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 54 ASN : amide:sc= 0.975 K(o=1.7,f=-0.18) USER MOD Set 1.2: A 55 GLN : amide:sc= 0.693 K(o=1.7,f=-0.32) USER MOD Set 2.1: A 22 THR OG1 : rot 149:sc= 2.06 USER MOD Set 2.2: A 24 CYS SG : rot -170:sc= -1.62! USER MOD Set 2.3: A 26 HIS : no HE2:sc= -5.37! K(o=-3.7!,f=4.2) USER MOD Set 2.4: A 44 CYS SG : rot 142:sc= 1.24 USER MOD Set 3.1: A 9 CYS SG : rot -161:sc= 0.893 USER MOD Set 3.2: A 12 CYS SG : rot -71:sc= 0.308 USER MOD Set 3.3: A 14 MET CE :methyl -113:sc= -0.816 (180deg=-2!) USER MOD Set 3.4: A 29 CYS SG : rot 121:sc= 0.595 USER MOD Set 3.5: A 32 CYS SG : rot -164:sc= -2.31! USER MOD Single : A 21 GLN : amide:sc= 0.652 K(o=0.65,f=-4.6!) USER MOD Single : A 30 LYS NZ :NH3+ 171:sc=-0.000656 (180deg=-0.0937) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0.934 (180deg=0.784) USER MOD Single : A 36 SER OG : rot 74:sc= 0.905 USER MOD Single : A 42 HIS : no HD1:sc= 1.11 K(o=1.1,f=-4.9!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -1.32! K(o=-1.3!,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 13.185 -17.877 -15.206 1.00 0.00 N ATOM 105 CA GLU A 8 12.362 -18.825 -15.900 1.00 0.00 C ATOM 106 C GLU A 8 11.150 -18.107 -16.458 1.00 0.00 C ATOM 107 O GLU A 8 10.376 -17.539 -15.695 1.00 0.00 O ATOM 108 CB GLU A 8 11.911 -19.909 -14.942 1.00 0.00 C ATOM 109 CG GLU A 8 11.045 -20.974 -15.573 1.00 0.00 C ATOM 110 CD GLU A 8 10.596 -21.981 -14.564 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.641 -21.690 -13.819 1.00 0.00 O ATOM 112 OE2 GLU A 8 11.199 -23.070 -14.488 1.00 0.00 O ATOM 0 HA GLU A 8 12.930 -19.280 -16.711 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.791 -20.383 -14.507 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.360 -19.447 -14.122 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.175 -20.510 -16.038 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.601 -21.474 -16.366 1.00 0.00 H new ATOM 119 N CYS A 9 10.998 -18.136 -17.773 1.00 0.00 N ATOM 120 CA CYS A 9 9.871 -17.510 -18.453 1.00 0.00 C ATOM 121 C CYS A 9 8.556 -18.113 -17.950 1.00 0.00 C ATOM 122 O CYS A 9 8.239 -19.265 -18.259 1.00 0.00 O ATOM 123 CB CYS A 9 10.028 -17.737 -19.964 1.00 0.00 C ATOM 124 SG CYS A 9 8.681 -17.113 -21.025 1.00 0.00 S ATOM 0 H CYS A 9 11.655 -18.596 -18.403 1.00 0.00 H new ATOM 0 HA CYS A 9 9.852 -16.440 -18.245 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.959 -17.270 -20.284 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.132 -18.808 -20.139 1.00 0.00 H new ATOM 0 HG CYS A 9 8.729 -17.706 -22.181 1.00 0.00 H new ATOM 129 N PRO A 10 7.777 -17.347 -17.154 1.00 0.00 N ATOM 130 CA PRO A 10 6.530 -17.839 -16.545 1.00 0.00 C ATOM 131 C PRO A 10 5.464 -18.155 -17.582 1.00 0.00 C ATOM 132 O PRO A 10 4.533 -18.909 -17.316 1.00 0.00 O ATOM 133 CB PRO A 10 6.063 -16.657 -15.680 1.00 0.00 C ATOM 134 CG PRO A 10 7.281 -15.827 -15.486 1.00 0.00 C ATOM 135 CD PRO A 10 8.059 -15.960 -16.758 1.00 0.00 C ATOM 0 HA PRO A 10 6.693 -18.765 -15.994 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.273 -16.092 -16.175 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.661 -16.999 -14.726 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.021 -14.787 -15.292 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.862 -16.175 -14.632 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.729 -15.246 -17.513 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.124 -15.790 -16.603 1.00 0.00 H new ATOM 143 N ILE A 11 5.613 -17.585 -18.764 1.00 0.00 N ATOM 144 CA ILE A 11 4.655 -17.787 -19.831 1.00 0.00 C ATOM 145 C ILE A 11 4.662 -19.244 -20.298 1.00 0.00 C ATOM 146 O ILE A 11 3.602 -19.850 -20.490 1.00 0.00 O ATOM 147 CB ILE A 11 4.920 -16.828 -21.014 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.658 -15.385 -20.569 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.034 -17.183 -22.207 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.081 -14.345 -21.577 1.00 0.00 C ATOM 0 H ILE A 11 6.394 -16.975 -19.008 1.00 0.00 H new ATOM 0 HA ILE A 11 3.665 -17.560 -19.436 1.00 0.00 H new ATOM 0 HB ILE A 11 5.960 -16.928 -21.324 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.594 -15.266 -20.365 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.185 -15.203 -19.632 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.237 -16.496 -23.028 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.246 -18.203 -22.527 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.986 -17.104 -21.918 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.862 -13.351 -21.188 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.151 -14.434 -21.764 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.536 -14.498 -22.508 1.00 0.00 H new ATOM 162 N CYS A 12 5.851 -19.808 -20.461 1.00 0.00 N ATOM 163 CA CYS A 12 5.968 -21.187 -20.889 1.00 0.00 C ATOM 164 C CYS A 12 6.219 -22.112 -19.702 1.00 0.00 C ATOM 165 O CYS A 12 5.868 -23.290 -19.738 1.00 0.00 O ATOM 166 CB CYS A 12 7.073 -21.334 -21.938 1.00 0.00 C ATOM 167 SG CYS A 12 8.708 -20.708 -21.423 1.00 0.00 S ATOM 0 H CYS A 12 6.740 -19.333 -20.304 1.00 0.00 H new ATOM 0 HA CYS A 12 5.022 -21.480 -21.345 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.169 -22.388 -22.198 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.767 -20.809 -22.843 1.00 0.00 H new ATOM 0 HG CYS A 12 8.680 -19.409 -21.375 1.00 0.00 H new ATOM 172 N LEU A 13 6.824 -21.551 -18.653 1.00 0.00 N ATOM 173 CA LEU A 13 7.195 -22.275 -17.429 1.00 0.00 C ATOM 174 C LEU A 13 8.266 -23.326 -17.706 1.00 0.00 C ATOM 175 O LEU A 13 8.453 -24.257 -16.919 1.00 0.00 O ATOM 176 CB LEU A 13 5.963 -22.925 -16.767 1.00 0.00 C ATOM 177 CG LEU A 13 4.917 -21.972 -16.185 1.00 0.00 C ATOM 178 CD1 LEU A 13 3.680 -22.745 -15.751 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.493 -21.202 -15.006 1.00 0.00 C ATOM 0 H LEU A 13 7.076 -20.563 -18.627 1.00 0.00 H new ATOM 0 HA LEU A 13 7.609 -21.543 -16.736 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.473 -23.558 -17.506 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.311 -23.579 -15.967 1.00 0.00 H new ATOM 0 HG LEU A 13 4.633 -21.260 -16.960 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.945 -22.054 -15.339 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.252 -23.260 -16.611 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.956 -23.476 -14.991 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.735 -20.529 -14.605 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.803 -21.902 -14.231 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.355 -20.622 -15.336 1.00 0.00 H new ATOM 191 N MET A 14 8.993 -23.159 -18.803 1.00 0.00 N ATOM 192 CA MET A 14 10.078 -24.070 -19.126 1.00 0.00 C ATOM 193 C MET A 14 11.414 -23.482 -18.696 1.00 0.00 C ATOM 194 O MET A 14 12.055 -23.973 -17.765 1.00 0.00 O ATOM 195 CB MET A 14 10.119 -24.380 -20.628 1.00 0.00 C ATOM 196 CG MET A 14 8.912 -25.136 -21.164 1.00 0.00 C ATOM 197 SD MET A 14 9.090 -25.560 -22.913 1.00 0.00 S ATOM 198 CE MET A 14 9.070 -23.936 -23.669 1.00 0.00 C ATOM 0 H MET A 14 8.851 -22.407 -19.478 1.00 0.00 H new ATOM 0 HA MET A 14 9.897 -24.998 -18.584 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.213 -23.442 -21.175 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.016 -24.962 -20.839 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.770 -26.048 -20.584 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.017 -24.529 -21.029 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.166 -23.825 -24.268 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.086 -23.172 -22.891 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.945 -23.821 -24.308 1.00 0.00 H new ATOM 208 N ALA A 15 11.804 -22.405 -19.366 1.00 0.00 N ATOM 209 CA ALA A 15 13.087 -21.742 -19.164 1.00 0.00 C ATOM 210 C ALA A 15 13.149 -20.534 -20.083 1.00 0.00 C ATOM 211 O ALA A 15 12.152 -20.204 -20.719 1.00 0.00 O ATOM 212 CB ALA A 15 14.233 -22.701 -19.490 1.00 0.00 C ATOM 0 H ALA A 15 11.227 -21.959 -20.079 1.00 0.00 H new ATOM 0 HA ALA A 15 13.185 -21.431 -18.124 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.186 -22.195 -19.336 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.175 -23.572 -18.838 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.156 -23.020 -20.529 1.00 0.00 H new ATOM 218 N LEU A 16 14.295 -19.885 -20.157 1.00 0.00 N ATOM 219 CA LEU A 16 14.475 -18.760 -21.061 1.00 0.00 C ATOM 220 C LEU A 16 15.222 -19.224 -22.291 1.00 0.00 C ATOM 221 O LEU A 16 16.403 -19.542 -22.208 1.00 0.00 O ATOM 222 CB LEU A 16 15.317 -17.673 -20.388 1.00 0.00 C ATOM 223 CG LEU A 16 14.782 -17.074 -19.097 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.754 -16.046 -18.554 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.427 -16.446 -19.325 1.00 0.00 C ATOM 0 H LEU A 16 15.119 -20.116 -19.601 1.00 0.00 H new ATOM 0 HA LEU A 16 13.494 -18.365 -21.325 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.303 -18.089 -20.183 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.455 -16.863 -21.104 1.00 0.00 H new ATOM 0 HG LEU A 16 14.672 -17.873 -18.364 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.359 -15.625 -17.630 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.714 -16.522 -18.355 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.889 -15.250 -19.287 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.060 -16.023 -18.390 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.513 -15.657 -20.072 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.729 -17.205 -19.678 1.00 0.00 H new ATOM 237 N ARG A 17 14.547 -19.312 -23.424 1.00 0.00 N ATOM 238 CA ARG A 17 15.255 -19.647 -24.652 1.00 0.00 C ATOM 239 C ARG A 17 16.080 -18.475 -25.141 1.00 0.00 C ATOM 240 O ARG A 17 17.237 -18.625 -25.500 1.00 0.00 O ATOM 241 CB ARG A 17 14.307 -20.135 -25.752 1.00 0.00 C ATOM 242 CG ARG A 17 15.013 -20.510 -27.056 1.00 0.00 C ATOM 243 CD ARG A 17 15.977 -21.676 -26.854 1.00 0.00 C ATOM 244 NE ARG A 17 16.660 -22.059 -28.093 1.00 0.00 N ATOM 245 CZ ARG A 17 17.796 -22.771 -28.149 1.00 0.00 C ATOM 246 NH1 ARG A 17 18.385 -23.181 -27.034 1.00 0.00 N ATOM 247 NH2 ARG A 17 18.337 -23.076 -29.327 1.00 0.00 N ATOM 0 H ARG A 17 13.543 -19.162 -23.523 1.00 0.00 H new ATOM 0 HA ARG A 17 15.928 -20.471 -24.414 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.757 -21.002 -25.386 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.574 -19.356 -25.958 1.00 0.00 H new ATOM 0 HG2 ARG A 17 14.271 -20.776 -27.809 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.559 -19.647 -27.437 1.00 0.00 H new ATOM 0 HD2 ARG A 17 16.719 -21.404 -26.103 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.429 -22.534 -26.465 1.00 0.00 H new ATOM 0 HE ARG A 17 16.242 -21.763 -28.975 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.975 -22.955 -26.128 1.00 0.00 H new ATOM 0 HH12 ARG A 17 19.248 -23.722 -27.082 1.00 0.00 H new ATOM 0 HH21 ARG A 17 17.888 -22.768 -30.190 1.00 0.00 H new ATOM 0 HH22 ARG A 17 19.201 -23.617 -29.367 1.00 0.00 H new ATOM 261 N GLU A 18 15.479 -17.304 -25.130 1.00 0.00 N ATOM 262 CA GLU A 18 16.136 -16.127 -25.667 1.00 0.00 C ATOM 263 C GLU A 18 16.624 -15.223 -24.543 1.00 0.00 C ATOM 264 O GLU A 18 17.530 -14.430 -24.730 1.00 0.00 O ATOM 265 CB GLU A 18 15.120 -15.366 -26.517 1.00 0.00 C ATOM 266 CG GLU A 18 14.599 -16.147 -27.716 1.00 0.00 C ATOM 267 CD GLU A 18 15.640 -16.378 -28.782 1.00 0.00 C ATOM 268 OE1 GLU A 18 16.080 -15.398 -29.421 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.023 -17.536 -29.011 1.00 0.00 O ATOM 0 H GLU A 18 14.543 -17.140 -24.758 1.00 0.00 H new ATOM 0 HA GLU A 18 16.997 -16.430 -26.263 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.276 -15.083 -25.888 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.578 -14.442 -26.871 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.220 -17.110 -27.375 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.757 -15.609 -28.152 1.00 0.00 H new ATOM 276 N ALA A 19 16.058 -15.419 -23.359 1.00 0.00 N ATOM 277 CA ALA A 19 16.308 -14.547 -22.210 1.00 0.00 C ATOM 278 C ALA A 19 16.243 -13.059 -22.585 1.00 0.00 C ATOM 279 O ALA A 19 17.273 -12.377 -22.656 1.00 0.00 O ATOM 280 CB ALA A 19 17.624 -14.889 -21.519 1.00 0.00 C ATOM 0 H ALA A 19 15.413 -16.185 -23.164 1.00 0.00 H new ATOM 0 HA ALA A 19 15.504 -14.731 -21.497 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.774 -14.220 -20.671 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.593 -15.920 -21.167 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.447 -14.771 -22.224 1.00 0.00 H new ATOM 286 N VAL A 20 15.043 -12.571 -22.852 1.00 0.00 N ATOM 287 CA VAL A 20 14.861 -11.165 -23.152 1.00 0.00 C ATOM 288 C VAL A 20 14.363 -10.439 -21.918 1.00 0.00 C ATOM 289 O VAL A 20 13.272 -10.711 -21.400 1.00 0.00 O ATOM 290 CB VAL A 20 13.936 -10.894 -24.382 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.576 -11.415 -25.658 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.548 -11.498 -24.204 1.00 0.00 C ATOM 0 H VAL A 20 14.187 -13.125 -22.867 1.00 0.00 H new ATOM 0 HA VAL A 20 15.837 -10.775 -23.439 1.00 0.00 H new ATOM 0 HB VAL A 20 13.815 -9.813 -24.458 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.917 -11.217 -26.503 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.531 -10.914 -25.817 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.741 -12.489 -25.570 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.942 -11.283 -25.084 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.634 -12.577 -24.077 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.074 -11.066 -23.323 1.00 0.00 H new ATOM 302 N GLN A 21 15.200 -9.577 -21.407 1.00 0.00 N ATOM 303 CA GLN A 21 14.898 -8.847 -20.205 1.00 0.00 C ATOM 304 C GLN A 21 14.020 -7.631 -20.513 1.00 0.00 C ATOM 305 O GLN A 21 14.248 -6.922 -21.497 1.00 0.00 O ATOM 306 CB GLN A 21 16.196 -8.479 -19.481 1.00 0.00 C ATOM 307 CG GLN A 21 16.014 -7.872 -18.103 1.00 0.00 C ATOM 308 CD GLN A 21 17.332 -7.730 -17.373 1.00 0.00 C ATOM 309 OE1 GLN A 21 17.782 -8.666 -16.701 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.962 -6.585 -17.498 1.00 0.00 N ATOM 0 H GLN A 21 16.111 -9.361 -21.812 1.00 0.00 H new ATOM 0 HA GLN A 21 14.319 -9.477 -19.530 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.809 -9.376 -19.388 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.752 -7.776 -20.100 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.543 -6.894 -18.196 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.339 -8.496 -17.517 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.556 -5.838 -18.062 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.858 -6.442 -17.031 1.00 0.00 H new ATOM 319 N THR A 22 13.004 -7.432 -19.702 1.00 0.00 N ATOM 320 CA THR A 22 12.100 -6.312 -19.846 1.00 0.00 C ATOM 321 C THR A 22 12.630 -5.122 -19.039 1.00 0.00 C ATOM 322 O THR A 22 13.474 -5.307 -18.156 1.00 0.00 O ATOM 323 CB THR A 22 10.693 -6.695 -19.320 1.00 0.00 C ATOM 324 OG1 THR A 22 10.768 -7.047 -17.924 1.00 0.00 O ATOM 325 CG2 THR A 22 10.133 -7.875 -20.101 1.00 0.00 C ATOM 0 H THR A 22 12.781 -8.047 -18.919 1.00 0.00 H new ATOM 0 HA THR A 22 12.031 -6.045 -20.900 1.00 0.00 H new ATOM 0 HB THR A 22 10.035 -5.836 -19.449 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.928 -6.806 -17.480 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.145 -8.129 -19.717 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.056 -7.610 -21.155 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.797 -8.732 -19.990 1.00 0.00 H new ATOM 333 N PRO A 23 12.154 -3.885 -19.311 1.00 0.00 N ATOM 334 CA PRO A 23 12.568 -2.698 -18.550 1.00 0.00 C ATOM 335 C PRO A 23 12.233 -2.803 -17.051 1.00 0.00 C ATOM 336 O PRO A 23 12.920 -2.220 -16.211 1.00 0.00 O ATOM 337 CB PRO A 23 11.785 -1.551 -19.209 1.00 0.00 C ATOM 338 CG PRO A 23 10.658 -2.216 -19.919 1.00 0.00 C ATOM 339 CD PRO A 23 11.209 -3.526 -20.393 1.00 0.00 C ATOM 0 HA PRO A 23 13.649 -2.559 -18.579 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.420 -0.843 -18.465 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.413 -0.991 -19.902 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.807 -2.364 -19.254 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.308 -1.611 -20.755 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.427 -4.275 -20.514 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.711 -3.431 -21.356 1.00 0.00 H new ATOM 347 N CYS A 24 11.191 -3.562 -16.720 1.00 0.00 N ATOM 348 CA CYS A 24 10.805 -3.777 -15.334 1.00 0.00 C ATOM 349 C CYS A 24 11.737 -4.764 -14.619 1.00 0.00 C ATOM 350 O CYS A 24 11.725 -4.865 -13.394 1.00 0.00 O ATOM 351 CB CYS A 24 9.340 -4.212 -15.239 1.00 0.00 C ATOM 352 SG CYS A 24 8.787 -5.323 -16.579 1.00 0.00 S ATOM 0 H CYS A 24 10.598 -4.039 -17.399 1.00 0.00 H new ATOM 0 HA CYS A 24 10.908 -2.824 -14.815 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.185 -4.712 -14.283 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.710 -3.323 -15.239 1.00 0.00 H new ATOM 0 HG CYS A 24 7.496 -5.461 -16.523 1.00 0.00 H new ATOM 357 N GLY A 25 12.530 -5.496 -15.391 1.00 0.00 N ATOM 358 CA GLY A 25 13.499 -6.402 -14.802 1.00 0.00 C ATOM 359 C GLY A 25 13.010 -7.832 -14.721 1.00 0.00 C ATOM 360 O GLY A 25 13.295 -8.537 -13.758 1.00 0.00 O ATOM 0 H GLY A 25 12.520 -5.479 -16.411 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.417 -6.372 -15.389 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.749 -6.054 -13.800 1.00 0.00 H new ATOM 364 N HIS A 26 12.259 -8.258 -15.717 1.00 0.00 N ATOM 365 CA HIS A 26 11.797 -9.642 -15.794 1.00 0.00 C ATOM 366 C HIS A 26 12.395 -10.254 -17.037 1.00 0.00 C ATOM 367 O HIS A 26 12.683 -9.536 -17.990 1.00 0.00 O ATOM 368 CB HIS A 26 10.269 -9.712 -15.906 1.00 0.00 C ATOM 369 CG HIS A 26 9.526 -9.053 -14.794 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.165 -9.684 -13.623 1.00 0.00 N ATOM 371 CD2 HIS A 26 9.074 -7.800 -14.695 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.513 -8.825 -12.854 1.00 0.00 C ATOM 373 NE2 HIS A 26 8.451 -7.669 -13.495 1.00 0.00 N ATOM 0 H HIS A 26 11.951 -7.668 -16.490 1.00 0.00 H new ATOM 0 HA HIS A 26 12.100 -10.172 -14.891 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.967 -9.253 -16.847 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.970 -10.759 -15.952 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.367 -10.655 -13.387 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.185 -7.026 -15.440 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.104 -9.032 -11.876 1.00 0.00 H new ATOM 380 N ARG A 27 12.605 -11.548 -17.043 1.00 0.00 N ATOM 381 CA ARG A 27 13.131 -12.189 -18.230 1.00 0.00 C ATOM 382 C ARG A 27 12.140 -13.195 -18.800 1.00 0.00 C ATOM 383 O ARG A 27 11.530 -13.967 -18.063 1.00 0.00 O ATOM 384 CB ARG A 27 14.494 -12.832 -17.961 1.00 0.00 C ATOM 385 CG ARG A 27 15.594 -11.826 -17.650 1.00 0.00 C ATOM 386 CD ARG A 27 16.926 -12.508 -17.386 1.00 0.00 C ATOM 387 NE ARG A 27 17.983 -11.539 -17.067 1.00 0.00 N ATOM 388 CZ ARG A 27 19.295 -11.809 -17.047 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.737 -13.035 -17.314 1.00 0.00 N ATOM 390 NH2 ARG A 27 20.161 -10.847 -16.754 1.00 0.00 N ATOM 0 H ARG A 27 12.425 -12.171 -16.256 1.00 0.00 H new ATOM 0 HA ARG A 27 13.281 -11.416 -18.983 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.400 -13.525 -17.125 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.787 -13.420 -18.831 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.700 -11.134 -18.485 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.310 -11.235 -16.780 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.817 -13.211 -16.560 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.217 -13.088 -18.262 1.00 0.00 H new ATOM 0 HE ARG A 27 17.696 -10.586 -16.843 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.075 -13.779 -17.536 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.738 -13.231 -17.296 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.827 -9.906 -16.545 1.00 0.00 H new ATOM 0 HH22 ARG A 27 21.161 -11.048 -16.738 1.00 0.00 H new ATOM 404 N PHE A 28 11.985 -13.163 -20.114 1.00 0.00 N ATOM 405 CA PHE A 28 11.057 -14.028 -20.834 1.00 0.00 C ATOM 406 C PHE A 28 11.724 -14.544 -22.102 1.00 0.00 C ATOM 407 O PHE A 28 12.840 -14.136 -22.435 1.00 0.00 O ATOM 408 CB PHE A 28 9.788 -13.259 -21.233 1.00 0.00 C ATOM 409 CG PHE A 28 8.952 -12.745 -20.093 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.968 -13.535 -19.525 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.143 -11.465 -19.602 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.191 -13.059 -18.487 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.368 -10.983 -18.566 1.00 0.00 C ATOM 414 CZ PHE A 28 7.392 -11.781 -18.009 1.00 0.00 C ATOM 0 H PHE A 28 12.505 -12.529 -20.720 1.00 0.00 H new ATOM 0 HA PHE A 28 10.785 -14.855 -20.178 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.079 -12.413 -21.857 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.169 -13.911 -21.849 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.806 -14.536 -19.898 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.907 -10.836 -20.034 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.428 -13.686 -18.051 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.526 -9.982 -18.193 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.785 -11.406 -17.199 1.00 0.00 H new ATOM 424 N CYS A 29 11.072 -15.459 -22.790 1.00 0.00 N ATOM 425 CA CYS A 29 11.529 -15.854 -24.110 1.00 0.00 C ATOM 426 C CYS A 29 10.978 -14.859 -25.125 1.00 0.00 C ATOM 427 O CYS A 29 9.878 -14.335 -24.939 1.00 0.00 O ATOM 428 CB CYS A 29 11.028 -17.248 -24.457 1.00 0.00 C ATOM 429 SG CYS A 29 11.389 -18.515 -23.205 1.00 0.00 S ATOM 0 H CYS A 29 10.233 -15.939 -22.464 1.00 0.00 H new ATOM 0 HA CYS A 29 12.619 -15.863 -24.127 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.950 -17.205 -24.611 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.473 -17.554 -25.404 1.00 0.00 H new ATOM 0 HG CYS A 29 10.277 -19.047 -22.793 1.00 0.00 H new ATOM 434 N LYS A 30 11.711 -14.628 -26.207 1.00 0.00 N ATOM 435 CA LYS A 30 11.350 -13.597 -27.191 1.00 0.00 C ATOM 436 C LYS A 30 10.068 -13.964 -27.940 1.00 0.00 C ATOM 437 O LYS A 30 9.455 -13.128 -28.579 1.00 0.00 O ATOM 438 CB LYS A 30 12.490 -13.381 -28.194 1.00 0.00 C ATOM 439 CG LYS A 30 12.277 -12.221 -29.159 1.00 0.00 C ATOM 440 CD LYS A 30 13.443 -12.089 -30.118 1.00 0.00 C ATOM 441 CE LYS A 30 13.253 -10.925 -31.083 1.00 0.00 C ATOM 442 NZ LYS A 30 13.254 -9.611 -30.392 1.00 0.00 N ATOM 0 H LYS A 30 12.564 -15.140 -26.432 1.00 0.00 H new ATOM 0 HA LYS A 30 11.176 -12.671 -26.642 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.414 -13.212 -27.642 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.626 -14.296 -28.771 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.356 -12.375 -29.721 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.157 -11.294 -28.598 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.364 -11.946 -29.553 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.556 -13.015 -30.683 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.048 -10.941 -31.828 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.312 -11.050 -31.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.275 -8.848 -31.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.395 -9.523 -29.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.093 -9.541 -29.781 1.00 0.00 H new ATOM 456 N ALA A 31 9.633 -15.195 -27.813 1.00 0.00 N ATOM 457 CA ALA A 31 8.474 -15.626 -28.563 1.00 0.00 C ATOM 458 C ALA A 31 7.313 -15.896 -27.632 1.00 0.00 C ATOM 459 O ALA A 31 6.162 -15.940 -28.060 1.00 0.00 O ATOM 460 CB ALA A 31 8.806 -16.864 -29.381 1.00 0.00 C ATOM 0 H ALA A 31 10.052 -15.904 -27.211 1.00 0.00 H new ATOM 0 HA ALA A 31 8.185 -14.829 -29.247 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.925 -17.178 -29.941 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.614 -16.635 -30.076 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.117 -17.668 -28.714 1.00 0.00 H new ATOM 466 N CYS A 32 7.605 -16.041 -26.355 1.00 0.00 N ATOM 467 CA CYS A 32 6.560 -16.167 -25.375 1.00 0.00 C ATOM 468 C CYS A 32 6.024 -14.782 -25.011 1.00 0.00 C ATOM 469 O CYS A 32 4.814 -14.559 -24.985 1.00 0.00 O ATOM 470 CB CYS A 32 7.085 -16.871 -24.121 1.00 0.00 C ATOM 471 SG CYS A 32 7.910 -18.473 -24.422 1.00 0.00 S ATOM 0 H CYS A 32 8.553 -16.074 -25.979 1.00 0.00 H new ATOM 0 HA CYS A 32 5.753 -16.766 -25.797 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.787 -16.207 -23.617 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.252 -17.032 -23.437 1.00 0.00 H new ATOM 0 HG CYS A 32 8.003 -19.130 -23.304 1.00 0.00 H new ATOM 476 N ILE A 33 6.939 -13.842 -24.755 1.00 0.00 N ATOM 477 CA ILE A 33 6.546 -12.507 -24.321 1.00 0.00 C ATOM 478 C ILE A 33 5.846 -11.713 -25.430 1.00 0.00 C ATOM 479 O ILE A 33 4.821 -11.080 -25.189 1.00 0.00 O ATOM 480 CB ILE A 33 7.731 -11.703 -23.710 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.241 -10.409 -23.056 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.808 -11.409 -24.744 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.295 -10.631 -21.891 1.00 0.00 C ATOM 0 H ILE A 33 7.946 -13.983 -24.841 1.00 0.00 H new ATOM 0 HA ILE A 33 5.818 -12.657 -23.524 1.00 0.00 H new ATOM 0 HB ILE A 33 8.178 -12.329 -22.938 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.103 -9.840 -22.708 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.739 -9.800 -23.808 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.617 -10.847 -24.277 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.199 -12.347 -25.139 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.381 -10.823 -25.558 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.992 -9.668 -21.480 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.414 -11.172 -22.236 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.799 -11.212 -21.119 1.00 0.00 H new ATOM 495 N ILE A 34 6.364 -11.796 -26.655 1.00 0.00 N ATOM 496 CA ILE A 34 5.775 -11.073 -27.776 1.00 0.00 C ATOM 497 C ILE A 34 4.363 -11.559 -28.052 1.00 0.00 C ATOM 498 O ILE A 34 3.439 -10.760 -28.225 1.00 0.00 O ATOM 499 CB ILE A 34 6.650 -11.108 -29.063 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.935 -10.297 -28.847 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.881 -10.572 -30.267 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.934 -10.388 -29.988 1.00 0.00 C ATOM 0 H ILE A 34 7.185 -12.353 -26.893 1.00 0.00 H new ATOM 0 HA ILE A 34 5.730 -10.026 -27.477 1.00 0.00 H new ATOM 0 HB ILE A 34 6.913 -12.146 -29.268 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.669 -9.251 -28.696 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.416 -10.639 -27.931 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.518 -10.609 -31.151 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.994 -11.183 -30.433 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.582 -9.541 -30.078 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.811 -9.786 -29.752 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.234 -11.427 -30.127 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.475 -10.017 -30.904 1.00 0.00 H new ATOM 514 N LYS A 35 4.179 -12.865 -28.010 1.00 0.00 N ATOM 515 CA LYS A 35 2.897 -13.464 -28.325 1.00 0.00 C ATOM 516 C LYS A 35 1.945 -13.349 -27.117 1.00 0.00 C ATOM 517 O LYS A 35 0.825 -13.844 -27.135 1.00 0.00 O ATOM 518 CB LYS A 35 3.093 -14.927 -28.768 1.00 0.00 C ATOM 519 CG LYS A 35 1.831 -15.635 -29.258 1.00 0.00 C ATOM 520 CD LYS A 35 1.257 -14.952 -30.495 1.00 0.00 C ATOM 521 CE LYS A 35 0.144 -15.774 -31.127 1.00 0.00 C ATOM 522 NZ LYS A 35 -1.020 -15.946 -30.222 1.00 0.00 N ATOM 0 H LYS A 35 4.906 -13.535 -27.759 1.00 0.00 H new ATOM 0 HA LYS A 35 2.438 -12.927 -29.155 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.836 -14.952 -29.565 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.504 -15.491 -27.931 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.061 -16.675 -29.488 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.084 -15.642 -28.464 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.873 -13.969 -30.223 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.051 -14.793 -31.224 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.184 -15.290 -32.047 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.533 -16.754 -31.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.698 -16.609 -30.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.697 -16.324 -29.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.482 -15.026 -30.072 1.00 0.00 H new ATOM 536 N SER A 36 2.406 -12.701 -26.067 1.00 0.00 N ATOM 537 CA SER A 36 1.549 -12.379 -24.946 1.00 0.00 C ATOM 538 C SER A 36 1.217 -10.877 -24.916 1.00 0.00 C ATOM 539 O SER A 36 0.186 -10.470 -24.375 1.00 0.00 O ATOM 540 CB SER A 36 2.201 -12.814 -23.636 1.00 0.00 C ATOM 541 OG SER A 36 2.459 -14.209 -23.648 1.00 0.00 O ATOM 0 H SER A 36 3.371 -12.387 -25.967 1.00 0.00 H new ATOM 0 HA SER A 36 0.613 -12.925 -25.066 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.132 -12.267 -23.487 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.549 -12.566 -22.799 1.00 0.00 H new ATOM 0 HG SER A 36 3.217 -14.396 -24.241 1.00 0.00 H new ATOM 547 N ILE A 37 2.058 -10.052 -25.543 1.00 0.00 N ATOM 548 CA ILE A 37 1.874 -8.605 -25.442 1.00 0.00 C ATOM 549 C ILE A 37 1.260 -7.998 -26.696 1.00 0.00 C ATOM 550 O ILE A 37 0.732 -6.903 -26.656 1.00 0.00 O ATOM 551 CB ILE A 37 3.180 -7.855 -25.068 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.280 -8.105 -26.106 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.645 -8.258 -23.680 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.548 -7.308 -25.863 1.00 0.00 C ATOM 0 H ILE A 37 2.851 -10.350 -26.111 1.00 0.00 H new ATOM 0 HA ILE A 37 1.166 -8.470 -24.624 1.00 0.00 H new ATOM 0 HB ILE A 37 2.966 -6.786 -25.063 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.526 -9.167 -26.112 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.894 -7.862 -27.096 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.562 -7.723 -23.434 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.873 -8.010 -22.951 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.834 -9.331 -23.657 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.278 -7.540 -26.639 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.318 -6.243 -25.887 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.960 -7.568 -24.888 1.00 0.00 H new ATOM 566 N ARG A 38 1.325 -8.699 -27.804 1.00 0.00 N ATOM 567 CA ARG A 38 0.609 -8.252 -28.995 1.00 0.00 C ATOM 568 C ARG A 38 -0.618 -9.112 -29.212 1.00 0.00 C ATOM 569 O ARG A 38 -1.293 -9.026 -30.235 1.00 0.00 O ATOM 570 CB ARG A 38 1.502 -8.236 -30.236 1.00 0.00 C ATOM 571 CG ARG A 38 2.010 -9.588 -30.685 1.00 0.00 C ATOM 572 CD ARG A 38 2.859 -9.444 -31.931 1.00 0.00 C ATOM 573 NE ARG A 38 2.071 -9.020 -33.090 1.00 0.00 N ATOM 574 CZ ARG A 38 2.404 -8.031 -33.923 1.00 0.00 C ATOM 575 NH1 ARG A 38 3.437 -7.238 -33.652 1.00 0.00 N ATOM 576 NH2 ARG A 38 1.674 -7.812 -35.009 1.00 0.00 N ATOM 0 H ARG A 38 1.853 -9.565 -27.914 1.00 0.00 H new ATOM 0 HA ARG A 38 0.294 -7.222 -28.829 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.946 -7.784 -31.057 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.359 -7.592 -30.038 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.596 -10.047 -29.889 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.169 -10.252 -30.885 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.651 -8.718 -31.747 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.343 -10.396 -32.151 1.00 0.00 H new ATOM 0 HE ARG A 38 1.201 -9.519 -33.275 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.982 -7.383 -32.802 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.684 -6.485 -34.294 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.862 -8.398 -35.205 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.924 -7.058 -35.648 1.00 0.00 H new ATOM 590 N ASP A 39 -0.892 -9.953 -28.238 1.00 0.00 N ATOM 591 CA ASP A 39 -1.984 -10.898 -28.338 1.00 0.00 C ATOM 592 C ASP A 39 -3.030 -10.609 -27.281 1.00 0.00 C ATOM 593 O ASP A 39 -4.199 -10.391 -27.595 1.00 0.00 O ATOM 594 CB ASP A 39 -1.445 -12.305 -28.161 1.00 0.00 C ATOM 595 CG ASP A 39 -2.457 -13.379 -28.453 1.00 0.00 C ATOM 596 OD1 ASP A 39 -2.660 -13.692 -29.644 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.025 -13.942 -27.507 1.00 0.00 O ATOM 0 H ASP A 39 -0.370 -10.002 -27.363 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.450 -10.805 -29.319 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.585 -12.441 -28.816 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.088 -12.422 -27.138 1.00 0.00 H new ATOM 602 N ALA A 40 -2.602 -10.592 -26.028 1.00 0.00 N ATOM 603 CA ALA A 40 -3.487 -10.268 -24.926 1.00 0.00 C ATOM 604 C ALA A 40 -3.545 -8.761 -24.740 1.00 0.00 C ATOM 605 O ALA A 40 -4.574 -8.132 -24.972 1.00 0.00 O ATOM 606 CB ALA A 40 -3.025 -10.958 -23.649 1.00 0.00 C ATOM 0 H ALA A 40 -1.643 -10.800 -25.751 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.489 -10.629 -25.156 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.701 -10.703 -22.833 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.027 -12.038 -23.798 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.016 -10.627 -23.401 1.00 0.00 H new ATOM 612 N GLY A 41 -2.430 -8.195 -24.339 1.00 0.00 N ATOM 613 CA GLY A 41 -2.310 -6.770 -24.183 1.00 0.00 C ATOM 614 C GLY A 41 -0.866 -6.410 -23.990 1.00 0.00 C ATOM 615 O GLY A 41 -0.073 -7.278 -23.615 1.00 0.00 O ATOM 0 H GLY A 41 -1.581 -8.713 -24.112 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.709 -6.262 -25.061 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.897 -6.436 -23.328 1.00 0.00 H new ATOM 619 N HIS A 42 -0.506 -5.164 -24.226 1.00 0.00 N ATOM 620 CA HIS A 42 0.888 -4.754 -24.101 1.00 0.00 C ATOM 621 C HIS A 42 1.274 -4.524 -22.656 1.00 0.00 C ATOM 622 O HIS A 42 1.400 -3.393 -22.199 1.00 0.00 O ATOM 623 CB HIS A 42 1.220 -3.528 -24.966 1.00 0.00 C ATOM 624 CG HIS A 42 1.308 -3.819 -26.431 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.228 -3.760 -27.282 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.363 -4.186 -27.196 1.00 0.00 C ATOM 627 CE1 HIS A 42 0.611 -4.081 -28.503 1.00 0.00 C ATOM 628 NE2 HIS A 42 1.903 -4.343 -28.477 1.00 0.00 N ATOM 0 H HIS A 42 -1.148 -4.421 -24.503 1.00 0.00 H new ATOM 0 HA HIS A 42 1.488 -5.581 -24.480 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.459 -2.765 -24.803 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.169 -3.108 -24.632 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.379 -4.329 -26.859 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -0.025 -4.122 -29.375 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.468 -4.618 -29.280 1.00 0.00 H new ATOM 637 N LYS A 43 1.417 -5.609 -21.936 1.00 0.00 N ATOM 638 CA LYS A 43 1.817 -5.583 -20.554 1.00 0.00 C ATOM 639 C LYS A 43 2.508 -6.885 -20.204 1.00 0.00 C ATOM 640 O LYS A 43 2.218 -7.927 -20.807 1.00 0.00 O ATOM 641 CB LYS A 43 0.590 -5.370 -19.658 1.00 0.00 C ATOM 642 CG LYS A 43 -0.430 -6.499 -19.724 1.00 0.00 C ATOM 643 CD LYS A 43 -1.618 -6.242 -18.813 1.00 0.00 C ATOM 644 CE LYS A 43 -2.441 -5.059 -19.296 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.655 -4.850 -18.476 1.00 0.00 N ATOM 0 H LYS A 43 1.256 -6.548 -22.300 1.00 0.00 H new ATOM 0 HA LYS A 43 2.511 -4.758 -20.392 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.922 -5.254 -18.626 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.103 -4.437 -19.942 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.778 -6.615 -20.751 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.048 -7.437 -19.442 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.246 -7.132 -18.772 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.267 -6.053 -17.799 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.828 -4.158 -19.271 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.730 -5.219 -20.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.185 -4.033 -18.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.254 -5.699 -18.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.381 -4.671 -17.489 1.00 0.00 H new ATOM 659 N CYS A 44 3.419 -6.839 -19.260 1.00 0.00 N ATOM 660 CA CYS A 44 4.034 -8.045 -18.776 1.00 0.00 C ATOM 661 C CYS A 44 3.034 -8.818 -17.916 1.00 0.00 C ATOM 662 O CYS A 44 2.415 -8.256 -17.015 1.00 0.00 O ATOM 663 CB CYS A 44 5.331 -7.724 -18.023 1.00 0.00 C ATOM 664 SG CYS A 44 5.277 -6.179 -17.058 1.00 0.00 S ATOM 0 H CYS A 44 3.747 -5.982 -18.816 1.00 0.00 H new ATOM 0 HA CYS A 44 4.311 -8.681 -19.617 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.561 -8.551 -17.351 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.148 -7.661 -18.742 1.00 0.00 H new ATOM 0 HG CYS A 44 5.914 -6.345 -15.937 1.00 0.00 H new ATOM 669 N PRO A 45 2.853 -10.115 -18.194 1.00 0.00 N ATOM 670 CA PRO A 45 1.802 -10.932 -17.564 1.00 0.00 C ATOM 671 C PRO A 45 1.972 -11.091 -16.053 1.00 0.00 C ATOM 672 O PRO A 45 1.017 -11.410 -15.342 1.00 0.00 O ATOM 673 CB PRO A 45 1.938 -12.287 -18.267 1.00 0.00 C ATOM 674 CG PRO A 45 3.340 -12.315 -18.756 1.00 0.00 C ATOM 675 CD PRO A 45 3.652 -10.904 -19.150 1.00 0.00 C ATOM 0 HA PRO A 45 0.822 -10.467 -17.673 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.741 -13.111 -17.581 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.229 -12.380 -19.090 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.020 -12.666 -17.980 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.447 -12.992 -19.603 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.717 -10.686 -19.065 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.367 -10.699 -20.182 1.00 0.00 H new ATOM 683 N VAL A 46 3.181 -10.880 -15.569 1.00 0.00 N ATOM 684 CA VAL A 46 3.467 -11.062 -14.159 1.00 0.00 C ATOM 685 C VAL A 46 3.072 -9.846 -13.296 1.00 0.00 C ATOM 686 O VAL A 46 2.251 -9.968 -12.394 1.00 0.00 O ATOM 687 CB VAL A 46 4.947 -11.475 -13.904 1.00 0.00 C ATOM 688 CG1 VAL A 46 5.186 -12.894 -14.378 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.914 -10.543 -14.617 1.00 0.00 C ATOM 0 H VAL A 46 3.979 -10.583 -16.130 1.00 0.00 H new ATOM 0 HA VAL A 46 2.833 -11.890 -13.841 1.00 0.00 H new ATOM 0 HB VAL A 46 5.125 -11.409 -12.831 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.224 -13.169 -14.194 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.529 -13.574 -13.836 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.977 -12.961 -15.446 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.938 -10.860 -14.418 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.726 -10.576 -15.690 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.772 -9.525 -14.255 1.00 0.00 H new ATOM 699 N ASP A 47 3.651 -8.688 -13.577 1.00 0.00 N ATOM 700 CA ASP A 47 3.437 -7.491 -12.758 1.00 0.00 C ATOM 701 C ASP A 47 2.560 -6.460 -13.454 1.00 0.00 C ATOM 702 O ASP A 47 2.358 -5.357 -12.940 1.00 0.00 O ATOM 703 CB ASP A 47 4.778 -6.861 -12.391 1.00 0.00 C ATOM 704 CG ASP A 47 5.626 -6.542 -13.602 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.772 -7.389 -14.493 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.185 -5.450 -13.695 1.00 0.00 O ATOM 0 H ASP A 47 4.277 -8.546 -14.369 1.00 0.00 H new ATOM 0 HA ASP A 47 2.915 -7.809 -11.856 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.602 -5.946 -11.825 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.326 -7.539 -11.737 1.00 0.00 H new ATOM 711 N ASN A 48 2.053 -6.827 -14.616 1.00 0.00 N ATOM 712 CA ASN A 48 1.066 -6.038 -15.368 1.00 0.00 C ATOM 713 C ASN A 48 1.519 -4.608 -15.697 1.00 0.00 C ATOM 714 O ASN A 48 0.687 -3.706 -15.796 1.00 0.00 O ATOM 715 CB ASN A 48 -0.285 -6.007 -14.636 1.00 0.00 C ATOM 716 CG ASN A 48 -1.004 -7.351 -14.619 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.754 -7.650 -13.695 1.00 0.00 O ATOM 718 ND2 ASN A 48 -0.783 -8.169 -15.632 1.00 0.00 N ATOM 0 H ASN A 48 2.314 -7.696 -15.082 1.00 0.00 H new ATOM 0 HA ASN A 48 0.958 -6.551 -16.324 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.124 -5.678 -13.609 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.929 -5.267 -15.111 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.242 -9.080 -15.662 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.154 -7.890 -16.385 1.00 0.00 H new ATOM 725 N GLU A 49 2.806 -4.398 -15.908 1.00 0.00 N ATOM 726 CA GLU A 49 3.258 -3.085 -16.354 1.00 0.00 C ATOM 727 C GLU A 49 3.219 -3.035 -17.867 1.00 0.00 C ATOM 728 O GLU A 49 3.416 -4.056 -18.522 1.00 0.00 O ATOM 729 CB GLU A 49 4.655 -2.716 -15.836 1.00 0.00 C ATOM 730 CG GLU A 49 4.733 -2.524 -14.329 1.00 0.00 C ATOM 731 CD GLU A 49 6.101 -2.056 -13.863 1.00 0.00 C ATOM 732 OE1 GLU A 49 6.899 -1.579 -14.702 1.00 0.00 O ATOM 733 OE2 GLU A 49 6.386 -2.133 -12.648 1.00 0.00 O ATOM 0 H GLU A 49 3.541 -5.094 -15.783 1.00 0.00 H new ATOM 0 HA GLU A 49 2.579 -2.344 -15.933 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.356 -3.498 -16.128 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.980 -1.798 -16.325 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.981 -1.797 -14.021 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.488 -3.464 -13.835 1.00 0.00 H new ATOM 740 N ILE A 50 2.948 -1.865 -18.423 1.00 0.00 N ATOM 741 CA ILE A 50 2.786 -1.739 -19.863 1.00 0.00 C ATOM 742 C ILE A 50 4.112 -2.015 -20.572 1.00 0.00 C ATOM 743 O ILE A 50 5.115 -1.319 -20.356 1.00 0.00 O ATOM 744 CB ILE A 50 2.203 -0.349 -20.292 1.00 0.00 C ATOM 745 CG1 ILE A 50 0.765 -0.146 -19.768 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.226 -0.190 -21.805 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.654 0.125 -18.283 1.00 0.00 C ATOM 0 H ILE A 50 2.836 -0.994 -17.904 1.00 0.00 H new ATOM 0 HA ILE A 50 2.054 -2.487 -20.168 1.00 0.00 H new ATOM 0 HB ILE A 50 2.841 0.414 -19.845 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.312 0.686 -20.308 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.180 -1.035 -20.004 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.816 0.783 -22.075 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.253 -0.263 -22.163 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.626 -0.976 -22.263 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.394 0.253 -18.014 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.071 -0.715 -17.728 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.205 1.032 -18.037 1.00 0.00 H new ATOM 759 N LEU A 51 4.105 -3.017 -21.417 1.00 0.00 N ATOM 760 CA LEU A 51 5.305 -3.491 -22.051 1.00 0.00 C ATOM 761 C LEU A 51 5.211 -3.364 -23.560 1.00 0.00 C ATOM 762 O LEU A 51 4.242 -3.813 -24.178 1.00 0.00 O ATOM 763 CB LEU A 51 5.571 -4.942 -21.643 1.00 0.00 C ATOM 764 CG LEU A 51 6.857 -5.578 -22.168 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.073 -4.819 -21.667 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.928 -7.026 -21.733 1.00 0.00 C ATOM 0 H LEU A 51 3.263 -3.527 -21.683 1.00 0.00 H new ATOM 0 HA LEU A 51 6.140 -2.874 -21.720 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.587 -4.992 -20.554 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.730 -5.549 -21.978 1.00 0.00 H new ATOM 0 HG LEU A 51 6.850 -5.532 -23.257 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.979 -5.288 -22.052 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.025 -3.786 -22.011 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.090 -4.838 -20.577 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.847 -7.475 -22.110 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.918 -7.080 -20.644 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.070 -7.568 -22.131 1.00 0.00 H new ATOM 778 N LEU A 52 6.216 -2.757 -24.147 1.00 0.00 N ATOM 779 CA LEU A 52 6.263 -2.554 -25.577 1.00 0.00 C ATOM 780 C LEU A 52 7.191 -3.568 -26.231 1.00 0.00 C ATOM 781 O LEU A 52 8.219 -3.942 -25.662 1.00 0.00 O ATOM 782 CB LEU A 52 6.696 -1.126 -25.927 1.00 0.00 C ATOM 783 CG LEU A 52 5.645 -0.017 -25.750 1.00 0.00 C ATOM 784 CD1 LEU A 52 5.308 0.212 -24.282 1.00 0.00 C ATOM 785 CD2 LEU A 52 6.128 1.267 -26.391 1.00 0.00 C ATOM 0 H LEU A 52 7.025 -2.389 -23.646 1.00 0.00 H new ATOM 0 HA LEU A 52 5.255 -2.701 -25.966 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.561 -0.874 -25.314 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.027 -1.117 -26.965 1.00 0.00 H new ATOM 0 HG LEU A 52 4.731 -0.341 -26.248 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.562 1.003 -24.199 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.911 -0.708 -23.852 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.209 0.505 -23.743 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.376 2.045 -26.259 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.060 1.580 -25.921 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.296 1.102 -27.455 1.00 0.00 H new ATOM 797 N GLU A 53 6.820 -3.992 -27.425 1.00 0.00 N ATOM 798 CA GLU A 53 7.514 -5.045 -28.165 1.00 0.00 C ATOM 799 C GLU A 53 8.941 -4.615 -28.518 1.00 0.00 C ATOM 800 O GLU A 53 9.891 -5.397 -28.406 1.00 0.00 O ATOM 801 CB GLU A 53 6.716 -5.324 -29.443 1.00 0.00 C ATOM 802 CG GLU A 53 5.343 -5.935 -29.182 1.00 0.00 C ATOM 803 CD GLU A 53 4.481 -6.013 -30.420 1.00 0.00 C ATOM 804 OE1 GLU A 53 4.859 -6.711 -31.385 1.00 0.00 O ATOM 805 OE2 GLU A 53 3.406 -5.363 -30.438 1.00 0.00 O ATOM 0 H GLU A 53 6.014 -3.611 -27.922 1.00 0.00 H new ATOM 0 HA GLU A 53 7.584 -5.944 -27.552 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.591 -4.392 -29.995 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.289 -5.997 -30.080 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.470 -6.937 -28.772 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.828 -5.344 -28.425 1.00 0.00 H new ATOM 812 N ASN A 54 9.075 -3.366 -28.925 1.00 0.00 N ATOM 813 CA ASN A 54 10.358 -2.781 -29.302 1.00 0.00 C ATOM 814 C ASN A 54 11.289 -2.670 -28.101 1.00 0.00 C ATOM 815 O ASN A 54 12.507 -2.781 -28.234 1.00 0.00 O ATOM 816 CB ASN A 54 10.144 -1.385 -29.908 1.00 0.00 C ATOM 817 CG ASN A 54 11.442 -0.708 -30.326 1.00 0.00 C ATOM 818 OD1 ASN A 54 11.927 -0.906 -31.440 1.00 0.00 O ATOM 819 ND2 ASN A 54 12.012 0.093 -29.446 1.00 0.00 N ATOM 0 H ASN A 54 8.291 -2.719 -29.006 1.00 0.00 H new ATOM 0 HA ASN A 54 10.819 -3.438 -30.040 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.490 -1.469 -30.776 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.631 -0.755 -29.181 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.882 0.571 -29.680 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.582 0.234 -28.532 1.00 0.00 H new ATOM 826 N GLN A 55 10.705 -2.472 -26.928 1.00 0.00 N ATOM 827 CA GLN A 55 11.470 -2.148 -25.728 1.00 0.00 C ATOM 828 C GLN A 55 12.162 -3.360 -25.121 1.00 0.00 C ATOM 829 O GLN A 55 12.972 -3.222 -24.197 1.00 0.00 O ATOM 830 CB GLN A 55 10.606 -1.436 -24.694 1.00 0.00 C ATOM 831 CG GLN A 55 10.031 -0.122 -25.193 1.00 0.00 C ATOM 832 CD GLN A 55 11.105 0.851 -25.638 1.00 0.00 C ATOM 833 OE1 GLN A 55 11.505 0.861 -26.803 1.00 0.00 O ATOM 834 NE2 GLN A 55 11.577 1.668 -24.731 1.00 0.00 N ATOM 0 H GLN A 55 9.698 -2.530 -26.779 1.00 0.00 H new ATOM 0 HA GLN A 55 12.259 -1.465 -26.044 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.788 -2.094 -24.399 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.202 -1.248 -23.801 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.355 -0.318 -26.026 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.437 0.335 -24.401 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.221 1.630 -23.776 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.301 2.342 -24.979 1.00 0.00 H new ATOM 843 N LEU A 56 11.844 -4.536 -25.628 1.00 0.00 N ATOM 844 CA LEU A 56 12.466 -5.756 -25.149 1.00 0.00 C ATOM 845 C LEU A 56 13.935 -5.754 -25.532 1.00 0.00 C ATOM 846 O LEU A 56 14.285 -5.427 -26.669 1.00 0.00 O ATOM 847 CB LEU A 56 11.785 -6.971 -25.783 1.00 0.00 C ATOM 848 CG LEU A 56 10.305 -7.171 -25.458 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.745 -8.328 -26.263 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.114 -7.423 -23.971 1.00 0.00 C ATOM 0 H LEU A 56 11.159 -4.673 -26.371 1.00 0.00 H new ATOM 0 HA LEU A 56 12.364 -5.809 -24.065 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.889 -6.894 -26.865 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.326 -7.865 -25.473 1.00 0.00 H new ATOM 0 HG LEU A 56 9.766 -6.262 -25.725 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.690 -8.461 -26.023 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.851 -8.116 -27.327 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.291 -9.239 -26.018 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.054 -7.563 -23.759 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.664 -8.318 -23.680 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.487 -6.569 -23.406 1.00 0.00 H new