USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 430 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 Single : A 8 THR OG1 : rot 180:sc= 0.0932 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 11:sc= 0.221 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0636 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 14 SER OG : rot 66:sc= 0.545 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -131:sc= -9.54! (180deg=-15.8!) USER MOD Single : A 21 LYS NZ :NH3+ -131:sc= -1.87 (180deg=-3.56!) USER MOD Single : A 22 SER OG : rot 180:sc=-0.00795 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -15:sc= 0.28 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 160:sc= 0.457 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.162 X(o=-0.16,f=0.24) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc=-0.00367 USER MOD Single : A 55 GLN : amide:sc= -0.372 K(o=-0.37,f=-4.3!) USER MOD Single : A 58 MET CE :methyl -170:sc= 0 (180deg=-0.0633) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.281) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 5 0.949 -31.793 5.854 1.00 0.00 N ATOM 61 CA ASP A 5 0.039 -31.489 6.993 1.00 0.00 C ATOM 62 C ASP A 5 -1.339 -31.073 6.472 1.00 0.00 C ATOM 63 O ASP A 5 -1.500 -30.732 5.318 1.00 0.00 O ATOM 64 CB ASP A 5 0.705 -30.329 7.735 1.00 0.00 C ATOM 65 CG ASP A 5 0.612 -30.568 9.244 1.00 0.00 C ATOM 66 OD1 ASP A 5 -0.294 -31.272 9.657 1.00 0.00 O ATOM 67 OD2 ASP A 5 1.448 -30.040 9.959 1.00 0.00 O ATOM 0 HA ASP A 5 -0.114 -32.352 7.641 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.749 -30.242 7.433 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.218 -29.389 7.474 1.00 0.00 H new ATOM 72 N CYS A 6 -2.333 -31.097 7.317 1.00 0.00 N ATOM 73 CA CYS A 6 -3.699 -30.702 6.873 1.00 0.00 C ATOM 74 C CYS A 6 -4.457 -30.048 8.029 1.00 0.00 C ATOM 75 O CYS A 6 -4.130 -30.235 9.183 1.00 0.00 O ATOM 76 CB CYS A 6 -4.374 -32.009 6.455 1.00 0.00 C ATOM 77 SG CYS A 6 -3.565 -32.657 4.973 1.00 0.00 S ATOM 0 H CYS A 6 -2.258 -31.373 8.296 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.678 -29.979 6.058 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.313 -32.737 7.264 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.433 -31.838 6.259 1.00 0.00 H new ATOM 82 N CYS A 7 -5.467 -29.276 7.729 1.00 0.00 N ATOM 83 CA CYS A 7 -6.235 -28.607 8.813 1.00 0.00 C ATOM 84 C CYS A 7 -7.724 -28.556 8.454 1.00 0.00 C ATOM 85 O CYS A 7 -8.092 -28.405 7.307 1.00 0.00 O ATOM 86 CB CYS A 7 -5.662 -27.194 8.873 1.00 0.00 C ATOM 87 SG CYS A 7 -4.809 -26.947 10.451 1.00 0.00 S ATOM 0 H CYS A 7 -5.791 -29.081 6.782 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.153 -29.132 9.765 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.970 -27.037 8.046 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.462 -26.462 8.763 1.00 0.00 H new ATOM 92 N THR A 8 -8.581 -28.675 9.431 1.00 0.00 N ATOM 93 CA THR A 8 -10.046 -28.626 9.151 1.00 0.00 C ATOM 94 C THR A 8 -10.593 -27.241 9.503 1.00 0.00 C ATOM 95 O THR A 8 -11.612 -26.815 8.998 1.00 0.00 O ATOM 96 CB THR A 8 -10.662 -29.694 10.057 1.00 0.00 C ATOM 97 OG1 THR A 8 -9.885 -29.814 11.241 1.00 0.00 O ATOM 98 CG2 THR A 8 -10.689 -31.036 9.323 1.00 0.00 C ATOM 0 H THR A 8 -8.331 -28.804 10.411 1.00 0.00 H new ATOM 0 HA THR A 8 -10.276 -28.807 8.101 1.00 0.00 H new ATOM 0 HB THR A 8 -11.680 -29.406 10.318 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.279 -30.497 11.823 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.128 -31.796 9.970 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.286 -30.943 8.416 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.672 -31.327 9.060 1.00 0.00 H new ATOM 106 N SER A 9 -9.914 -26.534 10.364 1.00 0.00 N ATOM 107 CA SER A 9 -10.378 -25.172 10.751 1.00 0.00 C ATOM 108 C SER A 9 -9.200 -24.197 10.696 1.00 0.00 C ATOM 109 O SER A 9 -8.122 -24.486 11.175 1.00 0.00 O ATOM 110 CB SER A 9 -10.893 -25.318 12.184 1.00 0.00 C ATOM 111 OG SER A 9 -12.045 -26.148 12.190 1.00 0.00 O ATOM 0 H SER A 9 -9.054 -26.843 10.818 1.00 0.00 H new ATOM 0 HA SER A 9 -11.150 -24.786 10.086 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.118 -25.748 12.818 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.135 -24.339 12.597 1.00 0.00 H new ATOM 0 HG SER A 9 -12.375 -26.243 13.108 1.00 0.00 H new ATOM 117 N TYR A 10 -9.392 -23.049 10.108 1.00 0.00 N ATOM 118 CA TYR A 10 -8.273 -22.071 10.017 1.00 0.00 C ATOM 119 C TYR A 10 -8.271 -21.142 11.233 1.00 0.00 C ATOM 120 O TYR A 10 -9.099 -21.249 12.115 1.00 0.00 O ATOM 121 CB TYR A 10 -8.541 -21.284 8.733 1.00 0.00 C ATOM 122 CG TYR A 10 -8.535 -22.232 7.556 1.00 0.00 C ATOM 123 CD1 TYR A 10 -7.563 -23.238 7.470 1.00 0.00 C ATOM 124 CD2 TYR A 10 -9.503 -22.108 6.551 1.00 0.00 C ATOM 125 CE1 TYR A 10 -7.560 -24.117 6.381 1.00 0.00 C ATOM 126 CE2 TYR A 10 -9.499 -22.989 5.463 1.00 0.00 C ATOM 127 CZ TYR A 10 -8.528 -23.993 5.378 1.00 0.00 C ATOM 128 OH TYR A 10 -8.526 -24.860 4.305 1.00 0.00 O ATOM 0 H TYR A 10 -10.271 -22.747 9.688 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.299 -22.560 10.000 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.502 -20.774 8.799 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.781 -20.515 8.599 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.816 -23.335 8.244 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.252 -21.333 6.616 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.810 -24.891 6.315 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.246 -22.894 4.689 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.900 -25.594 4.478 1.00 0.00 H new ATOM 138 N ILE A 11 -7.337 -20.233 11.287 1.00 0.00 N ATOM 139 CA ILE A 11 -7.267 -19.298 12.442 1.00 0.00 C ATOM 140 C ILE A 11 -8.620 -18.604 12.638 1.00 0.00 C ATOM 141 O ILE A 11 -9.580 -18.895 11.953 1.00 0.00 O ATOM 142 CB ILE A 11 -6.173 -18.284 12.080 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.696 -17.301 11.031 1.00 0.00 C ATOM 144 CG2 ILE A 11 -4.945 -19.012 11.525 1.00 0.00 C ATOM 145 CD1 ILE A 11 -6.986 -18.041 9.724 1.00 0.00 C ATOM 0 H ILE A 11 -6.617 -20.098 10.577 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.038 -19.810 13.376 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.893 -17.737 12.980 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.603 -16.817 11.394 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.961 -16.514 10.859 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.174 -18.284 11.271 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.560 -19.701 12.277 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.226 -19.570 10.632 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.358 -17.335 8.981 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.070 -18.504 9.357 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.737 -18.811 9.901 1.00 0.00 H new ATOM 157 N SER A 12 -8.708 -17.699 13.575 1.00 0.00 N ATOM 158 CA SER A 12 -10.008 -17.004 13.817 1.00 0.00 C ATOM 159 C SER A 12 -10.009 -15.615 13.176 1.00 0.00 C ATOM 160 O SER A 12 -11.027 -14.956 13.101 1.00 0.00 O ATOM 161 CB SER A 12 -10.127 -16.898 15.338 1.00 0.00 C ATOM 162 OG SER A 12 -8.872 -17.181 15.940 1.00 0.00 O ATOM 0 H SER A 12 -7.940 -17.411 14.182 1.00 0.00 H new ATOM 0 HA SER A 12 -10.846 -17.546 13.379 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.457 -15.897 15.617 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.881 -17.596 15.702 1.00 0.00 H new ATOM 0 HG SER A 12 -8.953 -17.110 16.914 1.00 0.00 H new ATOM 168 N GLN A 13 -8.880 -15.169 12.711 1.00 0.00 N ATOM 169 CA GLN A 13 -8.818 -13.823 12.070 1.00 0.00 C ATOM 170 C GLN A 13 -7.676 -13.773 11.052 1.00 0.00 C ATOM 171 O GLN A 13 -6.999 -14.753 10.816 1.00 0.00 O ATOM 172 CB GLN A 13 -8.558 -12.845 13.217 1.00 0.00 C ATOM 173 CG GLN A 13 -7.234 -13.197 13.900 1.00 0.00 C ATOM 174 CD GLN A 13 -7.147 -12.474 15.246 1.00 0.00 C ATOM 175 OE1 GLN A 13 -7.970 -12.682 16.115 1.00 0.00 O ATOM 176 NE2 GLN A 13 -6.176 -11.628 15.457 1.00 0.00 N ATOM 0 H GLN A 13 -7.995 -15.675 12.745 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.734 -13.582 11.531 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.523 -11.824 12.837 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.374 -12.889 13.938 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.164 -14.275 14.049 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.397 -12.908 13.265 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.485 -11.453 14.728 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.108 -11.142 16.351 1.00 0.00 H new ATOM 185 N SER A 14 -7.457 -12.639 10.445 1.00 0.00 N ATOM 186 CA SER A 14 -6.359 -12.530 9.441 1.00 0.00 C ATOM 187 C SER A 14 -5.103 -13.246 9.952 1.00 0.00 C ATOM 188 O SER A 14 -4.813 -13.244 11.131 1.00 0.00 O ATOM 189 CB SER A 14 -6.102 -11.029 9.303 1.00 0.00 C ATOM 190 OG SER A 14 -5.474 -10.770 8.055 1.00 0.00 O ATOM 0 H SER A 14 -7.990 -11.783 10.600 1.00 0.00 H new ATOM 0 HA SER A 14 -6.620 -12.990 8.488 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.041 -10.480 9.371 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.470 -10.681 10.120 1.00 0.00 H new ATOM 0 HG SER A 14 -6.096 -10.978 7.327 1.00 0.00 H new ATOM 196 N ILE A 15 -4.356 -13.857 9.072 1.00 0.00 N ATOM 197 CA ILE A 15 -3.122 -14.569 9.511 1.00 0.00 C ATOM 198 C ILE A 15 -2.042 -13.555 9.896 1.00 0.00 C ATOM 199 O ILE A 15 -1.867 -12.550 9.234 1.00 0.00 O ATOM 200 CB ILE A 15 -2.679 -15.387 8.295 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.598 -16.600 8.131 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.234 -15.862 8.488 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.403 -17.560 9.309 1.00 0.00 C ATOM 0 H ILE A 15 -4.547 -13.894 8.071 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.296 -15.200 10.383 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.737 -14.764 7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.638 -16.276 8.082 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.378 -17.111 7.193 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.923 -16.444 7.620 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.579 -14.998 8.599 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.171 -16.482 9.382 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.059 -18.422 9.188 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.366 -17.894 9.338 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.645 -17.047 10.240 1.00 0.00 H new ATOM 215 N PRO A 16 -1.350 -13.862 10.957 1.00 0.00 N ATOM 216 CA PRO A 16 -0.267 -12.976 11.445 1.00 0.00 C ATOM 217 C PRO A 16 0.981 -13.140 10.579 1.00 0.00 C ATOM 218 O PRO A 16 1.865 -13.912 10.888 1.00 0.00 O ATOM 219 CB PRO A 16 -0.005 -13.481 12.861 1.00 0.00 C ATOM 220 CG PRO A 16 -0.446 -14.911 12.852 1.00 0.00 C ATOM 221 CD PRO A 16 -1.515 -15.052 11.798 1.00 0.00 C ATOM 0 HA PRO A 16 -0.530 -11.919 11.413 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.050 -13.395 13.121 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.563 -12.901 13.596 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.395 -15.570 12.635 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.832 -15.199 13.830 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.387 -15.968 11.221 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.510 -15.091 12.242 1.00 0.00 H new ATOM 229 N CYS A 17 1.064 -12.413 9.500 1.00 0.00 N ATOM 230 CA CYS A 17 2.267 -12.526 8.628 1.00 0.00 C ATOM 231 C CYS A 17 3.509 -12.141 9.436 1.00 0.00 C ATOM 232 O CYS A 17 4.587 -12.677 9.250 1.00 0.00 O ATOM 233 CB CYS A 17 2.055 -11.519 7.491 1.00 0.00 C ATOM 234 SG CYS A 17 0.388 -11.674 6.795 1.00 0.00 S ATOM 0 H CYS A 17 0.356 -11.749 9.185 1.00 0.00 H new ATOM 0 HA CYS A 17 2.405 -13.538 8.246 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.205 -10.506 7.864 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.797 -11.684 6.710 1.00 0.00 H new ATOM 239 N SER A 18 3.352 -11.211 10.346 1.00 0.00 N ATOM 240 CA SER A 18 4.507 -10.763 11.185 1.00 0.00 C ATOM 241 C SER A 18 4.926 -11.841 12.194 1.00 0.00 C ATOM 242 O SER A 18 5.716 -11.589 13.082 1.00 0.00 O ATOM 243 CB SER A 18 3.998 -9.523 11.920 1.00 0.00 C ATOM 244 OG SER A 18 4.636 -8.368 11.395 1.00 0.00 O ATOM 0 H SER A 18 2.469 -10.741 10.545 1.00 0.00 H new ATOM 0 HA SER A 18 5.387 -10.561 10.574 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.917 -9.438 11.807 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.201 -9.611 12.987 1.00 0.00 H new ATOM 0 HG SER A 18 4.309 -7.572 11.864 1.00 0.00 H new ATOM 250 N LEU A 19 4.413 -13.032 12.073 1.00 0.00 N ATOM 251 CA LEU A 19 4.792 -14.102 13.030 1.00 0.00 C ATOM 252 C LEU A 19 5.037 -15.408 12.276 1.00 0.00 C ATOM 253 O LEU A 19 4.866 -16.486 12.811 1.00 0.00 O ATOM 254 CB LEU A 19 3.589 -14.239 13.961 1.00 0.00 C ATOM 255 CG LEU A 19 4.041 -14.072 15.411 1.00 0.00 C ATOM 256 CD1 LEU A 19 3.110 -13.090 16.124 1.00 0.00 C ATOM 257 CD2 LEU A 19 3.995 -15.428 16.117 1.00 0.00 C ATOM 0 H LEU A 19 3.747 -13.309 11.352 1.00 0.00 H new ATOM 0 HA LEU A 19 5.706 -13.870 13.577 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.838 -13.488 13.715 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.121 -15.214 13.825 1.00 0.00 H new ATOM 0 HG LEU A 19 5.060 -13.686 15.434 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.431 -12.970 17.159 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.144 -12.125 15.619 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.090 -13.475 16.103 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.317 -15.311 17.152 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.976 -15.815 16.096 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.659 -16.126 15.607 1.00 0.00 H new ATOM 269 N MET A 20 5.437 -15.326 11.033 1.00 0.00 N ATOM 270 CA MET A 20 5.687 -16.577 10.258 1.00 0.00 C ATOM 271 C MET A 20 6.929 -16.418 9.377 1.00 0.00 C ATOM 272 O MET A 20 7.141 -15.393 8.760 1.00 0.00 O ATOM 273 CB MET A 20 4.446 -16.781 9.377 1.00 0.00 C ATOM 274 CG MET A 20 3.170 -16.402 10.138 1.00 0.00 C ATOM 275 SD MET A 20 2.747 -17.715 11.309 1.00 0.00 S ATOM 276 CE MET A 20 0.949 -17.621 11.118 1.00 0.00 C ATOM 0 H MET A 20 5.600 -14.456 10.526 1.00 0.00 H new ATOM 0 HA MET A 20 5.860 -17.426 10.919 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.531 -16.174 8.475 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.389 -17.821 9.057 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.317 -15.461 10.669 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.349 -16.248 9.437 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.480 -17.578 12.101 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.689 -16.726 10.553 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.593 -18.503 10.585 1.00 0.00 H new ATOM 286 N LYS A 21 7.750 -17.431 9.313 1.00 0.00 N ATOM 287 CA LYS A 21 8.976 -17.346 8.473 1.00 0.00 C ATOM 288 C LYS A 21 8.701 -17.899 7.069 1.00 0.00 C ATOM 289 O LYS A 21 9.387 -17.571 6.121 1.00 0.00 O ATOM 290 CB LYS A 21 10.011 -18.209 9.195 1.00 0.00 C ATOM 291 CG LYS A 21 9.542 -19.665 9.207 1.00 0.00 C ATOM 292 CD LYS A 21 10.740 -20.587 9.437 1.00 0.00 C ATOM 293 CE LYS A 21 10.287 -22.045 9.340 1.00 0.00 C ATOM 294 NZ LYS A 21 9.729 -22.361 10.686 1.00 0.00 N ATOM 0 H LYS A 21 7.623 -18.314 9.807 1.00 0.00 H new ATOM 0 HA LYS A 21 9.317 -16.318 8.346 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.977 -18.131 8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.150 -17.852 10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.801 -19.812 9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.058 -19.910 8.262 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.515 -20.386 8.697 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.177 -20.395 10.417 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.537 -22.175 8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.120 -22.703 9.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.135 -23.255 11.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.968 -21.596 11.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.695 -22.452 10.620 1.00 0.00 H new ATOM 308 N SER A 22 7.705 -18.737 6.924 1.00 0.00 N ATOM 309 CA SER A 22 7.405 -19.301 5.575 1.00 0.00 C ATOM 310 C SER A 22 5.962 -19.813 5.518 1.00 0.00 C ATOM 311 O SER A 22 5.230 -19.747 6.483 1.00 0.00 O ATOM 312 CB SER A 22 8.392 -20.455 5.404 1.00 0.00 C ATOM 313 OG SER A 22 8.402 -20.873 4.046 1.00 0.00 O ATOM 0 H SER A 22 7.092 -19.052 7.676 1.00 0.00 H new ATOM 0 HA SER A 22 7.504 -18.556 4.785 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.391 -20.141 5.706 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.111 -21.287 6.050 1.00 0.00 H new ATOM 0 HG SER A 22 9.036 -21.612 3.936 1.00 0.00 H new ATOM 319 N TYR A 23 5.552 -20.323 4.388 1.00 0.00 N ATOM 320 CA TYR A 23 4.159 -20.845 4.257 1.00 0.00 C ATOM 321 C TYR A 23 4.130 -21.986 3.235 1.00 0.00 C ATOM 322 O TYR A 23 4.910 -22.008 2.305 1.00 0.00 O ATOM 323 CB TYR A 23 3.331 -19.654 3.765 1.00 0.00 C ATOM 324 CG TYR A 23 3.686 -19.340 2.330 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.242 -20.175 1.298 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.457 -18.209 2.031 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.570 -19.882 -0.031 1.00 0.00 C ATOM 328 CE2 TYR A 23 4.784 -17.915 0.703 1.00 0.00 C ATOM 329 CZ TYR A 23 4.341 -18.751 -0.328 1.00 0.00 C ATOM 330 OH TYR A 23 4.666 -18.461 -1.637 1.00 0.00 O ATOM 0 H TYR A 23 6.123 -20.401 3.546 1.00 0.00 H new ATOM 0 HA TYR A 23 3.770 -21.243 5.194 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.268 -19.881 3.845 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.519 -18.784 4.394 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.646 -21.046 1.527 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.799 -17.564 2.826 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.229 -20.528 -0.827 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.378 -17.043 0.474 1.00 0.00 H new ATOM 0 HH TYR A 23 5.204 -17.642 -1.667 1.00 0.00 H new ATOM 340 N PHE A 24 3.241 -22.933 3.387 1.00 0.00 N ATOM 341 CA PHE A 24 3.193 -24.050 2.401 1.00 0.00 C ATOM 342 C PHE A 24 1.769 -24.590 2.272 1.00 0.00 C ATOM 343 O PHE A 24 0.986 -24.538 3.198 1.00 0.00 O ATOM 344 CB PHE A 24 4.131 -25.125 2.959 1.00 0.00 C ATOM 345 CG PHE A 24 3.465 -25.846 4.108 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.601 -26.921 3.858 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.715 -25.442 5.425 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.990 -27.590 4.924 1.00 0.00 C ATOM 349 CE2 PHE A 24 3.103 -26.111 6.491 1.00 0.00 C ATOM 350 CZ PHE A 24 2.241 -27.185 6.241 1.00 0.00 C ATOM 0 H PHE A 24 2.555 -22.981 4.141 1.00 0.00 H new ATOM 0 HA PHE A 24 3.497 -23.727 1.405 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.391 -25.836 2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.062 -24.668 3.296 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.407 -27.233 2.842 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.380 -24.614 5.618 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.325 -28.419 4.731 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.296 -25.799 7.507 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.769 -27.702 7.064 1.00 0.00 H new ATOM 360 N GLU A 25 1.431 -25.116 1.129 1.00 0.00 N ATOM 361 CA GLU A 25 0.062 -25.672 0.943 1.00 0.00 C ATOM 362 C GLU A 25 0.063 -27.157 1.310 1.00 0.00 C ATOM 363 O GLU A 25 1.036 -27.854 1.103 1.00 0.00 O ATOM 364 CB GLU A 25 -0.246 -25.482 -0.542 1.00 0.00 C ATOM 365 CG GLU A 25 -0.003 -24.022 -0.928 1.00 0.00 C ATOM 366 CD GLU A 25 -0.850 -23.672 -2.153 1.00 0.00 C ATOM 367 OE1 GLU A 25 -1.792 -24.398 -2.424 1.00 0.00 O ATOM 368 OE2 GLU A 25 -0.543 -22.683 -2.799 1.00 0.00 O ATOM 0 H GLU A 25 2.043 -25.185 0.316 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.682 -25.182 1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.384 -26.138 -1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.280 -25.757 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.260 -23.367 -0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.053 -23.863 -1.145 1.00 0.00 H new ATOM 375 N THR A 26 -1.011 -27.649 1.860 1.00 0.00 N ATOM 376 CA THR A 26 -1.050 -29.088 2.241 1.00 0.00 C ATOM 377 C THR A 26 -1.044 -29.962 0.984 1.00 0.00 C ATOM 378 O THR A 26 -1.030 -29.468 -0.126 1.00 0.00 O ATOM 379 CB THR A 26 -2.360 -29.267 3.013 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.458 -29.016 2.145 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.405 -28.288 4.187 1.00 0.00 C ATOM 0 H THR A 26 -1.860 -27.120 2.062 1.00 0.00 H new ATOM 0 HA THR A 26 -0.187 -29.379 2.840 1.00 0.00 H new ATOM 0 HB THR A 26 -2.419 -30.287 3.392 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.297 -29.132 2.637 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.339 -28.418 4.734 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.564 -28.480 4.853 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.344 -27.267 3.811 1.00 0.00 H new ATOM 389 N SER A 27 -1.057 -31.255 1.149 1.00 0.00 N ATOM 390 CA SER A 27 -1.052 -32.158 -0.037 1.00 0.00 C ATOM 391 C SER A 27 -2.471 -32.297 -0.594 1.00 0.00 C ATOM 392 O SER A 27 -3.437 -32.321 0.143 1.00 0.00 O ATOM 393 CB SER A 27 -0.550 -33.502 0.492 1.00 0.00 C ATOM 394 OG SER A 27 0.729 -33.329 1.085 1.00 0.00 O ATOM 0 H SER A 27 -1.071 -31.726 2.053 1.00 0.00 H new ATOM 0 HA SER A 27 -0.426 -31.780 -0.845 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.251 -33.902 1.224 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.491 -34.226 -0.321 1.00 0.00 H new ATOM 0 HG SER A 27 1.051 -34.190 1.426 1.00 0.00 H new ATOM 400 N SER A 28 -2.607 -32.390 -1.889 1.00 0.00 N ATOM 401 CA SER A 28 -3.967 -32.528 -2.485 1.00 0.00 C ATOM 402 C SER A 28 -4.572 -33.882 -2.111 1.00 0.00 C ATOM 403 O SER A 28 -5.725 -34.156 -2.380 1.00 0.00 O ATOM 404 CB SER A 28 -3.752 -32.432 -3.996 1.00 0.00 C ATOM 405 OG SER A 28 -4.961 -32.757 -4.668 1.00 0.00 O ATOM 0 H SER A 28 -1.838 -32.376 -2.559 1.00 0.00 H new ATOM 0 HA SER A 28 -4.655 -31.763 -2.125 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.433 -31.425 -4.265 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.958 -33.111 -4.305 1.00 0.00 H new ATOM 0 HG SER A 28 -5.576 -33.194 -4.042 1.00 0.00 H new ATOM 411 N GLU A 29 -3.801 -34.729 -1.491 1.00 0.00 N ATOM 412 CA GLU A 29 -4.326 -36.067 -1.095 1.00 0.00 C ATOM 413 C GLU A 29 -5.288 -35.929 0.087 1.00 0.00 C ATOM 414 O GLU A 29 -6.128 -36.778 0.318 1.00 0.00 O ATOM 415 CB GLU A 29 -3.091 -36.871 -0.691 1.00 0.00 C ATOM 416 CG GLU A 29 -3.305 -38.344 -1.045 1.00 0.00 C ATOM 417 CD GLU A 29 -2.141 -38.835 -1.908 1.00 0.00 C ATOM 418 OE1 GLU A 29 -1.011 -38.730 -1.460 1.00 0.00 O ATOM 419 OE2 GLU A 29 -2.399 -39.309 -3.002 1.00 0.00 O ATOM 0 H GLU A 29 -2.828 -34.554 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.881 -36.549 -1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.209 -36.487 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.909 -36.765 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.375 -38.941 -0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.246 -38.467 -1.581 1.00 0.00 H new ATOM 426 N CYS A 30 -5.172 -34.869 0.839 1.00 0.00 N ATOM 427 CA CYS A 30 -6.079 -34.683 2.007 1.00 0.00 C ATOM 428 C CYS A 30 -7.493 -34.337 1.532 1.00 0.00 C ATOM 429 O CYS A 30 -7.679 -33.697 0.516 1.00 0.00 O ATOM 430 CB CYS A 30 -5.478 -33.519 2.795 1.00 0.00 C ATOM 431 SG CYS A 30 -4.786 -34.138 4.349 1.00 0.00 S ATOM 0 H CYS A 30 -4.490 -34.125 0.696 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.161 -35.586 2.612 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.701 -33.030 2.207 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.243 -32.769 2.998 1.00 0.00 H new ATOM 436 N SER A 31 -8.492 -34.760 2.261 1.00 0.00 N ATOM 437 CA SER A 31 -9.896 -34.462 1.855 1.00 0.00 C ATOM 438 C SER A 31 -10.157 -32.953 1.855 1.00 0.00 C ATOM 439 O SER A 31 -11.187 -32.492 1.405 1.00 0.00 O ATOM 440 CB SER A 31 -10.766 -35.155 2.903 1.00 0.00 C ATOM 441 OG SER A 31 -11.885 -35.756 2.268 1.00 0.00 O ATOM 0 H SER A 31 -8.396 -35.300 3.121 1.00 0.00 H new ATOM 0 HA SER A 31 -10.109 -34.812 0.845 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.185 -35.911 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.101 -34.433 3.648 1.00 0.00 H new ATOM 0 HG SER A 31 -12.442 -36.202 2.940 1.00 0.00 H new ATOM 447 N LYS A 32 -9.237 -32.183 2.359 1.00 0.00 N ATOM 448 CA LYS A 32 -9.439 -30.706 2.388 1.00 0.00 C ATOM 449 C LYS A 32 -8.091 -29.982 2.297 1.00 0.00 C ATOM 450 O LYS A 32 -7.179 -30.275 3.044 1.00 0.00 O ATOM 451 CB LYS A 32 -10.104 -30.426 3.736 1.00 0.00 C ATOM 452 CG LYS A 32 -11.461 -29.757 3.509 1.00 0.00 C ATOM 453 CD LYS A 32 -11.498 -28.417 4.247 1.00 0.00 C ATOM 454 CE LYS A 32 -11.846 -27.300 3.261 1.00 0.00 C ATOM 455 NZ LYS A 32 -13.327 -27.370 3.110 1.00 0.00 N ATOM 0 H LYS A 32 -8.354 -32.509 2.752 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.044 -30.357 1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.234 -31.356 4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.466 -29.782 4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.629 -29.602 2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.262 -30.404 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.236 -28.452 5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.532 -28.219 4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.533 -26.327 3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.344 -27.446 2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.644 -26.633 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.595 -28.305 2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.778 -27.220 4.035 1.00 0.00 H new ATOM 469 N PRO A 33 -8.016 -29.053 1.382 1.00 0.00 N ATOM 470 CA PRO A 33 -6.770 -28.271 1.191 1.00 0.00 C ATOM 471 C PRO A 33 -6.580 -27.284 2.344 1.00 0.00 C ATOM 472 O PRO A 33 -7.323 -27.289 3.306 1.00 0.00 O ATOM 473 CB PRO A 33 -7.010 -27.528 -0.119 1.00 0.00 C ATOM 474 CG PRO A 33 -8.499 -27.436 -0.242 1.00 0.00 C ATOM 475 CD PRO A 33 -9.073 -28.646 0.447 1.00 0.00 C ATOM 0 HA PRO A 33 -5.874 -28.892 1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.553 -26.539 -0.102 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.576 -28.065 -0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.868 -26.519 0.218 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.799 -27.410 -1.290 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.999 -28.407 0.970 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.305 -29.439 -0.264 1.00 0.00 H new ATOM 483 N GLY A 34 -5.595 -26.435 2.254 1.00 0.00 N ATOM 484 CA GLY A 34 -5.364 -25.448 3.343 1.00 0.00 C ATOM 485 C GLY A 34 -3.903 -25.002 3.322 1.00 0.00 C ATOM 486 O GLY A 34 -3.008 -25.789 3.095 1.00 0.00 O ATOM 0 H GLY A 34 -4.940 -26.382 1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.020 -24.587 3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.606 -25.892 4.309 1.00 0.00 H new ATOM 490 N VAL A 35 -3.650 -23.746 3.563 1.00 0.00 N ATOM 491 CA VAL A 35 -2.243 -23.255 3.561 1.00 0.00 C ATOM 492 C VAL A 35 -1.760 -23.098 5.001 1.00 0.00 C ATOM 493 O VAL A 35 -2.279 -22.298 5.749 1.00 0.00 O ATOM 494 CB VAL A 35 -2.297 -21.896 2.861 1.00 0.00 C ATOM 495 CG1 VAL A 35 -1.028 -21.101 3.184 1.00 0.00 C ATOM 496 CG2 VAL A 35 -2.398 -22.104 1.349 1.00 0.00 C ATOM 0 H VAL A 35 -4.357 -23.038 3.761 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.558 -23.938 3.058 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.169 -21.343 3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.068 -20.133 2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.957 -20.951 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.155 -21.653 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.437 -21.136 0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.527 -22.658 0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.303 -22.667 1.119 1.00 0.00 H new ATOM 506 N ILE A 36 -0.775 -23.848 5.406 1.00 0.00 N ATOM 507 CA ILE A 36 -0.297 -23.714 6.807 1.00 0.00 C ATOM 508 C ILE A 36 0.972 -22.869 6.850 1.00 0.00 C ATOM 509 O ILE A 36 1.896 -23.074 6.091 1.00 0.00 O ATOM 510 CB ILE A 36 -0.036 -25.147 7.289 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.360 -25.748 7.780 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.993 -25.135 8.431 1.00 0.00 C ATOM 513 CD1 ILE A 36 -1.093 -26.914 8.739 1.00 0.00 C ATOM 0 H ILE A 36 -0.286 -24.539 4.836 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.023 -23.213 7.447 1.00 0.00 H new ATOM 0 HB ILE A 36 0.361 -25.748 6.471 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.950 -24.982 8.283 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.947 -26.095 6.930 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.174 -26.156 8.769 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.927 -24.700 8.075 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.609 -24.541 9.260 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.041 -27.330 9.079 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.522 -27.686 8.223 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.525 -26.556 9.598 1.00 0.00 H new ATOM 525 N PHE A 37 1.023 -21.922 7.739 1.00 0.00 N ATOM 526 CA PHE A 37 2.237 -21.064 7.831 1.00 0.00 C ATOM 527 C PHE A 37 3.193 -21.621 8.887 1.00 0.00 C ATOM 528 O PHE A 37 2.791 -21.994 9.970 1.00 0.00 O ATOM 529 CB PHE A 37 1.727 -19.684 8.249 1.00 0.00 C ATOM 530 CG PHE A 37 0.904 -19.076 7.136 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.422 -19.482 6.943 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.461 -18.095 6.304 1.00 0.00 C ATOM 533 CE1 PHE A 37 -1.189 -18.911 5.922 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.696 -17.527 5.280 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.631 -17.933 5.089 1.00 0.00 C ATOM 0 H PHE A 37 0.281 -21.703 8.404 1.00 0.00 H new ATOM 0 HA PHE A 37 2.784 -21.024 6.889 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.124 -19.769 9.153 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.568 -19.033 8.487 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.853 -20.237 7.583 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.482 -17.777 6.454 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.212 -19.224 5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.129 -16.775 4.636 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.223 -17.492 4.300 1.00 0.00 H new ATOM 545 N LEU A 38 4.460 -21.666 8.589 1.00 0.00 N ATOM 546 CA LEU A 38 5.435 -22.182 9.586 1.00 0.00 C ATOM 547 C LEU A 38 6.106 -20.998 10.276 1.00 0.00 C ATOM 548 O LEU A 38 6.700 -20.154 9.637 1.00 0.00 O ATOM 549 CB LEU A 38 6.452 -22.986 8.773 1.00 0.00 C ATOM 550 CG LEU A 38 6.455 -24.439 9.254 1.00 0.00 C ATOM 551 CD1 LEU A 38 7.038 -25.339 8.162 1.00 0.00 C ATOM 552 CD2 LEU A 38 7.308 -24.554 10.519 1.00 0.00 C ATOM 0 H LEU A 38 4.862 -21.368 7.700 1.00 0.00 H new ATOM 0 HA LEU A 38 4.973 -22.797 10.358 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.202 -22.943 7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.446 -22.553 8.884 1.00 0.00 H new ATOM 0 HG LEU A 38 5.434 -24.751 9.473 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.040 -26.373 8.506 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.431 -25.257 7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.059 -25.028 7.941 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.311 -25.588 10.863 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.329 -24.242 10.299 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.892 -23.914 11.297 1.00 0.00 H new ATOM 564 N THR A 39 6.003 -20.914 11.573 1.00 0.00 N ATOM 565 CA THR A 39 6.625 -19.763 12.284 1.00 0.00 C ATOM 566 C THR A 39 8.056 -20.101 12.684 1.00 0.00 C ATOM 567 O THR A 39 8.449 -21.248 12.726 1.00 0.00 O ATOM 568 CB THR A 39 5.760 -19.530 13.528 1.00 0.00 C ATOM 569 OG1 THR A 39 6.138 -20.450 14.542 1.00 0.00 O ATOM 570 CG2 THR A 39 4.282 -19.728 13.184 1.00 0.00 C ATOM 0 H THR A 39 5.519 -21.587 12.167 1.00 0.00 H new ATOM 0 HA THR A 39 6.670 -18.874 11.655 1.00 0.00 H new ATOM 0 HB THR A 39 5.909 -18.510 13.882 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.839 -20.117 15.414 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.676 -19.560 14.074 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.991 -19.020 12.408 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.125 -20.745 12.824 1.00 0.00 H new ATOM 578 N LYS A 40 8.840 -19.102 12.973 1.00 0.00 N ATOM 579 CA LYS A 40 10.255 -19.358 13.371 1.00 0.00 C ATOM 580 C LYS A 40 10.303 -20.142 14.689 1.00 0.00 C ATOM 581 O LYS A 40 11.235 -20.876 14.950 1.00 0.00 O ATOM 582 CB LYS A 40 10.875 -17.972 13.547 1.00 0.00 C ATOM 583 CG LYS A 40 12.391 -18.106 13.710 1.00 0.00 C ATOM 584 CD LYS A 40 12.933 -16.882 14.449 1.00 0.00 C ATOM 585 CE LYS A 40 14.462 -16.929 14.465 1.00 0.00 C ATOM 586 NZ LYS A 40 14.808 -17.640 15.728 1.00 0.00 N ATOM 0 H LYS A 40 8.565 -18.120 12.952 1.00 0.00 H new ATOM 0 HA LYS A 40 10.790 -19.952 12.630 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.645 -17.347 12.684 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.447 -17.479 14.420 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.629 -19.014 14.264 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.866 -18.195 12.733 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.592 -15.969 13.961 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.549 -16.861 15.469 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.851 -17.457 13.594 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.889 -15.926 14.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.842 -17.713 15.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.430 -17.110 16.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.393 -18.594 15.714 1.00 0.00 H new ATOM 600 N LYS A 41 9.306 -19.992 15.520 1.00 0.00 N ATOM 601 CA LYS A 41 9.299 -20.730 16.818 1.00 0.00 C ATOM 602 C LYS A 41 9.068 -22.225 16.579 1.00 0.00 C ATOM 603 O LYS A 41 9.207 -23.038 17.472 1.00 0.00 O ATOM 604 CB LYS A 41 8.140 -20.126 17.614 1.00 0.00 C ATOM 605 CG LYS A 41 8.687 -19.423 18.858 1.00 0.00 C ATOM 606 CD LYS A 41 7.522 -18.918 19.712 1.00 0.00 C ATOM 607 CE LYS A 41 7.225 -19.930 20.820 1.00 0.00 C ATOM 608 NZ LYS A 41 5.916 -19.498 21.390 1.00 0.00 N ATOM 0 H LYS A 41 8.498 -19.392 15.357 1.00 0.00 H new ATOM 0 HA LYS A 41 10.247 -20.639 17.348 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.590 -19.417 16.995 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.438 -20.908 17.904 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.304 -20.111 19.436 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.326 -18.590 18.566 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.769 -17.949 20.146 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.638 -18.773 19.091 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.169 -20.944 20.425 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.007 -19.927 21.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.642 -20.143 22.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.002 -18.531 21.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.190 -19.518 20.646 1.00 0.00 H new ATOM 622 N GLY A 42 8.720 -22.587 15.380 1.00 0.00 N ATOM 623 CA GLY A 42 8.481 -24.025 15.068 1.00 0.00 C ATOM 624 C GLY A 42 6.982 -24.331 15.149 1.00 0.00 C ATOM 625 O GLY A 42 6.574 -25.475 15.177 1.00 0.00 O ATOM 0 H GLY A 42 8.589 -21.947 14.596 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.856 -24.258 14.071 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.029 -24.655 15.769 1.00 0.00 H new ATOM 629 N ARG A 43 6.156 -23.320 15.184 1.00 0.00 N ATOM 630 CA ARG A 43 4.686 -23.560 15.260 1.00 0.00 C ATOM 631 C ARG A 43 4.082 -23.606 13.854 1.00 0.00 C ATOM 632 O ARG A 43 4.775 -23.469 12.866 1.00 0.00 O ATOM 633 CB ARG A 43 4.129 -22.372 16.045 1.00 0.00 C ATOM 634 CG ARG A 43 3.143 -22.877 17.101 1.00 0.00 C ATOM 635 CD ARG A 43 3.912 -23.534 18.248 1.00 0.00 C ATOM 636 NE ARG A 43 3.487 -22.793 19.469 1.00 0.00 N ATOM 637 CZ ARG A 43 2.537 -23.272 20.225 1.00 0.00 C ATOM 638 NH1 ARG A 43 1.420 -23.682 19.688 1.00 0.00 N ATOM 639 NH2 ARG A 43 2.704 -23.341 21.518 1.00 0.00 N ATOM 0 H ARG A 43 6.435 -22.339 15.163 1.00 0.00 H new ATOM 0 HA ARG A 43 4.448 -24.511 15.737 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.942 -21.825 16.523 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.631 -21.677 15.369 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.544 -22.049 17.479 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.452 -23.593 16.655 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.674 -24.595 18.327 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.989 -23.460 18.095 1.00 0.00 H new ATOM 0 HE ARG A 43 3.938 -21.912 19.714 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.290 -23.628 18.678 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.677 -24.056 20.279 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.577 -23.021 21.937 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.962 -23.715 22.109 1.00 0.00 H new ATOM 653 N GLN A 44 2.792 -23.795 13.757 1.00 0.00 N ATOM 654 CA GLN A 44 2.144 -23.844 12.413 1.00 0.00 C ATOM 655 C GLN A 44 0.719 -23.289 12.486 1.00 0.00 C ATOM 656 O GLN A 44 0.000 -23.517 13.439 1.00 0.00 O ATOM 657 CB GLN A 44 2.116 -25.325 12.033 1.00 0.00 C ATOM 658 CG GLN A 44 3.512 -25.929 12.199 1.00 0.00 C ATOM 659 CD GLN A 44 3.588 -27.242 11.416 1.00 0.00 C ATOM 660 OE1 GLN A 44 2.842 -28.164 11.679 1.00 0.00 O ATOM 661 NE2 GLN A 44 4.464 -27.365 10.459 1.00 0.00 N ATOM 0 H GLN A 44 2.160 -23.917 14.548 1.00 0.00 H new ATOM 0 HA GLN A 44 2.683 -23.244 11.680 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.402 -25.858 12.661 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.781 -25.439 11.002 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.268 -25.232 11.838 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.721 -26.108 13.254 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.090 -26.591 10.238 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.523 -28.235 9.931 1.00 0.00 H new ATOM 670 N VAL A 45 0.302 -22.572 11.480 1.00 0.00 N ATOM 671 CA VAL A 45 -1.079 -22.011 11.479 1.00 0.00 C ATOM 672 C VAL A 45 -1.855 -22.577 10.287 1.00 0.00 C ATOM 673 O VAL A 45 -1.292 -23.249 9.446 1.00 0.00 O ATOM 674 CB VAL A 45 -0.895 -20.500 11.343 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.256 -19.837 11.124 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.259 -19.947 12.622 1.00 0.00 C ATOM 0 H VAL A 45 0.860 -22.349 10.655 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.640 -22.263 12.379 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.247 -20.288 10.492 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.124 -18.759 11.027 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.710 -20.230 10.215 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.905 -20.048 11.974 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.127 -18.869 12.526 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.908 -20.159 13.472 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.711 -20.419 12.779 1.00 0.00 H new ATOM 686 N CYS A 46 -3.135 -22.318 10.202 1.00 0.00 N ATOM 687 CA CYS A 46 -3.925 -22.862 9.054 1.00 0.00 C ATOM 688 C CYS A 46 -4.881 -21.797 8.513 1.00 0.00 C ATOM 689 O CYS A 46 -5.780 -21.359 9.194 1.00 0.00 O ATOM 690 CB CYS A 46 -4.722 -24.031 9.641 1.00 0.00 C ATOM 691 SG CYS A 46 -3.594 -25.364 10.118 1.00 0.00 S ATOM 0 H CYS A 46 -3.664 -21.759 10.871 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.285 -23.170 8.227 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.291 -23.696 10.508 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.442 -24.396 8.909 1.00 0.00 H new ATOM 696 N ALA A 47 -4.697 -21.379 7.291 1.00 0.00 N ATOM 697 CA ALA A 47 -5.602 -20.340 6.717 1.00 0.00 C ATOM 698 C ALA A 47 -6.187 -20.814 5.385 1.00 0.00 C ATOM 699 O ALA A 47 -5.669 -21.710 4.749 1.00 0.00 O ATOM 700 CB ALA A 47 -4.713 -19.116 6.502 1.00 0.00 C ATOM 0 H ALA A 47 -3.962 -21.710 6.666 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.446 -20.126 7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.307 -18.305 6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.292 -18.800 7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.905 -19.369 5.815 1.00 0.00 H new ATOM 706 N LYS A 48 -7.263 -20.211 4.957 1.00 0.00 N ATOM 707 CA LYS A 48 -7.883 -20.616 3.663 1.00 0.00 C ATOM 708 C LYS A 48 -6.890 -20.403 2.518 1.00 0.00 C ATOM 709 O LYS A 48 -5.798 -19.914 2.726 1.00 0.00 O ATOM 710 CB LYS A 48 -9.094 -19.697 3.502 1.00 0.00 C ATOM 711 CG LYS A 48 -10.380 -20.521 3.613 1.00 0.00 C ATOM 712 CD LYS A 48 -11.509 -19.802 2.870 1.00 0.00 C ATOM 713 CE LYS A 48 -12.833 -20.039 3.598 1.00 0.00 C ATOM 714 NZ LYS A 48 -13.191 -18.715 4.183 1.00 0.00 N ATOM 0 H LYS A 48 -7.740 -19.455 5.448 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.166 -21.668 3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.079 -18.921 4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.055 -19.193 2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.226 -21.514 3.191 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.648 -20.658 4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.299 -18.734 2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.575 -20.168 1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.604 -20.389 2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.727 -20.798 4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.090 -18.795 4.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.442 -18.410 4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.291 -18.014 3.421 1.00 0.00 H new ATOM 728 N PRO A 49 -7.307 -20.778 1.340 1.00 0.00 N ATOM 729 CA PRO A 49 -6.446 -20.624 0.143 1.00 0.00 C ATOM 730 C PRO A 49 -6.355 -19.150 -0.262 1.00 0.00 C ATOM 731 O PRO A 49 -5.340 -18.690 -0.745 1.00 0.00 O ATOM 732 CB PRO A 49 -7.168 -21.437 -0.926 1.00 0.00 C ATOM 733 CG PRO A 49 -8.600 -21.461 -0.491 1.00 0.00 C ATOM 734 CD PRO A 49 -8.607 -21.375 1.014 1.00 0.00 C ATOM 0 HA PRO A 49 -5.422 -20.959 0.306 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.062 -20.979 -1.909 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.760 -22.445 -0.998 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.149 -20.627 -0.927 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.089 -22.375 -0.827 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.431 -20.760 1.375 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.720 -22.359 1.470 1.00 0.00 H new ATOM 742 N SER A 50 -7.410 -18.407 -0.066 1.00 0.00 N ATOM 743 CA SER A 50 -7.386 -16.963 -0.440 1.00 0.00 C ATOM 744 C SER A 50 -8.017 -16.117 0.670 1.00 0.00 C ATOM 745 O SER A 50 -8.747 -15.181 0.410 1.00 0.00 O ATOM 746 CB SER A 50 -8.215 -16.874 -1.721 1.00 0.00 C ATOM 747 OG SER A 50 -7.889 -17.963 -2.573 1.00 0.00 O ATOM 0 H SER A 50 -8.287 -18.737 0.337 1.00 0.00 H new ATOM 0 HA SER A 50 -6.372 -16.590 -0.583 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.278 -16.892 -1.481 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.019 -15.930 -2.229 1.00 0.00 H new ATOM 0 HG SER A 50 -8.422 -17.907 -3.394 1.00 0.00 H new ATOM 753 N GLY A 51 -7.742 -16.440 1.903 1.00 0.00 N ATOM 754 CA GLY A 51 -8.326 -15.654 3.027 1.00 0.00 C ATOM 755 C GLY A 51 -7.794 -14.221 2.973 1.00 0.00 C ATOM 756 O GLY A 51 -6.755 -13.965 2.396 1.00 0.00 O ATOM 0 H GLY A 51 -7.139 -17.214 2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.414 -15.653 2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.067 -16.114 3.981 1.00 0.00 H new ATOM 760 N PRO A 52 -8.530 -13.330 3.580 1.00 0.00 N ATOM 761 CA PRO A 52 -8.133 -11.901 3.604 1.00 0.00 C ATOM 762 C PRO A 52 -6.902 -11.704 4.492 1.00 0.00 C ATOM 763 O PRO A 52 -7.006 -11.558 5.693 1.00 0.00 O ATOM 764 CB PRO A 52 -9.354 -11.199 4.193 1.00 0.00 C ATOM 765 CG PRO A 52 -10.053 -12.254 4.990 1.00 0.00 C ATOM 766 CD PRO A 52 -9.787 -13.566 4.299 1.00 0.00 C ATOM 0 HA PRO A 52 -7.861 -11.514 2.622 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.062 -10.357 4.821 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.999 -10.803 3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.682 -12.274 6.015 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.123 -12.054 5.042 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.692 -14.383 5.014 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.595 -13.831 3.617 1.00 0.00 H new ATOM 774 N GLY A 53 -5.737 -11.705 3.907 1.00 0.00 N ATOM 775 CA GLY A 53 -4.498 -11.522 4.711 1.00 0.00 C ATOM 776 C GLY A 53 -3.578 -12.726 4.503 1.00 0.00 C ATOM 777 O GLY A 53 -2.376 -12.634 4.653 1.00 0.00 O ATOM 0 H GLY A 53 -5.590 -11.825 2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.989 -10.605 4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.748 -11.419 5.767 1.00 0.00 H new ATOM 781 N VAL A 54 -4.134 -13.855 4.156 1.00 0.00 N ATOM 782 CA VAL A 54 -3.288 -15.063 3.936 1.00 0.00 C ATOM 783 C VAL A 54 -2.324 -14.824 2.777 1.00 0.00 C ATOM 784 O VAL A 54 -1.157 -15.150 2.852 1.00 0.00 O ATOM 785 CB VAL A 54 -4.272 -16.186 3.606 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.503 -17.407 3.094 1.00 0.00 C ATOM 787 CG2 VAL A 54 -5.052 -16.565 4.867 1.00 0.00 C ATOM 0 H VAL A 54 -5.135 -13.993 4.016 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.679 -15.307 4.806 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.966 -15.847 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.205 -18.207 2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.947 -17.137 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.808 -17.748 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.754 -17.365 4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.358 -16.904 5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.600 -15.696 5.231 1.00 0.00 H new ATOM 797 N GLN A 55 -2.797 -14.248 1.708 1.00 0.00 N ATOM 798 CA GLN A 55 -1.888 -13.983 0.560 1.00 0.00 C ATOM 799 C GLN A 55 -0.886 -12.908 0.964 1.00 0.00 C ATOM 800 O GLN A 55 0.233 -12.875 0.493 1.00 0.00 O ATOM 801 CB GLN A 55 -2.792 -13.492 -0.573 1.00 0.00 C ATOM 802 CG GLN A 55 -2.672 -14.443 -1.767 1.00 0.00 C ATOM 803 CD GLN A 55 -3.428 -15.739 -1.465 1.00 0.00 C ATOM 804 OE1 GLN A 55 -4.124 -15.833 -0.475 1.00 0.00 O ATOM 805 NE2 GLN A 55 -3.319 -16.749 -2.285 1.00 0.00 N ATOM 0 H GLN A 55 -3.765 -13.952 1.580 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.323 -14.863 0.253 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.827 -13.446 -0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.508 -12.482 -0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.078 -13.973 -2.662 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.623 -14.660 -1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.734 -16.670 -3.117 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.819 -17.617 -2.094 1.00 0.00 H new ATOM 814 N ASP A 56 -1.272 -12.039 1.857 1.00 0.00 N ATOM 815 CA ASP A 56 -0.333 -10.985 2.316 1.00 0.00 C ATOM 816 C ASP A 56 0.802 -11.638 3.106 1.00 0.00 C ATOM 817 O ASP A 56 1.947 -11.243 3.010 1.00 0.00 O ATOM 818 CB ASP A 56 -1.164 -10.068 3.209 1.00 0.00 C ATOM 819 CG ASP A 56 -1.519 -8.792 2.442 1.00 0.00 C ATOM 820 OD1 ASP A 56 -0.898 -8.545 1.421 1.00 0.00 O ATOM 821 OD2 ASP A 56 -2.406 -8.084 2.888 1.00 0.00 O ATOM 0 H ASP A 56 -2.197 -12.016 2.287 1.00 0.00 H new ATOM 0 HA ASP A 56 0.118 -10.429 1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.073 -10.579 3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.606 -9.819 4.112 1.00 0.00 H new ATOM 826 N CYS A 57 0.496 -12.653 3.876 1.00 0.00 N ATOM 827 CA CYS A 57 1.567 -13.339 4.649 1.00 0.00 C ATOM 828 C CYS A 57 2.542 -14.002 3.677 1.00 0.00 C ATOM 829 O CYS A 57 3.744 -13.898 3.818 1.00 0.00 O ATOM 830 CB CYS A 57 0.854 -14.402 5.487 1.00 0.00 C ATOM 831 SG CYS A 57 -0.022 -13.648 6.887 1.00 0.00 S ATOM 0 H CYS A 57 -0.443 -13.031 4.000 1.00 0.00 H new ATOM 0 HA CYS A 57 2.132 -12.650 5.276 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.147 -14.948 4.863 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.580 -15.127 5.855 1.00 0.00 H new ATOM 836 N MET A 58 2.031 -14.680 2.686 1.00 0.00 N ATOM 837 CA MET A 58 2.931 -15.347 1.706 1.00 0.00 C ATOM 838 C MET A 58 3.669 -14.300 0.871 1.00 0.00 C ATOM 839 O MET A 58 4.753 -14.542 0.379 1.00 0.00 O ATOM 840 CB MET A 58 2.016 -16.188 0.818 1.00 0.00 C ATOM 841 CG MET A 58 0.969 -16.900 1.679 1.00 0.00 C ATOM 842 SD MET A 58 0.737 -18.593 1.081 1.00 0.00 S ATOM 843 CE MET A 58 -0.117 -18.181 -0.460 1.00 0.00 C ATOM 0 H MET A 58 1.033 -14.800 2.514 1.00 0.00 H new ATOM 0 HA MET A 58 3.688 -15.958 2.198 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.524 -15.552 0.082 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.604 -16.920 0.264 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.289 -16.913 2.721 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.024 -16.358 1.642 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.514 -19.091 -0.910 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.936 -17.493 -0.250 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.584 -17.711 -1.150 1.00 0.00 H new ATOM 853 N LYS A 59 3.100 -13.136 0.713 1.00 0.00 N ATOM 854 CA LYS A 59 3.792 -12.087 -0.086 1.00 0.00 C ATOM 855 C LYS A 59 5.078 -11.685 0.628 1.00 0.00 C ATOM 856 O LYS A 59 6.129 -11.575 0.029 1.00 0.00 O ATOM 857 CB LYS A 59 2.815 -10.913 -0.143 1.00 0.00 C ATOM 858 CG LYS A 59 3.373 -9.839 -1.077 1.00 0.00 C ATOM 859 CD LYS A 59 2.346 -8.718 -1.235 1.00 0.00 C ATOM 860 CE LYS A 59 2.969 -7.566 -2.024 1.00 0.00 C ATOM 861 NZ LYS A 59 1.919 -6.510 -2.044 1.00 0.00 N ATOM 0 H LYS A 59 2.195 -12.868 1.099 1.00 0.00 H new ATOM 0 HA LYS A 59 4.061 -12.425 -1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.842 -11.251 -0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.664 -10.501 0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.304 -9.440 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.606 -10.273 -2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.461 -9.090 -1.751 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.020 -8.368 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.882 -7.208 -1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.237 -7.877 -3.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.269 -5.683 -2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.065 -6.879 -2.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.689 -6.230 -1.069 1.00 0.00 H new ATOM 875 N LYS A 60 5.004 -11.480 1.913 1.00 0.00 N ATOM 876 CA LYS A 60 6.222 -11.105 2.678 1.00 0.00 C ATOM 877 C LYS A 60 7.197 -12.285 2.701 1.00 0.00 C ATOM 878 O LYS A 60 8.399 -12.111 2.746 1.00 0.00 O ATOM 879 CB LYS A 60 5.721 -10.787 4.087 1.00 0.00 C ATOM 880 CG LYS A 60 6.912 -10.655 5.037 1.00 0.00 C ATOM 881 CD LYS A 60 7.793 -9.487 4.590 1.00 0.00 C ATOM 882 CE LYS A 60 8.719 -9.082 5.737 1.00 0.00 C ATOM 883 NZ LYS A 60 9.693 -10.204 5.852 1.00 0.00 N ATOM 0 H LYS A 60 4.150 -11.556 2.466 1.00 0.00 H new ATOM 0 HA LYS A 60 6.752 -10.259 2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.145 -9.862 4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.053 -11.575 4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.562 -10.491 6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.490 -11.579 5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.380 -9.773 3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.172 -8.642 4.293 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.224 -8.140 5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.163 -8.944 6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.487 -9.913 6.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.222 -11.031 6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.050 -10.452 4.907 1.00 0.00 H new ATOM 897 N LEU A 61 6.686 -13.489 2.668 1.00 0.00 N ATOM 898 CA LEU A 61 7.583 -14.680 2.685 1.00 0.00 C ATOM 899 C LEU A 61 8.202 -14.901 1.301 1.00 0.00 C ATOM 900 O LEU A 61 8.900 -15.869 1.070 1.00 0.00 O ATOM 901 CB LEU A 61 6.678 -15.851 3.066 1.00 0.00 C ATOM 902 CG LEU A 61 6.175 -15.658 4.499 1.00 0.00 C ATOM 903 CD1 LEU A 61 5.475 -16.933 4.973 1.00 0.00 C ATOM 904 CD2 LEU A 61 7.360 -15.355 5.418 1.00 0.00 C ATOM 0 H LEU A 61 5.688 -13.697 2.630 1.00 0.00 H new ATOM 0 HA LEU A 61 8.412 -14.563 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.835 -15.913 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.225 -16.790 2.984 1.00 0.00 H new ATOM 0 HG LEU A 61 5.470 -14.827 4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.118 -16.794 5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.630 -17.149 4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.178 -17.766 4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.003 -15.217 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.065 -16.186 5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.858 -14.445 5.082 1.00 0.00 H new