USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=12 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 143:sc= 1.31 USER MOD Set 1.2: A 24 CYS SG : rot -161:sc= 2.84 USER MOD Set 1.3: A 26 HIS : no HE2:sc= 0.732 K(o=6.6,f=-1.6!) USER MOD Set 1.4: A 44 CYS SG : rot 156:sc= 1.72 USER MOD Set 2.1: A 9 CYS SG : rot -161:sc= -0.247 USER MOD Set 2.2: A 12 CYS SG : rot -73:sc= 0.376 USER MOD Set 2.3: A 29 CYS SG : rot 129:sc= 1.26 USER MOD Set 2.4: A 32 CYS SG : rot -169:sc= -2.02! USER MOD Single : A 14 MET CE :methyl 142:sc= -0.684 (180deg=-1.52!) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 30 LYS NZ :NH3+ 170:sc= -0.0143 (180deg=-0.113) USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0751) USER MOD Single : A 36 SER OG : rot -83:sc= 0.746 USER MOD Single : A 42 HIS : no HD1:sc= 0.771 K(o=0.77,f=-5.2!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -1.15! K(o=-1.1!,f=-0.035) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 55 GLN : amide:sc= -1.21 K(o=-1.2,f=-8.5!) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 13.191 -17.431 -15.156 1.00 0.00 N ATOM 105 CA GLU A 8 12.491 -18.353 -16.009 1.00 0.00 C ATOM 106 C GLU A 8 11.263 -17.665 -16.541 1.00 0.00 C ATOM 107 O GLU A 8 10.656 -16.864 -15.836 1.00 0.00 O ATOM 108 CB GLU A 8 12.093 -19.598 -15.215 1.00 0.00 C ATOM 109 CG GLU A 8 11.366 -20.673 -16.009 1.00 0.00 C ATOM 110 CD GLU A 8 10.991 -21.852 -15.145 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.953 -21.792 -14.456 1.00 0.00 O ATOM 112 OE2 GLU A 8 11.738 -22.839 -15.127 1.00 0.00 O ATOM 0 HA GLU A 8 13.132 -18.662 -16.834 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.993 -20.036 -14.783 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.457 -19.291 -14.385 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.467 -20.249 -16.455 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.000 -21.010 -16.829 1.00 0.00 H new ATOM 119 N CYS A 9 10.920 -17.953 -17.772 1.00 0.00 N ATOM 120 CA CYS A 9 9.743 -17.406 -18.393 1.00 0.00 C ATOM 121 C CYS A 9 8.513 -18.166 -17.896 1.00 0.00 C ATOM 122 O CYS A 9 8.317 -19.330 -18.245 1.00 0.00 O ATOM 123 CB CYS A 9 9.893 -17.540 -19.911 1.00 0.00 C ATOM 124 SG CYS A 9 8.455 -17.042 -20.916 1.00 0.00 S ATOM 0 H CYS A 9 11.455 -18.579 -18.374 1.00 0.00 H new ATOM 0 HA CYS A 9 9.621 -16.353 -18.137 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.751 -16.944 -20.223 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.127 -18.580 -20.141 1.00 0.00 H new ATOM 0 HG CYS A 9 8.552 -17.566 -22.102 1.00 0.00 H new ATOM 129 N PRO A 10 7.674 -17.526 -17.052 1.00 0.00 N ATOM 130 CA PRO A 10 6.493 -18.170 -16.458 1.00 0.00 C ATOM 131 C PRO A 10 5.463 -18.555 -17.509 1.00 0.00 C ATOM 132 O PRO A 10 4.604 -19.396 -17.270 1.00 0.00 O ATOM 133 CB PRO A 10 5.914 -17.079 -15.542 1.00 0.00 C ATOM 134 CG PRO A 10 7.043 -16.138 -15.315 1.00 0.00 C ATOM 135 CD PRO A 10 7.819 -16.136 -16.593 1.00 0.00 C ATOM 0 HA PRO A 10 6.752 -19.095 -15.942 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.068 -16.577 -16.011 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.555 -17.500 -14.603 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.680 -15.139 -15.074 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.663 -16.462 -14.479 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.413 -15.426 -17.314 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.863 -15.867 -16.434 1.00 0.00 H new ATOM 143 N ILE A 11 5.556 -17.929 -18.669 1.00 0.00 N ATOM 144 CA ILE A 11 4.630 -18.192 -19.749 1.00 0.00 C ATOM 145 C ILE A 11 4.794 -19.624 -20.271 1.00 0.00 C ATOM 146 O ILE A 11 3.808 -20.331 -20.493 1.00 0.00 O ATOM 147 CB ILE A 11 4.778 -17.157 -20.895 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.343 -15.774 -20.393 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.937 -17.560 -22.109 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.632 -14.646 -21.359 1.00 0.00 C ATOM 0 H ILE A 11 6.269 -17.232 -18.885 1.00 0.00 H new ATOM 0 HA ILE A 11 3.621 -18.090 -19.350 1.00 0.00 H new ATOM 0 HB ILE A 11 5.823 -17.124 -21.202 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.273 -15.795 -20.185 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.847 -15.567 -19.449 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.058 -16.818 -22.898 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.266 -18.534 -22.473 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.887 -17.616 -21.822 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.294 -13.703 -20.929 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.704 -14.595 -21.549 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.106 -14.826 -22.297 1.00 0.00 H new ATOM 162 N CYS A 12 6.037 -20.055 -20.444 1.00 0.00 N ATOM 163 CA CYS A 12 6.296 -21.400 -20.932 1.00 0.00 C ATOM 164 C CYS A 12 6.651 -22.346 -19.787 1.00 0.00 C ATOM 165 O CYS A 12 6.445 -23.563 -19.886 1.00 0.00 O ATOM 166 CB CYS A 12 7.403 -21.386 -21.985 1.00 0.00 C ATOM 167 SG CYS A 12 8.963 -20.631 -21.429 1.00 0.00 S ATOM 0 H CYS A 12 6.871 -19.499 -20.256 1.00 0.00 H new ATOM 0 HA CYS A 12 5.382 -21.769 -21.397 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.602 -22.411 -22.299 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.046 -20.847 -22.863 1.00 0.00 H new ATOM 0 HG CYS A 12 8.817 -19.342 -21.349 1.00 0.00 H new ATOM 172 N LEU A 13 7.187 -21.766 -18.709 1.00 0.00 N ATOM 173 CA LEU A 13 7.595 -22.492 -17.499 1.00 0.00 C ATOM 174 C LEU A 13 8.736 -23.467 -17.777 1.00 0.00 C ATOM 175 O LEU A 13 8.957 -24.409 -17.017 1.00 0.00 O ATOM 176 CB LEU A 13 6.397 -23.233 -16.883 1.00 0.00 C ATOM 177 CG LEU A 13 5.306 -22.352 -16.271 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.087 -23.187 -15.930 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.825 -21.647 -15.026 1.00 0.00 C ATOM 0 H LEU A 13 7.353 -20.761 -18.650 1.00 0.00 H new ATOM 0 HA LEU A 13 7.960 -21.753 -16.785 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.944 -23.855 -17.655 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.769 -23.905 -16.110 1.00 0.00 H new ATOM 0 HG LEU A 13 5.021 -21.597 -17.003 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.318 -22.548 -15.495 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.701 -23.654 -16.836 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.364 -23.960 -15.213 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.035 -21.025 -14.604 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.134 -22.389 -14.290 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.677 -21.021 -15.291 1.00 0.00 H new ATOM 191 N MET A 14 9.470 -23.226 -18.854 1.00 0.00 N ATOM 192 CA MET A 14 10.612 -24.062 -19.193 1.00 0.00 C ATOM 193 C MET A 14 11.913 -23.400 -18.778 1.00 0.00 C ATOM 194 O MET A 14 12.628 -23.899 -17.908 1.00 0.00 O ATOM 195 CB MET A 14 10.650 -24.389 -20.692 1.00 0.00 C ATOM 196 CG MET A 14 9.511 -25.269 -21.181 1.00 0.00 C ATOM 197 SD MET A 14 9.669 -25.699 -22.933 1.00 0.00 S ATOM 198 CE MET A 14 9.344 -24.116 -23.713 1.00 0.00 C ATOM 0 H MET A 14 9.296 -22.461 -19.506 1.00 0.00 H new ATOM 0 HA MET A 14 10.498 -24.996 -18.642 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.636 -23.455 -21.254 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.595 -24.883 -20.918 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.482 -26.183 -20.587 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.564 -24.754 -21.021 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.996 -23.996 -24.578 1.00 0.00 H new ATOM 0 HE2 MET A 14 8.303 -24.076 -24.035 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.535 -23.313 -23.001 1.00 0.00 H new ATOM 208 N ALA A 15 12.199 -22.271 -19.405 1.00 0.00 N ATOM 209 CA ALA A 15 13.428 -21.521 -19.207 1.00 0.00 C ATOM 210 C ALA A 15 13.327 -20.249 -20.017 1.00 0.00 C ATOM 211 O ALA A 15 12.254 -19.932 -20.519 1.00 0.00 O ATOM 212 CB ALA A 15 14.635 -22.339 -19.676 1.00 0.00 C ATOM 0 H ALA A 15 11.568 -21.841 -20.081 1.00 0.00 H new ATOM 0 HA ALA A 15 13.563 -21.296 -18.149 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.547 -21.763 -19.521 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.690 -23.266 -19.106 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.528 -22.571 -20.736 1.00 0.00 H new ATOM 218 N LEU A 16 14.415 -19.524 -20.135 1.00 0.00 N ATOM 219 CA LEU A 16 14.451 -18.351 -20.986 1.00 0.00 C ATOM 220 C LEU A 16 15.117 -18.698 -22.308 1.00 0.00 C ATOM 221 O LEU A 16 16.325 -18.917 -22.355 1.00 0.00 O ATOM 222 CB LEU A 16 15.237 -17.229 -20.298 1.00 0.00 C ATOM 223 CG LEU A 16 14.664 -16.700 -18.982 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.595 -15.669 -18.369 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.297 -16.092 -19.213 1.00 0.00 C ATOM 0 H LEU A 16 15.291 -19.724 -19.652 1.00 0.00 H new ATOM 0 HA LEU A 16 13.431 -18.014 -21.169 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.249 -17.588 -20.109 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.319 -16.394 -20.994 1.00 0.00 H new ATOM 0 HG LEU A 16 14.568 -17.536 -18.289 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.170 -15.305 -17.434 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.565 -16.126 -18.173 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.720 -14.835 -19.060 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.900 -15.719 -18.269 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.380 -15.268 -19.922 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.625 -16.850 -19.615 1.00 0.00 H new ATOM 237 N ARG A 17 14.330 -18.772 -23.374 1.00 0.00 N ATOM 238 CA ARG A 17 14.874 -19.078 -24.696 1.00 0.00 C ATOM 239 C ARG A 17 15.777 -17.956 -25.226 1.00 0.00 C ATOM 240 O ARG A 17 16.871 -18.218 -25.732 1.00 0.00 O ATOM 241 CB ARG A 17 13.744 -19.394 -25.687 1.00 0.00 C ATOM 242 CG ARG A 17 14.216 -19.669 -27.109 1.00 0.00 C ATOM 243 CD ARG A 17 15.115 -20.886 -27.213 1.00 0.00 C ATOM 244 NE ARG A 17 15.764 -20.947 -28.527 1.00 0.00 N ATOM 245 CZ ARG A 17 16.548 -21.936 -28.951 1.00 0.00 C ATOM 246 NH1 ARG A 17 16.757 -22.997 -28.191 1.00 0.00 N ATOM 247 NH2 ARG A 17 17.129 -21.859 -30.140 1.00 0.00 N ATOM 0 H ARG A 17 13.321 -18.626 -23.353 1.00 0.00 H new ATOM 0 HA ARG A 17 15.500 -19.964 -24.592 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.192 -20.262 -25.326 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.046 -18.557 -25.704 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.348 -19.810 -27.753 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.751 -18.796 -27.483 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.873 -20.851 -26.430 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.529 -21.791 -27.050 1.00 0.00 H new ATOM 0 HE ARG A 17 15.602 -20.170 -29.167 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.316 -23.062 -27.273 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.359 -23.751 -28.522 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.976 -21.042 -30.731 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.730 -22.617 -30.464 1.00 0.00 H new ATOM 261 N GLU A 18 15.327 -16.714 -25.108 1.00 0.00 N ATOM 262 CA GLU A 18 16.155 -15.581 -25.515 1.00 0.00 C ATOM 263 C GLU A 18 16.574 -14.748 -24.322 1.00 0.00 C ATOM 264 O GLU A 18 17.533 -13.978 -24.403 1.00 0.00 O ATOM 265 CB GLU A 18 15.437 -14.675 -26.529 1.00 0.00 C ATOM 266 CG GLU A 18 15.213 -15.276 -27.911 1.00 0.00 C ATOM 267 CD GLU A 18 14.130 -16.328 -27.952 1.00 0.00 C ATOM 268 OE1 GLU A 18 13.229 -16.311 -27.082 1.00 0.00 O ATOM 269 OE2 GLU A 18 14.168 -17.177 -28.874 1.00 0.00 O ATOM 0 H GLU A 18 14.409 -16.465 -24.740 1.00 0.00 H new ATOM 0 HA GLU A 18 17.039 -16.006 -25.990 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.469 -14.393 -26.115 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.015 -13.758 -26.641 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.957 -14.477 -28.607 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.147 -15.716 -28.261 1.00 0.00 H new ATOM 276 N ALA A 19 15.879 -14.939 -23.202 1.00 0.00 N ATOM 277 CA ALA A 19 16.091 -14.138 -21.997 1.00 0.00 C ATOM 278 C ALA A 19 15.991 -12.641 -22.301 1.00 0.00 C ATOM 279 O ALA A 19 16.961 -11.897 -22.158 1.00 0.00 O ATOM 280 CB ALA A 19 17.423 -14.477 -21.337 1.00 0.00 C ATOM 0 H ALA A 19 15.155 -15.651 -23.104 1.00 0.00 H new ATOM 0 HA ALA A 19 15.298 -14.387 -21.292 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.553 -13.866 -20.444 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.434 -15.531 -21.060 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.236 -14.277 -22.035 1.00 0.00 H new ATOM 286 N VAL A 20 14.820 -12.216 -22.742 1.00 0.00 N ATOM 287 CA VAL A 20 14.607 -10.827 -23.096 1.00 0.00 C ATOM 288 C VAL A 20 14.288 -9.986 -21.872 1.00 0.00 C ATOM 289 O VAL A 20 13.311 -10.239 -21.160 1.00 0.00 O ATOM 290 CB VAL A 20 13.539 -10.618 -24.213 1.00 0.00 C ATOM 291 CG1 VAL A 20 13.986 -11.263 -25.510 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.169 -11.141 -23.804 1.00 0.00 C ATOM 0 H VAL A 20 14.003 -12.814 -22.863 1.00 0.00 H new ATOM 0 HA VAL A 20 15.552 -10.485 -23.518 1.00 0.00 H new ATOM 0 HB VAL A 20 13.444 -9.543 -24.367 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.226 -11.105 -26.276 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.926 -10.816 -25.834 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.128 -12.333 -25.355 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.459 -10.973 -24.614 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.235 -12.209 -23.594 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.831 -10.616 -22.910 1.00 0.00 H new ATOM 302 N GLN A 21 15.149 -9.028 -21.607 1.00 0.00 N ATOM 303 CA GLN A 21 14.983 -8.120 -20.495 1.00 0.00 C ATOM 304 C GLN A 21 13.888 -7.112 -20.815 1.00 0.00 C ATOM 305 O GLN A 21 13.918 -6.454 -21.861 1.00 0.00 O ATOM 306 CB GLN A 21 16.312 -7.414 -20.208 1.00 0.00 C ATOM 307 CG GLN A 21 16.274 -6.414 -19.065 1.00 0.00 C ATOM 308 CD GLN A 21 17.642 -5.818 -18.770 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.672 -6.468 -18.953 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.664 -4.581 -18.327 1.00 0.00 N ATOM 0 H GLN A 21 15.988 -8.857 -22.161 1.00 0.00 H new ATOM 0 HA GLN A 21 14.688 -8.676 -19.605 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.066 -8.169 -19.986 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.634 -6.898 -21.112 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.577 -5.613 -19.310 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.894 -6.905 -18.169 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.790 -4.074 -18.188 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.555 -4.128 -18.123 1.00 0.00 H new ATOM 319 N THR A 22 12.921 -7.017 -19.932 1.00 0.00 N ATOM 320 CA THR A 22 11.783 -6.151 -20.118 1.00 0.00 C ATOM 321 C THR A 22 12.027 -4.807 -19.428 1.00 0.00 C ATOM 322 O THR A 22 12.942 -4.696 -18.607 1.00 0.00 O ATOM 323 CB THR A 22 10.520 -6.805 -19.515 1.00 0.00 C ATOM 324 OG1 THR A 22 10.661 -6.901 -18.094 1.00 0.00 O ATOM 325 CG2 THR A 22 10.322 -8.199 -20.082 1.00 0.00 C ATOM 0 H THR A 22 12.903 -7.543 -19.058 1.00 0.00 H new ATOM 0 HA THR A 22 11.639 -5.991 -21.186 1.00 0.00 H new ATOM 0 HB THR A 22 9.657 -6.188 -19.766 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.797 -6.726 -17.667 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.428 -8.645 -19.647 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.207 -8.139 -21.164 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.189 -8.816 -19.843 1.00 0.00 H new ATOM 333 N PRO A 23 11.214 -3.769 -19.737 1.00 0.00 N ATOM 334 CA PRO A 23 11.325 -2.450 -19.093 1.00 0.00 C ATOM 335 C PRO A 23 11.198 -2.541 -17.572 1.00 0.00 C ATOM 336 O PRO A 23 11.842 -1.792 -16.840 1.00 0.00 O ATOM 337 CB PRO A 23 10.138 -1.673 -19.669 1.00 0.00 C ATOM 338 CG PRO A 23 9.868 -2.327 -20.974 1.00 0.00 C ATOM 339 CD PRO A 23 10.142 -3.785 -20.756 1.00 0.00 C ATOM 0 HA PRO A 23 12.293 -1.985 -19.281 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.271 -1.726 -19.011 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.378 -0.617 -19.795 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.837 -2.164 -21.289 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.508 -1.920 -21.757 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.257 -4.314 -20.403 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.464 -4.278 -21.674 1.00 0.00 H new ATOM 347 N CYS A 24 10.372 -3.473 -17.105 1.00 0.00 N ATOM 348 CA CYS A 24 10.131 -3.639 -15.682 1.00 0.00 C ATOM 349 C CYS A 24 11.293 -4.354 -14.969 1.00 0.00 C ATOM 350 O CYS A 24 11.387 -4.324 -13.741 1.00 0.00 O ATOM 351 CB CYS A 24 8.798 -4.350 -15.436 1.00 0.00 C ATOM 352 SG CYS A 24 8.555 -5.882 -16.401 1.00 0.00 S ATOM 0 H CYS A 24 9.858 -4.125 -17.697 1.00 0.00 H new ATOM 0 HA CYS A 24 10.070 -2.642 -15.247 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.721 -4.590 -14.375 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.987 -3.660 -15.667 1.00 0.00 H new ATOM 0 HG CYS A 24 7.289 -6.175 -16.439 1.00 0.00 H new ATOM 357 N GLY A 25 12.173 -4.984 -15.739 1.00 0.00 N ATOM 358 CA GLY A 25 13.316 -5.669 -15.154 1.00 0.00 C ATOM 359 C GLY A 25 13.157 -7.177 -15.139 1.00 0.00 C ATOM 360 O GLY A 25 14.028 -7.897 -14.650 1.00 0.00 O ATOM 0 H GLY A 25 12.118 -5.034 -16.756 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.214 -5.409 -15.714 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.463 -5.314 -14.134 1.00 0.00 H new ATOM 364 N HIS A 26 12.061 -7.658 -15.681 1.00 0.00 N ATOM 365 CA HIS A 26 11.793 -9.090 -15.751 1.00 0.00 C ATOM 366 C HIS A 26 12.328 -9.656 -17.051 1.00 0.00 C ATOM 367 O HIS A 26 12.711 -8.902 -17.939 1.00 0.00 O ATOM 368 CB HIS A 26 10.296 -9.387 -15.602 1.00 0.00 C ATOM 369 CG HIS A 26 9.768 -9.077 -14.240 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.114 -7.897 -13.924 1.00 0.00 N ATOM 371 CD2 HIS A 26 9.827 -9.791 -13.092 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.804 -7.911 -12.636 1.00 0.00 C ATOM 373 NE2 HIS A 26 9.224 -9.045 -12.116 1.00 0.00 N ATOM 0 H HIS A 26 11.328 -7.076 -16.086 1.00 0.00 H new ATOM 0 HA HIS A 26 12.306 -9.574 -14.920 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.742 -8.807 -16.340 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.117 -10.439 -15.823 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.905 -7.141 -14.576 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.268 -10.769 -12.969 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.292 -7.124 -12.102 1.00 0.00 H new ATOM 380 N ARG A 27 12.399 -10.970 -17.154 1.00 0.00 N ATOM 381 CA ARG A 27 12.886 -11.588 -18.373 1.00 0.00 C ATOM 382 C ARG A 27 11.939 -12.678 -18.847 1.00 0.00 C ATOM 383 O ARG A 27 11.395 -13.430 -18.042 1.00 0.00 O ATOM 384 CB ARG A 27 14.300 -12.137 -18.182 1.00 0.00 C ATOM 385 CG ARG A 27 15.324 -11.058 -17.878 1.00 0.00 C ATOM 386 CD ARG A 27 16.715 -11.624 -17.711 1.00 0.00 C ATOM 387 NE ARG A 27 17.671 -10.585 -17.339 1.00 0.00 N ATOM 388 CZ ARG A 27 18.993 -10.686 -17.460 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.538 -11.788 -17.968 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.771 -9.688 -17.070 1.00 0.00 N ATOM 0 H ARG A 27 12.129 -11.623 -16.418 1.00 0.00 H new ATOM 0 HA ARG A 27 12.926 -10.819 -19.145 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.294 -12.863 -17.369 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.601 -12.671 -19.084 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.326 -10.324 -18.684 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.036 -10.532 -16.968 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.704 -12.401 -16.947 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.032 -12.096 -18.641 1.00 0.00 H new ATOM 0 HE ARG A 27 17.298 -9.716 -16.957 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.943 -12.560 -18.267 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.551 -11.861 -18.059 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.357 -8.842 -16.677 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.784 -9.765 -17.162 1.00 0.00 H new ATOM 404 N PHE A 28 11.745 -12.745 -20.148 1.00 0.00 N ATOM 405 CA PHE A 28 10.871 -13.732 -20.778 1.00 0.00 C ATOM 406 C PHE A 28 11.533 -14.260 -22.045 1.00 0.00 C ATOM 407 O PHE A 28 12.677 -13.902 -22.349 1.00 0.00 O ATOM 408 CB PHE A 28 9.511 -13.111 -21.144 1.00 0.00 C ATOM 409 CG PHE A 28 8.663 -12.666 -19.981 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.771 -13.539 -19.383 1.00 0.00 C ATOM 411 CD2 PHE A 28 8.752 -11.372 -19.497 1.00 0.00 C ATOM 412 CE1 PHE A 28 6.985 -13.128 -18.323 1.00 0.00 C ATOM 413 CE2 PHE A 28 7.971 -10.957 -18.437 1.00 0.00 C ATOM 414 CZ PHE A 28 7.085 -11.836 -17.849 1.00 0.00 C ATOM 0 H PHE A 28 12.192 -12.112 -20.811 1.00 0.00 H new ATOM 0 HA PHE A 28 10.706 -14.544 -20.070 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.687 -12.252 -21.792 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.945 -13.838 -21.726 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.688 -14.552 -19.748 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.441 -10.678 -19.955 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.292 -13.819 -17.865 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.054 -9.945 -18.068 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.472 -11.514 -17.020 1.00 0.00 H new ATOM 424 N CYS A 29 10.842 -15.125 -22.766 1.00 0.00 N ATOM 425 CA CYS A 29 11.310 -15.563 -24.071 1.00 0.00 C ATOM 426 C CYS A 29 10.737 -14.646 -25.142 1.00 0.00 C ATOM 427 O CYS A 29 9.642 -14.097 -24.976 1.00 0.00 O ATOM 428 CB CYS A 29 10.861 -16.987 -24.350 1.00 0.00 C ATOM 429 SG CYS A 29 11.289 -18.184 -23.052 1.00 0.00 S ATOM 0 H CYS A 29 9.957 -15.538 -22.472 1.00 0.00 H new ATOM 0 HA CYS A 29 12.399 -15.526 -24.082 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.780 -16.992 -24.488 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.304 -17.316 -25.290 1.00 0.00 H new ATOM 0 HG CYS A 29 10.228 -18.853 -22.712 1.00 0.00 H new ATOM 434 N LYS A 30 11.447 -14.516 -26.248 1.00 0.00 N ATOM 435 CA LYS A 30 11.062 -13.610 -27.326 1.00 0.00 C ATOM 436 C LYS A 30 9.821 -14.125 -28.064 1.00 0.00 C ATOM 437 O LYS A 30 9.188 -13.397 -28.822 1.00 0.00 O ATOM 438 CB LYS A 30 12.242 -13.402 -28.296 1.00 0.00 C ATOM 439 CG LYS A 30 11.993 -12.414 -29.429 1.00 0.00 C ATOM 440 CD LYS A 30 13.227 -12.253 -30.302 1.00 0.00 C ATOM 441 CE LYS A 30 12.985 -11.284 -31.454 1.00 0.00 C ATOM 442 NZ LYS A 30 12.643 -9.913 -30.992 1.00 0.00 N ATOM 0 H LYS A 30 12.307 -15.033 -26.429 1.00 0.00 H new ATOM 0 HA LYS A 30 10.804 -12.645 -26.889 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.105 -13.062 -27.723 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.508 -14.366 -28.730 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.157 -12.758 -30.037 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.709 -11.447 -29.015 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.058 -11.894 -29.694 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.520 -13.225 -30.700 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.877 -11.240 -32.079 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.177 -11.664 -32.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.656 -9.261 -31.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.695 -9.917 -30.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.339 -9.601 -30.285 1.00 0.00 H new ATOM 456 N ALA A 31 9.449 -15.360 -27.806 1.00 0.00 N ATOM 457 CA ALA A 31 8.319 -15.950 -28.499 1.00 0.00 C ATOM 458 C ALA A 31 7.174 -16.216 -27.544 1.00 0.00 C ATOM 459 O ALA A 31 6.063 -16.531 -27.968 1.00 0.00 O ATOM 460 CB ALA A 31 8.736 -17.241 -29.178 1.00 0.00 C ATOM 0 H ALA A 31 9.905 -15.972 -27.129 1.00 0.00 H new ATOM 0 HA ALA A 31 7.979 -15.241 -29.254 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.879 -17.674 -29.694 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.527 -17.034 -29.898 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.102 -17.944 -28.430 1.00 0.00 H new ATOM 466 N CYS A 32 7.434 -16.081 -26.261 1.00 0.00 N ATOM 467 CA CYS A 32 6.392 -16.254 -25.275 1.00 0.00 C ATOM 468 C CYS A 32 5.737 -14.917 -24.942 1.00 0.00 C ATOM 469 O CYS A 32 4.523 -14.755 -25.080 1.00 0.00 O ATOM 470 CB CYS A 32 6.954 -16.907 -24.015 1.00 0.00 C ATOM 471 SG CYS A 32 7.843 -18.474 -24.305 1.00 0.00 S ATOM 0 H CYS A 32 8.352 -15.853 -25.879 1.00 0.00 H new ATOM 0 HA CYS A 32 5.629 -16.911 -25.693 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.631 -16.205 -23.529 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.134 -17.092 -23.321 1.00 0.00 H new ATOM 0 HG CYS A 32 8.067 -19.063 -23.168 1.00 0.00 H new ATOM 476 N ILE A 33 6.547 -13.951 -24.521 1.00 0.00 N ATOM 477 CA ILE A 33 6.017 -12.655 -24.118 1.00 0.00 C ATOM 478 C ILE A 33 5.463 -11.872 -25.316 1.00 0.00 C ATOM 479 O ILE A 33 4.407 -11.279 -25.234 1.00 0.00 O ATOM 480 CB ILE A 33 7.048 -11.811 -23.315 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.394 -10.573 -22.698 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.245 -11.415 -24.168 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.338 -10.889 -21.664 1.00 0.00 C ATOM 0 H ILE A 33 7.561 -14.039 -24.451 1.00 0.00 H new ATOM 0 HA ILE A 33 5.186 -12.859 -23.443 1.00 0.00 H new ATOM 0 HB ILE A 33 7.413 -12.444 -22.506 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.167 -9.957 -22.237 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.944 -9.978 -23.493 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.940 -10.827 -23.569 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.747 -12.312 -24.530 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.906 -10.822 -25.017 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.922 -9.960 -21.274 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.544 -11.478 -22.123 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.786 -11.457 -20.849 1.00 0.00 H new ATOM 495 N ILE A 34 6.156 -11.930 -26.442 1.00 0.00 N ATOM 496 CA ILE A 34 5.733 -11.206 -27.634 1.00 0.00 C ATOM 497 C ILE A 34 4.379 -11.693 -28.144 1.00 0.00 C ATOM 498 O ILE A 34 3.499 -10.891 -28.472 1.00 0.00 O ATOM 499 CB ILE A 34 6.812 -11.163 -28.748 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.988 -10.290 -28.278 1.00 0.00 C ATOM 501 CG2 ILE A 34 6.242 -10.635 -30.061 1.00 0.00 C ATOM 502 CD1 ILE A 34 9.170 -10.271 -29.218 1.00 0.00 C ATOM 0 H ILE A 34 7.014 -12.470 -26.557 1.00 0.00 H new ATOM 0 HA ILE A 34 5.603 -10.169 -27.326 1.00 0.00 H new ATOM 0 HB ILE A 34 7.161 -12.179 -28.935 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.633 -9.269 -28.140 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.321 -10.646 -27.303 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.026 -10.619 -30.818 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.431 -11.283 -30.392 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.861 -9.625 -29.912 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.951 -9.631 -28.807 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.556 -11.283 -29.338 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.857 -9.885 -30.188 1.00 0.00 H new ATOM 514 N LYS A 35 4.184 -13.001 -28.138 1.00 0.00 N ATOM 515 CA LYS A 35 2.973 -13.588 -28.691 1.00 0.00 C ATOM 516 C LYS A 35 1.800 -13.436 -27.703 1.00 0.00 C ATOM 517 O LYS A 35 0.664 -13.783 -28.015 1.00 0.00 O ATOM 518 CB LYS A 35 3.236 -15.084 -28.993 1.00 0.00 C ATOM 519 CG LYS A 35 2.056 -15.858 -29.579 1.00 0.00 C ATOM 520 CD LYS A 35 1.660 -15.333 -30.949 1.00 0.00 C ATOM 521 CE LYS A 35 0.551 -16.171 -31.566 1.00 0.00 C ATOM 522 NZ LYS A 35 -0.707 -16.102 -30.781 1.00 0.00 N ATOM 0 H LYS A 35 4.847 -13.676 -27.757 1.00 0.00 H new ATOM 0 HA LYS A 35 2.704 -13.071 -29.612 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.074 -15.154 -29.687 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.545 -15.573 -28.070 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.316 -16.914 -29.656 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.204 -15.788 -28.903 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.330 -14.298 -30.862 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.529 -15.336 -31.607 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.362 -15.828 -32.583 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.878 -17.209 -31.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.466 -16.589 -31.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.566 -16.562 -29.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.971 -15.107 -30.635 1.00 0.00 H new ATOM 536 N SER A 36 2.075 -12.885 -26.531 1.00 0.00 N ATOM 537 CA SER A 36 1.029 -12.603 -25.576 1.00 0.00 C ATOM 538 C SER A 36 0.750 -11.093 -25.452 1.00 0.00 C ATOM 539 O SER A 36 -0.342 -10.684 -25.047 1.00 0.00 O ATOM 540 CB SER A 36 1.345 -13.253 -24.222 1.00 0.00 C ATOM 541 OG SER A 36 2.656 -12.942 -23.792 1.00 0.00 O ATOM 0 H SER A 36 3.013 -12.627 -26.224 1.00 0.00 H new ATOM 0 HA SER A 36 0.106 -13.048 -25.947 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.626 -12.912 -23.477 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.234 -14.334 -24.301 1.00 0.00 H new ATOM 0 HG SER A 36 3.294 -13.550 -24.221 1.00 0.00 H new ATOM 547 N ILE A 37 1.703 -10.260 -25.872 1.00 0.00 N ATOM 548 CA ILE A 37 1.569 -8.811 -25.681 1.00 0.00 C ATOM 549 C ILE A 37 1.163 -8.099 -26.960 1.00 0.00 C ATOM 550 O ILE A 37 0.765 -6.939 -26.933 1.00 0.00 O ATOM 551 CB ILE A 37 2.860 -8.175 -25.126 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.033 -8.434 -26.073 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.156 -8.687 -23.722 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.323 -7.783 -25.652 1.00 0.00 C ATOM 0 H ILE A 37 2.561 -10.554 -26.338 1.00 0.00 H new ATOM 0 HA ILE A 37 0.775 -8.683 -24.945 1.00 0.00 H new ATOM 0 HB ILE A 37 2.714 -7.097 -25.059 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.191 -9.510 -26.152 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.767 -8.077 -27.068 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.071 -8.225 -23.351 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.328 -8.434 -23.060 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.282 -9.769 -23.748 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.102 -8.017 -26.377 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.186 -6.703 -25.602 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.616 -8.157 -24.671 1.00 0.00 H new ATOM 566 N ARG A 38 1.264 -8.786 -28.075 1.00 0.00 N ATOM 567 CA ARG A 38 0.661 -8.297 -29.305 1.00 0.00 C ATOM 568 C ARG A 38 -0.673 -8.983 -29.496 1.00 0.00 C ATOM 569 O ARG A 38 -1.331 -8.849 -30.530 1.00 0.00 O ATOM 570 CB ARG A 38 1.559 -8.502 -30.534 1.00 0.00 C ATOM 571 CG ARG A 38 1.879 -9.943 -30.874 1.00 0.00 C ATOM 572 CD ARG A 38 2.645 -10.041 -32.185 1.00 0.00 C ATOM 573 NE ARG A 38 3.902 -9.300 -32.160 1.00 0.00 N ATOM 574 CZ ARG A 38 4.767 -9.219 -33.169 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.556 -9.888 -34.301 1.00 0.00 N ATOM 576 NH2 ARG A 38 5.845 -8.469 -33.033 1.00 0.00 N ATOM 0 H ARG A 38 1.752 -9.677 -28.161 1.00 0.00 H new ATOM 0 HA ARG A 38 0.524 -7.220 -29.211 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.076 -8.042 -31.396 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.496 -7.969 -30.371 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.468 -10.387 -30.071 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.955 -10.517 -30.946 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.850 -11.089 -32.404 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.021 -9.663 -32.995 1.00 0.00 H new ATOM 0 HE ARG A 38 4.137 -8.804 -31.300 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.725 -10.470 -34.402 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.226 -9.818 -35.067 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.007 -7.961 -32.163 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.516 -8.398 -33.798 1.00 0.00 H new ATOM 590 N ASP A 39 -1.071 -9.715 -28.473 1.00 0.00 N ATOM 591 CA ASP A 39 -2.269 -10.517 -28.522 1.00 0.00 C ATOM 592 C ASP A 39 -3.281 -9.986 -27.523 1.00 0.00 C ATOM 593 O ASP A 39 -4.411 -9.664 -27.886 1.00 0.00 O ATOM 594 CB ASP A 39 -1.923 -11.964 -28.198 1.00 0.00 C ATOM 595 CG ASP A 39 -3.044 -12.917 -28.500 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.231 -13.258 -29.685 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.732 -13.354 -27.561 1.00 0.00 O ATOM 0 H ASP A 39 -0.570 -9.767 -27.586 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.701 -10.468 -29.522 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.041 -12.257 -28.767 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.662 -12.042 -27.143 1.00 0.00 H new ATOM 602 N ALA A 40 -2.873 -9.877 -26.268 1.00 0.00 N ATOM 603 CA ALA A 40 -3.720 -9.282 -25.247 1.00 0.00 C ATOM 604 C ALA A 40 -3.435 -7.785 -25.139 1.00 0.00 C ATOM 605 O ALA A 40 -4.224 -6.945 -25.591 1.00 0.00 O ATOM 606 CB ALA A 40 -3.499 -9.963 -23.902 1.00 0.00 C ATOM 0 H ALA A 40 -1.963 -10.192 -25.933 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.762 -9.423 -25.533 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.142 -9.503 -23.151 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.740 -11.023 -23.987 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.456 -9.851 -23.604 1.00 0.00 H new ATOM 612 N GLY A 41 -2.294 -7.459 -24.570 1.00 0.00 N ATOM 613 CA GLY A 41 -1.901 -6.089 -24.401 1.00 0.00 C ATOM 614 C GLY A 41 -0.456 -6.005 -24.021 1.00 0.00 C ATOM 615 O GLY A 41 0.142 -7.015 -23.653 1.00 0.00 O ATOM 0 H GLY A 41 -1.620 -8.138 -24.215 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.073 -5.538 -25.325 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.514 -5.620 -23.631 1.00 0.00 H new ATOM 619 N HIS A 42 0.110 -4.821 -24.085 1.00 0.00 N ATOM 620 CA HIS A 42 1.525 -4.649 -23.813 1.00 0.00 C ATOM 621 C HIS A 42 1.806 -4.532 -22.336 1.00 0.00 C ATOM 622 O HIS A 42 2.070 -3.449 -21.817 1.00 0.00 O ATOM 623 CB HIS A 42 2.113 -3.467 -24.581 1.00 0.00 C ATOM 624 CG HIS A 42 2.242 -3.713 -26.046 1.00 0.00 C ATOM 625 ND1 HIS A 42 1.345 -3.247 -26.972 1.00 0.00 N ATOM 626 CD2 HIS A 42 3.185 -4.380 -26.747 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.729 -3.616 -28.178 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.842 -4.304 -28.069 1.00 0.00 N ATOM 0 H HIS A 42 -0.385 -3.961 -24.323 1.00 0.00 H new ATOM 0 HA HIS A 42 2.022 -5.551 -24.169 1.00 0.00 H new ATOM 0 HB2 HIS A 42 1.483 -2.592 -24.422 1.00 0.00 H new ATOM 0 HB3 HIS A 42 3.096 -3.231 -24.172 1.00 0.00 H new ATOM 0 HD2 HIS A 42 4.050 -4.881 -26.339 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.215 -3.390 -29.100 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.365 -4.714 -28.843 1.00 0.00 H new ATOM 637 N LYS A 43 1.721 -5.652 -21.662 1.00 0.00 N ATOM 638 CA LYS A 43 2.002 -5.738 -20.254 1.00 0.00 C ATOM 639 C LYS A 43 2.494 -7.132 -19.927 1.00 0.00 C ATOM 640 O LYS A 43 2.148 -8.091 -20.617 1.00 0.00 O ATOM 641 CB LYS A 43 0.743 -5.414 -19.437 1.00 0.00 C ATOM 642 CG LYS A 43 -0.394 -6.414 -19.622 1.00 0.00 C ATOM 643 CD LYS A 43 -1.590 -6.077 -18.750 1.00 0.00 C ATOM 644 CE LYS A 43 -2.248 -4.778 -19.187 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.436 -4.466 -18.367 1.00 0.00 N ATOM 0 H LYS A 43 1.451 -6.541 -22.084 1.00 0.00 H new ATOM 0 HA LYS A 43 2.773 -5.012 -19.996 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.009 -5.374 -18.381 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.388 -4.421 -19.715 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.699 -6.427 -20.668 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.039 -7.416 -19.381 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.316 -6.888 -18.797 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.272 -5.994 -17.711 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.529 -3.962 -19.112 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.538 -4.851 -20.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.859 -3.574 -18.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.132 -5.233 -18.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.155 -4.371 -17.370 1.00 0.00 H new ATOM 659 N CYS A 44 3.298 -7.252 -18.901 1.00 0.00 N ATOM 660 CA CYS A 44 3.708 -8.554 -18.444 1.00 0.00 C ATOM 661 C CYS A 44 2.580 -9.201 -17.644 1.00 0.00 C ATOM 662 O CYS A 44 1.943 -8.543 -16.824 1.00 0.00 O ATOM 663 CB CYS A 44 4.994 -8.444 -17.619 1.00 0.00 C ATOM 664 SG CYS A 44 5.078 -6.967 -16.554 1.00 0.00 S ATOM 0 H CYS A 44 3.679 -6.469 -18.370 1.00 0.00 H new ATOM 0 HA CYS A 44 3.920 -9.191 -19.303 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.089 -9.333 -16.995 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.847 -8.438 -18.297 1.00 0.00 H new ATOM 0 HG CYS A 44 5.895 -7.189 -15.568 1.00 0.00 H new ATOM 669 N PRO A 45 2.298 -10.490 -17.881 1.00 0.00 N ATOM 670 CA PRO A 45 1.219 -11.205 -17.181 1.00 0.00 C ATOM 671 C PRO A 45 1.486 -11.331 -15.680 1.00 0.00 C ATOM 672 O PRO A 45 0.565 -11.520 -14.887 1.00 0.00 O ATOM 673 CB PRO A 45 1.217 -12.589 -17.848 1.00 0.00 C ATOM 674 CG PRO A 45 2.590 -12.733 -18.409 1.00 0.00 C ATOM 675 CD PRO A 45 2.987 -11.356 -18.857 1.00 0.00 C ATOM 0 HA PRO A 45 0.266 -10.682 -17.256 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.998 -13.377 -17.127 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.460 -12.652 -18.630 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.282 -13.116 -17.659 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.602 -13.435 -19.242 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.068 -11.217 -18.831 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.664 -11.153 -19.878 1.00 0.00 H new ATOM 683 N VAL A 46 2.751 -11.221 -15.302 1.00 0.00 N ATOM 684 CA VAL A 46 3.154 -11.371 -13.916 1.00 0.00 C ATOM 685 C VAL A 46 2.812 -10.120 -13.096 1.00 0.00 C ATOM 686 O VAL A 46 1.853 -10.113 -12.324 1.00 0.00 O ATOM 687 CB VAL A 46 4.671 -11.672 -13.796 1.00 0.00 C ATOM 688 CG1 VAL A 46 5.074 -11.899 -12.343 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.050 -12.872 -14.651 1.00 0.00 C ATOM 0 H VAL A 46 3.520 -11.027 -15.943 1.00 0.00 H new ATOM 0 HA VAL A 46 2.596 -12.217 -13.515 1.00 0.00 H new ATOM 0 HB VAL A 46 5.215 -10.802 -14.163 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.143 -12.108 -12.290 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.849 -11.006 -11.759 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.519 -12.746 -11.939 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.118 -13.066 -14.553 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.490 -13.746 -14.319 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.814 -12.664 -15.695 1.00 0.00 H new ATOM 699 N ASP A 47 3.583 -9.065 -13.282 1.00 0.00 N ATOM 700 CA ASP A 47 3.433 -7.849 -12.491 1.00 0.00 C ATOM 701 C ASP A 47 2.637 -6.771 -13.214 1.00 0.00 C ATOM 702 O ASP A 47 2.480 -5.670 -12.704 1.00 0.00 O ATOM 703 CB ASP A 47 4.809 -7.313 -12.085 1.00 0.00 C ATOM 704 CG ASP A 47 5.746 -7.142 -13.265 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.976 -8.108 -14.016 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.292 -6.048 -13.473 1.00 0.00 O ATOM 0 H ASP A 47 4.327 -9.022 -13.979 1.00 0.00 H new ATOM 0 HA ASP A 47 2.866 -8.115 -11.599 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.686 -6.353 -11.583 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.261 -7.994 -11.364 1.00 0.00 H new ATOM 711 N ASN A 48 2.125 -7.109 -14.388 1.00 0.00 N ATOM 712 CA ASN A 48 1.188 -6.258 -15.152 1.00 0.00 C ATOM 713 C ASN A 48 1.716 -4.853 -15.451 1.00 0.00 C ATOM 714 O ASN A 48 0.941 -3.892 -15.510 1.00 0.00 O ATOM 715 CB ASN A 48 -0.183 -6.186 -14.468 1.00 0.00 C ATOM 716 CG ASN A 48 -0.943 -7.506 -14.501 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.755 -7.782 -13.619 1.00 0.00 O ATOM 718 ND2 ASN A 48 -0.683 -8.332 -15.499 1.00 0.00 N ATOM 0 H ASN A 48 2.343 -7.990 -14.853 1.00 0.00 H new ATOM 0 HA ASN A 48 1.081 -6.749 -16.119 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.048 -5.878 -13.431 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.784 -5.417 -14.953 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.162 -9.231 -15.555 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.003 -8.071 -16.213 1.00 0.00 H new ATOM 725 N GLU A 49 3.000 -4.731 -15.674 1.00 0.00 N ATOM 726 CA GLU A 49 3.577 -3.448 -16.035 1.00 0.00 C ATOM 727 C GLU A 49 3.653 -3.322 -17.541 1.00 0.00 C ATOM 728 O GLU A 49 3.704 -4.334 -18.240 1.00 0.00 O ATOM 729 CB GLU A 49 4.948 -3.248 -15.401 1.00 0.00 C ATOM 730 CG GLU A 49 4.902 -3.132 -13.891 1.00 0.00 C ATOM 731 CD GLU A 49 4.076 -1.949 -13.436 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.354 -0.818 -13.873 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.133 -2.141 -12.637 1.00 0.00 O ATOM 0 H GLU A 49 3.669 -5.498 -15.614 1.00 0.00 H new ATOM 0 HA GLU A 49 2.928 -2.663 -15.647 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.592 -4.084 -15.674 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.403 -2.347 -15.813 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.486 -4.047 -13.470 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.916 -3.036 -13.504 1.00 0.00 H new ATOM 740 N ILE A 50 3.641 -2.094 -18.043 1.00 0.00 N ATOM 741 CA ILE A 50 3.619 -1.873 -19.478 1.00 0.00 C ATOM 742 C ILE A 50 4.924 -2.351 -20.098 1.00 0.00 C ATOM 743 O ILE A 50 6.015 -1.877 -19.757 1.00 0.00 O ATOM 744 CB ILE A 50 3.359 -0.387 -19.836 1.00 0.00 C ATOM 745 CG1 ILE A 50 2.008 0.069 -19.264 1.00 0.00 C ATOM 746 CG2 ILE A 50 3.397 -0.171 -21.348 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.811 -0.707 -19.787 1.00 0.00 C ATOM 0 H ILE A 50 3.646 -1.243 -17.480 1.00 0.00 H new ATOM 0 HA ILE A 50 2.791 -2.451 -19.889 1.00 0.00 H new ATOM 0 HB ILE A 50 4.152 0.214 -19.390 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.038 -0.021 -18.178 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.869 1.126 -19.492 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.211 0.880 -21.570 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.377 -0.456 -21.732 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.630 -0.783 -21.822 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.101 -0.320 -19.332 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.751 -0.597 -20.870 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.923 -1.762 -19.535 1.00 0.00 H new ATOM 759 N LEU A 51 4.797 -3.282 -21.002 1.00 0.00 N ATOM 760 CA LEU A 51 5.920 -3.965 -21.577 1.00 0.00 C ATOM 761 C LEU A 51 5.877 -3.817 -23.094 1.00 0.00 C ATOM 762 O LEU A 51 4.912 -4.218 -23.736 1.00 0.00 O ATOM 763 CB LEU A 51 5.837 -5.437 -21.132 1.00 0.00 C ATOM 764 CG LEU A 51 7.019 -6.360 -21.420 1.00 0.00 C ATOM 765 CD1 LEU A 51 6.942 -7.572 -20.518 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.009 -6.813 -22.860 1.00 0.00 C ATOM 0 H LEU A 51 3.896 -3.592 -21.365 1.00 0.00 H new ATOM 0 HA LEU A 51 6.869 -3.545 -21.242 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.665 -5.447 -20.056 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.955 -5.874 -21.600 1.00 0.00 H new ATOM 0 HG LEU A 51 7.941 -5.809 -21.233 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.785 -8.232 -20.722 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.975 -7.253 -19.476 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.010 -8.106 -20.704 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.860 -7.469 -23.041 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.085 -7.353 -23.065 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.075 -5.944 -23.515 1.00 0.00 H new ATOM 778 N LEU A 52 6.919 -3.246 -23.663 1.00 0.00 N ATOM 779 CA LEU A 52 6.953 -2.984 -25.095 1.00 0.00 C ATOM 780 C LEU A 52 7.809 -4.004 -25.824 1.00 0.00 C ATOM 781 O LEU A 52 8.860 -4.415 -25.328 1.00 0.00 O ATOM 782 CB LEU A 52 7.430 -1.555 -25.407 1.00 0.00 C ATOM 783 CG LEU A 52 6.541 -0.388 -24.933 1.00 0.00 C ATOM 784 CD1 LEU A 52 5.093 -0.587 -25.364 1.00 0.00 C ATOM 785 CD2 LEU A 52 6.652 -0.163 -23.429 1.00 0.00 C ATOM 0 H LEU A 52 7.756 -2.953 -23.159 1.00 0.00 H new ATOM 0 HA LEU A 52 5.929 -3.077 -25.457 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.418 -1.426 -24.965 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.550 -1.469 -26.487 1.00 0.00 H new ATOM 0 HG LEU A 52 6.909 0.517 -25.417 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.491 0.252 -25.015 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.041 -0.643 -26.451 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.709 -1.512 -24.934 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.010 0.668 -23.137 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.340 -1.065 -22.902 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.685 0.069 -23.171 1.00 0.00 H new ATOM 797 N GLU A 53 7.347 -4.396 -27.003 1.00 0.00 N ATOM 798 CA GLU A 53 7.971 -5.445 -27.808 1.00 0.00 C ATOM 799 C GLU A 53 9.348 -5.009 -28.300 1.00 0.00 C ATOM 800 O GLU A 53 10.311 -5.779 -28.266 1.00 0.00 O ATOM 801 CB GLU A 53 7.079 -5.743 -29.019 1.00 0.00 C ATOM 802 CG GLU A 53 5.732 -6.337 -28.658 1.00 0.00 C ATOM 803 CD GLU A 53 4.834 -6.557 -29.849 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.117 -7.454 -30.642 1.00 0.00 O ATOM 805 OE2 GLU A 53 3.830 -5.813 -29.990 1.00 0.00 O ATOM 0 H GLU A 53 6.517 -3.991 -27.436 1.00 0.00 H new ATOM 0 HA GLU A 53 8.088 -6.335 -27.190 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.920 -4.820 -29.577 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.602 -6.431 -29.683 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.888 -7.288 -28.150 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.230 -5.676 -27.951 1.00 0.00 H new ATOM 812 N ASN A 54 9.429 -3.766 -28.749 1.00 0.00 N ATOM 813 CA ASN A 54 10.666 -3.211 -29.309 1.00 0.00 C ATOM 814 C ASN A 54 11.746 -3.072 -28.237 1.00 0.00 C ATOM 815 O ASN A 54 12.939 -3.191 -28.513 1.00 0.00 O ATOM 816 CB ASN A 54 10.390 -1.854 -29.969 1.00 0.00 C ATOM 817 CG ASN A 54 11.587 -1.296 -30.727 1.00 0.00 C ATOM 818 OD1 ASN A 54 12.394 -2.044 -31.290 1.00 0.00 O ATOM 819 ND2 ASN A 54 11.705 0.016 -30.762 1.00 0.00 N ATOM 0 H ASN A 54 8.647 -3.111 -28.739 1.00 0.00 H new ATOM 0 HA ASN A 54 11.033 -3.904 -30.066 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.550 -1.957 -30.656 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.090 -1.140 -29.202 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.481 0.445 -31.265 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.020 0.603 -30.286 1.00 0.00 H new ATOM 826 N GLN A 55 11.312 -2.834 -27.017 1.00 0.00 N ATOM 827 CA GLN A 55 12.204 -2.610 -25.889 1.00 0.00 C ATOM 828 C GLN A 55 12.779 -3.906 -25.337 1.00 0.00 C ATOM 829 O GLN A 55 13.644 -3.882 -24.463 1.00 0.00 O ATOM 830 CB GLN A 55 11.518 -1.808 -24.768 1.00 0.00 C ATOM 831 CG GLN A 55 11.464 -0.290 -24.985 1.00 0.00 C ATOM 832 CD GLN A 55 10.387 0.190 -25.958 1.00 0.00 C ATOM 833 OE1 GLN A 55 10.004 -0.499 -26.893 1.00 0.00 O ATOM 834 NE2 GLN A 55 9.891 1.383 -25.731 1.00 0.00 N ATOM 0 H GLN A 55 10.322 -2.789 -26.774 1.00 0.00 H new ATOM 0 HA GLN A 55 13.034 -2.018 -26.274 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.499 -2.178 -24.651 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.039 -2.006 -23.831 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.302 0.193 -24.021 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.435 0.044 -25.350 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.230 1.935 -24.943 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.166 1.759 -26.342 1.00 0.00 H new ATOM 843 N LEU A 56 12.286 -5.027 -25.816 1.00 0.00 N ATOM 844 CA LEU A 56 12.777 -6.316 -25.363 1.00 0.00 C ATOM 845 C LEU A 56 14.118 -6.633 -26.000 1.00 0.00 C ATOM 846 O LEU A 56 14.253 -6.599 -27.227 1.00 0.00 O ATOM 847 CB LEU A 56 11.766 -7.407 -25.703 1.00 0.00 C ATOM 848 CG LEU A 56 10.401 -7.258 -25.048 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.468 -8.359 -25.508 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.546 -7.270 -23.541 1.00 0.00 C ATOM 0 H LEU A 56 11.547 -5.075 -26.518 1.00 0.00 H new ATOM 0 HA LEU A 56 12.910 -6.275 -24.282 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.631 -7.429 -26.784 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.186 -8.371 -25.414 1.00 0.00 H new ATOM 0 HG LEU A 56 9.969 -6.303 -25.347 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.496 -8.236 -25.029 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.349 -8.306 -26.590 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.887 -9.328 -25.236 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.564 -7.163 -23.080 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.994 -8.213 -23.226 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.185 -6.443 -23.230 1.00 0.00 H new