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 Set 1.1: A 8 THR OG1 : rot 65:sc= 0.236 USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0.369 USER MOD Single : A 10 TYR OH : rot 25:sc= 0.227 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0255 USER MOD Single : A 13 GLN : amide:sc= -0.278 K(o=-0.28,f=0.25) USER MOD Single : A 14 SER OG : rot -41:sc= 0.494 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -145:sc= -7.35! (180deg=-8.81!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 114:sc= -0.152 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -16:sc= 0.455 USER MOD Single : A 31 SER OG : rot -5:sc= 0.3! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 145:sc= -1.43 USER MOD Single : A 40 LYS NZ :NH3+ -167:sc=-0.00195 (180deg=-0.0644) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.23 K(o=-1.2,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 179:sc= -1.53 (180deg=-1.57) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -153:sc=-0.00517 (180deg=-0.164) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 5 1.364 -31.068 5.584 1.00 0.00 N ATOM 61 CA ASP A 5 0.325 -31.283 6.632 1.00 0.00 C ATOM 62 C ASP A 5 -1.015 -30.693 6.181 1.00 0.00 C ATOM 63 O ASP A 5 -1.066 -29.679 5.514 1.00 0.00 O ATOM 64 CB ASP A 5 0.850 -30.547 7.865 1.00 0.00 C ATOM 65 CG ASP A 5 1.512 -31.550 8.812 1.00 0.00 C ATOM 66 OD1 ASP A 5 0.881 -32.547 9.123 1.00 0.00 O ATOM 67 OD2 ASP A 5 2.638 -31.304 9.211 1.00 0.00 O ATOM 0 HA ASP A 5 0.152 -32.341 6.832 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.568 -29.783 7.568 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.032 -30.036 8.373 1.00 0.00 H new ATOM 72 N CYS A 6 -2.100 -31.323 6.541 1.00 0.00 N ATOM 73 CA CYS A 6 -3.439 -30.804 6.133 1.00 0.00 C ATOM 74 C CYS A 6 -4.027 -29.915 7.232 1.00 0.00 C ATOM 75 O CYS A 6 -3.737 -30.083 8.399 1.00 0.00 O ATOM 76 CB CYS A 6 -4.299 -32.052 5.940 1.00 0.00 C ATOM 77 SG CYS A 6 -3.465 -33.187 4.805 1.00 0.00 S ATOM 0 H CYS A 6 -2.118 -32.176 7.101 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.387 -30.195 5.231 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.471 -32.540 6.899 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.276 -31.776 5.543 1.00 0.00 H new ATOM 82 N CYS A 7 -4.854 -28.972 6.868 1.00 0.00 N ATOM 83 CA CYS A 7 -5.461 -28.080 7.891 1.00 0.00 C ATOM 84 C CYS A 7 -6.814 -28.635 8.344 1.00 0.00 C ATOM 85 O CYS A 7 -7.620 -29.065 7.544 1.00 0.00 O ATOM 86 CB CYS A 7 -5.649 -26.743 7.179 1.00 0.00 C ATOM 87 SG CYS A 7 -4.199 -25.695 7.458 1.00 0.00 S ATOM 0 H CYS A 7 -5.134 -28.783 5.906 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.840 -27.990 8.782 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.792 -26.906 6.111 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.546 -26.246 7.549 1.00 0.00 H new ATOM 92 N THR A 8 -7.073 -28.617 9.622 1.00 0.00 N ATOM 93 CA THR A 8 -8.380 -29.131 10.128 1.00 0.00 C ATOM 94 C THR A 8 -9.298 -27.953 10.458 1.00 0.00 C ATOM 95 O THR A 8 -10.504 -28.085 10.524 1.00 0.00 O ATOM 96 CB THR A 8 -8.038 -29.918 11.394 1.00 0.00 C ATOM 97 OG1 THR A 8 -7.414 -29.053 12.333 1.00 0.00 O ATOM 98 CG2 THR A 8 -7.088 -31.065 11.045 1.00 0.00 C ATOM 0 H THR A 8 -6.437 -28.269 10.339 1.00 0.00 H new ATOM 0 HA THR A 8 -8.897 -29.753 9.398 1.00 0.00 H new ATOM 0 HB THR A 8 -8.952 -30.326 11.826 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.050 -28.363 12.615 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.846 -31.624 11.949 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.567 -31.728 10.325 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.173 -30.661 10.612 1.00 0.00 H new ATOM 106 N SER A 9 -8.726 -26.799 10.660 1.00 0.00 N ATOM 107 CA SER A 9 -9.542 -25.595 10.982 1.00 0.00 C ATOM 108 C SER A 9 -8.728 -24.335 10.676 1.00 0.00 C ATOM 109 O SER A 9 -7.536 -24.286 10.907 1.00 0.00 O ATOM 110 CB SER A 9 -9.837 -25.699 12.478 1.00 0.00 C ATOM 111 OG SER A 9 -8.881 -26.550 13.091 1.00 0.00 O ATOM 0 H SER A 9 -7.720 -26.637 10.615 1.00 0.00 H new ATOM 0 HA SER A 9 -10.461 -25.540 10.399 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.805 -24.710 12.935 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.842 -26.091 12.635 1.00 0.00 H new ATOM 0 HG SER A 9 -9.069 -26.616 14.051 1.00 0.00 H new ATOM 117 N TYR A 10 -9.354 -23.320 10.151 1.00 0.00 N ATOM 118 CA TYR A 10 -8.602 -22.076 9.823 1.00 0.00 C ATOM 119 C TYR A 10 -8.606 -21.115 11.018 1.00 0.00 C ATOM 120 O TYR A 10 -9.383 -21.256 11.940 1.00 0.00 O ATOM 121 CB TYR A 10 -9.342 -21.476 8.629 1.00 0.00 C ATOM 122 CG TYR A 10 -9.324 -22.473 7.495 1.00 0.00 C ATOM 123 CD1 TYR A 10 -8.114 -22.796 6.866 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.512 -23.084 7.077 1.00 0.00 C ATOM 125 CE1 TYR A 10 -8.093 -23.728 5.823 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.491 -24.014 6.031 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.282 -24.336 5.404 1.00 0.00 C ATOM 128 OH TYR A 10 -9.261 -25.256 4.376 1.00 0.00 O ATOM 0 H TYR A 10 -10.351 -23.297 9.935 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.555 -22.271 9.593 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.369 -21.235 8.904 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.868 -20.544 8.320 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.197 -22.325 7.187 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.445 -22.838 7.562 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.159 -23.978 5.341 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.408 -24.483 5.708 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.373 -25.667 4.323 1.00 0.00 H new ATOM 138 N ILE A 11 -7.729 -20.149 11.007 1.00 0.00 N ATOM 139 CA ILE A 11 -7.662 -19.181 12.139 1.00 0.00 C ATOM 140 C ILE A 11 -8.984 -18.418 12.265 1.00 0.00 C ATOM 141 O ILE A 11 -9.812 -18.440 11.377 1.00 0.00 O ATOM 142 CB ILE A 11 -6.509 -18.227 11.798 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.952 -17.228 10.722 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.296 -19.018 11.298 1.00 0.00 C ATOM 145 CD1 ILE A 11 -7.084 -17.935 9.371 1.00 0.00 C ATOM 0 H ILE A 11 -7.053 -19.988 10.260 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.495 -19.680 13.093 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.231 -17.682 12.700 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.905 -16.780 11.001 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.228 -16.417 10.648 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.486 -18.329 11.060 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.968 -19.710 12.074 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.570 -19.578 10.404 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.399 -17.217 8.614 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.122 -18.362 9.088 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.825 -18.730 9.447 1.00 0.00 H new ATOM 157 N SER A 12 -9.192 -17.751 13.370 1.00 0.00 N ATOM 158 CA SER A 12 -10.463 -16.997 13.563 1.00 0.00 C ATOM 159 C SER A 12 -10.310 -15.541 13.103 1.00 0.00 C ATOM 160 O SER A 12 -11.224 -14.749 13.216 1.00 0.00 O ATOM 161 CB SER A 12 -10.721 -17.063 15.070 1.00 0.00 C ATOM 162 OG SER A 12 -10.760 -15.748 15.608 1.00 0.00 O ATOM 0 H SER A 12 -8.534 -17.697 14.148 1.00 0.00 H new ATOM 0 HA SER A 12 -11.284 -17.416 12.981 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.664 -17.574 15.265 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.937 -17.643 15.558 1.00 0.00 H new ATOM 0 HG SER A 12 -10.927 -15.794 16.573 1.00 0.00 H new ATOM 168 N GLN A 13 -9.168 -15.183 12.586 1.00 0.00 N ATOM 169 CA GLN A 13 -8.972 -13.777 12.124 1.00 0.00 C ATOM 170 C GLN A 13 -7.882 -13.716 11.052 1.00 0.00 C ATOM 171 O GLN A 13 -7.430 -14.726 10.556 1.00 0.00 O ATOM 172 CB GLN A 13 -8.538 -13.006 13.373 1.00 0.00 C ATOM 173 CG GLN A 13 -7.415 -13.769 14.078 1.00 0.00 C ATOM 174 CD GLN A 13 -6.288 -12.799 14.438 1.00 0.00 C ATOM 175 OE1 GLN A 13 -5.662 -12.226 13.569 1.00 0.00 O ATOM 176 NE2 GLN A 13 -6.001 -12.591 15.694 1.00 0.00 N ATOM 0 H GLN A 13 -8.364 -15.799 12.463 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.876 -13.361 11.680 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.197 -12.008 13.097 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.385 -12.878 14.047 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.797 -14.250 14.979 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.036 -14.560 13.431 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.527 -13.072 16.424 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.251 -11.947 15.946 1.00 0.00 H new ATOM 185 N SER A 14 -7.457 -12.539 10.689 1.00 0.00 N ATOM 186 CA SER A 14 -6.395 -12.420 9.649 1.00 0.00 C ATOM 187 C SER A 14 -5.129 -13.156 10.100 1.00 0.00 C ATOM 188 O SER A 14 -4.804 -13.186 11.271 1.00 0.00 O ATOM 189 CB SER A 14 -6.130 -10.920 9.525 1.00 0.00 C ATOM 190 OG SER A 14 -6.777 -10.418 8.364 1.00 0.00 O ATOM 0 H SER A 14 -7.798 -11.655 11.066 1.00 0.00 H new ATOM 0 HA SER A 14 -6.695 -12.860 8.698 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.496 -10.401 10.411 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.058 -10.733 9.466 1.00 0.00 H new ATOM 0 HG SER A 14 -6.669 -11.056 7.628 1.00 0.00 H new ATOM 196 N ILE A 15 -4.414 -13.750 9.184 1.00 0.00 N ATOM 197 CA ILE A 15 -3.171 -14.482 9.567 1.00 0.00 C ATOM 198 C ILE A 15 -2.071 -13.489 9.953 1.00 0.00 C ATOM 199 O ILE A 15 -1.867 -12.497 9.283 1.00 0.00 O ATOM 200 CB ILE A 15 -2.753 -15.254 8.317 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.732 -16.403 8.066 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.338 -15.810 8.518 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.485 -17.523 9.078 1.00 0.00 C ATOM 0 H ILE A 15 -4.635 -13.761 8.188 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.336 -15.139 10.421 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.763 -14.587 7.455 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.758 -16.044 8.150 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.609 -16.783 7.052 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.034 -16.362 7.629 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.644 -14.987 8.688 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.328 -16.477 9.380 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.184 -18.339 8.896 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.464 -17.890 8.973 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.630 -17.139 10.088 1.00 0.00 H new ATOM 215 N PRO A 16 -1.386 -13.802 11.016 1.00 0.00 N ATOM 216 CA PRO A 16 -0.282 -12.940 11.493 1.00 0.00 C ATOM 217 C PRO A 16 0.971 -13.176 10.649 1.00 0.00 C ATOM 218 O PRO A 16 1.801 -14.002 10.973 1.00 0.00 O ATOM 219 CB PRO A 16 -0.056 -13.408 12.924 1.00 0.00 C ATOM 220 CG PRO A 16 -0.540 -14.825 12.951 1.00 0.00 C ATOM 221 CD PRO A 16 -1.582 -14.977 11.871 1.00 0.00 C ATOM 0 HA PRO A 16 -0.508 -11.876 11.426 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.997 -13.346 13.198 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.607 -12.790 13.633 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.287 -15.515 12.783 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.963 -15.066 13.926 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.445 -15.903 11.313 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.588 -15.002 12.289 1.00 0.00 H new ATOM 229 N CYS A 17 1.116 -12.459 9.571 1.00 0.00 N ATOM 230 CA CYS A 17 2.322 -12.643 8.716 1.00 0.00 C ATOM 231 C CYS A 17 3.582 -12.309 9.521 1.00 0.00 C ATOM 232 O CYS A 17 4.646 -12.848 9.288 1.00 0.00 O ATOM 233 CB CYS A 17 2.164 -11.644 7.567 1.00 0.00 C ATOM 234 SG CYS A 17 0.524 -11.802 6.815 1.00 0.00 S ATOM 0 H CYS A 17 0.454 -11.755 9.245 1.00 0.00 H new ATOM 0 HA CYS A 17 2.415 -13.668 8.357 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.305 -10.629 7.937 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.934 -11.819 6.816 1.00 0.00 H new ATOM 239 N SER A 18 3.466 -11.413 10.465 1.00 0.00 N ATOM 240 CA SER A 18 4.656 -11.026 11.278 1.00 0.00 C ATOM 241 C SER A 18 5.097 -12.184 12.172 1.00 0.00 C ATOM 242 O SER A 18 6.206 -12.214 12.669 1.00 0.00 O ATOM 243 CB SER A 18 4.189 -9.842 12.124 1.00 0.00 C ATOM 244 OG SER A 18 5.193 -8.838 12.130 1.00 0.00 O ATOM 0 H SER A 18 2.600 -10.933 10.708 1.00 0.00 H new ATOM 0 HA SER A 18 5.512 -10.771 10.654 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.259 -9.439 11.722 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.981 -10.169 13.143 1.00 0.00 H new ATOM 0 HG SER A 18 4.893 -8.078 12.671 1.00 0.00 H new ATOM 250 N LEU A 19 4.237 -13.128 12.380 1.00 0.00 N ATOM 251 CA LEU A 19 4.592 -14.289 13.244 1.00 0.00 C ATOM 252 C LEU A 19 4.919 -15.522 12.397 1.00 0.00 C ATOM 253 O LEU A 19 4.773 -16.642 12.846 1.00 0.00 O ATOM 254 CB LEU A 19 3.347 -14.543 14.092 1.00 0.00 C ATOM 255 CG LEU A 19 3.736 -14.599 15.570 1.00 0.00 C ATOM 256 CD1 LEU A 19 2.515 -14.266 16.430 1.00 0.00 C ATOM 257 CD2 LEU A 19 4.234 -16.004 15.913 1.00 0.00 C ATOM 0 H LEU A 19 3.295 -13.152 11.989 1.00 0.00 H new ATOM 0 HA LEU A 19 5.474 -14.087 13.851 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.615 -13.752 13.928 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.876 -15.480 13.794 1.00 0.00 H new ATOM 0 HG LEU A 19 4.527 -13.876 15.766 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.791 -14.305 17.484 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.160 -13.265 16.185 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.724 -14.990 16.234 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.511 -16.045 16.966 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.443 -16.728 15.718 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.103 -16.242 15.299 1.00 0.00 H new ATOM 269 N MET A 20 5.358 -15.342 11.179 1.00 0.00 N ATOM 270 CA MET A 20 5.680 -16.536 10.339 1.00 0.00 C ATOM 271 C MET A 20 6.864 -16.251 9.415 1.00 0.00 C ATOM 272 O MET A 20 7.014 -15.167 8.887 1.00 0.00 O ATOM 273 CB MET A 20 4.432 -16.851 9.488 1.00 0.00 C ATOM 274 CG MET A 20 3.198 -16.062 9.953 1.00 0.00 C ATOM 275 SD MET A 20 2.458 -16.875 11.390 1.00 0.00 S ATOM 276 CE MET A 20 0.831 -17.184 10.657 1.00 0.00 C ATOM 0 H MET A 20 5.506 -14.436 10.734 1.00 0.00 H new ATOM 0 HA MET A 20 5.949 -17.377 10.979 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.638 -16.617 8.444 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.219 -17.919 9.540 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.482 -15.041 10.207 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.470 -15.998 9.145 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.062 -17.087 11.424 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.646 -16.460 9.864 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.804 -18.191 10.242 1.00 0.00 H new ATOM 286 N LYS A 21 7.699 -17.232 9.213 1.00 0.00 N ATOM 287 CA LYS A 21 8.876 -17.050 8.318 1.00 0.00 C ATOM 288 C LYS A 21 8.557 -17.573 6.913 1.00 0.00 C ATOM 289 O LYS A 21 9.043 -17.055 5.926 1.00 0.00 O ATOM 290 CB LYS A 21 9.991 -17.881 8.957 1.00 0.00 C ATOM 291 CG LYS A 21 11.104 -18.120 7.933 1.00 0.00 C ATOM 292 CD LYS A 21 12.381 -18.552 8.656 1.00 0.00 C ATOM 293 CE LYS A 21 13.166 -19.523 7.769 1.00 0.00 C ATOM 294 NZ LYS A 21 13.997 -20.331 8.711 1.00 0.00 N ATOM 0 H LYS A 21 7.616 -18.158 9.632 1.00 0.00 H new ATOM 0 HA LYS A 21 9.157 -16.002 8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.390 -17.363 9.829 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.594 -18.834 9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.799 -18.888 7.222 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.288 -17.210 7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.992 -17.680 8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.131 -19.029 9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.495 -20.159 7.192 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.790 -18.986 7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.562 -21.018 8.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.632 -19.701 9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.377 -20.837 9.375 1.00 0.00 H new ATOM 308 N SER A 22 7.752 -18.600 6.813 1.00 0.00 N ATOM 309 CA SER A 22 7.420 -19.150 5.465 1.00 0.00 C ATOM 310 C SER A 22 5.997 -19.715 5.448 1.00 0.00 C ATOM 311 O SER A 22 5.284 -19.656 6.428 1.00 0.00 O ATOM 312 CB SER A 22 8.438 -20.266 5.234 1.00 0.00 C ATOM 313 OG SER A 22 8.555 -20.521 3.842 1.00 0.00 O ATOM 0 H SER A 22 7.313 -19.078 7.600 1.00 0.00 H new ATOM 0 HA SER A 22 7.463 -18.385 4.690 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.406 -19.980 5.645 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.126 -21.171 5.755 1.00 0.00 H new ATOM 0 HG SER A 22 9.209 -21.236 3.694 1.00 0.00 H new ATOM 319 N TYR A 23 5.581 -20.258 4.336 1.00 0.00 N ATOM 320 CA TYR A 23 4.207 -20.836 4.243 1.00 0.00 C ATOM 321 C TYR A 23 4.201 -21.995 3.239 1.00 0.00 C ATOM 322 O TYR A 23 5.026 -22.052 2.349 1.00 0.00 O ATOM 323 CB TYR A 23 3.324 -19.685 3.756 1.00 0.00 C ATOM 324 CG TYR A 23 3.678 -19.344 2.329 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.163 -20.112 1.278 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.520 -18.258 2.057 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.489 -19.795 -0.046 1.00 0.00 C ATOM 328 CE2 TYR A 23 4.845 -17.941 0.732 1.00 0.00 C ATOM 329 CZ TYR A 23 4.329 -18.709 -0.319 1.00 0.00 C ATOM 330 OH TYR A 23 4.651 -18.396 -1.623 1.00 0.00 O ATOM 0 H TYR A 23 6.136 -20.327 3.483 1.00 0.00 H new ATOM 0 HA TYR A 23 3.853 -21.236 5.193 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.273 -19.966 3.823 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.462 -18.812 4.394 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.514 -20.949 1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.918 -17.666 2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.092 -20.388 -0.857 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.494 -17.104 0.521 1.00 0.00 H new ATOM 0 HH TYR A 23 5.242 -17.614 -1.635 1.00 0.00 H new ATOM 340 N PHE A 24 3.284 -22.920 3.364 1.00 0.00 N ATOM 341 CA PHE A 24 3.256 -24.057 2.398 1.00 0.00 C ATOM 342 C PHE A 24 1.827 -24.572 2.203 1.00 0.00 C ATOM 343 O PHE A 24 1.013 -24.535 3.104 1.00 0.00 O ATOM 344 CB PHE A 24 4.152 -25.137 3.019 1.00 0.00 C ATOM 345 CG PHE A 24 3.384 -25.932 4.053 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.485 -26.930 3.650 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.580 -25.677 5.416 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.782 -27.668 4.610 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.876 -26.417 6.375 1.00 0.00 C ATOM 350 CZ PHE A 24 1.978 -27.412 5.971 1.00 0.00 C ATOM 0 H PHE A 24 2.562 -22.937 4.084 1.00 0.00 H new ATOM 0 HA PHE A 24 3.609 -23.760 1.410 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.522 -25.804 2.240 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.023 -24.673 3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.335 -27.129 2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.274 -24.910 5.728 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.088 -28.435 4.299 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.026 -26.220 7.426 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.436 -27.982 6.711 1.00 0.00 H new ATOM 360 N GLU A 25 1.523 -25.059 1.031 1.00 0.00 N ATOM 361 CA GLU A 25 0.154 -25.586 0.770 1.00 0.00 C ATOM 362 C GLU A 25 0.109 -27.084 1.073 1.00 0.00 C ATOM 363 O GLU A 25 1.036 -27.813 0.779 1.00 0.00 O ATOM 364 CB GLU A 25 -0.092 -25.332 -0.718 1.00 0.00 C ATOM 365 CG GLU A 25 -0.056 -23.828 -0.994 1.00 0.00 C ATOM 366 CD GLU A 25 1.234 -23.477 -1.739 1.00 0.00 C ATOM 367 OE1 GLU A 25 1.244 -23.600 -2.953 1.00 0.00 O ATOM 368 OE2 GLU A 25 2.189 -23.092 -1.085 1.00 0.00 O ATOM 0 H GLU A 25 2.166 -25.115 0.241 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.603 -25.108 1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.666 -25.840 -1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.057 -25.743 -1.013 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.922 -23.535 -1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.110 -23.274 -0.057 1.00 0.00 H new ATOM 375 N THR A 26 -0.956 -27.553 1.659 1.00 0.00 N ATOM 376 CA THR A 26 -1.048 -29.006 1.977 1.00 0.00 C ATOM 377 C THR A 26 -1.082 -29.824 0.684 1.00 0.00 C ATOM 378 O THR A 26 -0.869 -29.308 -0.395 1.00 0.00 O ATOM 379 CB THR A 26 -2.359 -29.163 2.750 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.454 -29.013 1.856 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.440 -28.096 3.843 1.00 0.00 C ATOM 0 H THR A 26 -1.765 -26.995 1.931 1.00 0.00 H new ATOM 0 HA THR A 26 -0.194 -29.359 2.555 1.00 0.00 H new ATOM 0 HB THR A 26 -2.396 -30.151 3.208 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.934 -29.864 1.782 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.374 -28.209 4.393 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.600 -28.212 4.528 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.404 -27.106 3.388 1.00 0.00 H new ATOM 389 N SER A 27 -1.348 -31.097 0.785 1.00 0.00 N ATOM 390 CA SER A 27 -1.395 -31.947 -0.441 1.00 0.00 C ATOM 391 C SER A 27 -2.842 -32.120 -0.911 1.00 0.00 C ATOM 392 O SER A 27 -3.760 -32.178 -0.118 1.00 0.00 O ATOM 393 CB SER A 27 -0.805 -33.291 -0.014 1.00 0.00 C ATOM 394 OG SER A 27 0.465 -33.081 0.586 1.00 0.00 O ATOM 0 H SER A 27 -1.535 -31.586 1.661 1.00 0.00 H new ATOM 0 HA SER A 27 -0.843 -31.505 -1.271 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.474 -33.787 0.689 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.707 -33.948 -0.878 1.00 0.00 H new ATOM 0 HG SER A 27 0.843 -33.942 0.862 1.00 0.00 H new ATOM 400 N SER A 28 -3.051 -32.204 -2.197 1.00 0.00 N ATOM 401 CA SER A 28 -4.439 -32.375 -2.719 1.00 0.00 C ATOM 402 C SER A 28 -4.984 -33.755 -2.342 1.00 0.00 C ATOM 403 O SER A 28 -6.132 -34.067 -2.583 1.00 0.00 O ATOM 404 CB SER A 28 -4.311 -32.245 -4.237 1.00 0.00 C ATOM 405 OG SER A 28 -5.543 -32.601 -4.848 1.00 0.00 O ATOM 0 H SER A 28 -2.322 -32.162 -2.909 1.00 0.00 H new ATOM 0 HA SER A 28 -5.128 -31.640 -2.303 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.042 -31.223 -4.504 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.512 -32.890 -4.602 1.00 0.00 H new ATOM 0 HG SER A 28 -6.098 -33.089 -4.205 1.00 0.00 H new ATOM 411 N GLU A 29 -4.166 -34.582 -1.757 1.00 0.00 N ATOM 412 CA GLU A 29 -4.630 -35.943 -1.366 1.00 0.00 C ATOM 413 C GLU A 29 -5.562 -35.862 -0.154 1.00 0.00 C ATOM 414 O GLU A 29 -6.416 -36.703 0.042 1.00 0.00 O ATOM 415 CB GLU A 29 -3.355 -36.706 -1.008 1.00 0.00 C ATOM 416 CG GLU A 29 -3.194 -37.899 -1.950 1.00 0.00 C ATOM 417 CD GLU A 29 -4.148 -39.017 -1.523 1.00 0.00 C ATOM 418 OE1 GLU A 29 -5.272 -39.022 -1.996 1.00 0.00 O ATOM 419 OE2 GLU A 29 -3.738 -39.848 -0.730 1.00 0.00 O ATOM 0 H GLU A 29 -3.193 -34.375 -1.532 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.191 -36.431 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.490 -36.047 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.402 -37.049 0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.406 -37.597 -2.976 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.165 -38.257 -1.929 1.00 0.00 H new ATOM 426 N CYS A 30 -5.402 -34.859 0.665 1.00 0.00 N ATOM 427 CA CYS A 30 -6.277 -34.733 1.866 1.00 0.00 C ATOM 428 C CYS A 30 -7.689 -34.303 1.461 1.00 0.00 C ATOM 429 O CYS A 30 -7.886 -33.628 0.470 1.00 0.00 O ATOM 430 CB CYS A 30 -5.612 -33.665 2.732 1.00 0.00 C ATOM 431 SG CYS A 30 -4.926 -34.445 4.214 1.00 0.00 S ATOM 0 H CYS A 30 -4.705 -34.122 0.555 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.382 -35.679 2.397 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.823 -33.164 2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.338 -32.902 3.011 1.00 0.00 H new ATOM 436 N SER A 31 -8.674 -34.698 2.222 1.00 0.00 N ATOM 437 CA SER A 31 -10.080 -34.326 1.891 1.00 0.00 C ATOM 438 C SER A 31 -10.283 -32.811 1.961 1.00 0.00 C ATOM 439 O SER A 31 -11.323 -32.298 1.594 1.00 0.00 O ATOM 440 CB SER A 31 -10.932 -35.030 2.947 1.00 0.00 C ATOM 441 OG SER A 31 -12.209 -34.412 3.015 1.00 0.00 O ATOM 0 H SER A 31 -8.565 -35.265 3.063 1.00 0.00 H new ATOM 0 HA SER A 31 -10.347 -34.622 0.877 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.040 -36.086 2.698 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.440 -34.981 3.918 1.00 0.00 H new ATOM 0 HG SER A 31 -12.225 -33.628 2.427 1.00 0.00 H new ATOM 447 N LYS A 32 -9.308 -32.088 2.433 1.00 0.00 N ATOM 448 CA LYS A 32 -9.462 -30.606 2.527 1.00 0.00 C ATOM 449 C LYS A 32 -8.101 -29.912 2.405 1.00 0.00 C ATOM 450 O LYS A 32 -7.223 -30.124 3.218 1.00 0.00 O ATOM 451 CB LYS A 32 -10.065 -30.361 3.910 1.00 0.00 C ATOM 452 CG LYS A 32 -10.186 -28.854 4.153 1.00 0.00 C ATOM 453 CD LYS A 32 -10.204 -28.580 5.657 1.00 0.00 C ATOM 454 CE LYS A 32 -11.512 -27.878 6.032 1.00 0.00 C ATOM 455 NZ LYS A 32 -12.206 -28.829 6.946 1.00 0.00 N ATOM 0 H LYS A 32 -8.413 -32.455 2.757 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.088 -30.208 1.728 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.046 -30.832 3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.438 -30.815 4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.350 -28.332 3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.097 -28.473 3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.109 -29.515 6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.353 -27.958 5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.322 -26.924 6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.115 -27.667 5.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.113 -28.420 7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.379 -29.726 6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.611 -29.006 7.780 1.00 0.00 H new ATOM 469 N PRO A 33 -7.976 -29.097 1.391 1.00 0.00 N ATOM 470 CA PRO A 33 -6.711 -28.356 1.160 1.00 0.00 C ATOM 471 C PRO A 33 -6.562 -27.221 2.177 1.00 0.00 C ATOM 472 O PRO A 33 -7.351 -27.086 3.092 1.00 0.00 O ATOM 473 CB PRO A 33 -6.875 -27.798 -0.250 1.00 0.00 C ATOM 474 CG PRO A 33 -8.354 -27.715 -0.466 1.00 0.00 C ATOM 475 CD PRO A 33 -8.989 -28.794 0.372 1.00 0.00 C ATOM 0 HA PRO A 33 -5.824 -28.981 1.268 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.407 -26.818 -0.343 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.404 -28.447 -0.988 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.730 -26.733 -0.178 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.597 -27.853 -1.520 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.920 -28.452 0.824 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.229 -29.673 -0.225 1.00 0.00 H new ATOM 483 N GLY A 34 -5.558 -26.401 2.021 1.00 0.00 N ATOM 484 CA GLY A 34 -5.361 -25.276 2.976 1.00 0.00 C ATOM 485 C GLY A 34 -3.904 -24.811 2.923 1.00 0.00 C ATOM 486 O GLY A 34 -3.064 -25.439 2.311 1.00 0.00 O ATOM 0 H GLY A 34 -4.867 -26.462 1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.027 -24.450 2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.616 -25.594 3.987 1.00 0.00 H new ATOM 490 N VAL A 35 -3.597 -23.718 3.563 1.00 0.00 N ATOM 491 CA VAL A 35 -2.192 -23.215 3.556 1.00 0.00 C ATOM 492 C VAL A 35 -1.703 -23.038 4.995 1.00 0.00 C ATOM 493 O VAL A 35 -2.226 -22.238 5.741 1.00 0.00 O ATOM 494 CB VAL A 35 -2.259 -21.866 2.840 1.00 0.00 C ATOM 495 CG1 VAL A 35 -0.972 -21.082 3.108 1.00 0.00 C ATOM 496 CG2 VAL A 35 -2.413 -22.094 1.335 1.00 0.00 C ATOM 0 H VAL A 35 -4.258 -23.149 4.092 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.502 -23.900 3.062 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.114 -21.300 3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.019 -20.120 2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.862 -20.919 4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.117 -21.648 2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.461 -21.132 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.559 -22.660 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.329 -22.652 1.143 1.00 0.00 H new ATOM 506 N ILE A 36 -0.706 -23.778 5.394 1.00 0.00 N ATOM 507 CA ILE A 36 -0.202 -23.644 6.790 1.00 0.00 C ATOM 508 C ILE A 36 1.068 -22.795 6.814 1.00 0.00 C ATOM 509 O ILE A 36 1.987 -23.015 6.053 1.00 0.00 O ATOM 510 CB ILE A 36 0.095 -25.073 7.249 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.220 -25.772 7.613 1.00 0.00 C ATOM 512 CG2 ILE A 36 1.018 -25.039 8.473 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.929 -27.018 8.455 1.00 0.00 C ATOM 0 H ILE A 36 -0.221 -24.466 4.818 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.924 -23.152 7.442 1.00 0.00 H new ATOM 0 HB ILE A 36 0.587 -25.620 6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.864 -25.089 8.167 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.757 -26.052 6.707 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.228 -26.058 8.798 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.952 -24.542 8.211 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.531 -24.493 9.281 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.867 -27.511 8.711 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.302 -27.704 7.885 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.411 -26.727 9.369 1.00 0.00 H new ATOM 525 N PHE A 37 1.131 -21.835 7.689 1.00 0.00 N ATOM 526 CA PHE A 37 2.351 -20.983 7.760 1.00 0.00 C ATOM 527 C PHE A 37 3.312 -21.530 8.821 1.00 0.00 C ATOM 528 O PHE A 37 2.905 -21.922 9.897 1.00 0.00 O ATOM 529 CB PHE A 37 1.847 -19.593 8.157 1.00 0.00 C ATOM 530 CG PHE A 37 1.140 -18.953 6.985 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.203 -19.256 6.728 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.824 -18.052 6.158 1.00 0.00 C ATOM 533 CE1 PHE A 37 -0.861 -18.659 5.645 1.00 0.00 C ATOM 534 CE2 PHE A 37 1.167 -17.457 5.075 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.175 -17.760 4.819 1.00 0.00 C ATOM 0 H PHE A 37 0.396 -21.602 8.356 1.00 0.00 H new ATOM 0 HA PHE A 37 2.895 -20.961 6.816 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.167 -19.671 9.006 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.683 -18.970 8.474 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.731 -19.950 7.365 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.859 -17.817 6.357 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.897 -18.892 5.447 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.696 -16.764 4.437 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.682 -17.300 3.984 1.00 0.00 H new ATOM 545 N LEU A 38 4.584 -21.558 8.529 1.00 0.00 N ATOM 546 CA LEU A 38 5.566 -22.075 9.523 1.00 0.00 C ATOM 547 C LEU A 38 6.210 -20.903 10.262 1.00 0.00 C ATOM 548 O LEU A 38 6.817 -20.038 9.661 1.00 0.00 O ATOM 549 CB LEU A 38 6.610 -22.827 8.697 1.00 0.00 C ATOM 550 CG LEU A 38 6.101 -24.237 8.391 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.990 -24.878 7.323 1.00 0.00 C ATOM 552 CD2 LEU A 38 6.144 -25.082 9.666 1.00 0.00 C ATOM 0 H LEU A 38 4.985 -21.245 7.645 1.00 0.00 H new ATOM 0 HA LEU A 38 5.105 -22.719 10.272 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.809 -22.292 7.769 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.552 -22.880 9.243 1.00 0.00 H new ATOM 0 HG LEU A 38 5.075 -24.183 8.026 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.629 -25.883 7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.960 -24.276 6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.016 -24.933 7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.781 -26.087 9.449 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.169 -25.137 10.031 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.512 -24.625 10.427 1.00 0.00 H new ATOM 564 N THR A 39 6.066 -20.865 11.559 1.00 0.00 N ATOM 565 CA THR A 39 6.654 -19.744 12.346 1.00 0.00 C ATOM 566 C THR A 39 8.052 -20.109 12.844 1.00 0.00 C ATOM 567 O THR A 39 8.353 -21.257 13.104 1.00 0.00 O ATOM 568 CB THR A 39 5.706 -19.544 13.532 1.00 0.00 C ATOM 569 OG1 THR A 39 5.962 -20.541 14.511 1.00 0.00 O ATOM 570 CG2 THR A 39 4.254 -19.652 13.060 1.00 0.00 C ATOM 0 H THR A 39 5.565 -21.564 12.108 1.00 0.00 H new ATOM 0 HA THR A 39 6.758 -18.841 11.745 1.00 0.00 H new ATOM 0 HB THR A 39 5.869 -18.556 13.963 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.834 -20.162 15.405 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.584 -19.509 13.908 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.058 -18.887 12.309 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.085 -20.638 12.626 1.00 0.00 H new ATOM 578 N LYS A 40 8.905 -19.135 12.979 1.00 0.00 N ATOM 579 CA LYS A 40 10.286 -19.410 13.462 1.00 0.00 C ATOM 580 C LYS A 40 10.254 -19.906 14.911 1.00 0.00 C ATOM 581 O LYS A 40 11.120 -20.640 15.347 1.00 0.00 O ATOM 582 CB LYS A 40 10.999 -18.062 13.372 1.00 0.00 C ATOM 583 CG LYS A 40 11.812 -17.998 12.079 1.00 0.00 C ATOM 584 CD LYS A 40 12.166 -16.542 11.772 1.00 0.00 C ATOM 585 CE LYS A 40 10.888 -15.765 11.446 1.00 0.00 C ATOM 586 NZ LYS A 40 10.775 -14.744 12.526 1.00 0.00 N ATOM 0 H LYS A 40 8.705 -18.156 12.775 1.00 0.00 H new ATOM 0 HA LYS A 40 10.786 -20.182 12.878 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.271 -17.251 13.396 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.654 -17.927 14.233 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.721 -18.591 12.178 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.240 -18.426 11.256 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.671 -16.091 12.626 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.858 -16.494 10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.950 -15.296 10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.019 -16.422 11.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.826 -14.320 12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.932 -15.196 13.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.489 -14.002 12.378 1.00 0.00 H new ATOM 600 N LYS A 41 9.262 -19.510 15.662 1.00 0.00 N ATOM 601 CA LYS A 41 9.176 -19.955 17.084 1.00 0.00 C ATOM 602 C LYS A 41 8.840 -21.446 17.161 1.00 0.00 C ATOM 603 O LYS A 41 8.798 -22.030 18.226 1.00 0.00 O ATOM 604 CB LYS A 41 8.047 -19.122 17.691 1.00 0.00 C ATOM 605 CG LYS A 41 8.539 -18.453 18.977 1.00 0.00 C ATOM 606 CD LYS A 41 7.530 -17.390 19.414 1.00 0.00 C ATOM 607 CE LYS A 41 7.701 -17.107 20.907 1.00 0.00 C ATOM 608 NZ LYS A 41 7.545 -15.631 21.035 1.00 0.00 N ATOM 0 H LYS A 41 8.507 -18.898 15.353 1.00 0.00 H new ATOM 0 HA LYS A 41 10.119 -19.818 17.613 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.716 -18.366 16.979 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.187 -19.757 17.905 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.663 -19.198 19.763 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.516 -17.998 18.813 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.678 -16.475 18.840 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.515 -17.732 19.212 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.954 -17.636 21.498 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.678 -17.434 21.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.649 -15.356 22.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.274 -15.154 20.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.603 -15.351 20.695 1.00 0.00 H new ATOM 622 N GLY A 42 8.601 -22.067 16.041 1.00 0.00 N ATOM 623 CA GLY A 42 8.270 -23.520 16.051 1.00 0.00 C ATOM 624 C GLY A 42 6.755 -23.700 16.177 1.00 0.00 C ATOM 625 O GLY A 42 6.268 -24.294 17.118 1.00 0.00 O ATOM 0 H GLY A 42 8.620 -21.632 15.119 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.628 -23.991 15.135 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.775 -24.013 16.882 1.00 0.00 H new ATOM 629 N ARG A 43 6.007 -23.192 15.237 1.00 0.00 N ATOM 630 CA ARG A 43 4.524 -23.336 15.305 1.00 0.00 C ATOM 631 C ARG A 43 3.939 -23.376 13.892 1.00 0.00 C ATOM 632 O ARG A 43 4.642 -23.206 12.917 1.00 0.00 O ATOM 633 CB ARG A 43 4.041 -22.094 16.052 1.00 0.00 C ATOM 634 CG ARG A 43 2.638 -22.344 16.607 1.00 0.00 C ATOM 635 CD ARG A 43 1.652 -21.370 15.957 1.00 0.00 C ATOM 636 NE ARG A 43 0.369 -21.584 16.683 1.00 0.00 N ATOM 637 CZ ARG A 43 -0.764 -21.510 16.041 1.00 0.00 C ATOM 638 NH1 ARG A 43 -1.201 -20.356 15.617 1.00 0.00 N ATOM 639 NH2 ARG A 43 -1.463 -22.591 15.822 1.00 0.00 N ATOM 0 H ARG A 43 6.357 -22.684 14.425 1.00 0.00 H new ATOM 0 HA ARG A 43 4.216 -24.255 15.804 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.728 -21.856 16.864 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.030 -21.235 15.381 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.335 -23.372 16.409 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.635 -22.214 17.689 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.993 -20.339 16.053 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.542 -21.571 14.891 1.00 0.00 H new ATOM 0 HE ARG A 43 0.376 -21.788 17.682 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.656 -19.511 15.787 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.087 -20.299 15.115 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.123 -23.494 16.153 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.349 -22.532 15.320 1.00 0.00 H new ATOM 653 N GLN A 44 2.660 -23.597 13.770 1.00 0.00 N ATOM 654 CA GLN A 44 2.042 -23.641 12.415 1.00 0.00 C ATOM 655 C GLN A 44 0.598 -23.142 12.471 1.00 0.00 C ATOM 656 O GLN A 44 -0.179 -23.545 13.313 1.00 0.00 O ATOM 657 CB GLN A 44 2.082 -25.109 11.998 1.00 0.00 C ATOM 658 CG GLN A 44 1.270 -25.948 12.987 1.00 0.00 C ATOM 659 CD GLN A 44 1.350 -27.426 12.591 1.00 0.00 C ATOM 660 OE1 GLN A 44 1.132 -28.297 13.409 1.00 0.00 O ATOM 661 NE2 GLN A 44 1.658 -27.745 11.364 1.00 0.00 N ATOM 0 H GLN A 44 2.017 -23.749 14.547 1.00 0.00 H new ATOM 0 HA GLN A 44 2.572 -23.004 11.707 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.678 -25.223 10.992 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.113 -25.461 11.969 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.654 -25.810 13.998 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.231 -25.618 12.993 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.841 -27.013 10.677 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.716 -28.726 11.091 1.00 0.00 H new ATOM 670 N VAL A 45 0.233 -22.272 11.572 1.00 0.00 N ATOM 671 CA VAL A 45 -1.163 -21.750 11.560 1.00 0.00 C ATOM 672 C VAL A 45 -1.915 -22.332 10.364 1.00 0.00 C ATOM 673 O VAL A 45 -1.316 -22.867 9.452 1.00 0.00 O ATOM 674 CB VAL A 45 -1.022 -20.233 11.428 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.411 -19.598 11.349 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.279 -19.684 12.648 1.00 0.00 C ATOM 0 H VAL A 45 0.842 -21.899 10.843 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.721 -22.021 12.456 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.462 -19.996 10.523 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.312 -18.517 11.255 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.942 -19.991 10.482 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.971 -19.834 12.254 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.177 -18.603 12.556 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.840 -19.920 13.552 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.710 -20.138 12.706 1.00 0.00 H new ATOM 686 N CYS A 46 -3.217 -22.241 10.356 1.00 0.00 N ATOM 687 CA CYS A 46 -3.989 -22.806 9.212 1.00 0.00 C ATOM 688 C CYS A 46 -4.881 -21.733 8.591 1.00 0.00 C ATOM 689 O CYS A 46 -5.762 -21.201 9.231 1.00 0.00 O ATOM 690 CB CYS A 46 -4.841 -23.919 9.822 1.00 0.00 C ATOM 691 SG CYS A 46 -4.085 -25.525 9.467 1.00 0.00 S ATOM 0 H CYS A 46 -3.777 -21.803 11.087 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.338 -23.175 8.419 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.927 -23.776 10.899 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.851 -23.883 9.414 1.00 0.00 H new ATOM 696 N ALA A 47 -4.662 -21.411 7.347 1.00 0.00 N ATOM 697 CA ALA A 47 -5.503 -20.371 6.690 1.00 0.00 C ATOM 698 C ALA A 47 -6.279 -20.976 5.516 1.00 0.00 C ATOM 699 O ALA A 47 -5.952 -22.035 5.020 1.00 0.00 O ATOM 700 CB ALA A 47 -4.515 -19.316 6.193 1.00 0.00 C ATOM 0 H ALA A 47 -3.938 -21.822 6.757 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.241 -19.949 7.372 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.059 -18.513 5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.961 -18.909 7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.819 -19.772 5.489 1.00 0.00 H new ATOM 706 N LYS A 48 -7.308 -20.308 5.074 1.00 0.00 N ATOM 707 CA LYS A 48 -8.113 -20.840 3.937 1.00 0.00 C ATOM 708 C LYS A 48 -7.451 -20.485 2.602 1.00 0.00 C ATOM 709 O LYS A 48 -6.431 -19.826 2.571 1.00 0.00 O ATOM 710 CB LYS A 48 -9.472 -20.150 4.060 1.00 0.00 C ATOM 711 CG LYS A 48 -10.524 -21.169 4.501 1.00 0.00 C ATOM 712 CD LYS A 48 -11.863 -20.839 3.838 1.00 0.00 C ATOM 713 CE LYS A 48 -12.816 -20.250 4.881 1.00 0.00 C ATOM 714 NZ LYS A 48 -14.047 -19.901 4.118 1.00 0.00 N ATOM 0 H LYS A 48 -7.627 -19.416 5.451 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.200 -21.926 3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.414 -19.336 4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.756 -19.709 3.104 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.208 -22.176 4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.629 -21.153 5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.713 -20.129 3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.296 -21.739 3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.031 -20.969 5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.384 -19.371 5.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.751 -19.490 4.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.812 -19.210 3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.439 -20.759 3.680 1.00 0.00 H new ATOM 728 N PRO A 49 -8.062 -20.937 1.540 1.00 0.00 N ATOM 729 CA PRO A 49 -7.532 -20.668 0.180 1.00 0.00 C ATOM 730 C PRO A 49 -7.737 -19.197 -0.190 1.00 0.00 C ATOM 731 O PRO A 49 -6.942 -18.606 -0.893 1.00 0.00 O ATOM 732 CB PRO A 49 -8.368 -21.577 -0.717 1.00 0.00 C ATOM 733 CG PRO A 49 -9.639 -21.803 0.041 1.00 0.00 C ATOM 734 CD PRO A 49 -9.294 -21.735 1.506 1.00 0.00 C ATOM 0 HA PRO A 49 -6.462 -20.858 0.091 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.562 -21.110 -1.682 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.854 -22.517 -0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.381 -21.047 -0.216 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.071 -22.772 -0.209 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.091 -21.265 2.083 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.139 -22.728 1.927 1.00 0.00 H new ATOM 742 N SER A 50 -8.798 -18.601 0.281 1.00 0.00 N ATOM 743 CA SER A 50 -9.053 -17.167 -0.041 1.00 0.00 C ATOM 744 C SER A 50 -9.143 -16.349 1.250 1.00 0.00 C ATOM 745 O SER A 50 -9.930 -15.430 1.361 1.00 0.00 O ATOM 746 CB SER A 50 -10.394 -17.154 -0.779 1.00 0.00 C ATOM 747 OG SER A 50 -10.734 -18.475 -1.174 1.00 0.00 O ATOM 0 H SER A 50 -9.499 -19.044 0.875 1.00 0.00 H new ATOM 0 HA SER A 50 -8.256 -16.730 -0.643 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.172 -16.745 -0.134 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.333 -16.507 -1.654 1.00 0.00 H new ATOM 0 HG SER A 50 -11.594 -18.465 -1.645 1.00 0.00 H new ATOM 753 N GLY A 51 -8.342 -16.677 2.227 1.00 0.00 N ATOM 754 CA GLY A 51 -8.381 -15.919 3.509 1.00 0.00 C ATOM 755 C GLY A 51 -7.867 -14.497 3.277 1.00 0.00 C ATOM 756 O GLY A 51 -6.887 -14.296 2.588 1.00 0.00 O ATOM 0 H GLY A 51 -7.663 -17.437 2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.400 -15.890 3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.769 -16.420 4.259 1.00 0.00 H new ATOM 760 N PRO A 52 -8.552 -13.554 3.865 1.00 0.00 N ATOM 761 CA PRO A 52 -8.164 -12.129 3.724 1.00 0.00 C ATOM 762 C PRO A 52 -6.883 -11.844 4.511 1.00 0.00 C ATOM 763 O PRO A 52 -6.922 -11.504 5.678 1.00 0.00 O ATOM 764 CB PRO A 52 -9.350 -11.375 4.319 1.00 0.00 C ATOM 765 CG PRO A 52 -9.986 -12.344 5.264 1.00 0.00 C ATOM 766 CD PRO A 52 -9.741 -13.723 4.709 1.00 0.00 C ATOM 0 HA PRO A 52 -7.956 -11.840 2.694 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.025 -10.473 4.837 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.049 -11.063 3.543 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.558 -12.248 6.262 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.054 -12.149 5.356 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.568 -14.449 5.503 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.594 -14.079 4.132 1.00 0.00 H new ATOM 774 N GLY A 53 -5.747 -11.979 3.883 1.00 0.00 N ATOM 775 CA GLY A 53 -4.466 -11.716 4.596 1.00 0.00 C ATOM 776 C GLY A 53 -3.495 -12.872 4.349 1.00 0.00 C ATOM 777 O GLY A 53 -2.296 -12.730 4.497 1.00 0.00 O ATOM 0 H GLY A 53 -5.651 -12.260 2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.029 -10.780 4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.649 -11.604 5.665 1.00 0.00 H new ATOM 781 N VAL A 54 -3.998 -14.016 3.972 1.00 0.00 N ATOM 782 CA VAL A 54 -3.098 -15.176 3.715 1.00 0.00 C ATOM 783 C VAL A 54 -2.118 -14.834 2.596 1.00 0.00 C ATOM 784 O VAL A 54 -0.952 -15.171 2.656 1.00 0.00 O ATOM 785 CB VAL A 54 -4.031 -16.319 3.299 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.234 -17.399 2.564 1.00 0.00 C ATOM 787 CG2 VAL A 54 -4.679 -16.926 4.545 1.00 0.00 C ATOM 0 H VAL A 54 -4.992 -14.197 3.831 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.501 -15.445 4.586 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.803 -15.928 2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.903 -18.209 2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.773 -16.969 1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.458 -17.790 3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.343 -17.739 4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.904 -17.312 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.253 -16.160 5.067 1.00 0.00 H new ATOM 797 N GLN A 55 -2.573 -14.156 1.582 1.00 0.00 N ATOM 798 CA GLN A 55 -1.651 -13.787 0.476 1.00 0.00 C ATOM 799 C GLN A 55 -0.656 -12.750 0.985 1.00 0.00 C ATOM 800 O GLN A 55 0.461 -12.659 0.518 1.00 0.00 O ATOM 801 CB GLN A 55 -2.543 -13.198 -0.618 1.00 0.00 C ATOM 802 CG GLN A 55 -2.480 -14.086 -1.861 1.00 0.00 C ATOM 803 CD GLN A 55 -3.541 -15.183 -1.758 1.00 0.00 C ATOM 804 OE1 GLN A 55 -4.688 -14.971 -2.098 1.00 0.00 O ATOM 805 NE2 GLN A 55 -3.205 -16.358 -1.298 1.00 0.00 N ATOM 0 H GLN A 55 -3.538 -13.843 1.471 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.079 -14.635 0.100 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.571 -13.124 -0.263 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.217 -12.187 -0.863 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.646 -13.488 -2.757 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.489 -14.531 -1.953 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.242 -16.538 -1.012 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.905 -17.096 -1.225 1.00 0.00 H new ATOM 814 N ASP A 56 -1.048 -11.980 1.962 1.00 0.00 N ATOM 815 CA ASP A 56 -0.117 -10.966 2.525 1.00 0.00 C ATOM 816 C ASP A 56 1.016 -11.684 3.255 1.00 0.00 C ATOM 817 O ASP A 56 2.173 -11.325 3.134 1.00 0.00 O ATOM 818 CB ASP A 56 -0.961 -10.146 3.502 1.00 0.00 C ATOM 819 CG ASP A 56 -0.098 -9.047 4.125 1.00 0.00 C ATOM 820 OD1 ASP A 56 1.110 -9.210 4.147 1.00 0.00 O ATOM 821 OD2 ASP A 56 -0.661 -8.060 4.569 1.00 0.00 O ATOM 0 H ASP A 56 -1.972 -12.010 2.394 1.00 0.00 H new ATOM 0 HA ASP A 56 0.333 -10.330 1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.811 -9.704 2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.364 -10.792 4.282 1.00 0.00 H new ATOM 826 N CYS A 57 0.697 -12.712 3.999 1.00 0.00 N ATOM 827 CA CYS A 57 1.766 -13.458 4.715 1.00 0.00 C ATOM 828 C CYS A 57 2.700 -14.104 3.694 1.00 0.00 C ATOM 829 O CYS A 57 3.907 -14.047 3.817 1.00 0.00 O ATOM 830 CB CYS A 57 1.040 -14.530 5.529 1.00 0.00 C ATOM 831 SG CYS A 57 0.115 -13.778 6.897 1.00 0.00 S ATOM 0 H CYS A 57 -0.251 -13.062 4.139 1.00 0.00 H new ATOM 0 HA CYS A 57 2.369 -12.813 5.355 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.359 -15.085 4.884 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.761 -15.247 5.922 1.00 0.00 H new ATOM 836 N MET A 58 2.147 -14.716 2.681 1.00 0.00 N ATOM 837 CA MET A 58 3.004 -15.358 1.649 1.00 0.00 C ATOM 838 C MET A 58 3.710 -14.293 0.809 1.00 0.00 C ATOM 839 O MET A 58 4.720 -14.553 0.186 1.00 0.00 O ATOM 840 CB MET A 58 2.050 -16.169 0.780 1.00 0.00 C ATOM 841 CG MET A 58 1.208 -17.095 1.663 1.00 0.00 C ATOM 842 SD MET A 58 -0.343 -17.490 0.817 1.00 0.00 S ATOM 843 CE MET A 58 0.387 -18.298 -0.628 1.00 0.00 C ATOM 0 H MET A 58 1.142 -14.798 2.526 1.00 0.00 H new ATOM 0 HA MET A 58 3.779 -15.982 2.094 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.401 -15.501 0.214 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.613 -16.756 0.054 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.760 -18.010 1.879 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.001 -16.614 2.619 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.406 -18.644 -1.291 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.021 -17.588 -1.160 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.987 -19.149 -0.305 1.00 0.00 H new ATOM 853 N LYS A 59 3.195 -13.093 0.789 1.00 0.00 N ATOM 854 CA LYS A 59 3.854 -12.026 -0.011 1.00 0.00 C ATOM 855 C LYS A 59 5.211 -11.711 0.609 1.00 0.00 C ATOM 856 O LYS A 59 6.233 -11.757 -0.048 1.00 0.00 O ATOM 857 CB LYS A 59 2.920 -10.818 0.078 1.00 0.00 C ATOM 858 CG LYS A 59 2.228 -10.612 -1.271 1.00 0.00 C ATOM 859 CD LYS A 59 1.334 -9.371 -1.204 1.00 0.00 C ATOM 860 CE LYS A 59 0.764 -9.078 -2.592 1.00 0.00 C ATOM 861 NZ LYS A 59 1.770 -8.189 -3.239 1.00 0.00 N ATOM 0 H LYS A 59 2.353 -12.809 1.289 1.00 0.00 H new ATOM 0 HA LYS A 59 4.023 -12.315 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.177 -10.975 0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.485 -9.926 0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.972 -10.495 -2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.632 -11.489 -1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.524 -9.531 -0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.907 -8.516 -0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.622 -9.996 -3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.209 -8.591 -2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.450 -7.943 -4.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.879 -7.321 -2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.684 -8.682 -3.295 1.00 0.00 H new ATOM 875 N LYS A 60 5.230 -11.413 1.876 1.00 0.00 N ATOM 876 CA LYS A 60 6.527 -11.122 2.546 1.00 0.00 C ATOM 877 C LYS A 60 7.349 -12.409 2.646 1.00 0.00 C ATOM 878 O LYS A 60 8.561 -12.381 2.726 1.00 0.00 O ATOM 879 CB LYS A 60 6.153 -10.610 3.937 1.00 0.00 C ATOM 880 CG LYS A 60 7.326 -9.821 4.524 1.00 0.00 C ATOM 881 CD LYS A 60 8.174 -10.743 5.401 1.00 0.00 C ATOM 882 CE LYS A 60 7.799 -10.535 6.870 1.00 0.00 C ATOM 883 NZ LYS A 60 8.491 -9.275 7.265 1.00 0.00 N ATOM 0 H LYS A 60 4.407 -11.358 2.476 1.00 0.00 H new ATOM 0 HA LYS A 60 7.128 -10.394 2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.268 -9.976 3.877 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.902 -11.447 4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.935 -9.404 3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.955 -8.982 5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.012 -11.783 5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.233 -10.532 5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.720 -10.449 6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.125 -11.375 7.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.681 -9.289 8.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.389 -9.195 6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.886 -8.460 7.036 1.00 0.00 H new ATOM 897 N LEU A 61 6.693 -13.541 2.642 1.00 0.00 N ATOM 898 CA LEU A 61 7.428 -14.835 2.736 1.00 0.00 C ATOM 899 C LEU A 61 8.011 -15.226 1.373 1.00 0.00 C ATOM 900 O LEU A 61 8.482 -16.330 1.185 1.00 0.00 O ATOM 901 CB LEU A 61 6.372 -15.847 3.190 1.00 0.00 C ATOM 902 CG LEU A 61 6.383 -15.961 4.720 1.00 0.00 C ATOM 903 CD1 LEU A 61 6.544 -14.573 5.349 1.00 0.00 C ATOM 904 CD2 LEU A 61 5.067 -16.578 5.195 1.00 0.00 C ATOM 0 H LEU A 61 5.678 -13.624 2.578 1.00 0.00 H new ATOM 0 HA LEU A 61 8.271 -14.785 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.386 -15.535 2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.572 -16.820 2.742 1.00 0.00 H new ATOM 0 HG LEU A 61 7.218 -16.593 5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.551 -14.664 6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.482 -14.129 5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.714 -13.937 5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.075 -16.659 6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.235 -15.946 4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.952 -17.570 4.758 1.00 0.00 H new