USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=11 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 -81:sc= 2.01 USER MOD Set 1.2: A 24 CYS SG : rot 32:sc= 2.96 USER MOD Set 1.3: A 26 HIS : no HE2:sc= 0.658 K(o=5.6,f=-3.4!) USER MOD Set 1.4: A 44 CYS SG : rot -157:sc= -0.0723 USER MOD Set 2.1: A 9 CYS SG : rot -162:sc= -0.466 USER MOD Set 2.2: A 12 CYS SG : rot -70:sc= -1.59! USER MOD Set 2.3: A 14 MET CE :methyl 140:sc= -0.6 (180deg=-1.85!) USER MOD Set 2.4: A 29 CYS SG : rot 180:sc= 0.398 USER MOD Set 2.5: A 32 CYS SG : rot 125:sc= -0.746 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -178:sc= 1.09 (180deg=1.07) USER MOD Single : A 36 SER OG : rot 90:sc= 1.17 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0174 X(o=-0.017,f=0.13) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 55 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 13.924 -19.120 -16.247 1.00 0.00 N ATOM 105 CA GLU A 8 12.591 -19.601 -16.419 1.00 0.00 C ATOM 106 C GLU A 8 11.685 -18.474 -16.864 1.00 0.00 C ATOM 107 O GLU A 8 11.575 -17.447 -16.180 1.00 0.00 O ATOM 108 CB GLU A 8 12.111 -20.185 -15.095 1.00 0.00 C ATOM 109 CG GLU A 8 10.746 -20.847 -15.124 1.00 0.00 C ATOM 110 CD GLU A 8 10.386 -21.422 -13.778 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.924 -20.664 -12.900 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.589 -22.634 -13.573 1.00 0.00 O ATOM 0 HA GLU A 8 12.569 -20.374 -17.187 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.843 -20.918 -14.756 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.092 -19.387 -14.353 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.993 -20.118 -15.424 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.739 -21.639 -15.873 1.00 0.00 H new ATOM 119 N CYS A 9 11.076 -18.650 -18.014 1.00 0.00 N ATOM 120 CA CYS A 9 10.084 -17.737 -18.519 1.00 0.00 C ATOM 121 C CYS A 9 8.786 -18.000 -17.784 1.00 0.00 C ATOM 122 O CYS A 9 8.234 -19.080 -17.898 1.00 0.00 O ATOM 123 CB CYS A 9 9.899 -18.003 -20.019 1.00 0.00 C ATOM 124 SG CYS A 9 8.557 -17.100 -20.865 1.00 0.00 S ATOM 0 H CYS A 9 11.260 -19.442 -18.630 1.00 0.00 H new ATOM 0 HA CYS A 9 10.389 -16.701 -18.370 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.836 -17.766 -20.523 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.726 -19.071 -20.154 1.00 0.00 H new ATOM 0 HG CYS A 9 8.284 -17.685 -21.993 1.00 0.00 H new ATOM 129 N PRO A 10 8.284 -17.031 -17.013 1.00 0.00 N ATOM 130 CA PRO A 10 7.064 -17.221 -16.219 1.00 0.00 C ATOM 131 C PRO A 10 5.840 -17.537 -17.086 1.00 0.00 C ATOM 132 O PRO A 10 4.853 -18.104 -16.599 1.00 0.00 O ATOM 133 CB PRO A 10 6.878 -15.861 -15.534 1.00 0.00 C ATOM 134 CG PRO A 10 8.233 -15.250 -15.535 1.00 0.00 C ATOM 135 CD PRO A 10 8.877 -15.699 -16.810 1.00 0.00 C ATOM 0 HA PRO A 10 7.156 -18.063 -15.533 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.163 -15.240 -16.074 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.497 -15.977 -14.520 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.173 -14.163 -15.488 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.810 -15.575 -14.669 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.654 -15.025 -17.637 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.962 -15.747 -16.722 1.00 0.00 H new ATOM 143 N ILE A 11 5.907 -17.188 -18.364 1.00 0.00 N ATOM 144 CA ILE A 11 4.824 -17.471 -19.279 1.00 0.00 C ATOM 145 C ILE A 11 4.662 -18.983 -19.505 1.00 0.00 C ATOM 146 O ILE A 11 3.553 -19.509 -19.448 1.00 0.00 O ATOM 147 CB ILE A 11 4.997 -16.736 -20.636 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.862 -15.229 -20.428 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.960 -17.220 -21.651 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.189 -14.406 -21.656 1.00 0.00 C ATOM 0 H ILE A 11 6.703 -16.708 -18.785 1.00 0.00 H new ATOM 0 HA ILE A 11 3.915 -17.092 -18.812 1.00 0.00 H new ATOM 0 HB ILE A 11 5.989 -16.959 -21.028 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.842 -15.006 -20.115 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.519 -14.925 -19.614 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.100 -16.692 -22.594 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.082 -18.291 -21.813 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.958 -17.023 -21.270 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.069 -13.347 -21.427 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.218 -14.598 -21.959 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.515 -14.680 -22.468 1.00 0.00 H new ATOM 162 N CYS A 12 5.772 -19.678 -19.717 1.00 0.00 N ATOM 163 CA CYS A 12 5.720 -21.096 -20.062 1.00 0.00 C ATOM 164 C CYS A 12 6.209 -21.985 -18.923 1.00 0.00 C ATOM 165 O CYS A 12 5.864 -23.169 -18.856 1.00 0.00 O ATOM 166 CB CYS A 12 6.532 -21.360 -21.327 1.00 0.00 C ATOM 167 SG CYS A 12 8.242 -20.725 -21.274 1.00 0.00 S ATOM 0 H CYS A 12 6.713 -19.289 -19.657 1.00 0.00 H new ATOM 0 HA CYS A 12 4.675 -21.349 -20.243 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.562 -22.435 -21.507 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.017 -20.909 -22.175 1.00 0.00 H new ATOM 0 HG CYS A 12 8.224 -19.426 -21.320 1.00 0.00 H new ATOM 172 N LEU A 13 7.005 -21.401 -18.032 1.00 0.00 N ATOM 173 CA LEU A 13 7.624 -22.096 -16.896 1.00 0.00 C ATOM 174 C LEU A 13 8.517 -23.253 -17.346 1.00 0.00 C ATOM 175 O LEU A 13 8.792 -24.177 -16.575 1.00 0.00 O ATOM 176 CB LEU A 13 6.563 -22.584 -15.906 1.00 0.00 C ATOM 177 CG LEU A 13 5.711 -21.491 -15.246 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.650 -22.107 -14.356 1.00 0.00 C ATOM 179 CD2 LEU A 13 6.589 -20.539 -14.449 1.00 0.00 C ATOM 0 H LEU A 13 7.246 -20.411 -18.076 1.00 0.00 H new ATOM 0 HA LEU A 13 8.262 -21.372 -16.389 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.897 -23.272 -16.426 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.060 -23.154 -15.121 1.00 0.00 H new ATOM 0 HG LEU A 13 5.212 -20.923 -16.032 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.056 -21.316 -13.897 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.001 -22.748 -14.953 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.128 -22.700 -13.577 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.968 -19.771 -13.988 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.116 -21.094 -13.673 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.313 -20.069 -15.114 1.00 0.00 H new ATOM 191 N MET A 14 8.988 -23.193 -18.588 1.00 0.00 N ATOM 192 CA MET A 14 9.909 -24.199 -19.095 1.00 0.00 C ATOM 193 C MET A 14 11.348 -23.722 -18.947 1.00 0.00 C ATOM 194 O MET A 14 12.119 -24.272 -18.166 1.00 0.00 O ATOM 195 CB MET A 14 9.623 -24.542 -20.564 1.00 0.00 C ATOM 196 CG MET A 14 8.282 -25.221 -20.808 1.00 0.00 C ATOM 197 SD MET A 14 8.043 -25.707 -22.532 1.00 0.00 S ATOM 198 CE MET A 14 7.866 -24.113 -23.332 1.00 0.00 C ATOM 0 H MET A 14 8.747 -22.462 -19.257 1.00 0.00 H new ATOM 0 HA MET A 14 9.764 -25.103 -18.503 1.00 0.00 H new ATOM 0 HB2 MET A 14 9.663 -23.625 -21.152 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.417 -25.192 -20.933 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.207 -26.104 -20.173 1.00 0.00 H new ATOM 0 HG3 MET A 14 7.479 -24.546 -20.512 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.392 -24.124 -24.286 1.00 0.00 H new ATOM 0 HE2 MET A 14 6.809 -23.907 -23.503 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.288 -23.337 -22.694 1.00 0.00 H new ATOM 208 N ALA A 15 11.689 -22.685 -19.685 1.00 0.00 N ATOM 209 CA ALA A 15 13.024 -22.112 -19.689 1.00 0.00 C ATOM 210 C ALA A 15 12.958 -20.786 -20.410 1.00 0.00 C ATOM 211 O ALA A 15 11.867 -20.326 -20.722 1.00 0.00 O ATOM 212 CB ALA A 15 14.003 -23.048 -20.394 1.00 0.00 C ATOM 0 H ALA A 15 11.038 -22.208 -20.309 1.00 0.00 H new ATOM 0 HA ALA A 15 13.375 -21.970 -18.667 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.999 -22.604 -20.389 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.030 -24.006 -19.874 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.681 -23.203 -21.424 1.00 0.00 H new ATOM 218 N LEU A 16 14.095 -20.171 -20.658 1.00 0.00 N ATOM 219 CA LEU A 16 14.141 -18.943 -21.436 1.00 0.00 C ATOM 220 C LEU A 16 14.727 -19.212 -22.812 1.00 0.00 C ATOM 221 O LEU A 16 15.814 -19.772 -22.932 1.00 0.00 O ATOM 222 CB LEU A 16 15.010 -17.886 -20.728 1.00 0.00 C ATOM 223 CG LEU A 16 14.497 -17.333 -19.395 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.531 -16.416 -18.767 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.219 -16.560 -19.618 1.00 0.00 C ATOM 0 H LEU A 16 15.004 -20.499 -20.333 1.00 0.00 H new ATOM 0 HA LEU A 16 13.121 -18.571 -21.535 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.995 -18.319 -20.557 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.145 -17.048 -21.411 1.00 0.00 H new ATOM 0 HG LEU A 16 14.308 -18.171 -18.724 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.150 -16.032 -17.821 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.451 -16.973 -18.589 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.736 -15.584 -19.440 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.859 -16.169 -18.666 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.409 -15.732 -20.301 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.465 -17.220 -20.048 1.00 0.00 H new ATOM 237 N ARG A 17 14.001 -18.849 -23.851 1.00 0.00 N ATOM 238 CA ARG A 17 14.586 -18.850 -25.178 1.00 0.00 C ATOM 239 C ARG A 17 15.144 -17.474 -25.479 1.00 0.00 C ATOM 240 O ARG A 17 14.385 -16.500 -25.551 1.00 0.00 O ATOM 241 CB ARG A 17 13.597 -19.278 -26.268 1.00 0.00 C ATOM 242 CG ARG A 17 14.235 -19.339 -27.657 1.00 0.00 C ATOM 243 CD ARG A 17 15.320 -20.407 -27.711 1.00 0.00 C ATOM 244 NE ARG A 17 16.164 -20.318 -28.907 1.00 0.00 N ATOM 245 CZ ARG A 17 17.103 -21.222 -29.228 1.00 0.00 C ATOM 246 NH1 ARG A 17 17.242 -22.323 -28.496 1.00 0.00 N ATOM 247 NH2 ARG A 17 17.880 -21.030 -30.290 1.00 0.00 N ATOM 0 H ARG A 17 13.025 -18.555 -23.806 1.00 0.00 H new ATOM 0 HA ARG A 17 15.386 -19.590 -25.184 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.189 -20.257 -26.017 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.761 -18.579 -26.288 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.470 -19.554 -28.404 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.662 -18.368 -27.908 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.948 -20.322 -26.824 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.853 -21.391 -27.677 1.00 0.00 H new ATOM 0 HE ARG A 17 16.030 -19.523 -29.531 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.635 -22.480 -27.691 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.955 -23.010 -28.739 1.00 0.00 H new ATOM 0 HH21 ARG A 17 17.763 -20.194 -30.863 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.593 -21.719 -30.532 1.00 0.00 H new ATOM 261 N GLU A 18 16.465 -17.398 -25.623 1.00 0.00 N ATOM 262 CA GLU A 18 17.208 -16.152 -25.907 1.00 0.00 C ATOM 263 C GLU A 18 17.195 -15.168 -24.726 1.00 0.00 C ATOM 264 O GLU A 18 18.009 -14.252 -24.678 1.00 0.00 O ATOM 265 CB GLU A 18 16.688 -15.468 -27.182 1.00 0.00 C ATOM 266 CG GLU A 18 16.877 -16.294 -28.444 1.00 0.00 C ATOM 267 CD GLU A 18 18.332 -16.564 -28.753 1.00 0.00 C ATOM 268 OE1 GLU A 18 19.107 -15.595 -28.893 1.00 0.00 O ATOM 269 OE2 GLU A 18 18.712 -17.743 -28.875 1.00 0.00 O ATOM 0 H GLU A 18 17.071 -18.215 -25.545 1.00 0.00 H new ATOM 0 HA GLU A 18 18.245 -16.448 -26.067 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.627 -15.249 -27.058 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.199 -14.513 -27.305 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.351 -17.242 -28.334 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.422 -15.773 -29.286 1.00 0.00 H new ATOM 276 N ALA A 19 16.281 -15.392 -23.782 1.00 0.00 N ATOM 277 CA ALA A 19 16.145 -14.610 -22.556 1.00 0.00 C ATOM 278 C ALA A 19 16.095 -13.097 -22.803 1.00 0.00 C ATOM 279 O ALA A 19 17.111 -12.398 -22.676 1.00 0.00 O ATOM 280 CB ALA A 19 17.238 -14.965 -21.561 1.00 0.00 C ATOM 0 H ALA A 19 15.596 -16.144 -23.852 1.00 0.00 H new ATOM 0 HA ALA A 19 15.180 -14.879 -22.128 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.114 -14.369 -20.657 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.172 -16.024 -21.310 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.213 -14.757 -22.002 1.00 0.00 H new ATOM 286 N VAL A 20 14.918 -12.592 -23.140 1.00 0.00 N ATOM 287 CA VAL A 20 14.748 -11.163 -23.355 1.00 0.00 C ATOM 288 C VAL A 20 14.197 -10.497 -22.100 1.00 0.00 C ATOM 289 O VAL A 20 13.114 -10.835 -21.609 1.00 0.00 O ATOM 290 CB VAL A 20 13.887 -10.811 -24.604 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.559 -11.304 -25.875 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.476 -11.368 -24.504 1.00 0.00 C ATOM 0 H VAL A 20 14.072 -13.146 -23.270 1.00 0.00 H new ATOM 0 HA VAL A 20 15.741 -10.766 -23.566 1.00 0.00 H new ATOM 0 HB VAL A 20 13.808 -9.725 -24.641 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.941 -11.048 -26.736 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.536 -10.832 -25.976 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.682 -12.386 -25.825 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.914 -11.097 -25.398 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.519 -12.454 -24.418 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.983 -10.953 -23.625 1.00 0.00 H new ATOM 302 N GLN A 21 14.988 -9.616 -21.544 1.00 0.00 N ATOM 303 CA GLN A 21 14.631 -8.903 -20.343 1.00 0.00 C ATOM 304 C GLN A 21 13.727 -7.714 -20.665 1.00 0.00 C ATOM 305 O GLN A 21 13.887 -7.069 -21.706 1.00 0.00 O ATOM 306 CB GLN A 21 15.904 -8.450 -19.630 1.00 0.00 C ATOM 307 CG GLN A 21 15.687 -7.778 -18.285 1.00 0.00 C ATOM 308 CD GLN A 21 16.996 -7.436 -17.609 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.008 -8.111 -17.820 1.00 0.00 O ATOM 310 NE2 GLN A 21 16.994 -6.397 -16.805 1.00 0.00 N ATOM 0 H GLN A 21 15.906 -9.371 -21.915 1.00 0.00 H new ATOM 0 HA GLN A 21 14.072 -9.566 -19.683 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.549 -9.317 -19.485 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.440 -7.759 -20.281 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.101 -6.869 -18.423 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.106 -8.437 -17.639 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.135 -5.867 -16.659 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.851 -6.121 -16.327 1.00 0.00 H new ATOM 319 N THR A 22 12.768 -7.458 -19.803 1.00 0.00 N ATOM 320 CA THR A 22 11.937 -6.275 -19.896 1.00 0.00 C ATOM 321 C THR A 22 12.548 -5.160 -19.032 1.00 0.00 C ATOM 322 O THR A 22 13.394 -5.441 -18.180 1.00 0.00 O ATOM 323 CB THR A 22 10.521 -6.587 -19.374 1.00 0.00 C ATOM 324 OG1 THR A 22 10.597 -7.016 -18.005 1.00 0.00 O ATOM 325 CG2 THR A 22 9.874 -7.687 -20.202 1.00 0.00 C ATOM 0 H THR A 22 12.541 -8.065 -19.015 1.00 0.00 H new ATOM 0 HA THR A 22 11.881 -5.958 -20.937 1.00 0.00 H new ATOM 0 HB THR A 22 9.918 -5.682 -19.451 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.848 -7.963 -17.972 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.875 -7.892 -19.817 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.804 -7.366 -21.241 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.479 -8.592 -20.141 1.00 0.00 H new ATOM 333 N PRO A 23 12.137 -3.888 -19.228 1.00 0.00 N ATOM 334 CA PRO A 23 12.610 -2.760 -18.400 1.00 0.00 C ATOM 335 C PRO A 23 12.330 -2.986 -16.912 1.00 0.00 C ATOM 336 O PRO A 23 13.122 -2.587 -16.048 1.00 0.00 O ATOM 337 CB PRO A 23 11.790 -1.575 -18.913 1.00 0.00 C ATOM 338 CG PRO A 23 11.439 -1.947 -20.305 1.00 0.00 C ATOM 339 CD PRO A 23 11.210 -3.431 -20.286 1.00 0.00 C ATOM 0 HA PRO A 23 13.688 -2.618 -18.479 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.898 -1.416 -18.307 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.365 -0.650 -18.882 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.546 -1.418 -20.638 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.241 -1.684 -20.994 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.175 -3.678 -20.052 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.437 -3.888 -21.249 1.00 0.00 H new ATOM 347 N CYS A 24 11.215 -3.644 -16.617 1.00 0.00 N ATOM 348 CA CYS A 24 10.848 -3.962 -15.247 1.00 0.00 C ATOM 349 C CYS A 24 11.766 -5.032 -14.634 1.00 0.00 C ATOM 350 O CYS A 24 11.765 -5.239 -13.424 1.00 0.00 O ATOM 351 CB CYS A 24 9.364 -4.349 -15.140 1.00 0.00 C ATOM 352 SG CYS A 24 8.737 -5.400 -16.491 1.00 0.00 S ATOM 0 H CYS A 24 10.547 -3.969 -17.316 1.00 0.00 H new ATOM 0 HA CYS A 24 10.992 -3.056 -14.658 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.208 -4.868 -14.195 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.769 -3.437 -15.105 1.00 0.00 H new ATOM 0 HG CYS A 24 9.689 -6.177 -16.914 1.00 0.00 H new ATOM 357 N GLY A 25 12.531 -5.712 -15.476 1.00 0.00 N ATOM 358 CA GLY A 25 13.473 -6.698 -14.990 1.00 0.00 C ATOM 359 C GLY A 25 12.930 -8.106 -15.017 1.00 0.00 C ATOM 360 O GLY A 25 13.386 -8.970 -14.268 1.00 0.00 O ATOM 0 H GLY A 25 12.515 -5.598 -16.489 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.379 -6.654 -15.594 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.758 -6.445 -13.969 1.00 0.00 H new ATOM 364 N HIS A 26 11.955 -8.345 -15.856 1.00 0.00 N ATOM 365 CA HIS A 26 11.388 -9.669 -15.985 1.00 0.00 C ATOM 366 C HIS A 26 11.845 -10.268 -17.292 1.00 0.00 C ATOM 367 O HIS A 26 11.763 -9.626 -18.331 1.00 0.00 O ATOM 368 CB HIS A 26 9.864 -9.615 -15.903 1.00 0.00 C ATOM 369 CG HIS A 26 9.381 -9.125 -14.580 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.986 -7.820 -14.358 1.00 0.00 N ATOM 371 CD2 HIS A 26 9.275 -9.755 -13.388 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.666 -7.679 -13.085 1.00 0.00 C ATOM 373 NE2 HIS A 26 8.830 -8.832 -12.480 1.00 0.00 N ATOM 0 H HIS A 26 11.534 -7.641 -16.462 1.00 0.00 H new ATOM 0 HA HIS A 26 11.732 -10.298 -15.164 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.484 -8.963 -16.689 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.458 -10.609 -16.089 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.948 -7.084 -15.064 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.499 -10.793 -13.189 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.326 -6.766 -12.619 1.00 0.00 H new ATOM 380 N ARG A 27 12.353 -11.468 -17.253 1.00 0.00 N ATOM 381 CA ARG A 27 12.931 -12.043 -18.444 1.00 0.00 C ATOM 382 C ARG A 27 12.000 -13.108 -18.999 1.00 0.00 C ATOM 383 O ARG A 27 11.496 -13.960 -18.257 1.00 0.00 O ATOM 384 CB ARG A 27 14.309 -12.624 -18.124 1.00 0.00 C ATOM 385 CG ARG A 27 15.239 -11.593 -17.500 1.00 0.00 C ATOM 386 CD ARG A 27 16.611 -12.150 -17.186 1.00 0.00 C ATOM 387 NE ARG A 27 17.457 -12.259 -18.381 1.00 0.00 N ATOM 388 CZ ARG A 27 18.702 -12.750 -18.378 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.165 -13.389 -17.310 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.472 -12.612 -19.454 1.00 0.00 N ATOM 0 H ARG A 27 12.381 -12.063 -16.425 1.00 0.00 H new ATOM 0 HA ARG A 27 13.058 -11.270 -19.202 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.196 -13.468 -17.443 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.759 -13.010 -19.038 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.343 -10.747 -18.179 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.788 -11.213 -16.583 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.102 -11.509 -16.454 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.505 -13.133 -16.728 1.00 0.00 H new ATOM 0 HE ARG A 27 17.071 -11.940 -19.270 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.571 -13.507 -16.489 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.114 -13.762 -17.311 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.113 -12.133 -20.280 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.421 -12.986 -19.453 1.00 0.00 H new ATOM 404 N PHE A 28 11.770 -13.052 -20.283 1.00 0.00 N ATOM 405 CA PHE A 28 10.850 -13.952 -20.951 1.00 0.00 C ATOM 406 C PHE A 28 11.500 -14.498 -22.206 1.00 0.00 C ATOM 407 O PHE A 28 12.557 -14.015 -22.621 1.00 0.00 O ATOM 408 CB PHE A 28 9.554 -13.224 -21.329 1.00 0.00 C ATOM 409 CG PHE A 28 8.770 -12.673 -20.168 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.872 -13.471 -19.480 1.00 0.00 C ATOM 411 CD2 PHE A 28 8.926 -11.353 -19.771 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.145 -12.968 -18.419 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.203 -10.843 -18.712 1.00 0.00 C ATOM 414 CZ PHE A 28 7.309 -11.651 -18.034 1.00 0.00 C ATOM 0 H PHE A 28 12.216 -12.378 -20.905 1.00 0.00 H new ATOM 0 HA PHE A 28 10.608 -14.767 -20.270 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.800 -12.404 -22.004 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.917 -13.913 -21.884 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.738 -14.501 -19.777 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.622 -10.717 -20.297 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.449 -13.603 -17.891 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.335 -9.814 -18.413 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.741 -11.254 -17.206 1.00 0.00 H new ATOM 424 N CYS A 29 10.900 -15.510 -22.792 1.00 0.00 N ATOM 425 CA CYS A 29 11.380 -16.022 -24.048 1.00 0.00 C ATOM 426 C CYS A 29 11.069 -15.033 -25.153 1.00 0.00 C ATOM 427 O CYS A 29 10.046 -14.359 -25.119 1.00 0.00 O ATOM 428 CB CYS A 29 10.706 -17.345 -24.382 1.00 0.00 C ATOM 429 SG CYS A 29 10.968 -18.662 -23.163 1.00 0.00 S ATOM 0 H CYS A 29 10.082 -15.991 -22.418 1.00 0.00 H new ATOM 0 HA CYS A 29 12.456 -16.175 -23.965 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.635 -17.174 -24.487 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.070 -17.688 -25.350 1.00 0.00 H new ATOM 0 HG CYS A 29 10.349 -19.739 -23.548 1.00 0.00 H new ATOM 434 N LYS A 30 11.941 -14.994 -26.140 1.00 0.00 N ATOM 435 CA LYS A 30 11.822 -14.099 -27.284 1.00 0.00 C ATOM 436 C LYS A 30 10.621 -14.473 -28.180 1.00 0.00 C ATOM 437 O LYS A 30 10.293 -13.775 -29.136 1.00 0.00 O ATOM 438 CB LYS A 30 13.146 -14.090 -28.069 1.00 0.00 C ATOM 439 CG LYS A 30 13.186 -13.150 -29.264 1.00 0.00 C ATOM 440 CD LYS A 30 14.547 -13.162 -29.915 1.00 0.00 C ATOM 441 CE LYS A 30 14.597 -12.213 -31.100 1.00 0.00 C ATOM 442 NZ LYS A 30 15.953 -12.133 -31.684 1.00 0.00 N ATOM 0 H LYS A 30 12.767 -15.591 -26.175 1.00 0.00 H new ATOM 0 HA LYS A 30 11.627 -13.090 -26.922 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.952 -13.819 -27.387 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.350 -15.103 -28.417 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.429 -13.446 -29.990 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.941 -12.137 -28.943 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.305 -12.877 -29.185 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.786 -14.173 -30.245 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.892 -12.546 -31.862 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.279 -11.220 -30.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.946 -11.476 -32.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.621 -11.791 -30.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.247 -13.076 -32.009 1.00 0.00 H new ATOM 456 N ALA A 31 9.965 -15.564 -27.853 1.00 0.00 N ATOM 457 CA ALA A 31 8.804 -15.998 -28.602 1.00 0.00 C ATOM 458 C ALA A 31 7.555 -15.937 -27.721 1.00 0.00 C ATOM 459 O ALA A 31 6.485 -15.535 -28.179 1.00 0.00 O ATOM 460 CB ALA A 31 9.020 -17.407 -29.133 1.00 0.00 C ATOM 0 H ALA A 31 10.216 -16.169 -27.071 1.00 0.00 H new ATOM 0 HA ALA A 31 8.659 -15.329 -29.450 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.141 -17.723 -29.694 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.892 -17.420 -29.787 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.182 -18.089 -28.299 1.00 0.00 H new ATOM 466 N CYS A 32 7.695 -16.306 -26.448 1.00 0.00 N ATOM 467 CA CYS A 32 6.568 -16.280 -25.530 1.00 0.00 C ATOM 468 C CYS A 32 6.075 -14.862 -25.278 1.00 0.00 C ATOM 469 O CYS A 32 4.877 -14.603 -25.327 1.00 0.00 O ATOM 470 CB CYS A 32 6.930 -16.935 -24.194 1.00 0.00 C ATOM 471 SG CYS A 32 7.514 -18.653 -24.319 1.00 0.00 S ATOM 0 H CYS A 32 8.572 -16.623 -26.036 1.00 0.00 H new ATOM 0 HA CYS A 32 5.766 -16.846 -26.004 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.703 -16.338 -23.710 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.055 -16.910 -23.544 1.00 0.00 H new ATOM 0 HG CYS A 32 8.676 -18.759 -23.746 1.00 0.00 H new ATOM 476 N ILE A 33 6.997 -13.945 -25.025 1.00 0.00 N ATOM 477 CA ILE A 33 6.613 -12.591 -24.643 1.00 0.00 C ATOM 478 C ILE A 33 5.908 -11.854 -25.782 1.00 0.00 C ATOM 479 O ILE A 33 4.895 -11.207 -25.567 1.00 0.00 O ATOM 480 CB ILE A 33 7.803 -11.760 -24.085 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.309 -10.453 -23.458 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.849 -11.479 -25.158 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.397 -10.652 -22.263 1.00 0.00 C ATOM 0 H ILE A 33 8.003 -14.108 -25.076 1.00 0.00 H new ATOM 0 HA ILE A 33 5.899 -12.702 -23.827 1.00 0.00 H new ATOM 0 HB ILE A 33 8.280 -12.358 -23.309 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.171 -9.860 -23.151 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.779 -9.876 -24.215 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.664 -10.896 -24.728 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.240 -12.422 -25.541 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.392 -10.918 -25.973 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.089 -9.681 -21.875 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.516 -11.217 -22.568 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.929 -11.201 -21.486 1.00 0.00 H new ATOM 495 N ILE A 34 6.415 -12.013 -26.997 1.00 0.00 N ATOM 496 CA ILE A 34 5.851 -11.338 -28.157 1.00 0.00 C ATOM 497 C ILE A 34 4.422 -11.818 -28.401 1.00 0.00 C ATOM 498 O ILE A 34 3.511 -11.017 -28.599 1.00 0.00 O ATOM 499 CB ILE A 34 6.724 -11.546 -29.428 1.00 0.00 C ATOM 500 CG1 ILE A 34 8.068 -10.834 -29.254 1.00 0.00 C ATOM 501 CG2 ILE A 34 6.004 -11.028 -30.669 1.00 0.00 C ATOM 502 CD1 ILE A 34 9.066 -11.130 -30.355 1.00 0.00 C ATOM 0 H ILE A 34 7.219 -12.606 -27.205 1.00 0.00 H new ATOM 0 HA ILE A 34 5.836 -10.269 -27.946 1.00 0.00 H new ATOM 0 HB ILE A 34 6.900 -12.613 -29.561 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.896 -9.758 -29.213 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.501 -11.125 -28.297 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.633 -11.184 -31.546 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.065 -11.566 -30.796 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.800 -9.964 -30.553 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.993 -10.590 -30.161 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.269 -12.200 -30.384 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.655 -10.813 -31.314 1.00 0.00 H new ATOM 514 N LYS A 35 4.227 -13.122 -28.294 1.00 0.00 N ATOM 515 CA LYS A 35 2.945 -13.738 -28.578 1.00 0.00 C ATOM 516 C LYS A 35 1.982 -13.566 -27.395 1.00 0.00 C ATOM 517 O LYS A 35 0.828 -13.959 -27.457 1.00 0.00 O ATOM 518 CB LYS A 35 3.161 -15.232 -28.916 1.00 0.00 C ATOM 519 CG LYS A 35 1.892 -16.046 -29.175 1.00 0.00 C ATOM 520 CD LYS A 35 1.110 -15.525 -30.366 1.00 0.00 C ATOM 521 CE LYS A 35 -0.102 -16.398 -30.650 1.00 0.00 C ATOM 522 NZ LYS A 35 -1.082 -16.392 -29.526 1.00 0.00 N ATOM 0 H LYS A 35 4.952 -13.780 -28.008 1.00 0.00 H new ATOM 0 HA LYS A 35 2.490 -13.245 -29.437 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.798 -15.297 -29.798 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.706 -15.696 -28.094 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.160 -17.089 -29.346 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.259 -16.021 -28.288 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.788 -14.502 -30.174 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.755 -15.496 -31.244 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.593 -16.049 -31.559 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.226 -17.421 -30.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.874 -17.027 -29.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.614 -16.718 -28.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.442 -15.427 -29.385 1.00 0.00 H new ATOM 536 N SER A 36 2.452 -12.955 -26.335 1.00 0.00 N ATOM 537 CA SER A 36 1.595 -12.694 -25.202 1.00 0.00 C ATOM 538 C SER A 36 1.226 -11.209 -25.102 1.00 0.00 C ATOM 539 O SER A 36 0.208 -10.858 -24.508 1.00 0.00 O ATOM 540 CB SER A 36 2.257 -13.185 -23.917 1.00 0.00 C ATOM 541 OG SER A 36 2.573 -14.568 -24.025 1.00 0.00 O ATOM 0 H SER A 36 3.414 -12.631 -26.232 1.00 0.00 H new ATOM 0 HA SER A 36 0.666 -13.245 -25.347 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.163 -12.611 -23.724 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.590 -13.022 -23.070 1.00 0.00 H new ATOM 0 HG SER A 36 3.472 -14.670 -24.401 1.00 0.00 H new ATOM 547 N ILE A 37 2.010 -10.337 -25.736 1.00 0.00 N ATOM 548 CA ILE A 37 1.776 -8.904 -25.578 1.00 0.00 C ATOM 549 C ILE A 37 1.083 -8.299 -26.785 1.00 0.00 C ATOM 550 O ILE A 37 0.419 -7.279 -26.671 1.00 0.00 O ATOM 551 CB ILE A 37 3.078 -8.111 -25.283 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.097 -8.274 -26.423 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.672 -8.530 -23.947 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.334 -7.416 -26.268 1.00 0.00 C ATOM 0 H ILE A 37 2.789 -10.587 -26.345 1.00 0.00 H new ATOM 0 HA ILE A 37 1.119 -8.817 -24.713 1.00 0.00 H new ATOM 0 HB ILE A 37 2.823 -7.053 -25.220 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.398 -9.320 -26.481 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.613 -8.028 -27.368 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.583 -7.962 -23.760 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.953 -8.334 -23.152 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.906 -9.594 -23.971 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.004 -7.587 -27.111 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.047 -6.365 -26.241 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.844 -7.677 -25.341 1.00 0.00 H new ATOM 566 N ARG A 38 1.214 -8.921 -27.933 1.00 0.00 N ATOM 567 CA ARG A 38 0.504 -8.436 -29.107 1.00 0.00 C ATOM 568 C ARG A 38 -0.742 -9.264 -29.341 1.00 0.00 C ATOM 569 O ARG A 38 -1.434 -9.110 -30.339 1.00 0.00 O ATOM 570 CB ARG A 38 1.409 -8.386 -30.341 1.00 0.00 C ATOM 571 CG ARG A 38 1.897 -9.730 -30.843 1.00 0.00 C ATOM 572 CD ARG A 38 2.888 -9.551 -31.977 1.00 0.00 C ATOM 573 NE ARG A 38 2.283 -8.959 -33.175 1.00 0.00 N ATOM 574 CZ ARG A 38 2.883 -8.049 -33.954 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.044 -7.511 -33.591 1.00 0.00 N ATOM 576 NH2 ARG A 38 2.302 -7.656 -35.082 1.00 0.00 N ATOM 0 H ARG A 38 1.792 -9.748 -28.085 1.00 0.00 H new ATOM 0 HA ARG A 38 0.193 -7.408 -28.921 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.868 -7.890 -31.147 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.276 -7.767 -30.110 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.366 -10.280 -30.027 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.050 -10.326 -31.184 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.708 -8.918 -31.639 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.318 -10.519 -32.234 1.00 0.00 H new ATOM 0 HE ARG A 38 1.343 -9.260 -33.432 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.484 -7.791 -32.714 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.495 -6.819 -34.189 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.400 -8.047 -35.354 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.758 -6.963 -35.676 1.00 0.00 H new ATOM 590 N ASP A 39 -1.023 -10.134 -28.382 1.00 0.00 N ATOM 591 CA ASP A 39 -2.161 -11.036 -28.456 1.00 0.00 C ATOM 592 C ASP A 39 -3.148 -10.700 -27.352 1.00 0.00 C ATOM 593 O ASP A 39 -4.311 -10.397 -27.619 1.00 0.00 O ATOM 594 CB ASP A 39 -1.669 -12.474 -28.277 1.00 0.00 C ATOM 595 CG ASP A 39 -2.754 -13.522 -28.403 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.600 -13.638 -27.498 1.00 0.00 O ATOM 597 OD2 ASP A 39 -2.743 -14.270 -29.401 1.00 0.00 O ATOM 0 H ASP A 39 -0.469 -10.234 -27.532 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.652 -10.930 -29.423 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.896 -12.677 -29.019 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.202 -12.567 -27.296 1.00 0.00 H new ATOM 602 N ALA A 40 -2.676 -10.723 -26.108 1.00 0.00 N ATOM 603 CA ALA A 40 -3.526 -10.411 -24.969 1.00 0.00 C ATOM 604 C ALA A 40 -3.537 -8.917 -24.707 1.00 0.00 C ATOM 605 O ALA A 40 -4.564 -8.254 -24.893 1.00 0.00 O ATOM 606 CB ALA A 40 -3.068 -11.170 -23.732 1.00 0.00 C ATOM 0 H ALA A 40 -1.712 -10.954 -25.867 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.543 -10.726 -25.204 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.717 -10.922 -22.892 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.116 -12.242 -23.924 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.042 -10.890 -23.493 1.00 0.00 H new ATOM 612 N GLY A 41 -2.404 -8.392 -24.283 1.00 0.00 N ATOM 613 CA GLY A 41 -2.270 -6.978 -24.036 1.00 0.00 C ATOM 614 C GLY A 41 -0.819 -6.607 -23.896 1.00 0.00 C ATOM 615 O GLY A 41 0.005 -7.466 -23.591 1.00 0.00 O ATOM 0 H GLY A 41 -1.558 -8.933 -24.102 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.719 -6.415 -24.854 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.811 -6.708 -23.129 1.00 0.00 H new ATOM 619 N HIS A 42 -0.495 -5.345 -24.088 1.00 0.00 N ATOM 620 CA HIS A 42 0.898 -4.913 -24.044 1.00 0.00 C ATOM 621 C HIS A 42 1.345 -4.592 -22.636 1.00 0.00 C ATOM 622 O HIS A 42 1.627 -3.437 -22.293 1.00 0.00 O ATOM 623 CB HIS A 42 1.168 -3.739 -24.984 1.00 0.00 C ATOM 624 CG HIS A 42 1.098 -4.103 -26.425 1.00 0.00 C ATOM 625 ND1 HIS A 42 -0.051 -4.029 -27.169 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.054 -4.560 -27.266 1.00 0.00 C ATOM 627 CE1 HIS A 42 0.193 -4.425 -28.396 1.00 0.00 C ATOM 628 NE2 HIS A 42 1.464 -4.751 -28.481 1.00 0.00 N ATOM 0 H HIS A 42 -1.167 -4.601 -24.275 1.00 0.00 H new ATOM 0 HA HIS A 42 1.492 -5.756 -24.396 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.445 -2.949 -24.782 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.155 -3.331 -24.768 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.090 -4.740 -27.021 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -0.527 -4.475 -29.199 1.00 0.00 H new ATOM 0 HE2 HIS A 42 1.933 -5.092 -29.320 1.00 0.00 H new ATOM 637 N LYS A 43 1.362 -5.610 -21.817 1.00 0.00 N ATOM 638 CA LYS A 43 1.821 -5.507 -20.462 1.00 0.00 C ATOM 639 C LYS A 43 2.308 -6.860 -19.994 1.00 0.00 C ATOM 640 O LYS A 43 1.822 -7.886 -20.475 1.00 0.00 O ATOM 641 CB LYS A 43 0.710 -4.949 -19.561 1.00 0.00 C ATOM 642 CG LYS A 43 -0.550 -5.802 -19.481 1.00 0.00 C ATOM 643 CD LYS A 43 -1.590 -5.149 -18.584 1.00 0.00 C ATOM 644 CE LYS A 43 -2.082 -3.840 -19.190 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.135 -3.198 -18.373 1.00 0.00 N ATOM 0 H LYS A 43 1.053 -6.546 -22.078 1.00 0.00 H new ATOM 0 HA LYS A 43 2.656 -4.809 -20.406 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.109 -4.824 -18.554 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.436 -3.957 -19.921 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.963 -5.943 -20.480 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.301 -6.791 -19.096 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.431 -5.828 -18.441 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.161 -4.961 -17.600 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.241 -3.154 -19.297 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.469 -4.030 -20.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.435 -2.312 -18.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.950 -3.839 -18.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.761 -2.991 -17.425 1.00 0.00 H new ATOM 659 N CYS A 44 3.266 -6.877 -19.089 1.00 0.00 N ATOM 660 CA CYS A 44 3.789 -8.122 -18.579 1.00 0.00 C ATOM 661 C CYS A 44 2.759 -8.833 -17.685 1.00 0.00 C ATOM 662 O CYS A 44 2.114 -8.208 -16.845 1.00 0.00 O ATOM 663 CB CYS A 44 5.129 -7.891 -17.870 1.00 0.00 C ATOM 664 SG CYS A 44 5.225 -6.322 -16.954 1.00 0.00 S ATOM 0 H CYS A 44 3.696 -6.041 -18.693 1.00 0.00 H new ATOM 0 HA CYS A 44 3.981 -8.791 -19.418 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.309 -8.714 -17.179 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.929 -7.916 -18.610 1.00 0.00 H new ATOM 0 HG CYS A 44 6.471 -5.982 -16.805 1.00 0.00 H new ATOM 669 N PRO A 45 2.596 -10.152 -17.868 1.00 0.00 N ATOM 670 CA PRO A 45 1.528 -10.929 -17.215 1.00 0.00 C ATOM 671 C PRO A 45 1.606 -10.946 -15.683 1.00 0.00 C ATOM 672 O PRO A 45 0.596 -11.150 -15.011 1.00 0.00 O ATOM 673 CB PRO A 45 1.718 -12.346 -17.783 1.00 0.00 C ATOM 674 CG PRO A 45 3.140 -12.380 -18.232 1.00 0.00 C ATOM 675 CD PRO A 45 3.429 -11.003 -18.744 1.00 0.00 C ATOM 0 HA PRO A 45 0.551 -10.489 -17.417 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.522 -13.106 -17.027 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.035 -12.537 -18.611 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.806 -12.641 -17.409 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.288 -13.128 -19.011 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.487 -10.754 -18.663 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.155 -10.895 -19.794 1.00 0.00 H new ATOM 683 N VAL A 46 2.789 -10.727 -15.134 1.00 0.00 N ATOM 684 CA VAL A 46 2.958 -10.806 -13.687 1.00 0.00 C ATOM 685 C VAL A 46 2.758 -9.462 -12.967 1.00 0.00 C ATOM 686 O VAL A 46 1.922 -9.354 -12.067 1.00 0.00 O ATOM 687 CB VAL A 46 4.303 -11.469 -13.280 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.257 -12.969 -13.543 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.474 -10.846 -14.037 1.00 0.00 C ATOM 0 H VAL A 46 3.635 -10.497 -15.655 1.00 0.00 H new ATOM 0 HA VAL A 46 2.153 -11.457 -13.347 1.00 0.00 H new ATOM 0 HB VAL A 46 4.451 -11.297 -12.214 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.207 -13.419 -13.253 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.451 -13.416 -12.961 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.081 -13.147 -14.604 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.402 -11.329 -13.732 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.328 -10.983 -15.109 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.528 -9.781 -13.811 1.00 0.00 H new ATOM 699 N ASP A 47 3.499 -8.440 -13.365 1.00 0.00 N ATOM 700 CA ASP A 47 3.437 -7.146 -12.682 1.00 0.00 C ATOM 701 C ASP A 47 2.637 -6.103 -13.461 1.00 0.00 C ATOM 702 O ASP A 47 2.560 -4.947 -13.052 1.00 0.00 O ATOM 703 CB ASP A 47 4.852 -6.629 -12.385 1.00 0.00 C ATOM 704 CG ASP A 47 5.736 -6.558 -13.613 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.842 -7.545 -14.360 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.366 -5.526 -13.861 1.00 0.00 O ATOM 0 H ASP A 47 4.148 -8.475 -14.151 1.00 0.00 H new ATOM 0 HA ASP A 47 2.909 -7.309 -11.743 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.782 -5.637 -11.939 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.321 -7.279 -11.646 1.00 0.00 H new ATOM 711 N ASN A 48 2.039 -6.535 -14.569 1.00 0.00 N ATOM 712 CA ASN A 48 1.105 -5.735 -15.404 1.00 0.00 C ATOM 713 C ASN A 48 1.626 -4.345 -15.813 1.00 0.00 C ATOM 714 O ASN A 48 0.842 -3.403 -15.995 1.00 0.00 O ATOM 715 CB ASN A 48 -0.334 -5.665 -14.816 1.00 0.00 C ATOM 716 CG ASN A 48 -0.481 -4.838 -13.546 1.00 0.00 C ATOM 717 OD1 ASN A 48 -0.670 -3.620 -13.599 1.00 0.00 O ATOM 718 ND2 ASN A 48 -0.450 -5.486 -12.404 1.00 0.00 N ATOM 0 H ASN A 48 2.186 -7.476 -14.933 1.00 0.00 H new ATOM 0 HA ASN A 48 1.047 -6.300 -16.334 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.999 -5.254 -15.576 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.674 -6.680 -14.610 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.584 -4.982 -11.528 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.292 -6.494 -12.393 1.00 0.00 H new ATOM 725 N GLU A 49 2.923 -4.229 -16.032 1.00 0.00 N ATOM 726 CA GLU A 49 3.503 -2.962 -16.472 1.00 0.00 C ATOM 727 C GLU A 49 3.421 -2.879 -17.979 1.00 0.00 C ATOM 728 O GLU A 49 3.522 -3.901 -18.652 1.00 0.00 O ATOM 729 CB GLU A 49 4.960 -2.845 -16.020 1.00 0.00 C ATOM 730 CG GLU A 49 5.133 -2.798 -14.512 1.00 0.00 C ATOM 731 CD GLU A 49 4.505 -1.585 -13.862 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.325 -0.545 -14.538 1.00 0.00 O ATOM 733 OE2 GLU A 49 4.210 -1.647 -12.648 1.00 0.00 O ATOM 0 H GLU A 49 3.595 -4.987 -15.915 1.00 0.00 H new ATOM 0 HA GLU A 49 2.943 -2.140 -16.025 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.522 -3.692 -16.414 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.394 -1.944 -16.454 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.697 -3.698 -14.078 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.197 -2.814 -14.277 1.00 0.00 H new ATOM 740 N ILE A 50 3.246 -1.677 -18.508 1.00 0.00 N ATOM 741 CA ILE A 50 3.078 -1.500 -19.948 1.00 0.00 C ATOM 742 C ILE A 50 4.357 -1.893 -20.665 1.00 0.00 C ATOM 743 O ILE A 50 5.422 -1.312 -20.441 1.00 0.00 O ATOM 744 CB ILE A 50 2.720 -0.031 -20.306 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.400 0.386 -19.641 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.640 0.160 -21.822 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.200 -0.420 -20.084 1.00 0.00 C ATOM 0 H ILE A 50 3.216 -0.812 -17.968 1.00 0.00 H new ATOM 0 HA ILE A 50 2.255 -2.139 -20.268 1.00 0.00 H new ATOM 0 HB ILE A 50 3.515 0.610 -19.924 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.506 0.294 -18.560 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.215 1.439 -19.855 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.388 1.197 -22.045 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.603 -0.084 -22.271 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.872 -0.496 -22.231 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.690 -0.061 -19.567 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.064 -0.309 -21.160 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.360 -1.471 -19.845 1.00 0.00 H new ATOM 759 N LEU A 51 4.240 -2.864 -21.534 1.00 0.00 N ATOM 760 CA LEU A 51 5.380 -3.429 -22.198 1.00 0.00 C ATOM 761 C LEU A 51 5.272 -3.274 -23.699 1.00 0.00 C ATOM 762 O LEU A 51 4.245 -3.591 -24.303 1.00 0.00 O ATOM 763 CB LEU A 51 5.542 -4.896 -21.807 1.00 0.00 C ATOM 764 CG LEU A 51 6.746 -5.627 -22.393 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.046 -4.960 -21.969 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.729 -7.076 -21.949 1.00 0.00 C ATOM 0 H LEU A 51 3.349 -3.284 -21.800 1.00 0.00 H new ATOM 0 HA LEU A 51 6.269 -2.885 -21.878 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.603 -4.955 -20.720 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.640 -5.430 -22.105 1.00 0.00 H new ATOM 0 HG LEU A 51 6.685 -5.583 -23.480 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.889 -5.500 -22.400 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.057 -3.929 -22.321 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.124 -4.973 -20.882 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.590 -7.595 -22.369 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.772 -7.124 -20.861 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.813 -7.552 -22.297 1.00 0.00 H new ATOM 778 N LEU A 52 6.329 -2.782 -24.288 1.00 0.00 N ATOM 779 CA LEU A 52 6.388 -2.579 -25.713 1.00 0.00 C ATOM 780 C LEU A 52 7.408 -3.520 -26.312 1.00 0.00 C ATOM 781 O LEU A 52 8.348 -3.925 -25.637 1.00 0.00 O ATOM 782 CB LEU A 52 6.749 -1.119 -26.061 1.00 0.00 C ATOM 783 CG LEU A 52 5.745 -0.025 -25.658 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.331 -0.382 -26.089 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.816 0.296 -24.172 1.00 0.00 C ATOM 0 H LEU A 52 7.177 -2.509 -23.792 1.00 0.00 H new ATOM 0 HA LEU A 52 5.403 -2.786 -26.130 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.705 -0.888 -25.592 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.900 -1.057 -27.139 1.00 0.00 H new ATOM 0 HG LEU A 52 6.030 0.883 -26.190 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.648 0.412 -25.789 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.299 -0.498 -27.172 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.031 -1.317 -25.615 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.090 1.073 -23.933 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.591 -0.601 -23.595 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.818 0.646 -23.923 1.00 0.00 H new ATOM 797 N GLU A 53 7.221 -3.859 -27.574 1.00 0.00 N ATOM 798 CA GLU A 53 8.115 -4.769 -28.276 1.00 0.00 C ATOM 799 C GLU A 53 9.500 -4.133 -28.413 1.00 0.00 C ATOM 800 O GLU A 53 10.518 -4.812 -28.314 1.00 0.00 O ATOM 801 CB GLU A 53 7.527 -5.129 -29.647 1.00 0.00 C ATOM 802 CG GLU A 53 6.269 -5.985 -29.557 1.00 0.00 C ATOM 803 CD GLU A 53 5.637 -6.271 -30.905 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.261 -5.308 -31.611 1.00 0.00 O ATOM 805 OE2 GLU A 53 5.515 -7.455 -31.282 1.00 0.00 O ATOM 0 H GLU A 53 6.448 -3.514 -28.143 1.00 0.00 H new ATOM 0 HA GLU A 53 8.220 -5.691 -27.703 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.296 -4.211 -30.188 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.279 -5.661 -30.229 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.515 -6.930 -29.072 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.540 -5.481 -28.922 1.00 0.00 H new ATOM 812 N ASN A 54 9.518 -2.825 -28.620 1.00 0.00 N ATOM 813 CA ASN A 54 10.760 -2.047 -28.695 1.00 0.00 C ATOM 814 C ASN A 54 11.494 -2.073 -27.357 1.00 0.00 C ATOM 815 O ASN A 54 12.718 -2.006 -27.305 1.00 0.00 O ATOM 816 CB ASN A 54 10.456 -0.588 -29.051 1.00 0.00 C ATOM 817 CG ASN A 54 9.950 -0.388 -30.465 1.00 0.00 C ATOM 818 OD1 ASN A 54 10.229 -1.179 -31.367 1.00 0.00 O ATOM 819 ND2 ASN A 54 9.190 0.664 -30.665 1.00 0.00 N ATOM 0 H ASN A 54 8.674 -2.266 -28.742 1.00 0.00 H new ATOM 0 HA ASN A 54 11.385 -2.496 -29.466 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.713 -0.202 -28.353 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.361 0.004 -28.913 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.809 0.849 -31.593 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.981 1.297 -29.893 1.00 0.00 H new ATOM 826 N GLN A 55 10.728 -2.165 -26.279 1.00 0.00 N ATOM 827 CA GLN A 55 11.266 -2.131 -24.919 1.00 0.00 C ATOM 828 C GLN A 55 11.893 -3.450 -24.486 1.00 0.00 C ATOM 829 O GLN A 55 12.513 -3.529 -23.427 1.00 0.00 O ATOM 830 CB GLN A 55 10.212 -1.664 -23.919 1.00 0.00 C ATOM 831 CG GLN A 55 9.841 -0.198 -24.070 1.00 0.00 C ATOM 832 CD GLN A 55 11.017 0.713 -23.785 1.00 0.00 C ATOM 833 OE1 GLN A 55 11.797 1.047 -24.683 1.00 0.00 O ATOM 834 NE2 GLN A 55 11.156 1.122 -22.545 1.00 0.00 N ATOM 0 H GLN A 55 9.714 -2.266 -26.319 1.00 0.00 H new ATOM 0 HA GLN A 55 12.076 -1.401 -24.931 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.315 -2.272 -24.038 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.581 -1.835 -22.908 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.478 -0.017 -25.082 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.023 0.042 -23.391 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.490 0.824 -21.832 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.930 1.738 -22.295 1.00 0.00 H new ATOM 843 N LEU A 56 11.724 -4.486 -25.289 1.00 0.00 N ATOM 844 CA LEU A 56 12.349 -5.758 -24.988 1.00 0.00 C ATOM 845 C LEU A 56 13.839 -5.664 -25.273 1.00 0.00 C ATOM 846 O LEU A 56 14.250 -5.202 -26.346 1.00 0.00 O ATOM 847 CB LEU A 56 11.733 -6.876 -25.842 1.00 0.00 C ATOM 848 CG LEU A 56 10.246 -7.150 -25.632 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.763 -8.227 -26.588 1.00 0.00 C ATOM 850 CD2 LEU A 56 9.973 -7.554 -24.192 1.00 0.00 C ATOM 0 H LEU A 56 11.167 -4.471 -26.143 1.00 0.00 H new ATOM 0 HA LEU A 56 12.186 -5.992 -23.936 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.890 -6.630 -26.892 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.281 -7.797 -25.645 1.00 0.00 H new ATOM 0 HG LEU A 56 9.696 -6.232 -25.840 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.701 -8.409 -26.424 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.921 -7.899 -27.615 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.320 -9.147 -26.411 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.908 -7.745 -24.063 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.535 -8.458 -23.955 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.281 -6.750 -23.524 1.00 0.00 H new