.00 S ATOM 0 H CYS A 29 9.926 -15.722 -22.576 1.00 0.00 H new ATOM 0 HA CYS A 29 12.403 -15.850 -24.153 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.784 -17.330 -24.486 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.281 -17.639 -25.344 1.00 0.00 H new ATOM 0 HG CYS A 29 10.306 -19.098 -22.634 1.00 0.00 H new ATOM 434 N LYS A 30 11.399 -14.978 -26.365 1.00 0.00 N ATOM 435 CA LYS A 30 11.085 -14.083 -27.478 1.00 0.00 C ATOM 436 C LYS A 30 9.818 -14.552 -28.213 1.00 0.00 C ATOM 437 O LYS A 30 9.260 -13.840 -29.041 1.00 0.00 O ATOM 438 CB LYS A 30 12.297 -14.034 -28.416 1.00 0.00 C ATOM 439 CG LYS A 30 12.222 -13.075 -29.591 1.00 0.00 C ATOM 440 CD LYS A 30 13.532 -13.101 -30.367 1.00 0.00 C ATOM 441 CE LYS A 30 13.521 -12.135 -31.534 1.00 0.00 C ATOM 442 NZ LYS A 30 14.821 -12.120 -32.255 1.00 0.00 N ATOM 0 H LYS A 30 12.165 -15.621 -26.564 1.00 0.00 H new ATOM 0 HA LYS A 30 10.879 -13.079 -27.106 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.174 -13.775 -27.823 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.463 -15.038 -28.808 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.396 -13.353 -30.246 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.021 -12.065 -29.235 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.355 -12.851 -29.697 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.716 -14.111 -30.734 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.725 -12.411 -32.226 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.295 -11.132 -31.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.772 -11.447 -33.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.577 -11.832 -31.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.025 -13.071 -32.623 1.00 0.00 H new ATOM 456 N ALA A 31 9.360 -15.739 -27.877 1.00 0.00 N ATOM 457 CA ALA A 31 8.153 -16.278 -28.476 1.00 0.00 C ATOM 458 C ALA A 31 7.065 -16.416 -27.427 1.00 0.00 C ATOM 459 O ALA A 31 5.916 -16.722 -27.742 1.00 0.00 O ATOM 460 CB ALA A 31 8.439 -17.624 -29.124 1.00 0.00 C ATOM 0 H ALA A 31 9.804 -16.351 -27.192 1.00 0.00 H new ATOM 0 HA ALA A 31 7.808 -15.590 -29.248 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.524 -18.015 -29.569 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.196 -17.501 -29.899 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.803 -18.321 -28.369 1.00 0.00 H new ATOM 466 N CYS A 32 7.431 -16.175 -26.179 1.00 0.00 N ATOM 467 CA CYS A 32 6.478 -16.198 -25.092 1.00 0.00 C ATOM 468 C CYS A 32 5.891 -14.814 -24.859 1.00 0.00 C ATOM 469 O CYS A 32 4.687 -14.610 -25.008 1.00 0.00 O ATOM 470 CB CYS A 32 7.127 -16.721 -23.809 1.00 0.00 C ATOM 471 SG CYS A 32 7.802 -18.408 -23.936 1.00 0.00 S ATOM 0 H CYS A 32 8.387 -15.961 -25.897 1.00 0.00 H new ATOM 0 HA CYS A 32 5.670 -16.874 -25.370 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.930 -16.043 -23.521 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.388 -16.698 -23.008 1.00 0.00 H new ATOM 0 HG CYS A 32 6.825 -19.261 -24.027 1.00 0.00 H new ATOM 476 N ILE A 33 6.752 -13.859 -24.513 1.00 0.00 N ATOM 477 CA ILE A 33 6.299 -12.525 -24.147 1.00 0.00 C ATOM 478 C ILE A 33 5.694 -11.780 -25.338 1.00 0.00 C ATOM 479 O ILE A 33 4.658 -11.138 -25.208 1.00 0.00 O ATOM 480 CB ILE A 33 7.419 -11.678 -23.475 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.849 -10.390 -22.881 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.543 -11.361 -24.447 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.862 -10.619 -21.760 1.00 0.00 C ATOM 0 H ILE A 33 7.763 -13.987 -24.479 1.00 0.00 H new ATOM 0 HA ILE A 33 5.512 -12.667 -23.406 1.00 0.00 H new ATOM 0 HB ILE A 33 7.836 -12.278 -22.667 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.671 -9.778 -22.509 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.360 -9.821 -23.672 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.305 -10.769 -23.941 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.985 -12.290 -24.807 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.146 -10.797 -25.291 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.502 -9.659 -21.390 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.020 -11.204 -22.130 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.351 -11.160 -20.950 1.00 0.00 H new ATOM 495 N ILE A 34 6.318 -11.914 -26.505 1.00 0.00 N ATOM 496 CA ILE A 34 5.845 -11.244 -27.710 1.00 0.00 C ATOM 497 C ILE A 34 4.464 -11.739 -28.083 1.00 0.00 C ATOM 498 O ILE A 34 3.573 -10.956 -28.390 1.00 0.00 O ATOM 499 CB ILE A 34 6.829 -11.373 -28.907 1.00 0.00 C ATOM 500 CG1 ILE A 34 8.111 -10.584 -28.612 1.00 0.00 C ATOM 501 CG2 ILE A 34 6.186 -10.878 -30.200 1.00 0.00 C ATOM 502 CD1 ILE A 34 9.209 -10.764 -29.637 1.00 0.00 C ATOM 0 H ILE A 34 7.154 -12.482 -26.641 1.00 0.00 H new ATOM 0 HA ILE A 34 5.790 -10.180 -27.478 1.00 0.00 H new ATOM 0 HB ILE A 34 7.078 -12.426 -29.039 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.863 -9.525 -28.546 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.490 -10.884 -27.635 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.896 -10.979 -31.021 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.296 -11.470 -30.414 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.906 -9.830 -30.089 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.077 -10.171 -29.349 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.490 -11.816 -29.689 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.853 -10.435 -30.613 1.00 0.00 H new ATOM 514 N LYS A 35 4.270 -13.034 -27.982 1.00 0.00 N ATOM 515 CA LYS A 35 3.040 -13.654 -28.408 1.00 0.00 C ATOM 516 C LYS A 35 1.938 -13.475 -27.345 1.00 0.00 C ATOM 517 O LYS A 35 0.801 -13.911 -27.513 1.00 0.00 O ATOM 518 CB LYS A 35 3.297 -15.117 -28.721 1.00 0.00 C ATOM 519 CG LYS A 35 2.139 -15.807 -29.393 1.00 0.00 C ATOM 520 CD LYS A 35 2.524 -17.183 -29.849 1.00 0.00 C ATOM 521 CE LYS A 35 2.830 -18.116 -28.684 1.00 0.00 C ATOM 522 NZ LYS A 35 3.192 -19.473 -29.149 1.00 0.00 N ATOM 0 H LYS A 35 4.959 -13.684 -27.603 1.00 0.00 H new ATOM 0 HA LYS A 35 2.682 -13.168 -29.315 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.175 -15.193 -29.362 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.532 -15.641 -27.795 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.299 -15.871 -28.702 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.805 -15.217 -30.247 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.715 -17.605 -30.446 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.398 -17.117 -30.497 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.648 -17.704 -28.093 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.961 -18.176 -28.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.393 -20.079 -28.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.402 -19.876 -29.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.036 -19.419 -29.754 1.00 0.00 H new ATOM 536 N SER A 36 2.283 -12.792 -26.275 1.00 0.00 N ATOM 537 CA SER A 36 1.332 -12.461 -25.238 1.00 0.00 C ATOM 538 C SER A 36 0.955 -10.984 -25.356 1.00 0.00 C ATOM 539 O SER A 36 -0.153 -10.577 -24.996 1.00 0.00 O ATOM 540 CB SER A 36 1.952 -12.747 -23.857 1.00 0.00 C ATOM 541 OG SER A 36 1.094 -12.350 -22.800 1.00 0.00 O ATOM 0 H SER A 36 3.228 -12.452 -26.100 1.00 0.00 H new ATOM 0 HA SER A 36 0.434 -13.069 -25.350 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.167 -13.812 -23.769 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.903 -12.221 -23.770 1.00 0.00 H new ATOM 0 HG SER A 36 1.521 -12.549 -21.940 1.00 0.00 H new ATOM 547 N ILE A 37 1.843 -10.196 -25.944 1.00 0.00 N ATOM 548 CA ILE A 37 1.623 -8.763 -26.027 1.00 0.00 C ATOM 549 C ILE A 37 1.159 -8.353 -27.415 1.00 0.00 C ATOM 550 O ILE A 37 0.791 -7.209 -27.640 1.00 0.00 O ATOM 551 CB ILE A 37 2.888 -7.957 -25.623 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.074 -8.313 -26.528 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.232 -8.199 -24.159 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.324 -7.497 -26.272 1.00 0.00 C ATOM 0 H ILE A 37 2.713 -10.521 -26.366 1.00 0.00 H new ATOM 0 HA ILE A 37 0.833 -8.526 -25.314 1.00 0.00 H new ATOM 0 HB ILE A 37 2.673 -6.896 -25.752 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.311 -9.369 -26.397 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.775 -8.180 -27.568 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.121 -7.626 -23.895 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.398 -7.884 -23.532 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.424 -9.260 -24.001 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.112 -7.814 -26.955 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.108 -6.441 -26.432 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.653 -7.648 -25.244 1.00 0.00 H new ATOM 566 N ARG A 38 1.169 -9.298 -28.340 1.00 0.00 N ATOM 567 CA ARG A 38 0.598 -9.074 -29.663 1.00 0.00 C ATOM 568 C ARG A 38 -0.794 -9.677 -29.741 1.00 0.00 C ATOM 569 O ARG A 38 -1.437 -9.657 -30.792 1.00 0.00 O ATOM 570 CB ARG A 38 1.492 -9.651 -30.768 1.00 0.00 C ATOM 571 CG ARG A 38 1.664 -11.165 -30.733 1.00 0.00 C ATOM 572 CD ARG A 38 2.558 -11.646 -31.867 1.00 0.00 C ATOM 573 NE ARG A 38 1.917 -11.501 -33.175 1.00 0.00 N ATOM 574 CZ ARG A 38 2.517 -11.051 -34.283 1.00 0.00 C ATOM 575 NH1 ARG A 38 3.759 -10.579 -34.239 1.00 0.00 N ATOM 576 NH2 ARG A 38 1.857 -11.048 -35.430 1.00 0.00 N ATOM 0 H ARG A 38 1.565 -10.228 -28.202 1.00 0.00 H new ATOM 0 HA ARG A 38 0.531 -7.998 -29.820 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.075 -9.370 -31.735 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.476 -9.187 -30.698 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.094 -11.462 -29.777 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.689 -11.646 -30.807 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.491 -11.082 -31.857 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.817 -12.692 -31.705 1.00 0.00 H new ATOM 0 HE ARG A 38 0.934 -11.764 -33.248 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.265 -10.557 -33.354 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.206 -10.239 -35.091 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.896 -11.388 -35.466 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.309 -10.706 -36.278 1.00 0.00 H new ATOM 590 N ASP A 39 -1.250 -10.224 -28.624 1.00 0.00 N ATOM 591 CA ASP A 39 -2.548 -10.878 -28.580 1.00 0.00 C ATOM 592 C ASP A 39 -3.463 -10.261 -27.536 1.00 0.00 C ATOM 593 O ASP A 39 -4.571 -9.826 -27.849 1.00 0.00 O ATOM 594 CB ASP A 39 -2.390 -12.368 -28.306 1.00 0.00 C ATOM 595 CG ASP A 39 -3.725 -13.072 -28.212 1.00 0.00 C ATOM 596 OD1 ASP A 39 -4.354 -13.317 -29.256 1.00 0.00 O ATOM 597 OD2 ASP A 39 -4.159 -13.389 -27.088 1.00 0.00 O ATOM 0 H ASP A 39 -0.742 -10.228 -27.739 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.008 -10.735 -29.558 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.796 -12.821 -29.100 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.840 -12.509 -27.376 1.00 0.00 H new ATOM 602 N ALA A 40 -2.999 -10.226 -26.298 1.00 0.00 N ATOM 603 CA ALA A 40 -3.804 -9.713 -25.204 1.00 0.00 C ATOM 604 C ALA A 40 -3.674 -8.203 -25.101 1.00 0.00 C ATOM 605 O ALA A 40 -4.639 -7.461 -25.318 1.00 0.00 O ATOM 606 CB ALA A 40 -3.415 -10.386 -23.896 1.00 0.00 C ATOM 0 H ALA A 40 -2.070 -10.547 -26.026 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.850 -9.945 -25.407 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.028 -9.990 -23.087 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.574 -11.461 -23.979 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.364 -10.190 -23.684 1.00 0.00 H new ATOM 612 N GLY A 41 -2.490 -7.758 -24.759 1.00 0.00 N ATOM 613 CA GLY A 41 -2.214 -6.354 -24.658 1.00 0.00 C ATOM 614 C GLY A 41 -0.748 -6.137 -24.477 1.00 0.00 C ATOM 615 O GLY A 41 -0.031 -7.073 -24.128 1.00 0.00 O ATOM 0 H GLY A 41 -1.695 -8.360 -24.544 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.558 -5.841 -25.556 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.760 -5.926 -23.817 1.00 0.00 H new ATOM 619 N HIS A 42 -0.287 -4.929 -24.688 1.00 0.00 N ATOM 620 CA HIS A 42 1.121 -4.639 -24.520 1.00 0.00 C ATOM 621 C HIS A 42 1.437 -4.323 -23.074 1.00 0.00 C ATOM 622 O HIS A 42 1.638 -3.171 -22.693 1.00 0.00 O ATOM 623 CB HIS A 42 1.611 -3.535 -25.471 1.00 0.00 C ATOM 624 CG HIS A 42 1.806 -3.995 -26.888 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.859 -3.842 -27.874 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.856 -4.616 -27.478 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.312 -4.350 -29.005 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.524 -4.827 -28.791 1.00 0.00 N ATOM 0 H HIS A 42 -0.859 -4.134 -24.974 1.00 0.00 H new ATOM 0 HA HIS A 42 1.672 -5.539 -24.793 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.893 -2.715 -25.461 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.554 -3.137 -25.095 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.784 -4.894 -27.001 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.781 -4.372 -29.945 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.116 -5.278 -29.488 1.00 0.00 H new ATOM 637 N LYS A 43 1.433 -5.363 -22.264 1.00 0.00 N ATOM 638 CA LYS A 43 1.728 -5.251 -20.860 1.00 0.00 C ATOM 639 C LYS A 43 2.376 -6.530 -20.363 1.00 0.00 C ATOM 640 O LYS A 43 2.136 -7.618 -20.910 1.00 0.00 O ATOM 641 CB LYS A 43 0.455 -4.933 -20.054 1.00 0.00 C ATOM 642 CG LYS A 43 -0.596 -6.033 -20.054 1.00 0.00 C ATOM 643 CD LYS A 43 -1.807 -5.649 -19.211 1.00 0.00 C ATOM 644 CE LYS A 43 -2.584 -4.499 -19.843 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.786 -4.138 -19.057 1.00 0.00 N ATOM 0 H LYS A 43 1.223 -6.313 -22.569 1.00 0.00 H new ATOM 0 HA LYS A 43 2.426 -4.426 -20.716 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.739 -4.722 -19.023 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.007 -4.023 -20.454 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.913 -6.235 -21.077 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.160 -6.954 -19.668 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.462 -6.513 -19.097 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.480 -5.363 -18.211 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.934 -3.628 -19.930 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.883 -4.777 -20.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.283 -3.352 -19.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.420 -4.960 -18.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.501 -3.847 -18.100 1.00 0.00 H new ATOM 659 N CYS A 44 3.196 -6.395 -19.346 1.00 0.00 N ATOM 660 CA CYS A 44 3.843 -7.513 -18.723 1.00 0.00 C ATOM 661 C CYS A 44 2.812 -8.283 -17.916 1.00 0.00 C ATOM 662 O CYS A 44 2.154 -7.717 -17.047 1.00 0.00 O ATOM 663 CB CYS A 44 4.967 -6.996 -17.818 1.00 0.00 C ATOM 664 SG CYS A 44 5.874 -8.264 -16.856 1.00 0.00 S ATOM 0 H CYS A 44 3.431 -5.495 -18.928 1.00 0.00 H new ATOM 0 HA CYS A 44 4.275 -8.177 -19.472 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.684 -6.456 -18.436 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.541 -6.275 -17.120 1.00 0.00 H new ATOM 0 HG CYS A 44 5.894 -7.925 -15.601 1.00 0.00 H new ATOM 669 N PRO A 45 2.654 -9.581 -18.188 1.00 0.00 N ATOM 670 CA PRO A 45 1.617 -10.397 -17.559 1.00 0.00 C ATOM 671 C PRO A 45 1.798 -10.538 -16.046 1.00 0.00 C ATOM 672 O PRO A 45 0.829 -10.771 -15.316 1.00 0.00 O ATOM 673 CB PRO A 45 1.771 -11.762 -18.249 1.00 0.00 C ATOM 674 CG PRO A 45 3.175 -11.778 -18.738 1.00 0.00 C ATOM 675 CD PRO A 45 3.476 -10.364 -19.131 1.00 0.00 C ATOM 0 HA PRO A 45 0.630 -9.948 -17.675 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.584 -12.581 -17.554 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.064 -11.873 -19.071 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.857 -12.124 -17.962 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.288 -12.454 -19.586 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.537 -10.133 -19.031 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.203 -10.165 -20.167 1.00 0.00 H new ATOM 683 N VAL A 46 3.029 -10.392 -15.579 1.00 0.00 N ATOM 684 CA VAL A 46 3.329 -10.627 -14.177 1.00 0.00 C ATOM 685 C VAL A 46 2.950 -9.434 -13.290 1.00 0.00 C ATOM 686 O VAL A 46 2.160 -9.570 -12.356 1.00 0.00 O ATOM 687 CB VAL A 46 4.821 -10.979 -13.968 1.00 0.00 C ATOM 688 CG1 VAL A 46 5.112 -11.282 -12.501 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.230 -12.149 -14.851 1.00 0.00 C ATOM 0 H VAL A 46 3.830 -10.114 -16.146 1.00 0.00 H new ATOM 0 HA VAL A 46 2.718 -11.478 -13.876 1.00 0.00 H new ATOM 0 HB VAL A 46 5.413 -10.111 -14.257 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.168 -11.526 -12.382 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.871 -10.409 -11.894 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.505 -12.128 -12.177 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.283 -12.378 -14.687 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.626 -13.021 -14.602 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.075 -11.887 -15.898 1.00 0.00 H new ATOM 699 N ASP A 47 3.505 -8.270 -13.589 1.00 0.00 N ATOM 700 CA ASP A 47 3.304 -7.085 -12.738 1.00 0.00 C ATOM 701 C ASP A 47 2.395 -6.057 -13.397 1.00 0.00 C ATOM 702 O ASP A 47 2.190 -4.967 -12.864 1.00 0.00 O ATOM 703 CB ASP A 47 4.661 -6.453 -12.352 1.00 0.00 C ATOM 704 CG ASP A 47 5.513 -6.062 -13.547 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.119 -6.331 -14.692 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.624 -5.540 -13.366 1.00 0.00 O ATOM 0 H ASP A 47 4.095 -8.111 -14.405 1.00 0.00 H new ATOM 0 HA ASP A 47 2.805 -7.419 -11.828 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.480 -5.569 -11.741 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.218 -7.158 -11.735 1.00 0.00 H new ATOM 711 N ASN A 48 1.846 -6.432 -14.547 1.00 0.00 N ATOM 712 CA ASN A 48 0.879 -5.622 -15.309 1.00 0.00 C ATOM 713 C ASN A 48 1.398 -4.234 -15.676 1.00 0.00 C ATOM 714 O ASN A 48 0.621 -3.288 -15.810 1.00 0.00 O ATOM 715 CB ASN A 48 -0.476 -5.536 -14.592 1.00 0.00 C ATOM 716 CG ASN A 48 -1.218 -6.860 -14.595 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.868 -7.225 -15.578 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.135 -7.586 -13.499 1.00 0.00 N ATOM 0 H ASN A 48 2.060 -7.325 -14.992 1.00 0.00 H new ATOM 0 HA ASN A 48 0.735 -6.149 -16.252 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.319 -5.213 -13.563 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.092 -4.777 -15.074 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.618 -8.483 -13.443 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.588 -7.251 -12.706 1.00 0.00 H new ATOM 725 N GLU A 49 2.693 -4.127 -15.888 1.00 0.00 N ATOM 726 CA GLU A 49 3.294 -2.891 -16.372 1.00 0.00 C ATOM 727 C GLU A 49 3.188 -2.827 -17.875 1.00 0.00 C ATOM 728 O GLU A 49 3.227 -3.858 -18.534 1.00 0.00 O ATOM 729 CB GLU A 49 4.761 -2.796 -15.949 1.00 0.00 C ATOM 730 CG GLU A 49 4.957 -2.529 -14.474 1.00 0.00 C ATOM 731 CD GLU A 49 4.433 -1.165 -14.091 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.928 -0.159 -14.639 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.510 -1.082 -13.262 1.00 0.00 O ATOM 0 H GLU A 49 3.358 -4.884 -15.733 1.00 0.00 H new ATOM 0 HA GLU A 49 2.756 -2.051 -15.934 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.265 -3.726 -16.210 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.243 -2.002 -16.519 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.444 -3.295 -13.892 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.017 -2.597 -14.227 1.00 0.00 H new ATOM 740 N ILE A 50 3.046 -1.629 -18.424 1.00 0.00 N ATOM 741 CA ILE A 50 2.955 -1.488 -19.868 1.00 0.00 C ATOM 742 C ILE A 50 4.278 -1.880 -20.503 1.00 0.00 C ATOM 743 O ILE A 50 5.327 -1.293 -20.214 1.00 0.00 O ATOM 744 CB ILE A 50 2.566 -0.050 -20.293 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.189 0.329 -19.726 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.578 0.099 -21.816 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.054 -0.569 -20.190 1.00 0.00 C ATOM 0 H ILE A 50 2.992 -0.755 -17.901 1.00 0.00 H new ATOM 0 HA ILE A 50 2.164 -2.152 -20.217 1.00 0.00 H new ATOM 0 HB ILE A 50 3.310 0.632 -19.882 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.237 0.301 -18.637 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.963 1.357 -20.009 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.301 1.119 -22.084 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.577 -0.117 -22.195 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.865 -0.598 -22.255 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.882 -0.232 -19.744 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.025 -0.524 -21.276 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.254 -1.596 -19.883 1.00 0.00 H new ATOM 759 N LEU A 51 4.226 -2.863 -21.356 1.00 0.00 N ATOM 760 CA LEU A 51 5.408 -3.415 -21.942 1.00 0.00 C ATOM 761 C LEU A 51 5.329 -3.323 -23.442 1.00 0.00 C ATOM 762 O LEU A 51 4.372 -3.789 -24.051 1.00 0.00 O ATOM 763 CB LEU A 51 5.579 -4.866 -21.498 1.00 0.00 C ATOM 764 CG LEU A 51 6.777 -5.617 -22.070 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.076 -4.974 -21.622 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.730 -7.068 -21.643 1.00 0.00 C ATOM 0 H LEU A 51 3.359 -3.303 -21.664 1.00 0.00 H new ATOM 0 HA LEU A 51 6.275 -2.846 -21.607 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.653 -4.883 -20.411 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.675 -5.413 -21.765 1.00 0.00 H new ATOM 0 HG LEU A 51 6.732 -5.568 -23.158 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.918 -5.525 -22.041 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.109 -3.941 -21.969 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.135 -4.993 -20.534 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.589 -7.597 -22.056 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.756 -7.128 -20.555 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.811 -7.526 -22.010 1.00 0.00 H new ATOM 778 N LEU A 52 6.329 -2.741 -24.033 1.00 0.00 N ATOM 779 CA LEU A 52 6.352 -2.558 -25.459 1.00 0.00 C ATOM 780 C LEU A 52 7.361 -3.498 -26.074 1.00 0.00 C ATOM 781 O LEU A 52 8.299 -3.934 -25.408 1.00 0.00 O ATOM 782 CB LEU A 52 6.678 -1.106 -25.840 1.00 0.00 C ATOM 783 CG LEU A 52 5.719 -0.002 -25.346 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.269 -0.346 -25.644 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.922 0.307 -23.868 1.00 0.00 C ATOM 0 H LEU A 52 7.150 -2.380 -23.546 1.00 0.00 H new ATOM 0 HA LEU A 52 5.358 -2.783 -25.846 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.675 -0.877 -25.465 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.725 -1.047 -26.927 1.00 0.00 H new ATOM 0 HG LEU A 52 5.963 0.903 -25.902 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.623 0.454 -25.282 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.136 -0.461 -26.720 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.006 -1.278 -25.144 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.228 1.089 -23.561 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.739 -0.592 -23.280 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.945 0.646 -23.704 1.00 0.00 H new ATOM 797 N GLU A 53 7.169 -3.806 -27.332 1.00 0.00 N ATOM 798 CA GLU A 53 8.021 -4.741 -28.047 1.00 0.00 C ATOM 799 C GLU A 53 9.431 -4.166 -28.188 1.00 0.00 C ATOM 800 O GLU A 53 10.428 -4.893 -28.126 1.00 0.00 O ATOM 801 CB GLU A 53 7.407 -5.039 -29.405 1.00 0.00 C ATOM 802 CG GLU A 53 6.073 -5.757 -29.296 1.00 0.00 C ATOM 803 CD GLU A 53 5.407 -6.001 -30.623 1.00 0.00 C ATOM 804 OE1 GLU A 53 6.091 -5.954 -31.666 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.186 -6.263 -30.634 1.00 0.00 O ATOM 0 H GLU A 53 6.415 -3.417 -27.898 1.00 0.00 H new ATOM 0 HA GLU A 53 8.098 -5.674 -27.488 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.270 -4.105 -29.951 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.098 -5.649 -29.986 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.225 -6.713 -28.795 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.405 -5.169 -28.667 1.00 0.00 H new ATOM 812 N ASN A 54 9.503 -2.853 -28.369 1.00 0.00 N ATOM 813 CA ASN A 54 10.783 -2.143 -28.438 1.00 0.00 C ATOM 814 C ASN A 54 11.480 -2.130 -27.070 1.00 0.00 C ATOM 815 O ASN A 54 12.691 -1.946 -26.982 1.00 0.00 O ATOM 816 CB ASN A 54 10.579 -0.704 -28.944 1.00 0.00 C ATOM 817 CG ASN A 54 9.803 0.177 -27.973 1.00 0.00 C ATOM 818 OD1 ASN A 54 8.573 0.180 -27.969 1.00 0.00 O ATOM 819 ND2 ASN A 54 10.509 0.942 -27.164 1.00 0.00 N ATOM 0 H ASN A 54 8.686 -2.251 -28.472 1.00 0.00 H new ATOM 0 HA ASN A 54 11.422 -2.674 -29.143 1.00 0.00 H new ATOM 0 HB2 ASN A 54 11.553 -0.252 -29.133 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.051 -0.734 -29.897 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.036 1.563 -26.507 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.528 0.913 -27.195 1.00 0.00 H new ATOM 826 N GLN A 55 10.701 -2.338 -26.015 1.00 0.00 N ATOM 827 CA GLN A 55 11.212 -2.336 -24.645 1.00 0.00 C ATOM 828 C GLN A 55 11.830 -3.674 -24.262 1.00 0.00 C ATOM 829 O GLN A 55 12.473 -3.790 -23.219 1.00 0.00 O ATOM 830 CB GLN A 55 10.121 -1.937 -23.650 1.00 0.00 C ATOM 831 CG GLN A 55 9.692 -0.482 -23.758 1.00 0.00 C ATOM 832 CD GLN A 55 10.795 0.475 -23.351 1.00 0.00 C ATOM 833 OE1 GLN A 55 11.619 0.875 -24.169 1.00 0.00 O ATOM 834 NE2 GLN A 55 10.807 0.854 -22.090 1.00 0.00 N ATOM 0 H GLN A 55 9.698 -2.513 -26.082 1.00 0.00 H new ATOM 0 HA GLN A 55 12.005 -1.589 -24.603 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.251 -2.575 -23.805 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.479 -2.126 -22.638 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.390 -0.270 -24.784 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.819 -0.315 -23.128 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.103 0.497 -21.444 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.520 1.504 -21.760 1.00 0.00 H new ATOM 843 N LEU A 56 11.617 -4.681 -25.086 1.00 0.00 N ATOM 844 CA LEU A 56 12.228 -5.980 -24.856 1.00 0.00 C ATOM 845 C LEU A 56 13.700 -5.906 -25.214 1.00 0.00 C ATOM 846 O LEU A 56 14.065 -5.206 -26.169 1.00 0.00 O ATOM 847 CB LEU A 56 11.533 -7.056 -25.690 1.00 0.00 C ATOM 848 CG LEU A 56 10.049 -7.270 -25.397 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.475 -8.314 -26.327 1.00 0.00 C ATOM 850 CD2 LEU A 56 9.842 -7.678 -23.947 1.00 0.00 C ATOM 0 H LEU A 56 11.029 -4.628 -25.918 1.00 0.00 H new ATOM 0 HA LEU A 56 12.121 -6.247 -23.805 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.642 -6.799 -26.744 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.054 -8.001 -25.536 1.00 0.00 H new ATOM 0 HG LEU A 56 9.526 -6.329 -25.565 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.417 -8.456 -26.106 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.589 -7.984 -27.359 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.004 -9.257 -26.187 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.779 -7.825 -23.759 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.378 -8.607 -23.750 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.221 -6.895 -23.291 1.00 0.00 H new