USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 593 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 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 73 HIS : no HE2:sc= -0.0271 K(o=-0.027,f=-0.61) USER MOD Set 2.1: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 24 HIS : no HD1:sc= -0.0912 X(o=-0.091,f=-0.18) USER MOD Single : A 26 MET CE :methyl -132:sc= -2.49 (180deg=-4.19!) USER MOD Single : A 31 LYS NZ :NH3+ -164:sc=-0.00602 (180deg=-0.105) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -156:sc= -0.0892 (180deg=-0.49) USER MOD Single : A 38 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.45) USER MOD Single : A 39 ASN : amide:sc= -0.0878 K(o=-0.088,f=-1.2!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -110:sc= -0.924 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 75:sc= 0.843 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 23:sc= 0.00109 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= -0.308 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 -0.808 5.970 -4.784 1.00 0.00 N ATOM 98 CA VAL A 10 -1.516 5.272 -3.718 1.00 0.00 C ATOM 99 C VAL A 10 -2.164 3.992 -4.235 1.00 0.00 C ATOM 100 O VAL A 10 -2.943 4.019 -5.189 1.00 0.00 O ATOM 101 CB VAL A 10 -2.601 6.165 -3.087 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.547 6.692 -4.155 1.00 0.00 C ATOM 103 CG2 VAL A 10 -3.365 5.399 -2.017 1.00 0.00 C ATOM 0 HA VAL A 10 -0.776 5.020 -2.958 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.115 7.018 -2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.307 7.321 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.985 7.279 -4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.029 5.855 -4.660 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.128 6.045 -1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.841 4.526 -2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.675 5.076 -1.238 1.00 0.00 H new ATOM 113 N LEU A 11 -1.839 2.872 -3.599 1.00 0.00 N ATOM 114 CA LEU A 11 -2.390 1.581 -3.994 1.00 0.00 C ATOM 115 C LEU A 11 -3.455 1.117 -3.005 1.00 0.00 C ATOM 116 O LEU A 11 -3.144 0.739 -1.875 1.00 0.00 O ATOM 117 CB LEU A 11 -1.276 0.536 -4.089 1.00 0.00 C ATOM 118 CG LEU A 11 -1.726 -0.925 -4.102 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.449 -1.250 -5.400 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.534 -1.851 -3.906 1.00 0.00 C ATOM 0 H LEU A 11 -1.197 2.832 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.856 1.697 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.703 0.727 -4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.598 0.679 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.420 -1.079 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.762 -2.294 -5.391 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.326 -0.610 -5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.779 -1.079 -6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.872 -2.887 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.184 -1.695 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.059 -1.635 -2.949 1.00 0.00 H new ATOM 132 N ASP A 12 -4.710 1.146 -3.438 1.00 0.00 N ATOM 133 CA ASP A 12 -5.821 0.726 -2.592 1.00 0.00 C ATOM 134 C ASP A 12 -5.855 -0.793 -2.454 1.00 0.00 C ATOM 135 O ASP A 12 -6.134 -1.508 -3.418 1.00 0.00 O ATOM 136 CB ASP A 12 -7.146 1.228 -3.167 1.00 0.00 C ATOM 137 CG ASP A 12 -7.630 0.383 -4.329 1.00 0.00 C ATOM 138 OD1 ASP A 12 -7.201 0.644 -5.472 1.00 0.00 O ATOM 139 OD2 ASP A 12 -8.438 -0.539 -4.095 1.00 0.00 O ATOM 0 H ASP A 12 -4.984 1.456 -4.370 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.676 1.160 -1.603 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.902 1.229 -2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.028 2.260 -3.497 1.00 0.00 H new ATOM 144 N LEU A 13 -5.568 -1.279 -1.252 1.00 0.00 N ATOM 145 CA LEU A 13 -5.564 -2.714 -0.988 1.00 0.00 C ATOM 146 C LEU A 13 -6.952 -3.195 -0.576 1.00 0.00 C ATOM 147 O LEU A 13 -7.314 -4.350 -0.805 1.00 0.00 O ATOM 148 CB LEU A 13 -4.550 -3.049 0.107 1.00 0.00 C ATOM 149 CG LEU A 13 -3.079 -2.840 -0.254 1.00 0.00 C ATOM 150 CD1 LEU A 13 -2.209 -2.906 0.991 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.629 -3.873 -1.277 1.00 0.00 C ATOM 0 H LEU A 13 -5.335 -0.701 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.279 -3.227 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.778 -2.442 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.688 -4.091 0.396 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.970 -1.849 -0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.166 -2.755 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.515 -2.128 1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.322 -3.882 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.580 -3.709 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.753 -4.873 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.232 -3.777 -2.180 1.00 0.00 H new ATOM 163 N HIS A 14 -7.726 -2.302 0.032 1.00 0.00 N ATOM 164 CA HIS A 14 -9.076 -2.635 0.474 1.00 0.00 C ATOM 165 C HIS A 14 -9.887 -3.243 -0.667 1.00 0.00 C ATOM 166 O HIS A 14 -9.991 -2.661 -1.747 1.00 0.00 O ATOM 167 CB HIS A 14 -9.782 -1.389 1.009 1.00 0.00 C ATOM 168 CG HIS A 14 -11.204 -1.632 1.410 1.00 0.00 C ATOM 169 ND1 HIS A 14 -11.581 -1.933 2.702 1.00 0.00 N ATOM 170 CD2 HIS A 14 -12.345 -1.615 0.681 1.00 0.00 C ATOM 171 CE1 HIS A 14 -12.891 -2.093 2.750 1.00 0.00 C ATOM 172 NE2 HIS A 14 -13.379 -1.905 1.537 1.00 0.00 N ATOM 0 H HIS A 14 -7.442 -1.343 0.230 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.998 -3.371 1.274 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.230 -1.010 1.869 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.756 -0.611 0.246 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.427 -1.411 -0.376 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.466 -2.336 3.631 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -14.364 -1.965 1.278 1.00 0.00 H new ATOM 180 N GLY A 15 -10.459 -4.417 -0.420 1.00 0.00 N ATOM 181 CA GLY A 15 -11.252 -5.084 -1.437 1.00 0.00 C ATOM 182 C GLY A 15 -10.669 -6.425 -1.839 1.00 0.00 C ATOM 183 O GLY A 15 -11.406 -7.369 -2.127 1.00 0.00 O ATOM 0 H GLY A 15 -10.388 -4.918 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.266 -5.229 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.323 -4.444 -2.316 1.00 0.00 H new ATOM 187 N LEU A 16 -9.344 -6.510 -1.860 1.00 0.00 N ATOM 188 CA LEU A 16 -8.662 -7.745 -2.231 1.00 0.00 C ATOM 189 C LEU A 16 -8.477 -8.651 -1.018 1.00 0.00 C ATOM 190 O LEU A 16 -8.810 -8.276 0.106 1.00 0.00 O ATOM 191 CB LEU A 16 -7.303 -7.431 -2.860 1.00 0.00 C ATOM 192 CG LEU A 16 -7.332 -6.920 -4.301 1.00 0.00 C ATOM 193 CD1 LEU A 16 -6.137 -6.020 -4.572 1.00 0.00 C ATOM 194 CD2 LEU A 16 -7.358 -8.085 -5.280 1.00 0.00 C ATOM 0 H LEU A 16 -8.720 -5.738 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.281 -8.268 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.802 -6.686 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.693 -8.334 -2.828 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.241 -6.334 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.174 -5.666 -5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.163 -5.167 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.216 -6.581 -4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.378 -7.702 -6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.468 -8.698 -5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.247 -8.690 -5.102 1.00 0.00 H new ATOM 206 N HIS A 17 -7.943 -9.845 -1.254 1.00 0.00 N ATOM 207 CA HIS A 17 -7.710 -10.804 -0.180 1.00 0.00 C ATOM 208 C HIS A 17 -6.316 -10.628 0.414 1.00 0.00 C ATOM 209 O HIS A 17 -5.352 -10.364 -0.306 1.00 0.00 O ATOM 210 CB HIS A 17 -7.880 -12.233 -0.698 1.00 0.00 C ATOM 211 CG HIS A 17 -8.128 -13.237 0.385 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.263 -14.275 0.662 1.00 0.00 N ATOM 213 CD2 HIS A 17 -9.151 -13.357 1.263 1.00 0.00 C ATOM 214 CE1 HIS A 17 -7.744 -14.991 1.662 1.00 0.00 C ATOM 215 NE2 HIS A 17 -8.889 -14.455 2.046 1.00 0.00 N ATOM 0 H HIS A 17 -7.664 -10.172 -2.179 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.445 -10.619 0.604 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.711 -12.259 -1.403 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.985 -12.520 -1.250 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -10.013 -12.710 1.335 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.280 -15.866 2.093 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.482 -14.800 2.801 1.00 0.00 H new ATOM 223 N VAL A 18 -6.216 -10.774 1.731 1.00 0.00 N ATOM 224 CA VAL A 18 -4.940 -10.631 2.422 1.00 0.00 C ATOM 225 C VAL A 18 -3.789 -11.135 1.558 1.00 0.00 C ATOM 226 O VAL A 18 -2.744 -10.490 1.461 1.00 0.00 O ATOM 227 CB VAL A 18 -4.937 -11.396 3.759 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.515 -11.578 4.267 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.791 -10.671 4.788 1.00 0.00 C ATOM 0 H VAL A 18 -7.004 -10.991 2.341 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.804 -9.568 2.620 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.367 -12.384 3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.533 -12.120 5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.937 -12.143 3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.055 -10.602 4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.778 -11.225 5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.392 -9.670 4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.816 -10.598 4.424 1.00 0.00 H new ATOM 239 N ASP A 19 -3.987 -12.290 0.933 1.00 0.00 N ATOM 240 CA ASP A 19 -2.965 -12.880 0.076 1.00 0.00 C ATOM 241 C ASP A 19 -2.706 -12.002 -1.144 1.00 0.00 C ATOM 242 O ASP A 19 -1.558 -11.715 -1.481 1.00 0.00 O ATOM 243 CB ASP A 19 -3.390 -14.280 -0.370 1.00 0.00 C ATOM 244 CG ASP A 19 -2.215 -15.123 -0.827 1.00 0.00 C ATOM 245 OD1 ASP A 19 -1.113 -14.960 -0.264 1.00 0.00 O ATOM 246 OD2 ASP A 19 -2.399 -15.947 -1.747 1.00 0.00 O ATOM 0 H ASP A 19 -4.845 -12.836 1.003 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.042 -12.954 0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.896 -14.783 0.454 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.111 -14.196 -1.183 1.00 0.00 H new ATOM 251 N GLU A 20 -3.781 -11.579 -1.802 1.00 0.00 N ATOM 252 CA GLU A 20 -3.669 -10.735 -2.986 1.00 0.00 C ATOM 253 C GLU A 20 -3.013 -9.401 -2.643 1.00 0.00 C ATOM 254 O GLU A 20 -1.976 -9.044 -3.202 1.00 0.00 O ATOM 255 CB GLU A 20 -5.049 -10.494 -3.601 1.00 0.00 C ATOM 256 CG GLU A 20 -5.442 -11.532 -4.639 1.00 0.00 C ATOM 257 CD GLU A 20 -5.868 -12.847 -4.017 1.00 0.00 C ATOM 258 OE1 GLU A 20 -6.958 -12.890 -3.409 1.00 0.00 O ATOM 259 OE2 GLU A 20 -5.111 -13.833 -4.137 1.00 0.00 O ATOM 0 H GLU A 20 -4.739 -11.807 -1.535 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.042 -11.253 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.795 -10.486 -2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.064 -9.507 -4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.258 -11.141 -5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.600 -11.707 -5.309 1.00 0.00 H new ATOM 266 N ALA A 21 -3.626 -8.667 -1.719 1.00 0.00 N ATOM 267 CA ALA A 21 -3.102 -7.373 -1.300 1.00 0.00 C ATOM 268 C ALA A 21 -1.596 -7.439 -1.071 1.00 0.00 C ATOM 269 O ALA A 21 -0.839 -6.634 -1.617 1.00 0.00 O ATOM 270 CB ALA A 21 -3.809 -6.902 -0.038 1.00 0.00 C ATOM 0 H ALA A 21 -4.486 -8.947 -1.247 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.291 -6.656 -2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.408 -5.934 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.877 -6.807 -0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.649 -7.626 0.761 1.00 0.00 H new ATOM 276 N LEU A 22 -1.166 -8.401 -0.262 1.00 0.00 N ATOM 277 CA LEU A 22 0.251 -8.571 0.039 1.00 0.00 C ATOM 278 C LEU A 22 1.081 -8.596 -1.241 1.00 0.00 C ATOM 279 O LEU A 22 1.920 -7.724 -1.464 1.00 0.00 O ATOM 280 CB LEU A 22 0.473 -9.861 0.830 1.00 0.00 C ATOM 281 CG LEU A 22 0.405 -9.736 2.352 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.628 -11.089 3.010 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.426 -8.724 2.850 1.00 0.00 C ATOM 0 H LEU A 22 -1.778 -9.075 0.197 1.00 0.00 H new ATOM 0 HA LEU A 22 0.573 -7.722 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.271 -10.591 0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.450 -10.264 0.562 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.590 -9.383 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.576 -10.980 4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.141 -11.786 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.610 -11.472 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.363 -8.648 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.427 -9.048 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.220 -7.750 2.406 1.00 0.00 H new ATOM 295 N GLU A 23 0.838 -9.600 -2.077 1.00 0.00 N ATOM 296 CA GLU A 23 1.562 -9.737 -3.336 1.00 0.00 C ATOM 297 C GLU A 23 1.705 -8.386 -4.031 1.00 0.00 C ATOM 298 O GLU A 23 2.774 -8.046 -4.538 1.00 0.00 O ATOM 299 CB GLU A 23 0.845 -10.724 -4.258 1.00 0.00 C ATOM 300 CG GLU A 23 1.131 -12.180 -3.931 1.00 0.00 C ATOM 301 CD GLU A 23 0.547 -13.134 -4.955 1.00 0.00 C ATOM 302 OE1 GLU A 23 0.375 -12.719 -6.120 1.00 0.00 O ATOM 303 OE2 GLU A 23 0.263 -14.294 -4.592 1.00 0.00 O ATOM 0 H GLU A 23 0.146 -10.330 -1.906 1.00 0.00 H new ATOM 0 HA GLU A 23 2.558 -10.119 -3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.229 -10.551 -4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.141 -10.527 -5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.209 -12.330 -3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.723 -12.414 -2.948 1.00 0.00 H new ATOM 310 N HIS A 24 0.618 -7.620 -4.051 1.00 0.00 N ATOM 311 CA HIS A 24 0.621 -6.306 -4.684 1.00 0.00 C ATOM 312 C HIS A 24 1.551 -5.348 -3.945 1.00 0.00 C ATOM 313 O HIS A 24 2.279 -4.571 -4.564 1.00 0.00 O ATOM 314 CB HIS A 24 -0.796 -5.732 -4.723 1.00 0.00 C ATOM 315 CG HIS A 24 -1.583 -6.160 -5.923 1.00 0.00 C ATOM 316 ND1 HIS A 24 -1.165 -5.932 -7.217 1.00 0.00 N ATOM 317 CD2 HIS A 24 -2.767 -6.808 -6.020 1.00 0.00 C ATOM 318 CE1 HIS A 24 -2.060 -6.419 -8.058 1.00 0.00 C ATOM 319 NE2 HIS A 24 -3.042 -6.956 -7.357 1.00 0.00 N ATOM 0 H HIS A 24 -0.275 -7.887 -3.636 1.00 0.00 H new ATOM 0 HA HIS A 24 0.986 -6.423 -5.704 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.328 -6.038 -3.822 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.739 -4.644 -4.706 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.381 -7.146 -5.199 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.999 -6.384 -9.136 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.870 -7.407 -7.746 1.00 0.00 H new ATOM 327 N LEU A 25 1.520 -5.408 -2.618 1.00 0.00 N ATOM 328 CA LEU A 25 2.359 -4.546 -1.793 1.00 0.00 C ATOM 329 C LEU A 25 3.838 -4.828 -2.040 1.00 0.00 C ATOM 330 O LEU A 25 4.683 -3.949 -1.877 1.00 0.00 O ATOM 331 CB LEU A 25 2.030 -4.746 -0.313 1.00 0.00 C ATOM 332 CG LEU A 25 2.906 -3.979 0.679 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.305 -2.614 0.976 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.083 -4.777 1.962 1.00 0.00 C ATOM 0 H LEU A 25 0.923 -6.045 -2.090 1.00 0.00 H new ATOM 0 HA LEU A 25 2.155 -3.511 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.992 -4.456 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.104 -5.809 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 25 3.888 -3.831 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.941 -2.082 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.231 -2.040 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.311 -2.740 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.709 -4.216 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.109 -4.957 2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.559 -5.731 1.734 1.00 0.00 H new ATOM 346 N MET A 26 4.142 -6.059 -2.437 1.00 0.00 N ATOM 347 CA MET A 26 5.519 -6.456 -2.710 1.00 0.00 C ATOM 348 C MET A 26 5.928 -6.059 -4.125 1.00 0.00 C ATOM 349 O MET A 26 7.030 -5.556 -4.344 1.00 0.00 O ATOM 350 CB MET A 26 5.684 -7.965 -2.523 1.00 0.00 C ATOM 351 CG MET A 26 5.260 -8.457 -1.149 1.00 0.00 C ATOM 352 SD MET A 26 5.468 -10.238 -0.954 1.00 0.00 S ATOM 353 CE MET A 26 3.778 -10.744 -0.643 1.00 0.00 C ATOM 0 H MET A 26 3.454 -6.799 -2.577 1.00 0.00 H new ATOM 0 HA MET A 26 6.168 -5.937 -2.004 1.00 0.00 H new ATOM 0 HB2 MET A 26 5.098 -8.483 -3.282 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.728 -8.231 -2.689 1.00 0.00 H new ATOM 0 HG2 MET A 26 5.844 -7.941 -0.387 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.215 -8.197 -0.981 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.750 -11.406 0.223 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.165 -9.864 -0.447 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.389 -11.270 -1.515 1.00 0.00 H new ATOM 363 N ARG A 27 5.034 -6.289 -5.081 1.00 0.00 N ATOM 364 CA ARG A 27 5.304 -5.957 -6.475 1.00 0.00 C ATOM 365 C ARG A 27 5.344 -4.445 -6.676 1.00 0.00 C ATOM 366 O ARG A 27 6.161 -3.930 -7.438 1.00 0.00 O ATOM 367 CB ARG A 27 4.240 -6.575 -7.384 1.00 0.00 C ATOM 368 CG ARG A 27 4.530 -8.017 -7.767 1.00 0.00 C ATOM 369 CD ARG A 27 5.728 -8.117 -8.697 1.00 0.00 C ATOM 370 NE ARG A 27 5.958 -9.486 -9.150 1.00 0.00 N ATOM 371 CZ ARG A 27 7.114 -9.912 -9.646 1.00 0.00 C ATOM 372 NH1 ARG A 27 8.141 -9.080 -9.752 1.00 0.00 N ATOM 373 NH2 ARG A 27 7.245 -11.174 -10.037 1.00 0.00 N ATOM 0 H ARG A 27 4.117 -6.704 -4.916 1.00 0.00 H new ATOM 0 HA ARG A 27 6.279 -6.367 -6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.274 -6.529 -6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.157 -5.977 -8.291 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.717 -8.603 -6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.655 -8.449 -8.252 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.571 -7.471 -9.561 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.617 -7.751 -8.183 1.00 0.00 H new ATOM 0 HE ARG A 27 5.188 -10.152 -9.082 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.044 -8.110 -9.452 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.028 -9.410 -10.133 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.457 -11.817 -9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.133 -11.500 -10.418 1.00 0.00 H new ATOM 387 N VAL A 28 4.454 -3.738 -5.986 1.00 0.00 N ATOM 388 CA VAL A 28 4.387 -2.285 -6.087 1.00 0.00 C ATOM 389 C VAL A 28 5.556 -1.629 -5.362 1.00 0.00 C ATOM 390 O VAL A 28 6.011 -0.550 -5.744 1.00 0.00 O ATOM 391 CB VAL A 28 3.067 -1.742 -5.507 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.879 -2.269 -6.298 1.00 0.00 C ATOM 393 CG2 VAL A 28 2.943 -2.107 -4.036 1.00 0.00 C ATOM 0 H VAL A 28 3.769 -4.148 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 28 4.437 -2.039 -7.148 1.00 0.00 H new ATOM 0 HB VAL A 28 3.073 -0.655 -5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.956 -1.875 -5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.965 -1.953 -7.338 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.864 -3.358 -6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.005 -1.716 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.958 -3.192 -3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.777 -1.676 -3.483 1.00 0.00 H new ATOM 403 N LEU A 29 6.040 -2.287 -4.315 1.00 0.00 N ATOM 404 CA LEU A 29 7.159 -1.769 -3.535 1.00 0.00 C ATOM 405 C LEU A 29 8.427 -1.703 -4.380 1.00 0.00 C ATOM 406 O LEU A 29 9.286 -0.850 -4.160 1.00 0.00 O ATOM 407 CB LEU A 29 7.397 -2.644 -2.304 1.00 0.00 C ATOM 408 CG LEU A 29 6.651 -2.233 -1.034 1.00 0.00 C ATOM 409 CD1 LEU A 29 6.700 -3.349 -0.001 1.00 0.00 C ATOM 410 CD2 LEU A 29 7.235 -0.950 -0.463 1.00 0.00 C ATOM 0 H LEU A 29 5.675 -3.181 -3.986 1.00 0.00 H new ATOM 0 HA LEU A 29 6.908 -0.759 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.116 -3.668 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.465 -2.650 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 29 5.608 -2.050 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.164 -3.038 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.233 -4.245 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.738 -3.564 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.691 -0.673 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.286 -1.105 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.146 -0.151 -1.199 1.00 0.00 H new ATOM 422 N GLU A 30 8.536 -2.609 -5.347 1.00 0.00 N ATOM 423 CA GLU A 30 9.699 -2.652 -6.225 1.00 0.00 C ATOM 424 C GLU A 30 9.428 -1.899 -7.524 1.00 0.00 C ATOM 425 O GLU A 30 10.309 -1.226 -8.060 1.00 0.00 O ATOM 426 CB GLU A 30 10.080 -4.102 -6.533 1.00 0.00 C ATOM 427 CG GLU A 30 10.653 -4.847 -5.339 1.00 0.00 C ATOM 428 CD GLU A 30 10.608 -6.353 -5.515 1.00 0.00 C ATOM 429 OE1 GLU A 30 9.725 -6.837 -6.255 1.00 0.00 O ATOM 430 OE2 GLU A 30 11.455 -7.046 -4.914 1.00 0.00 O ATOM 0 H GLU A 30 7.833 -3.322 -5.542 1.00 0.00 H new ATOM 0 HA GLU A 30 10.529 -2.167 -5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.198 -4.632 -6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.810 -4.113 -7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.685 -4.534 -5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.096 -4.573 -4.443 1.00 0.00 H new ATOM 437 N LYS A 31 8.204 -2.018 -8.026 1.00 0.00 N ATOM 438 CA LYS A 31 7.814 -1.349 -9.262 1.00 0.00 C ATOM 439 C LYS A 31 7.684 0.156 -9.048 1.00 0.00 C ATOM 440 O LYS A 31 8.012 0.949 -9.930 1.00 0.00 O ATOM 441 CB LYS A 31 6.491 -1.918 -9.779 1.00 0.00 C ATOM 442 CG LYS A 31 5.896 -1.125 -10.929 1.00 0.00 C ATOM 443 CD LYS A 31 5.014 -1.995 -11.809 1.00 0.00 C ATOM 444 CE LYS A 31 5.811 -2.644 -12.930 1.00 0.00 C ATOM 445 NZ LYS A 31 6.177 -1.664 -13.990 1.00 0.00 N ATOM 0 H LYS A 31 7.464 -2.572 -7.596 1.00 0.00 H new ATOM 0 HA LYS A 31 8.593 -1.527 -10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.649 -2.947 -10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.773 -1.948 -8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.311 -0.294 -10.535 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.698 -0.694 -11.529 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.542 -2.768 -11.202 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.213 -1.390 -12.234 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.717 -3.091 -12.520 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.227 -3.453 -13.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.472 -2.174 -14.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.355 -1.066 -14.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.960 -1.067 -13.656 1.00 0.00 H new ATOM 459 N LYS A 32 7.203 0.542 -7.871 1.00 0.00 N ATOM 460 CA LYS A 32 7.032 1.951 -7.539 1.00 0.00 C ATOM 461 C LYS A 32 8.381 2.624 -7.306 1.00 0.00 C ATOM 462 O LYS A 32 8.715 3.613 -7.959 1.00 0.00 O ATOM 463 CB LYS A 32 6.154 2.100 -6.294 1.00 0.00 C ATOM 464 CG LYS A 32 4.736 1.592 -6.486 1.00 0.00 C ATOM 465 CD LYS A 32 3.870 2.612 -7.206 1.00 0.00 C ATOM 466 CE LYS A 32 2.453 2.097 -7.406 1.00 0.00 C ATOM 467 NZ LYS A 32 1.799 2.721 -8.590 1.00 0.00 N ATOM 0 H LYS A 32 6.925 -0.102 -7.131 1.00 0.00 H new ATOM 0 HA LYS A 32 6.543 2.440 -8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.616 1.560 -5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.119 3.151 -6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.756 0.663 -7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.297 1.361 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.844 3.539 -6.632 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.312 2.848 -8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.474 1.014 -7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.862 2.303 -6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.835 2.344 -8.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.756 3.752 -8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.349 2.503 -9.445 1.00 0.00 H new ATOM 481 N THR A 33 9.155 2.079 -6.373 1.00 0.00 N ATOM 482 CA THR A 33 10.468 2.626 -6.054 1.00 0.00 C ATOM 483 C THR A 33 11.313 2.795 -7.312 1.00 0.00 C ATOM 484 O THR A 33 12.154 3.690 -7.389 1.00 0.00 O ATOM 485 CB THR A 33 11.225 1.727 -5.059 1.00 0.00 C ATOM 486 OG1 THR A 33 12.431 2.372 -4.634 1.00 0.00 O ATOM 487 CG2 THR A 33 11.558 0.382 -5.688 1.00 0.00 C ATOM 0 H THR A 33 8.895 1.259 -5.825 1.00 0.00 H new ATOM 0 HA THR A 33 10.301 3.601 -5.597 1.00 0.00 H new ATOM 0 HB THR A 33 10.581 1.557 -4.196 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.905 1.794 -4.000 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.092 -0.235 -4.966 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.636 -0.120 -5.983 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.184 0.536 -6.567 1.00 0.00 H new ATOM 495 N GLU A 34 11.083 1.930 -8.295 1.00 0.00 N ATOM 496 CA GLU A 34 11.824 1.986 -9.549 1.00 0.00 C ATOM 497 C GLU A 34 11.681 3.356 -10.206 1.00 0.00 C ATOM 498 O GLU A 34 12.675 4.006 -10.531 1.00 0.00 O ATOM 499 CB GLU A 34 11.334 0.896 -10.506 1.00 0.00 C ATOM 500 CG GLU A 34 12.063 -0.427 -10.345 1.00 0.00 C ATOM 501 CD GLU A 34 13.499 -0.365 -10.828 1.00 0.00 C ATOM 502 OE1 GLU A 34 13.731 0.164 -11.935 1.00 0.00 O ATOM 503 OE2 GLU A 34 14.392 -0.844 -10.097 1.00 0.00 O ATOM 0 H GLU A 34 10.390 1.183 -8.247 1.00 0.00 H new ATOM 0 HA GLU A 34 12.878 1.818 -9.326 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.268 0.736 -10.346 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.453 1.244 -11.532 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.049 -0.720 -9.295 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.531 -1.200 -10.899 1.00 0.00 H new ATOM 510 N GLU A 35 10.439 3.787 -10.397 1.00 0.00 N ATOM 511 CA GLU A 35 10.166 5.079 -11.016 1.00 0.00 C ATOM 512 C GLU A 35 10.576 6.222 -10.093 1.00 0.00 C ATOM 513 O GLU A 35 10.837 7.337 -10.544 1.00 0.00 O ATOM 514 CB GLU A 35 8.681 5.199 -11.366 1.00 0.00 C ATOM 515 CG GLU A 35 7.792 5.457 -10.161 1.00 0.00 C ATOM 516 CD GLU A 35 6.511 6.182 -10.527 1.00 0.00 C ATOM 517 OE1 GLU A 35 6.564 7.082 -11.390 1.00 0.00 O ATOM 518 OE2 GLU A 35 5.455 5.848 -9.949 1.00 0.00 O ATOM 0 H GLU A 35 9.606 3.261 -10.132 1.00 0.00 H new ATOM 0 HA GLU A 35 10.754 5.145 -11.931 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.550 6.008 -12.084 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.356 4.282 -11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.545 4.507 -9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.342 6.047 -9.428 1.00 0.00 H new ATOM 525 N PHE A 36 10.631 5.937 -8.796 1.00 0.00 N ATOM 526 CA PHE A 36 11.008 6.940 -7.807 1.00 0.00 C ATOM 527 C PHE A 36 12.470 7.346 -7.974 1.00 0.00 C ATOM 528 O PHE A 36 12.813 8.525 -7.882 1.00 0.00 O ATOM 529 CB PHE A 36 10.774 6.406 -6.393 1.00 0.00 C ATOM 530 CG PHE A 36 11.770 6.912 -5.389 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.908 8.271 -5.153 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.569 6.029 -4.680 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.823 8.740 -4.230 1.00 0.00 C ATOM 534 CE2 PHE A 36 13.486 6.492 -3.755 1.00 0.00 C ATOM 535 CZ PHE A 36 13.614 7.849 -3.531 1.00 0.00 C ATOM 0 H PHE A 36 10.419 5.019 -8.405 1.00 0.00 H new ATOM 0 HA PHE A 36 10.384 7.820 -7.963 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.771 6.684 -6.070 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.812 5.317 -6.414 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.293 8.972 -5.697 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.474 4.967 -4.852 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.920 9.801 -4.055 1.00 0.00 H new ATOM 0 HE2 PHE A 36 14.102 5.793 -3.208 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.331 8.213 -2.810 1.00 0.00 H new ATOM 545 N LYS A 37 13.327 6.361 -8.220 1.00 0.00 N ATOM 546 CA LYS A 37 14.751 6.613 -8.401 1.00 0.00 C ATOM 547 C LYS A 37 15.079 6.854 -9.871 1.00 0.00 C ATOM 548 O LYS A 37 15.933 7.677 -10.199 1.00 0.00 O ATOM 549 CB LYS A 37 15.570 5.434 -7.872 1.00 0.00 C ATOM 550 CG LYS A 37 15.235 5.054 -6.440 1.00 0.00 C ATOM 551 CD LYS A 37 15.891 3.742 -6.043 1.00 0.00 C ATOM 552 CE LYS A 37 16.139 3.675 -4.543 1.00 0.00 C ATOM 553 NZ LYS A 37 17.145 4.680 -4.102 1.00 0.00 N ATOM 0 H LYS A 37 13.059 5.380 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 37 15.010 7.509 -7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.406 4.570 -8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.630 5.681 -7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.564 5.845 -5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.154 4.970 -6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.255 2.910 -6.345 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.836 3.631 -6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.202 3.842 -4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.483 2.676 -4.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.586 4.364 -3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.876 4.783 -4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.677 5.596 -3.949 1.00 0.00 H new ATOM 567 N GLN A 38 14.393 6.133 -10.752 1.00 0.00 N ATOM 568 CA GLN A 38 14.611 6.270 -12.187 1.00 0.00 C ATOM 569 C GLN A 38 14.071 7.602 -12.695 1.00 0.00 C ATOM 570 O GLN A 38 14.803 8.395 -13.286 1.00 0.00 O ATOM 571 CB GLN A 38 13.945 5.116 -12.938 1.00 0.00 C ATOM 572 CG GLN A 38 14.655 3.783 -12.760 1.00 0.00 C ATOM 573 CD GLN A 38 16.035 3.770 -13.387 1.00 0.00 C ATOM 574 OE1 GLN A 38 17.021 4.147 -12.753 1.00 0.00 O ATOM 575 NE2 GLN A 38 16.113 3.333 -14.638 1.00 0.00 N ATOM 0 H GLN A 38 13.682 5.448 -10.497 1.00 0.00 H new ATOM 0 HA GLN A 38 15.685 6.241 -12.370 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.915 5.018 -12.596 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.907 5.359 -14.000 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.741 3.560 -11.696 1.00 0.00 H new ATOM 0 HG3 GLN A 38 14.051 2.992 -13.204 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.270 3.030 -15.126 1.00 0.00 H new ATOM 0 HE22 GLN A 38 17.016 3.300 -15.111 1.00 0.00 H new ATOM 584 N ASN A 39 12.785 7.842 -12.460 1.00 0.00 N ATOM 585 CA ASN A 39 12.146 9.079 -12.895 1.00 0.00 C ATOM 586 C ASN A 39 12.260 10.157 -11.821 1.00 0.00 C ATOM 587 O ASN A 39 12.949 11.160 -12.004 1.00 0.00 O ATOM 588 CB ASN A 39 10.674 8.828 -13.227 1.00 0.00 C ATOM 589 CG ASN A 39 10.481 8.302 -14.636 1.00 0.00 C ATOM 590 OD1 ASN A 39 11.216 8.667 -15.554 1.00 0.00 O ATOM 591 ND2 ASN A 39 9.488 7.439 -14.814 1.00 0.00 N ATOM 0 H ASN A 39 12.165 7.196 -11.971 1.00 0.00 H new ATOM 0 HA ASN A 39 12.659 9.428 -13.791 1.00 0.00 H new ATOM 0 HB2 ASN A 39 10.261 8.113 -12.515 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.114 9.756 -13.109 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.310 7.051 -15.740 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.903 7.164 -14.025 1.00 0.00 H new ATOM 598 N GLY A 40 11.580 9.941 -10.699 1.00 0.00 N ATOM 599 CA GLY A 40 11.618 10.902 -9.612 1.00 0.00 C ATOM 600 C GLY A 40 10.251 11.146 -9.006 1.00 0.00 C ATOM 601 O GLY A 40 9.359 11.680 -9.664 1.00 0.00 O ATOM 0 H GLY A 40 11.004 9.118 -10.523 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.296 10.544 -8.838 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.023 11.845 -9.979 1.00 0.00 H new ATOM 605 N GLY A 41 10.084 10.753 -7.747 1.00 0.00 N ATOM 606 CA GLY A 41 8.812 10.939 -7.074 1.00 0.00 C ATOM 607 C GLY A 41 8.955 10.980 -5.565 1.00 0.00 C ATOM 608 O GLY A 41 10.066 11.064 -5.041 1.00 0.00 O ATOM 0 H GLY A 41 10.807 10.309 -7.181 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.355 11.867 -7.418 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.137 10.129 -7.350 1.00 0.00 H new ATOM 612 N LYS A 42 7.828 10.922 -4.864 1.00 0.00 N ATOM 613 CA LYS A 42 7.830 10.953 -3.406 1.00 0.00 C ATOM 614 C LYS A 42 8.574 9.749 -2.838 1.00 0.00 C ATOM 615 O LYS A 42 8.418 8.618 -3.299 1.00 0.00 O ATOM 616 CB LYS A 42 6.396 10.978 -2.873 1.00 0.00 C ATOM 617 CG LYS A 42 5.659 12.273 -3.169 1.00 0.00 C ATOM 618 CD LYS A 42 4.159 12.051 -3.265 1.00 0.00 C ATOM 619 CE LYS A 42 3.486 13.145 -4.080 1.00 0.00 C ATOM 620 NZ LYS A 42 3.335 14.405 -3.300 1.00 0.00 N ATOM 0 H LYS A 42 6.900 10.853 -5.282 1.00 0.00 H new ATOM 0 HA LYS A 42 8.344 11.860 -3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.841 10.147 -3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.415 10.819 -1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.871 13.001 -2.385 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.026 12.696 -4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.962 11.081 -3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.729 12.025 -2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.072 13.342 -4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.505 12.802 -4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.872 15.125 -3.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.754 14.224 -2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.273 14.747 -3.008 1.00 0.00 H new ATOM 634 N PRO A 43 9.403 9.994 -1.811 1.00 0.00 N ATOM 635 CA PRO A 43 10.185 8.942 -1.157 1.00 0.00 C ATOM 636 C PRO A 43 9.312 7.986 -0.351 1.00 0.00 C ATOM 637 O PRO A 43 9.807 7.026 0.239 1.00 0.00 O ATOM 638 CB PRO A 43 11.122 9.721 -0.230 1.00 0.00 C ATOM 639 CG PRO A 43 10.408 11.001 0.041 1.00 0.00 C ATOM 640 CD PRO A 43 9.638 11.318 -1.211 1.00 0.00 C ATOM 0 HA PRO A 43 10.704 8.312 -1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.314 9.172 0.692 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.088 9.899 -0.702 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.739 10.901 0.896 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.112 11.798 0.278 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.702 11.830 -0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.205 11.967 -1.878 1.00 0.00 H new ATOM 648 N TYR A 44 8.012 8.255 -0.332 1.00 0.00 N ATOM 649 CA TYR A 44 7.070 7.419 0.403 1.00 0.00 C ATOM 650 C TYR A 44 5.939 6.944 -0.504 1.00 0.00 C ATOM 651 O TYR A 44 5.752 7.462 -1.606 1.00 0.00 O ATOM 652 CB TYR A 44 6.494 8.188 1.594 1.00 0.00 C ATOM 653 CG TYR A 44 5.801 9.475 1.205 1.00 0.00 C ATOM 654 CD1 TYR A 44 6.512 10.662 1.089 1.00 0.00 C ATOM 655 CD2 TYR A 44 4.435 9.502 0.953 1.00 0.00 C ATOM 656 CE1 TYR A 44 5.883 11.840 0.736 1.00 0.00 C ATOM 657 CE2 TYR A 44 3.797 10.675 0.597 1.00 0.00 C ATOM 658 CZ TYR A 44 4.526 11.841 0.490 1.00 0.00 C ATOM 659 OH TYR A 44 3.895 13.012 0.136 1.00 0.00 O ATOM 0 H TYR A 44 7.586 9.045 -0.817 1.00 0.00 H new ATOM 0 HA TYR A 44 7.609 6.545 0.769 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.786 7.548 2.121 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.299 8.415 2.293 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.575 10.664 1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.862 8.590 1.037 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.451 12.755 0.653 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.734 10.679 0.404 1.00 0.00 H new ATOM 0 HH TYR A 44 2.940 12.840 -0.003 1.00 0.00 H new ATOM 669 N LEU A 45 5.187 5.955 -0.034 1.00 0.00 N ATOM 670 CA LEU A 45 4.073 5.410 -0.801 1.00 0.00 C ATOM 671 C LEU A 45 2.820 5.299 0.061 1.00 0.00 C ATOM 672 O LEU A 45 2.876 4.829 1.198 1.00 0.00 O ATOM 673 CB LEU A 45 4.441 4.036 -1.365 1.00 0.00 C ATOM 674 CG LEU A 45 3.521 3.491 -2.458 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.775 4.208 -3.775 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.716 1.990 -2.620 1.00 0.00 C ATOM 0 H LEU A 45 5.329 5.514 0.875 1.00 0.00 H new ATOM 0 HA LEU A 45 3.864 6.091 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.454 4.089 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.459 3.321 -0.543 1.00 0.00 H new ATOM 0 HG LEU A 45 2.488 3.673 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.111 3.807 -4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.585 5.274 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.811 4.057 -4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.053 1.619 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.751 1.785 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.484 1.489 -1.680 1.00 0.00 H new ATOM 688 N SER A 46 1.689 5.732 -0.487 1.00 0.00 N ATOM 689 CA SER A 46 0.422 5.683 0.232 1.00 0.00 C ATOM 690 C SER A 46 -0.242 4.319 0.070 1.00 0.00 C ATOM 691 O SER A 46 -0.652 3.942 -1.028 1.00 0.00 O ATOM 692 CB SER A 46 -0.516 6.783 -0.268 1.00 0.00 C ATOM 693 OG SER A 46 -0.023 8.067 0.071 1.00 0.00 O ATOM 0 H SER A 46 1.625 6.121 -1.428 1.00 0.00 H new ATOM 0 HA SER A 46 0.627 5.844 1.290 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.627 6.707 -1.350 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.507 6.645 0.165 1.00 0.00 H new ATOM 0 HG SER A 46 -0.640 8.752 -0.261 1.00 0.00 H new ATOM 699 N VAL A 47 -0.345 3.583 1.172 1.00 0.00 N ATOM 700 CA VAL A 47 -0.961 2.262 1.154 1.00 0.00 C ATOM 701 C VAL A 47 -2.231 2.236 1.996 1.00 0.00 C ATOM 702 O VAL A 47 -2.173 2.231 3.226 1.00 0.00 O ATOM 703 CB VAL A 47 0.009 1.184 1.675 1.00 0.00 C ATOM 704 CG1 VAL A 47 -0.670 -0.177 1.703 1.00 0.00 C ATOM 705 CG2 VAL A 47 1.268 1.144 0.822 1.00 0.00 C ATOM 0 H VAL A 47 -0.010 3.879 2.089 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.212 2.044 0.116 1.00 0.00 H new ATOM 0 HB VAL A 47 0.297 1.440 2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.030 -0.925 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.539 -0.137 2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.989 -0.445 0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.942 0.377 1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.002 0.912 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.764 2.114 0.859 1.00 0.00 H new ATOM 715 N ILE A 48 -3.378 2.218 1.326 1.00 0.00 N ATOM 716 CA ILE A 48 -4.664 2.191 2.012 1.00 0.00 C ATOM 717 C ILE A 48 -5.183 0.764 2.150 1.00 0.00 C ATOM 718 O ILE A 48 -5.618 0.152 1.175 1.00 0.00 O ATOM 719 CB ILE A 48 -5.715 3.038 1.272 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.269 4.500 1.206 1.00 0.00 C ATOM 721 CG2 ILE A 48 -7.068 2.922 1.959 1.00 0.00 C ATOM 722 CD1 ILE A 48 -6.086 5.338 0.247 1.00 0.00 C ATOM 0 H ILE A 48 -3.443 2.222 0.308 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.502 2.614 3.003 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.813 2.661 0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.333 4.936 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.221 4.539 0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.801 3.526 1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.388 1.880 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.986 3.276 2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.714 6.363 0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.002 4.926 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.131 5.330 0.556 1.00 0.00 H new ATOM 734 N THR A 49 -5.136 0.238 3.371 1.00 0.00 N ATOM 735 CA THR A 49 -5.602 -1.117 3.638 1.00 0.00 C ATOM 736 C THR A 49 -7.108 -1.144 3.872 1.00 0.00 C ATOM 737 O THR A 49 -7.762 -2.161 3.648 1.00 0.00 O ATOM 738 CB THR A 49 -4.892 -1.723 4.863 1.00 0.00 C ATOM 739 OG1 THR A 49 -4.922 -0.798 5.955 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.450 -2.078 4.532 1.00 0.00 C ATOM 0 H THR A 49 -4.780 0.730 4.190 1.00 0.00 H new ATOM 0 HA THR A 49 -5.364 -1.713 2.757 1.00 0.00 H new ATOM 0 HB THR A 49 -5.419 -2.635 5.146 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.019 -0.454 6.118 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.969 -2.504 5.412 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.431 -2.805 3.720 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.915 -1.179 4.226 1.00 0.00 H new ATOM 885 N ARG A 61 -7.918 -7.811 8.228 1.00 0.00 N ATOM 886 CA ARG A 61 -6.820 -8.764 8.330 1.00 0.00 C ATOM 887 C ARG A 61 -5.697 -8.406 7.360 1.00 0.00 C ATOM 888 O ARG A 61 -4.659 -9.068 7.326 1.00 0.00 O ATOM 889 CB ARG A 61 -7.319 -10.182 8.048 1.00 0.00 C ATOM 890 CG ARG A 61 -6.351 -11.268 8.488 1.00 0.00 C ATOM 891 CD ARG A 61 -6.255 -11.348 10.004 1.00 0.00 C ATOM 892 NE ARG A 61 -5.342 -12.401 10.440 1.00 0.00 N ATOM 893 CZ ARG A 61 -5.653 -13.693 10.433 1.00 0.00 C ATOM 894 NH1 ARG A 61 -6.847 -14.088 10.015 1.00 0.00 N ATOM 895 NH2 ARG A 61 -4.768 -14.591 10.845 1.00 0.00 N ATOM 0 HA ARG A 61 -6.427 -8.720 9.346 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.272 -10.330 8.555 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.507 -10.286 6.979 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.677 -12.230 8.092 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.364 -11.069 8.070 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.917 -10.389 10.397 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.245 -11.531 10.421 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.415 -12.130 10.768 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.530 -13.400 9.698 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.083 -15.080 10.011 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.848 -14.290 11.167 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.007 -15.583 10.839 1.00 0.00 H new ATOM 909 N ILE A 62 -5.914 -7.358 6.574 1.00 0.00 N ATOM 910 CA ILE A 62 -4.921 -6.912 5.604 1.00 0.00 C ATOM 911 C ILE A 62 -3.855 -6.046 6.267 1.00 0.00 C ATOM 912 O ILE A 62 -2.681 -6.413 6.313 1.00 0.00 O ATOM 913 CB ILE A 62 -5.571 -6.117 4.457 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.625 -6.971 3.748 1.00 0.00 C ATOM 915 CG2 ILE A 62 -4.512 -5.647 3.471 1.00 0.00 C ATOM 916 CD1 ILE A 62 -7.312 -6.258 2.605 1.00 0.00 C ATOM 0 H ILE A 62 -6.769 -6.801 6.589 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.455 -7.809 5.195 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.063 -5.240 4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.152 -7.877 3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.376 -7.284 4.474 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.987 -5.087 2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.795 -5.007 3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.994 -6.511 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.046 -6.923 2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.815 -5.367 2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.572 -5.969 1.859 1.00 0.00 H new ATOM 928 N LYS A 63 -4.272 -4.895 6.783 1.00 0.00 N ATOM 929 CA LYS A 63 -3.355 -3.976 7.447 1.00 0.00 C ATOM 930 C LYS A 63 -2.368 -4.736 8.328 1.00 0.00 C ATOM 931 O LYS A 63 -1.154 -4.545 8.247 1.00 0.00 O ATOM 932 CB LYS A 63 -4.136 -2.966 8.291 1.00 0.00 C ATOM 933 CG LYS A 63 -3.435 -2.584 9.584 1.00 0.00 C ATOM 934 CD LYS A 63 -4.343 -1.768 10.490 1.00 0.00 C ATOM 935 CE LYS A 63 -3.637 -1.376 11.778 1.00 0.00 C ATOM 936 NZ LYS A 63 -4.511 -0.556 12.662 1.00 0.00 N ATOM 0 H LYS A 63 -5.240 -4.576 6.754 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.794 -3.442 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.307 -2.066 7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.115 -3.382 8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.114 -3.486 10.105 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.536 -2.011 9.356 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.671 -0.870 9.966 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.238 -2.344 10.725 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.325 -2.275 12.309 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.733 -0.816 11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.993 -0.309 13.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.789 0.314 12.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.362 -1.100 12.910 1.00 0.00 H new ATOM 950 N PRO A 64 -2.897 -5.618 9.188 1.00 0.00 N ATOM 951 CA PRO A 64 -2.080 -6.425 10.098 1.00 0.00 C ATOM 952 C PRO A 64 -0.906 -7.090 9.387 1.00 0.00 C ATOM 953 O PRO A 64 0.252 -6.866 9.738 1.00 0.00 O ATOM 954 CB PRO A 64 -3.060 -7.481 10.614 1.00 0.00 C ATOM 955 CG PRO A 64 -4.401 -6.842 10.497 1.00 0.00 C ATOM 956 CD PRO A 64 -4.336 -5.897 9.337 1.00 0.00 C ATOM 0 HA PRO A 64 -1.630 -5.821 10.886 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.004 -8.395 10.023 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.840 -7.754 11.646 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.174 -7.594 10.339 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.656 -6.310 11.414 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.752 -6.344 8.434 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.902 -4.986 9.532 1.00 0.00 H new ATOM 964 N ALA A 65 -1.213 -7.908 8.386 1.00 0.00 N ATOM 965 CA ALA A 65 -0.183 -8.604 7.624 1.00 0.00 C ATOM 966 C ALA A 65 0.884 -7.633 7.130 1.00 0.00 C ATOM 967 O ALA A 65 2.068 -7.792 7.428 1.00 0.00 O ATOM 968 CB ALA A 65 -0.805 -9.349 6.453 1.00 0.00 C ATOM 0 H ALA A 65 -2.167 -8.105 8.084 1.00 0.00 H new ATOM 0 HA ALA A 65 0.298 -9.326 8.284 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.024 -9.864 5.893 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.524 -10.078 6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.313 -8.640 5.799 1.00 0.00 H new ATOM 974 N VAL A 66 0.457 -6.628 6.372 1.00 0.00 N ATOM 975 CA VAL A 66 1.376 -5.631 5.837 1.00 0.00 C ATOM 976 C VAL A 66 2.422 -5.234 6.873 1.00 0.00 C ATOM 977 O VAL A 66 3.619 -5.215 6.585 1.00 0.00 O ATOM 978 CB VAL A 66 0.626 -4.368 5.372 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.605 -3.325 4.855 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.401 -4.721 4.306 1.00 0.00 C ATOM 0 H VAL A 66 -0.519 -6.483 6.115 1.00 0.00 H new ATOM 0 HA VAL A 66 1.872 -6.087 4.980 1.00 0.00 H new ATOM 0 HB VAL A 66 0.099 -3.944 6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.057 -2.440 4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.299 -3.051 5.650 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.162 -3.735 4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.922 -3.817 3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.103 -5.169 3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.121 -5.430 4.715 1.00 0.00 H new ATOM 990 N ILE A 67 1.962 -4.919 8.079 1.00 0.00 N ATOM 991 CA ILE A 67 2.859 -4.525 9.158 1.00 0.00 C ATOM 992 C ILE A 67 3.918 -5.592 9.411 1.00 0.00 C ATOM 993 O ILE A 67 5.101 -5.286 9.557 1.00 0.00 O ATOM 994 CB ILE A 67 2.086 -4.265 10.465 1.00 0.00 C ATOM 995 CG1 ILE A 67 1.183 -3.039 10.314 1.00 0.00 C ATOM 996 CG2 ILE A 67 3.053 -4.078 11.624 1.00 0.00 C ATOM 997 CD1 ILE A 67 0.150 -2.910 11.411 1.00 0.00 C ATOM 0 H ILE A 67 0.974 -4.929 8.333 1.00 0.00 H new ATOM 0 HA ILE A 67 3.346 -3.602 8.842 1.00 0.00 H new ATOM 0 HB ILE A 67 1.459 -5.131 10.677 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.802 -2.142 10.301 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.674 -3.089 9.351 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.492 -3.895 12.540 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.658 -4.977 11.742 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.704 -3.227 11.421 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.454 -2.019 11.239 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.493 -3.790 11.410 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.652 -2.828 12.375 1.00 0.00 H new ATOM 1009 N LYS A 68 3.485 -6.847 9.460 1.00 0.00 N ATOM 1010 CA LYS A 68 4.395 -7.963 9.692 1.00 0.00 C ATOM 1011 C LYS A 68 5.421 -8.070 8.569 1.00 0.00 C ATOM 1012 O LYS A 68 6.609 -8.280 8.818 1.00 0.00 O ATOM 1013 CB LYS A 68 3.611 -9.272 9.808 1.00 0.00 C ATOM 1014 CG LYS A 68 4.405 -10.403 10.438 1.00 0.00 C ATOM 1015 CD LYS A 68 3.562 -11.658 10.593 1.00 0.00 C ATOM 1016 CE LYS A 68 4.230 -12.668 11.512 1.00 0.00 C ATOM 1017 NZ LYS A 68 5.222 -13.509 10.786 1.00 0.00 N ATOM 0 H LYS A 68 2.509 -7.117 9.342 1.00 0.00 H new ATOM 0 HA LYS A 68 4.924 -7.780 10.627 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.713 -9.096 10.400 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.283 -9.579 8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.277 -10.623 9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.775 -10.089 11.414 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.583 -11.393 10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.396 -12.109 9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.727 -12.143 12.328 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.471 -13.308 11.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.655 -14.184 11.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.744 -14.030 10.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.961 -12.901 10.379 1.00 0.00 H new ATOM 1031 N TYR A 69 4.957 -7.923 7.333 1.00 0.00 N ATOM 1032 CA TYR A 69 5.834 -8.004 6.172 1.00 0.00 C ATOM 1033 C TYR A 69 6.847 -6.863 6.174 1.00 0.00 C ATOM 1034 O TYR A 69 8.030 -7.066 5.895 1.00 0.00 O ATOM 1035 CB TYR A 69 5.013 -7.970 4.882 1.00 0.00 C ATOM 1036 CG TYR A 69 5.846 -7.756 3.639 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.315 -6.492 3.302 1.00 0.00 C ATOM 1038 CD2 TYR A 69 6.166 -8.818 2.802 1.00 0.00 C ATOM 1039 CE1 TYR A 69 7.076 -6.291 2.167 1.00 0.00 C ATOM 1040 CE2 TYR A 69 6.928 -8.627 1.665 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.380 -7.362 1.352 1.00 0.00 C ATOM 1042 OH TYR A 69 8.139 -7.166 0.221 1.00 0.00 O ATOM 0 H TYR A 69 3.977 -7.747 7.110 1.00 0.00 H new ATOM 0 HA TYR A 69 6.377 -8.948 6.224 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.465 -8.907 4.785 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.272 -7.174 4.954 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.080 -5.652 3.939 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.813 -9.810 3.044 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.431 -5.302 1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.168 -9.463 1.025 1.00 0.00 H new ATOM 0 HH TYR A 69 8.263 -8.021 -0.242 1.00 0.00 H new ATOM 1052 N LEU A 70 6.375 -5.663 6.490 1.00 0.00 N ATOM 1053 CA LEU A 70 7.238 -4.487 6.530 1.00 0.00 C ATOM 1054 C LEU A 70 8.364 -4.672 7.542 1.00 0.00 C ATOM 1055 O LEU A 70 9.542 -4.562 7.201 1.00 0.00 O ATOM 1056 CB LEU A 70 6.421 -3.242 6.880 1.00 0.00 C ATOM 1057 CG LEU A 70 5.427 -2.770 5.818 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.476 -1.736 6.399 1.00 0.00 C ATOM 1059 CD2 LEU A 70 6.164 -2.203 4.613 1.00 0.00 C ATOM 0 H LEU A 70 5.399 -5.478 6.722 1.00 0.00 H new ATOM 0 HA LEU A 70 7.680 -4.358 5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.872 -3.440 7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.112 -2.426 7.090 1.00 0.00 H new ATOM 0 HG LEU A 70 4.840 -3.628 5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.776 -1.412 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.924 -2.176 7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.045 -0.878 6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.441 -1.872 3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.776 -1.357 4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.803 -2.973 4.182 1.00 0.00 H new ATOM 1071 N ILE A 71 7.994 -4.955 8.786 1.00 0.00 N ATOM 1072 CA ILE A 71 8.973 -5.159 9.846 1.00 0.00 C ATOM 1073 C ILE A 71 10.044 -6.158 9.421 1.00 0.00 C ATOM 1074 O ILE A 71 11.237 -5.922 9.610 1.00 0.00 O ATOM 1075 CB ILE A 71 8.305 -5.658 11.141 1.00 0.00 C ATOM 1076 CG1 ILE A 71 7.261 -4.650 11.625 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.352 -5.902 12.217 1.00 0.00 C ATOM 1078 CD1 ILE A 71 6.326 -5.205 12.676 1.00 0.00 C ATOM 0 H ILE A 71 7.023 -5.048 9.085 1.00 0.00 H new ATOM 0 HA ILE A 71 9.438 -4.192 10.037 1.00 0.00 H new ATOM 0 HB ILE A 71 7.801 -6.601 10.931 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.772 -3.776 12.030 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.674 -4.309 10.772 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.864 -6.254 13.126 1.00 0.00 H new ATOM 0 HG22 ILE A 71 10.061 -6.654 11.871 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.882 -4.973 12.426 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.613 -4.435 12.972 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.788 -6.061 12.269 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.902 -5.520 13.546 1.00 0.00 H new ATOM 1090 N SER A 72 9.609 -7.274 8.845 1.00 0.00 N ATOM 1091 CA SER A 72 10.530 -8.310 8.394 1.00 0.00 C ATOM 1092 C SER A 72 11.632 -7.716 7.523 1.00 0.00 C ATOM 1093 O SER A 72 12.818 -7.954 7.754 1.00 0.00 O ATOM 1094 CB SER A 72 9.775 -9.390 7.616 1.00 0.00 C ATOM 1095 OG SER A 72 8.840 -10.057 8.446 1.00 0.00 O ATOM 0 H SER A 72 8.625 -7.484 8.680 1.00 0.00 H new ATOM 0 HA SER A 72 10.990 -8.760 9.274 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.257 -8.938 6.770 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.483 -10.111 7.208 1.00 0.00 H new ATOM 0 HG SER A 72 8.064 -9.478 8.596 1.00 0.00 H new ATOM 1101 N HIS A 73 11.232 -6.942 6.520 1.00 0.00 N ATOM 1102 CA HIS A 73 12.185 -6.312 5.612 1.00 0.00 C ATOM 1103 C HIS A 73 12.735 -5.022 6.213 1.00 0.00 C ATOM 1104 O HIS A 73 13.413 -4.250 5.534 1.00 0.00 O ATOM 1105 CB HIS A 73 11.522 -6.020 4.266 1.00 0.00 C ATOM 1106 CG HIS A 73 11.539 -7.185 3.325 1.00 0.00 C ATOM 1107 ND1 HIS A 73 10.554 -7.408 2.386 1.00 0.00 N ATOM 1108 CD2 HIS A 73 12.430 -8.193 3.180 1.00 0.00 C ATOM 1109 CE1 HIS A 73 10.837 -8.504 1.706 1.00 0.00 C ATOM 1110 NE2 HIS A 73 11.971 -9.000 2.168 1.00 0.00 N ATOM 0 H HIS A 73 10.254 -6.735 6.315 1.00 0.00 H new ATOM 0 HA HIS A 73 13.014 -7.002 5.457 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.489 -5.717 4.437 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.028 -5.177 3.796 1.00 0.00 H new ATOM 0 HD1 HIS A 73 9.735 -6.818 2.240 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.334 -8.336 3.753 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.243 -8.924 0.908 1.00 0.00 H new ATOM 1118 N SER A 74 12.439 -4.795 7.488 1.00 0.00 N ATOM 1119 CA SER A 74 12.900 -3.596 8.179 1.00 0.00 C ATOM 1120 C SER A 74 12.430 -2.338 7.455 1.00 0.00 C ATOM 1121 O SER A 74 13.209 -1.413 7.224 1.00 0.00 O ATOM 1122 CB SER A 74 14.427 -3.597 8.283 1.00 0.00 C ATOM 1123 OG SER A 74 14.875 -4.595 9.183 1.00 0.00 O ATOM 0 H SER A 74 11.882 -5.426 8.064 1.00 0.00 H new ATOM 0 HA SER A 74 12.474 -3.598 9.182 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.862 -3.769 7.298 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.773 -2.619 8.618 1.00 0.00 H new ATOM 0 HG SER A 74 15.854 -4.577 9.231 1.00 0.00 H new ATOM 1129 N PHE A 75 11.149 -2.311 7.101 1.00 0.00 N ATOM 1130 CA PHE A 75 10.573 -1.167 6.403 1.00 0.00 C ATOM 1131 C PHE A 75 10.051 -0.131 7.394 1.00 0.00 C ATOM 1132 O PHE A 75 9.381 -0.472 8.369 1.00 0.00 O ATOM 1133 CB PHE A 75 9.441 -1.623 5.481 1.00 0.00 C ATOM 1134 CG PHE A 75 9.904 -1.997 4.102 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.570 -1.078 3.307 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.675 -3.269 3.601 1.00 0.00 C ATOM 1137 CE1 PHE A 75 10.997 -1.420 2.038 1.00 0.00 C ATOM 1138 CE2 PHE A 75 10.100 -3.616 2.332 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.763 -2.691 1.550 1.00 0.00 C ATOM 0 H PHE A 75 10.491 -3.068 7.286 1.00 0.00 H new ATOM 0 HA PHE A 75 11.358 -0.706 5.803 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.939 -2.479 5.932 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.703 -0.825 5.404 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.757 -0.083 3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.159 -3.997 4.209 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.514 -0.694 1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.914 -4.610 1.953 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.098 -2.961 0.559 1.00 0.00 H new ATOM 1149 N ARG A 76 10.364 1.135 7.138 1.00 0.00 N ATOM 1150 CA ARG A 76 9.928 2.221 8.008 1.00 0.00 C ATOM 1151 C ARG A 76 8.568 2.756 7.570 1.00 0.00 C ATOM 1152 O ARG A 76 8.304 2.908 6.377 1.00 0.00 O ATOM 1153 CB ARG A 76 10.959 3.351 8.003 1.00 0.00 C ATOM 1154 CG ARG A 76 10.778 4.345 9.138 1.00 0.00 C ATOM 1155 CD ARG A 76 11.530 3.908 10.386 1.00 0.00 C ATOM 1156 NE ARG A 76 11.100 4.646 11.571 1.00 0.00 N ATOM 1157 CZ ARG A 76 11.685 4.535 12.758 1.00 0.00 C ATOM 1158 NH1 ARG A 76 12.719 3.720 12.918 1.00 0.00 N ATOM 1159 NH2 ARG A 76 11.236 5.240 13.789 1.00 0.00 N ATOM 0 H ARG A 76 10.918 1.434 6.335 1.00 0.00 H new ATOM 0 HA ARG A 76 9.835 1.828 9.020 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.958 2.920 8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.899 3.882 7.053 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.132 5.327 8.823 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.717 4.447 9.368 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.375 2.841 10.547 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.599 4.056 10.235 1.00 0.00 H new ATOM 0 HE ARG A 76 10.307 5.281 11.482 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.067 3.176 12.128 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.166 3.637 13.831 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.441 5.868 13.670 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.686 5.154 14.700 1.00 0.00 H new ATOM 1173 N PHE A 77 7.708 3.039 8.543 1.00 0.00 N ATOM 1174 CA PHE A 77 6.375 3.555 8.259 1.00 0.00 C ATOM 1175 C PHE A 77 5.805 4.288 9.470 1.00 0.00 C ATOM 1176 O PHE A 77 6.276 4.110 10.594 1.00 0.00 O ATOM 1177 CB PHE A 77 5.439 2.415 7.852 1.00 0.00 C ATOM 1178 CG PHE A 77 5.205 1.412 8.946 1.00 0.00 C ATOM 1179 CD1 PHE A 77 6.243 0.623 9.414 1.00 0.00 C ATOM 1180 CD2 PHE A 77 3.947 1.259 9.505 1.00 0.00 C ATOM 1181 CE1 PHE A 77 6.031 -0.300 10.421 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.729 0.338 10.512 1.00 0.00 C ATOM 1183 CZ PHE A 77 4.772 -0.443 10.970 1.00 0.00 C ATOM 0 H PHE A 77 7.911 2.919 9.535 1.00 0.00 H new ATOM 0 HA PHE A 77 6.456 4.262 7.433 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.481 2.834 7.544 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.857 1.904 6.985 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.229 0.730 8.987 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.127 1.866 9.150 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.849 -0.908 10.778 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.744 0.229 10.941 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.603 -1.164 11.756 1.00 0.00 H new ATOM 1193 N SER A 78 4.790 5.112 9.232 1.00 0.00 N ATOM 1194 CA SER A 78 4.159 5.876 10.302 1.00 0.00 C ATOM 1195 C SER A 78 2.649 5.955 10.096 1.00 0.00 C ATOM 1196 O SER A 78 2.178 6.432 9.064 1.00 0.00 O ATOM 1197 CB SER A 78 4.750 7.285 10.369 1.00 0.00 C ATOM 1198 OG SER A 78 5.912 7.313 11.181 1.00 0.00 O ATOM 0 H SER A 78 4.387 5.268 8.308 1.00 0.00 H new ATOM 0 HA SER A 78 4.354 5.363 11.244 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.997 7.627 9.364 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.007 7.976 10.768 1.00 0.00 H new ATOM 0 HG SER A 78 6.296 6.413 11.233 1.00 0.00 H new ATOM 1204 N GLU A 79 1.897 5.483 11.085 1.00 0.00 N ATOM 1205 CA GLU A 79 0.441 5.499 11.012 1.00 0.00 C ATOM 1206 C GLU A 79 -0.097 6.916 11.190 1.00 0.00 C ATOM 1207 O GLU A 79 -0.126 7.444 12.302 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.156 4.577 12.077 1.00 0.00 C ATOM 1209 CG GLU A 79 -1.662 4.416 11.967 1.00 0.00 C ATOM 1210 CD GLU A 79 -2.421 5.492 12.720 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -2.525 5.389 13.960 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -2.910 6.438 12.068 1.00 0.00 O ATOM 0 H GLU A 79 2.272 5.085 11.946 1.00 0.00 H new ATOM 0 HA GLU A 79 0.148 5.139 10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.312 3.596 12.000 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.088 4.970 13.064 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.950 4.441 10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.948 3.437 12.353 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.520 7.525 10.088 1.00 0.00 N ATOM 1220 CA ILE A 80 -1.058 8.879 10.122 1.00 0.00 C ATOM 1221 C ILE A 80 -2.581 8.865 10.194 1.00 0.00 C ATOM 1222 O ILE A 80 -3.197 9.782 10.737 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.621 9.690 8.888 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -0.880 8.892 7.609 1.00 0.00 C ATOM 1225 CG2 ILE A 80 0.850 10.067 8.995 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -0.803 9.726 6.350 1.00 0.00 C ATOM 0 H ILE A 80 -0.501 7.102 9.160 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.659 9.354 11.018 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.209 10.607 8.847 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.154 8.081 7.543 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.866 8.432 7.671 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.144 10.640 8.115 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.007 10.670 9.890 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.454 9.162 9.057 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.997 9.095 5.483 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.548 10.521 6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.191 10.164 6.264 1.00 0.00 H new ATOM 1238 N LYS A 81 -3.183 7.816 9.644 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.635 7.679 9.647 1.00 0.00 C ATOM 1240 C LYS A 81 -5.050 6.306 10.166 1.00 0.00 C ATOM 1241 O LYS A 81 -4.315 5.325 10.055 1.00 0.00 O ATOM 1242 CB LYS A 81 -5.191 7.893 8.238 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.600 9.097 7.526 1.00 0.00 C ATOM 1244 CD LYS A 81 -5.591 9.711 6.551 1.00 0.00 C ATOM 1245 CE LYS A 81 -6.721 10.424 7.279 1.00 0.00 C ATOM 1246 NZ LYS A 81 -7.376 11.447 6.418 1.00 0.00 N ATOM 0 H LYS A 81 -2.688 7.048 9.190 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.046 8.439 10.312 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.001 7.000 7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.273 8.012 8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.301 9.844 8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.699 8.798 6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.074 10.416 5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.004 8.931 5.911 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.462 9.694 7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.330 10.902 8.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.140 11.910 6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.674 12.158 6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.772 10.988 5.573 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.258 6.232 10.746 1.00 0.00 N ATOM 1261 CA PRO A 82 -6.799 4.984 11.292 1.00 0.00 C ATOM 1262 C PRO A 82 -7.153 3.979 10.201 1.00 0.00 C ATOM 1263 O PRO A 82 -7.672 2.900 10.482 1.00 0.00 O ATOM 1264 CB PRO A 82 -8.060 5.437 12.031 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.465 6.699 11.351 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.188 7.361 10.913 1.00 0.00 C ATOM 0 HA PRO A 82 -6.077 4.471 11.927 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.846 4.685 11.970 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.860 5.604 13.089 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -9.110 6.493 10.497 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.027 7.344 12.027 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.320 7.913 9.983 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.828 8.071 11.657 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.868 4.342 8.953 1.00 0.00 N ATOM 1275 CA GLY A 83 -7.163 3.461 7.839 1.00 0.00 C ATOM 1276 C GLY A 83 -6.181 3.624 6.695 1.00 0.00 C ATOM 1277 O GLY A 83 -6.492 3.293 5.550 1.00 0.00 O ATOM 0 H GLY A 83 -6.438 5.230 8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.147 2.427 8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.172 3.661 7.479 1.00 0.00 H new ATOM 1281 N CYS A 84 -4.995 4.136 7.004 1.00 0.00 N ATOM 1282 CA CYS A 84 -3.966 4.345 5.992 1.00 0.00 C ATOM 1283 C CYS A 84 -2.582 4.035 6.553 1.00 0.00 C ATOM 1284 O CYS A 84 -2.373 4.053 7.767 1.00 0.00 O ATOM 1285 CB CYS A 84 -4.010 5.785 5.479 1.00 0.00 C ATOM 1286 SG CYS A 84 -3.317 6.001 3.823 1.00 0.00 S ATOM 0 H CYS A 84 -4.722 4.414 7.947 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.164 3.666 5.163 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.045 6.126 5.475 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.466 6.424 6.175 1.00 0.00 H new ATOM 0 HG CYS A 84 -3.402 7.251 3.477 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.639 3.748 5.662 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.274 3.431 6.067 1.00 0.00 C ATOM 1294 C LEU A 85 0.738 4.085 5.131 1.00 0.00 C ATOM 1295 O LEU A 85 0.637 3.967 3.910 1.00 0.00 O ATOM 1296 CB LEU A 85 -0.064 1.916 6.085 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.841 1.144 7.152 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.666 -0.354 6.960 1.00 0.00 C ATOM 1299 CD2 LEU A 85 -0.391 1.561 8.545 1.00 0.00 C ATOM 0 H LEU A 85 -1.795 3.728 4.654 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.120 3.825 7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.337 1.520 5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.999 1.718 6.224 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.900 1.382 7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.226 -0.887 7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.037 -0.640 5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.391 -0.610 7.038 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.954 1.002 9.292 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.673 1.352 8.661 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.568 2.628 8.681 1.00 0.00 H new ATOM 1311 N LYS A 86 1.714 4.774 5.712 1.00 0.00 N ATOM 1312 CA LYS A 86 2.748 5.444 4.931 1.00 0.00 C ATOM 1313 C LYS A 86 4.086 4.725 5.069 1.00 0.00 C ATOM 1314 O LYS A 86 4.690 4.718 6.142 1.00 0.00 O ATOM 1315 CB LYS A 86 2.890 6.900 5.379 1.00 0.00 C ATOM 1316 CG LYS A 86 3.838 7.713 4.514 1.00 0.00 C ATOM 1317 CD LYS A 86 3.685 9.203 4.767 1.00 0.00 C ATOM 1318 CE LYS A 86 4.974 9.954 4.467 1.00 0.00 C ATOM 1319 NZ LYS A 86 5.956 9.836 5.580 1.00 0.00 N ATOM 0 H LYS A 86 1.811 4.883 6.721 1.00 0.00 H new ATOM 0 HA LYS A 86 2.450 5.420 3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.907 7.372 5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.243 6.921 6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.866 7.412 4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.646 7.500 3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.880 9.598 4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.399 9.369 5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.416 9.565 3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.749 11.006 4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.820 10.361 5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.544 10.230 6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.190 8.834 5.731 1.00 0.00 H new ATOM 1333 N VAL A 87 4.544 4.122 3.977 1.00 0.00 N ATOM 1334 CA VAL A 87 5.813 3.403 3.975 1.00 0.00 C ATOM 1335 C VAL A 87 6.846 4.113 3.109 1.00 0.00 C ATOM 1336 O VAL A 87 6.561 4.499 1.975 1.00 0.00 O ATOM 1337 CB VAL A 87 5.638 1.959 3.468 1.00 0.00 C ATOM 1338 CG1 VAL A 87 6.959 1.207 3.535 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.564 1.240 4.269 1.00 0.00 C ATOM 0 H VAL A 87 4.055 4.117 3.082 1.00 0.00 H new ATOM 0 HA VAL A 87 6.165 3.378 5.006 1.00 0.00 H new ATOM 0 HB VAL A 87 5.319 1.993 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.817 0.189 3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.698 1.713 2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.310 1.180 4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.454 0.221 3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.851 1.214 5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.617 1.769 4.164 1.00 0.00 H new ATOM 1349 N MET A 88 8.048 4.282 3.650 1.00 0.00 N ATOM 1350 CA MET A 88 9.126 4.945 2.925 1.00 0.00 C ATOM 1351 C MET A 88 9.860 3.960 2.021 1.00 0.00 C ATOM 1352 O MET A 88 10.218 2.860 2.445 1.00 0.00 O ATOM 1353 CB MET A 88 10.110 5.586 3.905 1.00 0.00 C ATOM 1354 CG MET A 88 9.470 6.611 4.827 1.00 0.00 C ATOM 1355 SD MET A 88 9.229 8.209 4.028 1.00 0.00 S ATOM 1356 CE MET A 88 10.834 8.962 4.284 1.00 0.00 C ATOM 0 H MET A 88 8.300 3.969 4.588 1.00 0.00 H new ATOM 0 HA MET A 88 8.686 5.724 2.302 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.570 4.804 4.509 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.910 6.066 3.342 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.508 6.233 5.172 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.096 6.741 5.710 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.842 9.959 3.844 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.035 9.035 5.353 1.00 0.00 H new ATOM 0 HE3 MET A 88 11.602 8.350 3.811 1.00 0.00 H new ATOM 1366 N LEU A 89 10.080 4.359 0.773 1.00 0.00 N ATOM 1367 CA LEU A 89 10.771 3.511 -0.192 1.00 0.00 C ATOM 1368 C LEU A 89 12.274 3.507 0.065 1.00 0.00 C ATOM 1369 O LEU A 89 12.958 4.503 -0.172 1.00 0.00 O ATOM 1370 CB LEU A 89 10.486 3.989 -1.617 1.00 0.00 C ATOM 1371 CG LEU A 89 9.012 4.139 -1.992 1.00 0.00 C ATOM 1372 CD1 LEU A 89 8.873 4.764 -3.372 1.00 0.00 C ATOM 1373 CD2 LEU A 89 8.308 2.791 -1.943 1.00 0.00 C ATOM 0 H LEU A 89 9.790 5.265 0.405 1.00 0.00 H new ATOM 0 HA LEU A 89 10.399 2.493 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.977 4.952 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.948 3.289 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 89 8.539 4.800 -1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.817 4.863 -3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.340 5.749 -3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.362 4.129 -4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.260 2.918 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.783 2.107 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.376 2.381 -0.935 1.00 0.00 H new