USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 381 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -79:sc= 1.45 USER MOD Set 1.2: A 24 CYS SG : rot 108:sc= 1.49 USER MOD Set 1.3: A 26 HIS :FLIP no HD1:sc= -1.55! C(o=-5.3!,f=1.4!) USER MOD Set 1.4: A 44 CYS SG : rot -123:sc= 0.036 USER MOD Set 2.1: A 9 CYS SG : rot -166:sc= 1.16 USER MOD Set 2.2: A 12 CYS SG : rot -47:sc= 1.24 USER MOD Set 2.3: A 14 MET CE :methyl 178:sc= -0.776 (180deg=-0.752) USER MOD Set 2.4: A 29 CYS SG : rot 83:sc= -1.46 USER MOD Set 2.5: A 32 CYS SG : rot -167:sc= -2.79! USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 30 LYS NZ :NH3+ -142:sc= 1.21 (180deg=1.15) USER MOD Single : A 35 LYS NZ :NH3+ 159:sc= -0.0786 (180deg=-0.434) USER MOD Single : A 36 SER OG : rot 71:sc= 1.26 USER MOD Single : A 42 HIS : no HD1:sc= 1.18 K(o=1.2,f=-4.5!) USER MOD Single : A 43 LYS NZ :NH3+ -136:sc= -0.538 (180deg=-2.52!) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 54 ASN : amide:sc=-0.00525 K(o=-0.0053,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= -0.0414 X(o=-0.041,f=-0.095) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 13.751 -17.935 -16.257 1.00 0.00 N ATOM 105 CA GLU A 8 12.611 -18.786 -16.520 1.00 0.00 C ATOM 106 C GLU A 8 11.386 -17.891 -16.593 1.00 0.00 C ATOM 107 O GLU A 8 11.159 -17.088 -15.686 1.00 0.00 O ATOM 108 CB GLU A 8 12.463 -19.805 -15.383 1.00 0.00 C ATOM 109 CG GLU A 8 11.343 -20.810 -15.558 1.00 0.00 C ATOM 110 CD GLU A 8 11.301 -21.801 -14.421 1.00 0.00 C ATOM 111 OE1 GLU A 8 10.731 -21.475 -13.358 1.00 0.00 O ATOM 112 OE2 GLU A 8 11.881 -22.898 -14.563 1.00 0.00 O ATOM 0 HA GLU A 8 12.734 -19.334 -17.454 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.403 -20.347 -15.278 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.301 -19.264 -14.451 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.389 -20.285 -15.619 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.475 -21.342 -16.500 1.00 0.00 H new ATOM 119 N CYS A 9 10.619 -17.992 -17.654 1.00 0.00 N ATOM 120 CA CYS A 9 9.473 -17.123 -17.802 1.00 0.00 C ATOM 121 C CYS A 9 8.219 -17.786 -17.236 1.00 0.00 C ATOM 122 O CYS A 9 7.970 -18.965 -17.491 1.00 0.00 O ATOM 123 CB CYS A 9 9.269 -16.679 -19.257 1.00 0.00 C ATOM 124 SG CYS A 9 8.278 -17.782 -20.297 1.00 0.00 S ATOM 0 H CYS A 9 10.763 -18.655 -18.416 1.00 0.00 H new ATOM 0 HA CYS A 9 9.669 -16.219 -17.226 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.797 -15.696 -19.253 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.249 -16.560 -19.720 1.00 0.00 H new ATOM 0 HG CYS A 9 8.423 -17.448 -21.545 1.00 0.00 H new ATOM 129 N PRO A 10 7.417 -17.045 -16.447 1.00 0.00 N ATOM 130 CA PRO A 10 6.202 -17.584 -15.810 1.00 0.00 C ATOM 131 C PRO A 10 5.192 -18.099 -16.836 1.00 0.00 C ATOM 132 O PRO A 10 4.300 -18.885 -16.505 1.00 0.00 O ATOM 133 CB PRO A 10 5.600 -16.362 -15.106 1.00 0.00 C ATOM 134 CG PRO A 10 6.725 -15.407 -14.944 1.00 0.00 C ATOM 135 CD PRO A 10 7.646 -15.632 -16.095 1.00 0.00 C ATOM 0 HA PRO A 10 6.435 -18.424 -15.155 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.795 -15.925 -15.697 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.174 -16.635 -14.140 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.362 -14.379 -14.934 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.240 -15.573 -13.998 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.416 -14.968 -16.929 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.685 -15.450 -15.820 1.00 0.00 H new ATOM 143 N ILE A 11 5.329 -17.644 -18.068 1.00 0.00 N ATOM 144 CA ILE A 11 4.406 -18.001 -19.128 1.00 0.00 C ATOM 145 C ILE A 11 4.476 -19.501 -19.477 1.00 0.00 C ATOM 146 O ILE A 11 3.440 -20.156 -19.615 1.00 0.00 O ATOM 147 CB ILE A 11 4.648 -17.130 -20.391 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.287 -15.668 -20.097 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.847 -17.648 -21.578 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.670 -14.702 -21.195 1.00 0.00 C ATOM 0 H ILE A 11 6.080 -17.019 -18.361 1.00 0.00 H new ATOM 0 HA ILE A 11 3.400 -17.802 -18.758 1.00 0.00 H new ATOM 0 HB ILE A 11 5.705 -17.190 -20.651 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.213 -15.598 -19.926 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.778 -15.363 -19.173 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.037 -17.018 -22.447 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.146 -18.672 -21.800 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.784 -17.624 -21.338 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.380 -13.691 -20.908 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.748 -14.739 -21.353 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.159 -14.978 -22.117 1.00 0.00 H new ATOM 162 N CYS A 12 5.682 -20.047 -19.601 1.00 0.00 N ATOM 163 CA CYS A 12 5.819 -21.460 -19.959 1.00 0.00 C ATOM 164 C CYS A 12 6.568 -22.256 -18.894 1.00 0.00 C ATOM 165 O CYS A 12 6.450 -23.488 -18.831 1.00 0.00 O ATOM 166 CB CYS A 12 6.526 -21.608 -21.304 1.00 0.00 C ATOM 167 SG CYS A 12 8.252 -21.030 -21.314 1.00 0.00 S ATOM 0 H CYS A 12 6.561 -19.549 -19.463 1.00 0.00 H new ATOM 0 HA CYS A 12 4.810 -21.866 -20.031 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.505 -22.657 -21.598 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.966 -21.055 -22.058 1.00 0.00 H new ATOM 0 HG CYS A 12 8.321 -19.859 -20.754 1.00 0.00 H new ATOM 172 N LEU A 13 7.325 -21.541 -18.059 1.00 0.00 N ATOM 173 CA LEU A 13 8.223 -22.131 -17.062 1.00 0.00 C ATOM 174 C LEU A 13 9.301 -23.005 -17.710 1.00 0.00 C ATOM 175 O LEU A 13 9.822 -23.930 -17.091 1.00 0.00 O ATOM 176 CB LEU A 13 7.441 -22.911 -15.990 1.00 0.00 C ATOM 177 CG LEU A 13 6.413 -22.102 -15.187 1.00 0.00 C ATOM 178 CD1 LEU A 13 5.697 -22.988 -14.181 1.00 0.00 C ATOM 179 CD2 LEU A 13 7.076 -20.921 -14.490 1.00 0.00 C ATOM 0 H LEU A 13 7.332 -20.521 -18.056 1.00 0.00 H new ATOM 0 HA LEU A 13 8.733 -21.306 -16.565 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.924 -23.738 -16.476 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.156 -23.347 -15.292 1.00 0.00 H new ATOM 0 HG LEU A 13 5.672 -21.711 -15.884 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.973 -22.394 -13.623 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.180 -23.791 -14.707 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.424 -23.416 -13.491 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.327 -20.363 -13.928 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.845 -21.285 -13.808 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.531 -20.268 -15.235 1.00 0.00 H new ATOM 191 N MET A 14 9.654 -22.682 -18.948 1.00 0.00 N ATOM 192 CA MET A 14 10.741 -23.365 -19.641 1.00 0.00 C ATOM 193 C MET A 14 11.977 -22.481 -19.642 1.00 0.00 C ATOM 194 O MET A 14 11.930 -21.336 -19.171 1.00 0.00 O ATOM 195 CB MET A 14 10.373 -23.692 -21.095 1.00 0.00 C ATOM 196 CG MET A 14 9.188 -24.619 -21.267 1.00 0.00 C ATOM 197 SD MET A 14 8.934 -25.105 -22.995 1.00 0.00 S ATOM 198 CE MET A 14 8.582 -23.522 -23.767 1.00 0.00 C ATOM 0 H MET A 14 9.202 -21.949 -19.495 1.00 0.00 H new ATOM 0 HA MET A 14 10.932 -24.299 -19.113 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.163 -22.759 -21.619 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.239 -24.142 -21.580 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.338 -25.512 -20.660 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.289 -24.128 -20.895 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.440 -23.663 -24.838 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.676 -23.099 -23.333 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.416 -22.841 -23.598 1.00 0.00 H new ATOM 208 N ALA A 15 13.078 -23.012 -20.156 1.00 0.00 N ATOM 209 CA ALA A 15 14.301 -22.245 -20.306 1.00 0.00 C ATOM 210 C ALA A 15 14.117 -21.185 -21.385 1.00 0.00 C ATOM 211 O ALA A 15 13.364 -21.390 -22.350 1.00 0.00 O ATOM 212 CB ALA A 15 15.470 -23.161 -20.645 1.00 0.00 C ATOM 0 H ALA A 15 13.146 -23.978 -20.477 1.00 0.00 H new ATOM 0 HA ALA A 15 14.525 -21.749 -19.361 1.00 0.00 H new ATOM 0 HB1 ALA A 15 16.378 -22.567 -20.753 1.00 0.00 H new ATOM 0 HB2 ALA A 15 15.606 -23.889 -19.845 1.00 0.00 H new ATOM 0 HB3 ALA A 15 15.264 -23.683 -21.579 1.00 0.00 H new ATOM 218 N LEU A 16 14.789 -20.062 -21.231 1.00 0.00 N ATOM 219 CA LEU A 16 14.620 -18.952 -22.148 1.00 0.00 C ATOM 220 C LEU A 16 15.411 -19.221 -23.425 1.00 0.00 C ATOM 221 O LEU A 16 16.587 -19.581 -23.363 1.00 0.00 O ATOM 222 CB LEU A 16 15.139 -17.672 -21.494 1.00 0.00 C ATOM 223 CG LEU A 16 14.552 -17.316 -20.124 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.178 -16.044 -19.595 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.043 -17.180 -20.184 1.00 0.00 C ATOM 0 H LEU A 16 15.458 -19.893 -20.479 1.00 0.00 H new ATOM 0 HA LEU A 16 13.563 -18.839 -22.391 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.221 -17.757 -21.390 1.00 0.00 H new ATOM 0 HB3 LEU A 16 14.948 -16.841 -22.173 1.00 0.00 H new ATOM 0 HG LEU A 16 14.784 -18.133 -19.441 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.750 -15.805 -18.621 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.254 -16.183 -19.494 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.981 -15.226 -20.288 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.661 -16.927 -19.195 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.776 -16.392 -20.888 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.605 -18.123 -20.512 1.00 0.00 H new ATOM 237 N ARG A 17 14.770 -19.063 -24.579 1.00 0.00 N ATOM 238 CA ARG A 17 15.446 -19.307 -25.855 1.00 0.00 C ATOM 239 C ARG A 17 16.534 -18.258 -26.119 1.00 0.00 C ATOM 240 O ARG A 17 17.706 -18.587 -26.244 1.00 0.00 O ATOM 241 CB ARG A 17 14.440 -19.275 -27.006 1.00 0.00 C ATOM 242 CG ARG A 17 15.042 -19.576 -28.371 1.00 0.00 C ATOM 243 CD ARG A 17 15.331 -21.057 -28.549 1.00 0.00 C ATOM 244 NE ARG A 17 14.094 -21.837 -28.663 1.00 0.00 N ATOM 245 CZ ARG A 17 13.907 -22.850 -29.513 1.00 0.00 C ATOM 246 NH1 ARG A 17 14.894 -23.247 -30.314 1.00 0.00 N ATOM 247 NH2 ARG A 17 12.732 -23.466 -29.565 1.00 0.00 N ATOM 0 H ARG A 17 13.796 -18.771 -24.661 1.00 0.00 H new ATOM 0 HA ARG A 17 15.910 -20.292 -25.794 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.650 -19.998 -26.803 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.972 -18.291 -27.037 1.00 0.00 H new ATOM 0 HG2 ARG A 17 14.357 -19.244 -29.151 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.965 -19.009 -28.494 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.939 -21.205 -29.441 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.914 -21.419 -27.702 1.00 0.00 H new ATOM 0 HE ARG A 17 13.320 -21.587 -28.048 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.799 -22.777 -30.280 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.745 -24.021 -30.961 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.971 -23.166 -28.955 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.590 -24.240 -30.214 1.00 0.00 H new ATOM 261 N GLU A 18 16.126 -16.994 -26.189 1.00 0.00 N ATOM 262 CA GLU A 18 17.056 -15.901 -26.473 1.00 0.00 C ATOM 263 C GLU A 18 17.293 -15.081 -25.206 1.00 0.00 C ATOM 264 O GLU A 18 18.242 -14.305 -25.120 1.00 0.00 O ATOM 265 CB GLU A 18 16.491 -15.015 -27.599 1.00 0.00 C ATOM 266 CG GLU A 18 17.438 -13.924 -28.090 1.00 0.00 C ATOM 267 CD GLU A 18 16.839 -13.073 -29.191 1.00 0.00 C ATOM 268 OE1 GLU A 18 16.089 -12.140 -28.884 1.00 0.00 O ATOM 269 OE2 GLU A 18 17.123 -13.326 -30.386 1.00 0.00 O ATOM 0 H GLU A 18 15.159 -16.700 -26.053 1.00 0.00 H new ATOM 0 HA GLU A 18 18.010 -16.312 -26.802 1.00 0.00 H new ATOM 0 HB2 GLU A 18 16.223 -15.651 -28.443 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.571 -14.547 -27.248 1.00 0.00 H new ATOM 0 HG2 GLU A 18 17.712 -13.284 -27.251 1.00 0.00 H new ATOM 0 HG3 GLU A 18 18.357 -14.384 -28.453 1.00 0.00 H new ATOM 276 N ALA A 19 16.412 -15.296 -24.223 1.00 0.00 N ATOM 277 CA ALA A 19 16.425 -14.578 -22.948 1.00 0.00 C ATOM 278 C ALA A 19 16.232 -13.079 -23.141 1.00 0.00 C ATOM 279 O ALA A 19 17.196 -12.333 -23.321 1.00 0.00 O ATOM 280 CB ALA A 19 17.695 -14.874 -22.146 1.00 0.00 C ATOM 0 H ALA A 19 15.661 -15.983 -24.293 1.00 0.00 H new ATOM 0 HA ALA A 19 15.577 -14.944 -22.369 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.668 -14.323 -21.206 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.754 -15.943 -21.939 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.568 -14.567 -22.721 1.00 0.00 H new ATOM 286 N VAL A 20 14.991 -12.638 -23.121 1.00 0.00 N ATOM 287 CA VAL A 20 14.707 -11.233 -23.290 1.00 0.00 C ATOM 288 C VAL A 20 14.304 -10.585 -21.970 1.00 0.00 C ATOM 289 O VAL A 20 13.313 -10.968 -21.333 1.00 0.00 O ATOM 290 CB VAL A 20 13.667 -10.936 -24.413 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.213 -11.364 -25.768 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.331 -11.612 -24.145 1.00 0.00 C ATOM 0 H VAL A 20 14.170 -13.229 -22.990 1.00 0.00 H new ATOM 0 HA VAL A 20 15.640 -10.778 -23.623 1.00 0.00 H new ATOM 0 HB VAL A 20 13.494 -9.860 -24.420 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.475 -11.150 -26.542 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.131 -10.816 -25.980 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.424 -12.433 -25.754 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.637 -11.378 -24.952 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.474 -12.691 -24.090 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.924 -11.252 -23.200 1.00 0.00 H new ATOM 302 N GLN A 21 15.118 -9.655 -21.539 1.00 0.00 N ATOM 303 CA GLN A 21 14.872 -8.893 -20.341 1.00 0.00 C ATOM 304 C GLN A 21 13.895 -7.767 -20.641 1.00 0.00 C ATOM 305 O GLN A 21 13.991 -7.113 -21.682 1.00 0.00 O ATOM 306 CB GLN A 21 16.187 -8.328 -19.802 1.00 0.00 C ATOM 307 CG GLN A 21 16.056 -7.557 -18.496 1.00 0.00 C ATOM 308 CD GLN A 21 17.369 -6.945 -18.059 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.198 -6.564 -18.889 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.572 -6.837 -16.765 1.00 0.00 N ATOM 0 H GLN A 21 15.983 -9.402 -22.017 1.00 0.00 H new ATOM 0 HA GLN A 21 14.437 -9.544 -19.583 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.888 -9.150 -19.655 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.621 -7.670 -20.555 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.312 -6.770 -18.614 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.692 -8.226 -17.716 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.863 -7.163 -16.109 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.439 -6.427 -16.417 1.00 0.00 H new ATOM 319 N THR A 22 12.952 -7.565 -19.762 1.00 0.00 N ATOM 320 CA THR A 22 12.016 -6.471 -19.884 1.00 0.00 C ATOM 321 C THR A 22 12.520 -5.272 -19.071 1.00 0.00 C ATOM 322 O THR A 22 13.360 -5.449 -18.184 1.00 0.00 O ATOM 323 CB THR A 22 10.624 -6.904 -19.377 1.00 0.00 C ATOM 324 OG1 THR A 22 10.753 -7.498 -18.076 1.00 0.00 O ATOM 325 CG2 THR A 22 10.006 -7.918 -20.330 1.00 0.00 C ATOM 0 H THR A 22 12.807 -8.151 -18.940 1.00 0.00 H new ATOM 0 HA THR A 22 11.933 -6.186 -20.933 1.00 0.00 H new ATOM 0 HB THR A 22 9.980 -6.026 -19.324 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.076 -8.419 -18.167 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.025 -8.214 -19.960 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.901 -7.471 -21.319 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.649 -8.795 -20.395 1.00 0.00 H new ATOM 333 N PRO A 23 12.031 -4.042 -19.358 1.00 0.00 N ATOM 334 CA PRO A 23 12.417 -2.830 -18.612 1.00 0.00 C ATOM 335 C PRO A 23 12.190 -2.971 -17.111 1.00 0.00 C ATOM 336 O PRO A 23 12.988 -2.477 -16.304 1.00 0.00 O ATOM 337 CB PRO A 23 11.489 -1.759 -19.177 1.00 0.00 C ATOM 338 CG PRO A 23 11.186 -2.229 -20.545 1.00 0.00 C ATOM 339 CD PRO A 23 11.091 -3.723 -20.450 1.00 0.00 C ATOM 0 HA PRO A 23 13.478 -2.609 -18.725 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.583 -1.661 -18.579 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.970 -0.781 -19.189 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.252 -1.800 -20.908 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.967 -1.930 -21.244 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.077 -4.050 -20.219 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.377 -4.207 -21.384 1.00 0.00 H new ATOM 347 N CYS A 24 11.107 -3.639 -16.730 1.00 0.00 N ATOM 348 CA CYS A 24 10.823 -3.856 -15.333 1.00 0.00 C ATOM 349 C CYS A 24 11.804 -4.854 -14.693 1.00 0.00 C ATOM 350 O CYS A 24 11.984 -4.868 -13.474 1.00 0.00 O ATOM 351 CB CYS A 24 9.349 -4.225 -15.106 1.00 0.00 C ATOM 352 SG CYS A 24 8.595 -5.239 -16.425 1.00 0.00 S ATOM 0 H CYS A 24 10.420 -4.034 -17.372 1.00 0.00 H new ATOM 0 HA CYS A 24 10.983 -2.911 -14.814 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.266 -4.764 -14.162 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.772 -3.306 -15.000 1.00 0.00 H new ATOM 0 HG CYS A 24 8.417 -6.452 -15.992 1.00 0.00 H new ATOM 357 N GLY A 25 12.454 -5.668 -15.519 1.00 0.00 N ATOM 358 CA GLY A 25 13.495 -6.555 -15.015 1.00 0.00 C ATOM 359 C GLY A 25 13.151 -8.030 -15.086 1.00 0.00 C ATOM 360 O GLY A 25 13.922 -8.873 -14.633 1.00 0.00 O ATOM 0 H GLY A 25 12.282 -5.732 -16.522 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.410 -6.380 -15.582 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.707 -6.294 -13.978 1.00 0.00 H new ATOM 364 N HIS A 26 12.018 -8.356 -15.660 1.00 0.00 N ATOM 365 CA HIS A 26 11.604 -9.753 -15.730 1.00 0.00 C ATOM 366 C HIS A 26 12.197 -10.370 -16.981 1.00 0.00 C ATOM 367 O HIS A 26 12.313 -9.695 -18.008 1.00 0.00 O ATOM 368 CB HIS A 26 10.084 -9.882 -15.811 1.00 0.00 C ATOM 369 CG HIS A 26 9.329 -9.141 -14.767 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.708 -7.959 -14.844 1.00 0.00 N flip ATOM 371 CD2 HIS A 26 9.130 -9.595 -13.481 1.00 0.00 C flip ATOM 372 CE1 HIS A 26 8.140 -7.698 -13.634 1.00 0.00 C flip ATOM 373 NE2 HIS A 26 8.408 -8.701 -12.816 1.00 0.00 N flip ATOM 0 H HIS A 26 11.369 -7.691 -16.082 1.00 0.00 H new ATOM 0 HA HIS A 26 11.951 -10.259 -14.829 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.757 -9.532 -16.790 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.821 -10.938 -15.746 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.501 -10.526 -13.080 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.566 -6.818 -13.384 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.112 -8.775 -11.843 1.00 0.00 H new ATOM 380 N ARG A 27 12.579 -11.621 -16.909 1.00 0.00 N ATOM 381 CA ARG A 27 13.097 -12.301 -18.078 1.00 0.00 C ATOM 382 C ARG A 27 12.028 -13.202 -18.683 1.00 0.00 C ATOM 383 O ARG A 27 11.363 -13.948 -17.969 1.00 0.00 O ATOM 384 CB ARG A 27 14.364 -13.111 -17.759 1.00 0.00 C ATOM 385 CG ARG A 27 15.620 -12.292 -17.435 1.00 0.00 C ATOM 386 CD ARG A 27 15.609 -11.703 -16.026 1.00 0.00 C ATOM 387 NE ARG A 27 16.893 -11.059 -15.712 1.00 0.00 N ATOM 388 CZ ARG A 27 17.208 -10.468 -14.552 1.00 0.00 C ATOM 389 NH1 ARG A 27 16.292 -10.290 -13.607 1.00 0.00 N ATOM 390 NH2 ARG A 27 18.443 -10.026 -14.357 1.00 0.00 N ATOM 0 H ARG A 27 12.543 -12.188 -16.062 1.00 0.00 H new ATOM 0 HA ARG A 27 13.374 -11.537 -18.805 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.151 -13.763 -16.912 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.584 -13.755 -18.610 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.499 -12.927 -17.549 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.715 -11.483 -18.159 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.802 -10.975 -15.939 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.407 -12.491 -15.301 1.00 0.00 H new ATOM 0 HE ARG A 27 17.606 -11.063 -16.441 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.334 -10.605 -13.760 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.547 -9.838 -12.729 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.146 -10.137 -15.088 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.690 -9.575 -13.476 1.00 0.00 H new ATOM 404 N PHE A 28 11.860 -13.116 -19.989 1.00 0.00 N ATOM 405 CA PHE A 28 10.884 -13.925 -20.704 1.00 0.00 C ATOM 406 C PHE A 28 11.514 -14.551 -21.939 1.00 0.00 C ATOM 407 O PHE A 28 12.623 -14.172 -22.348 1.00 0.00 O ATOM 408 CB PHE A 28 9.653 -13.106 -21.129 1.00 0.00 C ATOM 409 CG PHE A 28 8.794 -12.566 -20.008 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.768 -13.330 -19.464 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.000 -11.293 -19.512 1.00 0.00 C ATOM 412 CE1 PHE A 28 6.973 -12.832 -18.451 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.204 -10.790 -18.502 1.00 0.00 C ATOM 414 CZ PHE A 28 7.192 -11.561 -17.970 1.00 0.00 C ATOM 0 H PHE A 28 12.394 -12.485 -20.586 1.00 0.00 H new ATOM 0 HA PHE A 28 10.556 -14.705 -20.016 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.992 -12.267 -21.736 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.029 -13.731 -21.769 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.590 -14.327 -19.839 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.793 -10.684 -19.919 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.181 -13.438 -18.037 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.374 -9.791 -18.128 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.572 -11.168 -17.177 1.00 0.00 H new ATOM 424 N CYS A 29 10.837 -15.535 -22.506 1.00 0.00 N ATOM 425 CA CYS A 29 11.257 -16.110 -23.769 1.00 0.00 C ATOM 426 C CYS A 29 10.782 -15.218 -24.910 1.00 0.00 C ATOM 427 O CYS A 29 9.825 -14.449 -24.756 1.00 0.00 O ATOM 428 CB CYS A 29 10.681 -17.505 -23.950 1.00 0.00 C ATOM 429 SG CYS A 29 10.978 -18.643 -22.562 1.00 0.00 S ATOM 0 H CYS A 29 9.994 -15.951 -22.110 1.00 0.00 H new ATOM 0 HA CYS A 29 12.345 -16.181 -23.773 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.606 -17.421 -24.108 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.103 -17.942 -24.855 1.00 0.00 H new ATOM 0 HG CYS A 29 10.088 -18.440 -21.636 1.00 0.00 H new ATOM 434 N LYS A 30 11.415 -15.357 -26.054 1.00 0.00 N ATOM 435 CA LYS A 30 11.200 -14.469 -27.188 1.00 0.00 C ATOM 436 C LYS A 30 9.888 -14.792 -27.907 1.00 0.00 C ATOM 437 O LYS A 30 9.397 -14.009 -28.706 1.00 0.00 O ATOM 438 CB LYS A 30 12.391 -14.578 -28.144 1.00 0.00 C ATOM 439 CG LYS A 30 12.385 -13.607 -29.311 1.00 0.00 C ATOM 440 CD LYS A 30 13.637 -13.777 -30.136 1.00 0.00 C ATOM 441 CE LYS A 30 13.694 -12.803 -31.293 1.00 0.00 C ATOM 442 NZ LYS A 30 14.963 -12.948 -32.046 1.00 0.00 N ATOM 0 H LYS A 30 12.099 -16.093 -26.230 1.00 0.00 H new ATOM 0 HA LYS A 30 11.122 -13.444 -26.826 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.307 -14.427 -27.573 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.425 -15.593 -28.539 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.506 -13.778 -29.932 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.320 -12.584 -28.942 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.511 -13.636 -29.500 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.683 -14.797 -30.519 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.849 -12.975 -31.960 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.603 -11.783 -30.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.298 -12.010 -32.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.679 -13.393 -31.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.803 -13.543 -32.884 1.00 0.00 H new ATOM 456 N ALA A 31 9.308 -15.926 -27.595 1.00 0.00 N ATOM 457 CA ALA A 31 8.069 -16.320 -28.236 1.00 0.00 C ATOM 458 C ALA A 31 6.939 -16.347 -27.224 1.00 0.00 C ATOM 459 O ALA A 31 5.764 -16.442 -27.583 1.00 0.00 O ATOM 460 CB ALA A 31 8.228 -17.685 -28.892 1.00 0.00 C ATOM 0 H ALA A 31 9.667 -16.589 -26.908 1.00 0.00 H new ATOM 0 HA ALA A 31 7.825 -15.590 -29.007 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.291 -17.970 -29.370 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.018 -17.639 -29.641 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.489 -18.424 -28.135 1.00 0.00 H new ATOM 466 N CYS A 32 7.290 -16.244 -25.960 1.00 0.00 N ATOM 467 CA CYS A 32 6.302 -16.210 -24.912 1.00 0.00 C ATOM 468 C CYS A 32 5.784 -14.797 -24.685 1.00 0.00 C ATOM 469 O CYS A 32 4.586 -14.541 -24.813 1.00 0.00 O ATOM 470 CB CYS A 32 6.872 -16.792 -23.623 1.00 0.00 C ATOM 471 SG CYS A 32 7.525 -18.479 -23.802 1.00 0.00 S ATOM 0 H CYS A 32 8.255 -16.182 -25.636 1.00 0.00 H new ATOM 0 HA CYS A 32 5.458 -16.824 -25.225 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.669 -16.141 -23.263 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.093 -16.794 -22.861 1.00 0.00 H new ATOM 0 HG CYS A 32 7.725 -18.994 -22.625 1.00 0.00 H new ATOM 476 N ILE A 33 6.691 -13.872 -24.373 1.00 0.00 N ATOM 477 CA ILE A 33 6.290 -12.508 -24.049 1.00 0.00 C ATOM 478 C ILE A 33 5.695 -11.783 -25.256 1.00 0.00 C ATOM 479 O ILE A 33 4.678 -11.113 -25.136 1.00 0.00 O ATOM 480 CB ILE A 33 7.449 -11.675 -23.415 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.950 -10.316 -22.905 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.612 -11.491 -24.380 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.951 -10.410 -21.772 1.00 0.00 C ATOM 0 H ILE A 33 7.696 -14.041 -24.338 1.00 0.00 H new ATOM 0 HA ILE A 33 5.508 -12.598 -23.295 1.00 0.00 H new ATOM 0 HB ILE A 33 7.815 -12.246 -22.561 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.806 -9.728 -22.573 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.494 -9.774 -23.734 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.396 -10.906 -23.898 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.009 -12.466 -24.662 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.266 -10.969 -25.272 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.648 -9.407 -21.470 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.076 -10.969 -22.104 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.408 -10.922 -20.925 1.00 0.00 H new ATOM 495 N ILE A 34 6.295 -11.974 -26.428 1.00 0.00 N ATOM 496 CA ILE A 34 5.851 -11.285 -27.629 1.00 0.00 C ATOM 497 C ILE A 34 4.423 -11.688 -27.998 1.00 0.00 C ATOM 498 O ILE A 34 3.580 -10.834 -28.272 1.00 0.00 O ATOM 499 CB ILE A 34 6.827 -11.471 -28.824 1.00 0.00 C ATOM 500 CG1 ILE A 34 8.154 -10.760 -28.524 1.00 0.00 C ATOM 501 CG2 ILE A 34 6.224 -10.929 -30.115 1.00 0.00 C ATOM 502 CD1 ILE A 34 9.242 -11.006 -29.552 1.00 0.00 C ATOM 0 H ILE A 34 7.088 -12.600 -26.568 1.00 0.00 H new ATOM 0 HA ILE A 34 5.852 -10.219 -27.400 1.00 0.00 H new ATOM 0 HB ILE A 34 7.008 -12.538 -28.958 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.971 -9.688 -28.456 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.513 -11.084 -27.547 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.929 -11.072 -30.934 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.298 -11.461 -30.335 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.013 -9.866 -30.000 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.144 -10.467 -29.263 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.458 -12.073 -29.605 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.907 -10.655 -30.528 1.00 0.00 H new ATOM 514 N LYS A 35 4.126 -12.976 -27.919 1.00 0.00 N ATOM 515 CA LYS A 35 2.817 -13.479 -28.314 1.00 0.00 C ATOM 516 C LYS A 35 1.789 -13.227 -27.203 1.00 0.00 C ATOM 517 O LYS A 35 0.609 -13.523 -27.345 1.00 0.00 O ATOM 518 CB LYS A 35 2.885 -14.980 -28.669 1.00 0.00 C ATOM 519 CG LYS A 35 1.575 -15.568 -29.192 1.00 0.00 C ATOM 520 CD LYS A 35 1.201 -14.996 -30.556 1.00 0.00 C ATOM 521 CE LYS A 35 1.944 -15.699 -31.685 1.00 0.00 C ATOM 522 NZ LYS A 35 1.535 -17.120 -31.813 1.00 0.00 N ATOM 0 H LYS A 35 4.772 -13.692 -27.586 1.00 0.00 H new ATOM 0 HA LYS A 35 2.499 -12.939 -29.206 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.660 -15.128 -29.421 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.190 -15.536 -27.783 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.667 -16.652 -29.265 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.775 -15.363 -28.480 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.127 -15.096 -30.710 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.429 -13.930 -30.579 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.753 -15.180 -32.624 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.017 -15.645 -31.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.768 -17.464 -32.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.040 -17.692 -31.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.510 -17.202 -31.656 1.00 0.00 H new ATOM 536 N SER A 36 2.230 -12.654 -26.109 1.00 0.00 N ATOM 537 CA SER A 36 1.318 -12.332 -25.045 1.00 0.00 C ATOM 538 C SER A 36 1.036 -10.830 -25.024 1.00 0.00 C ATOM 539 O SER A 36 0.028 -10.387 -24.477 1.00 0.00 O ATOM 540 CB SER A 36 1.884 -12.802 -23.702 1.00 0.00 C ATOM 541 OG SER A 36 2.164 -14.202 -23.733 1.00 0.00 O ATOM 0 H SER A 36 3.204 -12.405 -25.935 1.00 0.00 H new ATOM 0 HA SER A 36 0.376 -12.852 -25.218 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.795 -12.249 -23.472 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.171 -12.586 -22.906 1.00 0.00 H new ATOM 0 HG SER A 36 2.941 -14.368 -24.306 1.00 0.00 H new ATOM 547 N ILE A 37 1.896 -10.052 -25.678 1.00 0.00 N ATOM 548 CA ILE A 37 1.743 -8.606 -25.655 1.00 0.00 C ATOM 549 C ILE A 37 1.176 -8.050 -26.961 1.00 0.00 C ATOM 550 O ILE A 37 0.468 -7.046 -26.956 1.00 0.00 O ATOM 551 CB ILE A 37 3.057 -7.875 -25.295 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.161 -8.212 -26.303 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.488 -8.223 -23.876 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.446 -7.445 -26.094 1.00 0.00 C ATOM 0 H ILE A 37 2.690 -10.393 -26.219 1.00 0.00 H new ATOM 0 HA ILE A 37 1.019 -8.410 -24.864 1.00 0.00 H new ATOM 0 HB ILE A 37 2.878 -6.801 -25.343 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.375 -9.279 -26.247 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.792 -8.013 -27.309 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.415 -7.700 -23.639 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.710 -7.920 -23.175 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.648 -9.298 -23.798 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.174 -7.743 -26.849 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.250 -6.376 -26.180 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.842 -7.662 -25.102 1.00 0.00 H new ATOM 566 N ARG A 38 1.451 -8.700 -28.074 1.00 0.00 N ATOM 567 CA ARG A 38 0.897 -8.231 -29.345 1.00 0.00 C ATOM 568 C ARG A 38 -0.364 -8.985 -29.711 1.00 0.00 C ATOM 569 O ARG A 38 -0.965 -8.745 -30.753 1.00 0.00 O ATOM 570 CB ARG A 38 1.928 -8.261 -30.478 1.00 0.00 C ATOM 571 CG ARG A 38 2.492 -9.628 -30.800 1.00 0.00 C ATOM 572 CD ARG A 38 3.474 -9.545 -31.955 1.00 0.00 C ATOM 573 NE ARG A 38 2.805 -9.269 -33.226 1.00 0.00 N ATOM 574 CZ ARG A 38 3.196 -8.353 -34.119 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.173 -7.490 -33.825 1.00 0.00 N ATOM 576 NH2 ARG A 38 2.583 -8.276 -35.296 1.00 0.00 N ATOM 0 H ARG A 38 2.037 -9.533 -28.134 1.00 0.00 H new ATOM 0 HA ARG A 38 0.624 -7.185 -29.204 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.467 -7.855 -31.378 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.752 -7.598 -30.215 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.990 -10.037 -29.921 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.681 -10.311 -31.054 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.205 -8.762 -31.753 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.024 -10.483 -32.031 1.00 0.00 H new ATOM 0 HE ARG A 38 1.975 -9.818 -33.449 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.628 -7.526 -32.913 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.464 -6.795 -34.513 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.818 -8.914 -35.515 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.878 -7.579 -35.980 1.00 0.00 H new ATOM 590 N ASP A 39 -0.772 -9.875 -28.832 1.00 0.00 N ATOM 591 CA ASP A 39 -1.971 -10.664 -29.045 1.00 0.00 C ATOM 592 C ASP A 39 -3.030 -10.353 -27.999 1.00 0.00 C ATOM 593 O ASP A 39 -4.154 -9.993 -28.340 1.00 0.00 O ATOM 594 CB ASP A 39 -1.647 -12.154 -29.062 1.00 0.00 C ATOM 595 CG ASP A 39 -2.879 -13.016 -29.188 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.650 -12.838 -30.156 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.097 -13.873 -28.313 1.00 0.00 O ATOM 0 H ASP A 39 -0.288 -10.073 -27.956 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.376 -10.393 -30.020 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.974 -12.366 -29.893 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.117 -12.417 -28.147 1.00 0.00 H new ATOM 602 N ALA A 40 -2.668 -10.471 -26.728 1.00 0.00 N ATOM 603 CA ALA A 40 -3.596 -10.161 -25.645 1.00 0.00 C ATOM 604 C ALA A 40 -3.597 -8.660 -25.353 1.00 0.00 C ATOM 605 O ALA A 40 -4.575 -7.959 -25.634 1.00 0.00 O ATOM 606 CB ALA A 40 -3.251 -10.961 -24.397 1.00 0.00 C ATOM 0 H ALA A 40 -1.745 -10.777 -26.422 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.601 -10.445 -25.958 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.954 -10.715 -23.601 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.312 -12.026 -24.619 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.239 -10.715 -24.075 1.00 0.00 H new ATOM 612 N GLY A 41 -2.506 -8.167 -24.810 1.00 0.00 N ATOM 613 CA GLY A 41 -2.375 -6.750 -24.554 1.00 0.00 C ATOM 614 C GLY A 41 -0.943 -6.401 -24.288 1.00 0.00 C ATOM 615 O GLY A 41 -0.180 -7.257 -23.857 1.00 0.00 O ATOM 0 H GLY A 41 -1.697 -8.726 -24.537 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.742 -6.183 -25.410 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.990 -6.469 -23.699 1.00 0.00 H new ATOM 619 N HIS A 42 -0.563 -5.162 -24.529 1.00 0.00 N ATOM 620 CA HIS A 42 0.827 -4.760 -24.351 1.00 0.00 C ATOM 621 C HIS A 42 1.153 -4.492 -22.885 1.00 0.00 C ATOM 622 O HIS A 42 1.339 -3.346 -22.468 1.00 0.00 O ATOM 623 CB HIS A 42 1.212 -3.557 -25.236 1.00 0.00 C ATOM 624 CG HIS A 42 1.375 -3.879 -26.700 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.458 -3.521 -27.672 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.372 -4.527 -27.355 1.00 0.00 C ATOM 627 CE1 HIS A 42 0.883 -3.937 -28.852 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.040 -4.550 -28.688 1.00 0.00 N ATOM 0 H HIS A 42 -1.186 -4.419 -24.846 1.00 0.00 H new ATOM 0 HA HIS A 42 1.435 -5.603 -24.680 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.449 -2.786 -25.130 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.145 -3.134 -24.865 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.262 -4.947 -26.910 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.370 -3.799 -29.792 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.597 -4.972 -29.430 1.00 0.00 H new ATOM 637 N LYS A 43 1.194 -5.551 -22.105 1.00 0.00 N ATOM 638 CA LYS A 43 1.519 -5.453 -20.706 1.00 0.00 C ATOM 639 C LYS A 43 2.310 -6.665 -20.247 1.00 0.00 C ATOM 640 O LYS A 43 2.193 -7.753 -20.817 1.00 0.00 O ATOM 641 CB LYS A 43 0.252 -5.289 -19.849 1.00 0.00 C ATOM 642 CG LYS A 43 -0.675 -6.502 -19.846 1.00 0.00 C ATOM 643 CD LYS A 43 -1.877 -6.316 -18.917 1.00 0.00 C ATOM 644 CE LYS A 43 -2.944 -5.389 -19.504 1.00 0.00 C ATOM 645 NZ LYS A 43 -2.596 -3.952 -19.370 1.00 0.00 N ATOM 0 H LYS A 43 1.003 -6.500 -22.426 1.00 0.00 H new ATOM 0 HA LYS A 43 2.137 -4.565 -20.575 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.549 -5.073 -18.823 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.305 -4.424 -20.209 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.029 -6.688 -20.860 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.114 -7.384 -19.537 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.323 -7.289 -18.708 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.535 -5.911 -17.965 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.085 -5.627 -20.558 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.895 -5.576 -19.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.432 -3.420 -19.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.833 -3.843 -18.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.278 -3.585 -20.290 1.00 0.00 H new ATOM 659 N CYS A 44 3.118 -6.457 -19.235 1.00 0.00 N ATOM 660 CA CYS A 44 3.858 -7.505 -18.599 1.00 0.00 C ATOM 661 C CYS A 44 2.874 -8.311 -17.742 1.00 0.00 C ATOM 662 O CYS A 44 2.200 -7.751 -16.875 1.00 0.00 O ATOM 663 CB CYS A 44 4.948 -6.851 -17.732 1.00 0.00 C ATOM 664 SG CYS A 44 6.073 -7.976 -16.835 1.00 0.00 S ATOM 0 H CYS A 44 3.278 -5.536 -18.828 1.00 0.00 H new ATOM 0 HA CYS A 44 4.334 -8.173 -19.317 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.551 -6.208 -18.373 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.459 -6.206 -17.002 1.00 0.00 H new ATOM 0 HG CYS A 44 6.028 -7.712 -15.563 1.00 0.00 H new ATOM 669 N PRO A 45 2.774 -9.630 -17.985 1.00 0.00 N ATOM 670 CA PRO A 45 1.753 -10.493 -17.359 1.00 0.00 C ATOM 671 C PRO A 45 1.778 -10.489 -15.832 1.00 0.00 C ATOM 672 O PRO A 45 0.733 -10.588 -15.185 1.00 0.00 O ATOM 673 CB PRO A 45 2.108 -11.889 -17.881 1.00 0.00 C ATOM 674 CG PRO A 45 2.826 -11.630 -19.153 1.00 0.00 C ATOM 675 CD PRO A 45 3.629 -10.390 -18.912 1.00 0.00 C ATOM 0 HA PRO A 45 0.750 -10.147 -17.610 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.735 -12.431 -17.173 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.215 -12.492 -18.043 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.469 -12.469 -19.419 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.127 -11.491 -19.977 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.602 -10.615 -18.474 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.814 -9.841 -19.835 1.00 0.00 H new ATOM 683 N VAL A 46 2.957 -10.370 -15.259 1.00 0.00 N ATOM 684 CA VAL A 46 3.102 -10.518 -13.825 1.00 0.00 C ATOM 685 C VAL A 46 2.786 -9.249 -13.025 1.00 0.00 C ATOM 686 O VAL A 46 1.994 -9.294 -12.083 1.00 0.00 O ATOM 687 CB VAL A 46 4.475 -11.108 -13.421 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.546 -12.574 -13.811 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.606 -10.342 -14.085 1.00 0.00 C ATOM 0 H VAL A 46 3.824 -10.173 -15.759 1.00 0.00 H new ATOM 0 HA VAL A 46 2.335 -11.243 -13.552 1.00 0.00 H new ATOM 0 HB VAL A 46 4.583 -11.018 -12.340 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.515 -12.981 -13.523 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.755 -13.125 -13.301 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.418 -12.670 -14.889 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.562 -10.773 -13.787 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.501 -10.405 -15.168 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.568 -9.297 -13.777 1.00 0.00 H new ATOM 699 N ASP A 47 3.377 -8.124 -13.396 1.00 0.00 N ATOM 700 CA ASP A 47 3.214 -6.896 -12.608 1.00 0.00 C ATOM 701 C ASP A 47 2.266 -5.907 -13.267 1.00 0.00 C ATOM 702 O ASP A 47 2.084 -4.796 -12.773 1.00 0.00 O ATOM 703 CB ASP A 47 4.577 -6.231 -12.343 1.00 0.00 C ATOM 704 CG ASP A 47 5.350 -5.892 -13.605 1.00 0.00 C ATOM 705 OD1 ASP A 47 4.912 -6.231 -14.704 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.445 -5.328 -13.522 1.00 0.00 O ATOM 0 H ASP A 47 3.966 -8.028 -14.223 1.00 0.00 H new ATOM 0 HA ASP A 47 2.770 -7.189 -11.657 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.420 -5.318 -11.768 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.181 -6.896 -11.726 1.00 0.00 H new ATOM 711 N ASN A 48 1.656 -6.327 -14.369 1.00 0.00 N ATOM 712 CA ASN A 48 0.660 -5.532 -15.105 1.00 0.00 C ATOM 713 C ASN A 48 1.205 -4.161 -15.525 1.00 0.00 C ATOM 714 O ASN A 48 0.460 -3.175 -15.612 1.00 0.00 O ATOM 715 CB ASN A 48 -0.644 -5.375 -14.302 1.00 0.00 C ATOM 716 CG ASN A 48 -1.393 -6.686 -14.128 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.311 -7.580 -14.971 1.00 0.00 O ATOM 718 ND2 ASN A 48 -2.134 -6.803 -13.046 1.00 0.00 N ATOM 0 H ASN A 48 1.836 -7.239 -14.788 1.00 0.00 H new ATOM 0 HA ASN A 48 0.435 -6.087 -16.016 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.413 -4.962 -13.320 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.291 -4.657 -14.806 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.667 -7.657 -12.883 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.175 -6.039 -12.371 1.00 0.00 H new ATOM 725 N GLU A 49 2.490 -4.106 -15.808 1.00 0.00 N ATOM 726 CA GLU A 49 3.116 -2.900 -16.339 1.00 0.00 C ATOM 727 C GLU A 49 3.010 -2.899 -17.845 1.00 0.00 C ATOM 728 O GLU A 49 2.990 -3.954 -18.451 1.00 0.00 O ATOM 729 CB GLU A 49 4.583 -2.831 -15.922 1.00 0.00 C ATOM 730 CG GLU A 49 4.803 -2.516 -14.452 1.00 0.00 C ATOM 731 CD GLU A 49 4.372 -1.112 -14.105 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.934 -0.147 -14.692 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.482 -0.944 -13.257 1.00 0.00 O ATOM 0 H GLU A 49 3.132 -4.888 -15.679 1.00 0.00 H new ATOM 0 HA GLU A 49 2.601 -2.028 -15.937 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.059 -3.784 -16.152 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.084 -2.072 -16.523 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.247 -3.227 -13.841 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.858 -2.642 -14.208 1.00 0.00 H new ATOM 740 N ILE A 50 2.922 -1.733 -18.446 1.00 0.00 N ATOM 741 CA ILE A 50 2.867 -1.649 -19.896 1.00 0.00 C ATOM 742 C ILE A 50 4.189 -2.104 -20.482 1.00 0.00 C ATOM 743 O ILE A 50 5.248 -1.548 -20.173 1.00 0.00 O ATOM 744 CB ILE A 50 2.540 -0.217 -20.385 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.156 0.213 -19.887 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.610 -0.130 -21.907 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.019 -0.649 -20.404 1.00 0.00 C ATOM 0 H ILE A 50 2.887 -0.836 -17.962 1.00 0.00 H new ATOM 0 HA ILE A 50 2.063 -2.302 -20.236 1.00 0.00 H new ATOM 0 HB ILE A 50 3.287 0.462 -19.973 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.150 0.189 -18.797 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.979 1.247 -20.184 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.376 0.886 -22.224 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.614 -0.392 -22.241 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.890 -0.822 -22.344 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.927 -0.280 -20.007 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.004 -0.607 -21.493 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.170 -1.680 -20.084 1.00 0.00 H new ATOM 759 N LEU A 51 4.121 -3.117 -21.307 1.00 0.00 N ATOM 760 CA LEU A 51 5.298 -3.701 -21.876 1.00 0.00 C ATOM 761 C LEU A 51 5.197 -3.611 -23.386 1.00 0.00 C ATOM 762 O LEU A 51 4.266 -4.144 -23.987 1.00 0.00 O ATOM 763 CB LEU A 51 5.427 -5.160 -21.395 1.00 0.00 C ATOM 764 CG LEU A 51 6.788 -5.867 -21.575 1.00 0.00 C ATOM 765 CD1 LEU A 51 7.093 -6.169 -23.027 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.897 -5.040 -20.958 1.00 0.00 C ATOM 0 H LEU A 51 3.248 -3.556 -21.600 1.00 0.00 H new ATOM 0 HA LEU A 51 6.194 -3.168 -21.557 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.176 -5.185 -20.335 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.673 -5.751 -21.915 1.00 0.00 H new ATOM 0 HG LEU A 51 6.726 -6.824 -21.057 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.060 -6.666 -23.100 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.319 -6.820 -23.434 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.119 -5.239 -23.594 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.850 -5.551 -21.093 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.937 -4.065 -21.443 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.703 -4.908 -19.893 1.00 0.00 H new ATOM 778 N LEU A 52 6.136 -2.930 -23.990 1.00 0.00 N ATOM 779 CA LEU A 52 6.125 -2.754 -25.425 1.00 0.00 C ATOM 780 C LEU A 52 7.133 -3.691 -26.074 1.00 0.00 C ATOM 781 O LEU A 52 8.127 -4.072 -25.455 1.00 0.00 O ATOM 782 CB LEU A 52 6.395 -1.292 -25.837 1.00 0.00 C ATOM 783 CG LEU A 52 5.448 -0.200 -25.290 1.00 0.00 C ATOM 784 CD1 LEU A 52 3.986 -0.593 -25.442 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.785 0.167 -23.849 1.00 0.00 C ATOM 0 H LEU A 52 6.921 -2.486 -23.513 1.00 0.00 H new ATOM 0 HA LEU A 52 5.125 -3.003 -25.779 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.410 -1.040 -25.529 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.370 -1.241 -26.926 1.00 0.00 H new ATOM 0 HG LEU A 52 5.605 0.693 -25.896 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.353 0.201 -25.046 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.758 -0.746 -26.497 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.798 -1.515 -24.892 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.098 0.938 -23.500 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.691 -0.716 -23.217 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.807 0.542 -23.799 1.00 0.00 H new ATOM 797 N GLU A 53 6.876 -4.038 -27.322 1.00 0.00 N ATOM 798 CA GLU A 53 7.660 -5.026 -28.062 1.00 0.00 C ATOM 799 C GLU A 53 9.113 -4.564 -28.254 1.00 0.00 C ATOM 800 O GLU A 53 10.052 -5.348 -28.122 1.00 0.00 O ATOM 801 CB GLU A 53 6.982 -5.262 -29.414 1.00 0.00 C ATOM 802 CG GLU A 53 5.628 -5.946 -29.287 1.00 0.00 C ATOM 803 CD GLU A 53 4.854 -5.991 -30.580 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.338 -6.580 -31.564 1.00 0.00 O ATOM 805 OE2 GLU A 53 3.734 -5.429 -30.615 1.00 0.00 O ATOM 0 H GLU A 53 6.108 -3.640 -27.862 1.00 0.00 H new ATOM 0 HA GLU A 53 7.698 -5.956 -27.494 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.854 -4.306 -29.922 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.634 -5.871 -30.040 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.776 -6.964 -28.926 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.035 -5.424 -28.536 1.00 0.00 H new ATOM 812 N ASN A 54 9.281 -3.287 -28.534 1.00 0.00 N ATOM 813 CA ASN A 54 10.605 -2.683 -28.741 1.00 0.00 C ATOM 814 C ASN A 54 11.432 -2.634 -27.458 1.00 0.00 C ATOM 815 O ASN A 54 12.653 -2.523 -27.506 1.00 0.00 O ATOM 816 CB ASN A 54 10.484 -1.275 -29.339 1.00 0.00 C ATOM 817 CG ASN A 54 10.024 -1.281 -30.785 1.00 0.00 C ATOM 818 OD1 ASN A 54 10.272 -2.232 -31.525 1.00 0.00 O ATOM 819 ND2 ASN A 54 9.354 -0.224 -31.199 1.00 0.00 N ATOM 0 H ASN A 54 8.508 -2.628 -28.627 1.00 0.00 H new ATOM 0 HA ASN A 54 11.129 -3.327 -29.448 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.782 -0.692 -28.743 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.450 -0.774 -29.273 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.022 -0.176 -32.162 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.167 0.546 -30.556 1.00 0.00 H new ATOM 826 N GLN A 55 10.757 -2.714 -26.324 1.00 0.00 N ATOM 827 CA GLN A 55 11.375 -2.522 -25.012 1.00 0.00 C ATOM 828 C GLN A 55 12.220 -3.725 -24.571 1.00 0.00 C ATOM 829 O GLN A 55 12.949 -3.642 -23.581 1.00 0.00 O ATOM 830 CB GLN A 55 10.304 -2.229 -23.967 1.00 0.00 C ATOM 831 CG GLN A 55 9.520 -0.955 -24.231 1.00 0.00 C ATOM 832 CD GLN A 55 10.350 0.299 -24.119 1.00 0.00 C ATOM 833 OE1 GLN A 55 10.958 0.738 -25.091 1.00 0.00 O ATOM 834 NE2 GLN A 55 10.360 0.899 -22.948 1.00 0.00 N ATOM 0 H GLN A 55 9.758 -2.915 -26.282 1.00 0.00 H new ATOM 0 HA GLN A 55 12.051 -1.671 -25.101 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.611 -3.069 -23.926 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.776 -2.157 -22.987 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.086 -1.006 -25.230 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.691 -0.896 -23.526 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.841 0.500 -22.166 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.887 1.763 -22.822 1.00 0.00 H new ATOM 843 N LEU A 56 12.125 -4.828 -25.298 1.00 0.00 N ATOM 844 CA LEU A 56 12.809 -6.061 -24.909 1.00 0.00 C ATOM 845 C LEU A 56 14.324 -5.977 -25.126 1.00 0.00 C ATOM 846 O LEU A 56 14.792 -5.454 -26.146 1.00 0.00 O ATOM 847 CB LEU A 56 12.243 -7.247 -25.694 1.00 0.00 C ATOM 848 CG LEU A 56 10.760 -7.548 -25.488 1.00 0.00 C ATOM 849 CD1 LEU A 56 10.327 -8.708 -26.365 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.464 -7.844 -24.025 1.00 0.00 C ATOM 0 H LEU A 56 11.583 -4.899 -26.159 1.00 0.00 H new ATOM 0 HA LEU A 56 12.634 -6.203 -23.843 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.411 -7.066 -26.756 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.813 -8.137 -25.428 1.00 0.00 H new ATOM 0 HG LEU A 56 10.190 -6.664 -25.776 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.268 -8.909 -26.206 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.495 -8.455 -27.412 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.907 -9.594 -26.108 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.401 -8.055 -23.904 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.045 -8.709 -23.704 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.734 -6.980 -23.417 1.00 0.00 H new