USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=17 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 55 GLN : amide:sc= -0.218 K(o=-0.73,f=-2.4!) USER MOD Set 1.2: A 58 MET CE :methyl -157:sc= -0.513 (180deg=-1.82!) USER MOD Single : A 8 THR OG1 : rot -20:sc= 0.0974 USER MOD Single : A 9 SER OG : rot 180:sc= -1.53 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.75) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 178:sc= -7.63 (180deg=-7.87) 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 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 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 150:sc= -0.17 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= -1.07 K(o=-1.1,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 142:sc= -0.103 (180deg=-0.845) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0324 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 5 0.461 -32.430 5.915 1.00 0.00 N ATOM 61 CA ASP A 5 -0.189 -31.692 7.037 1.00 0.00 C ATOM 62 C ASP A 5 -1.413 -30.923 6.530 1.00 0.00 C ATOM 63 O ASP A 5 -1.314 -29.789 6.106 1.00 0.00 O ATOM 64 CB ASP A 5 0.879 -30.724 7.546 1.00 0.00 C ATOM 65 CG ASP A 5 1.813 -31.457 8.512 1.00 0.00 C ATOM 66 OD1 ASP A 5 2.128 -32.604 8.244 1.00 0.00 O ATOM 67 OD2 ASP A 5 2.198 -30.857 9.503 1.00 0.00 O ATOM 0 HA ASP A 5 -0.540 -32.362 7.822 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.448 -30.321 6.709 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.409 -29.879 8.049 1.00 0.00 H new ATOM 72 N CYS A 6 -2.568 -31.531 6.573 1.00 0.00 N ATOM 73 CA CYS A 6 -3.798 -30.834 6.095 1.00 0.00 C ATOM 74 C CYS A 6 -4.491 -30.128 7.264 1.00 0.00 C ATOM 75 O CYS A 6 -4.586 -30.663 8.352 1.00 0.00 O ATOM 76 CB CYS A 6 -4.689 -31.943 5.533 1.00 0.00 C ATOM 77 SG CYS A 6 -3.923 -32.644 4.050 1.00 0.00 S ATOM 0 H CYS A 6 -2.713 -32.480 6.918 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.578 -30.071 5.348 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.834 -32.721 6.282 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.675 -31.545 5.292 1.00 0.00 H new ATOM 82 N CYS A 7 -4.974 -28.933 7.056 1.00 0.00 N ATOM 83 CA CYS A 7 -5.655 -28.204 8.159 1.00 0.00 C ATOM 84 C CYS A 7 -7.153 -28.515 8.156 1.00 0.00 C ATOM 85 O CYS A 7 -7.794 -28.526 7.124 1.00 0.00 O ATOM 86 CB CYS A 7 -5.424 -26.727 7.850 1.00 0.00 C ATOM 87 SG CYS A 7 -3.880 -26.174 8.617 1.00 0.00 S ATOM 0 H CYS A 7 -4.925 -28.432 6.169 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.272 -28.488 9.139 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.380 -26.574 6.772 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.259 -26.133 8.222 1.00 0.00 H new ATOM 92 N THR A 8 -7.719 -28.752 9.305 1.00 0.00 N ATOM 93 CA THR A 8 -9.179 -29.044 9.372 1.00 0.00 C ATOM 94 C THR A 8 -9.931 -27.795 9.839 1.00 0.00 C ATOM 95 O THR A 8 -11.144 -27.731 9.798 1.00 0.00 O ATOM 96 CB THR A 8 -9.316 -30.173 10.394 1.00 0.00 C ATOM 97 OG1 THR A 8 -10.687 -30.519 10.532 1.00 0.00 O ATOM 98 CG2 THR A 8 -8.764 -29.713 11.744 1.00 0.00 C ATOM 0 H THR A 8 -7.234 -28.756 10.202 1.00 0.00 H new ATOM 0 HA THR A 8 -9.594 -29.329 8.405 1.00 0.00 H new ATOM 0 HB THR A 8 -8.754 -31.043 10.054 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.245 -29.783 10.204 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.863 -30.519 12.471 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.712 -29.448 11.636 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.323 -28.843 12.089 1.00 0.00 H new ATOM 106 N SER A 9 -9.210 -26.799 10.278 1.00 0.00 N ATOM 107 CA SER A 9 -9.860 -25.544 10.747 1.00 0.00 C ATOM 108 C SER A 9 -8.869 -24.384 10.635 1.00 0.00 C ATOM 109 O SER A 9 -7.700 -24.524 10.936 1.00 0.00 O ATOM 110 CB SER A 9 -10.224 -25.804 12.208 1.00 0.00 C ATOM 111 OG SER A 9 -10.807 -27.093 12.328 1.00 0.00 O ATOM 0 H SER A 9 -8.191 -26.802 10.332 1.00 0.00 H new ATOM 0 HA SER A 9 -10.738 -25.280 10.158 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.334 -25.736 12.833 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.921 -25.044 12.561 1.00 0.00 H new ATOM 0 HG SER A 9 -11.039 -27.261 13.265 1.00 0.00 H new ATOM 117 N TYR A 10 -9.320 -23.243 10.197 1.00 0.00 N ATOM 118 CA TYR A 10 -8.396 -22.081 10.061 1.00 0.00 C ATOM 119 C TYR A 10 -8.368 -21.273 11.359 1.00 0.00 C ATOM 120 O TYR A 10 -9.144 -21.512 12.264 1.00 0.00 O ATOM 121 CB TYR A 10 -8.971 -21.265 8.906 1.00 0.00 C ATOM 122 CG TYR A 10 -9.092 -22.162 7.696 1.00 0.00 C ATOM 123 CD1 TYR A 10 -7.945 -22.747 7.150 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.346 -22.422 7.133 1.00 0.00 C ATOM 125 CE1 TYR A 10 -8.049 -23.592 6.040 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.452 -23.266 6.020 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.303 -23.851 5.473 1.00 0.00 C ATOM 128 OH TYR A 10 -9.406 -24.684 4.379 1.00 0.00 O ATOM 0 H TYR A 10 -10.287 -23.063 9.927 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.366 -22.380 9.868 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.947 -20.861 9.177 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.325 -20.416 8.684 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.978 -22.546 7.586 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.232 -21.972 7.556 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.163 -24.044 5.621 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.420 -23.466 5.584 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.346 -24.758 4.111 1.00 0.00 H new ATOM 138 N ILE A 11 -7.477 -20.326 11.467 1.00 0.00 N ATOM 139 CA ILE A 11 -7.405 -19.522 12.721 1.00 0.00 C ATOM 140 C ILE A 11 -8.733 -18.798 12.955 1.00 0.00 C ATOM 141 O ILE A 11 -9.523 -18.618 12.049 1.00 0.00 O ATOM 142 CB ILE A 11 -6.262 -18.513 12.517 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.737 -17.351 11.638 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.061 -19.189 11.855 1.00 0.00 C ATOM 145 CD1 ILE A 11 -6.941 -17.846 10.206 1.00 0.00 C ATOM 0 H ILE A 11 -6.800 -20.075 10.747 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.221 -20.149 13.593 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.963 -18.133 13.494 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.669 -16.942 12.029 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.004 -16.545 11.655 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.262 -18.460 11.719 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.706 -20.002 12.489 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.357 -19.588 10.885 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.279 -17.020 9.580 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.999 -18.234 9.818 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.690 -18.637 10.198 1.00 0.00 H new ATOM 157 N SER A 12 -8.985 -18.380 14.165 1.00 0.00 N ATOM 158 CA SER A 12 -10.258 -17.670 14.460 1.00 0.00 C ATOM 159 C SER A 12 -10.045 -16.155 14.389 1.00 0.00 C ATOM 160 O SER A 12 -10.974 -15.380 14.502 1.00 0.00 O ATOM 161 CB SER A 12 -10.618 -18.101 15.882 1.00 0.00 C ATOM 162 OG SER A 12 -10.683 -16.963 16.728 1.00 0.00 O ATOM 0 H SER A 12 -8.361 -18.501 14.963 1.00 0.00 H new ATOM 0 HA SER A 12 -11.048 -17.909 13.748 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.576 -18.621 15.883 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.874 -18.803 16.258 1.00 0.00 H new ATOM 0 HG SER A 12 -10.916 -17.244 17.637 1.00 0.00 H new ATOM 168 N GLN A 13 -8.827 -15.732 14.200 1.00 0.00 N ATOM 169 CA GLN A 13 -8.546 -14.270 14.120 1.00 0.00 C ATOM 170 C GLN A 13 -7.601 -13.978 12.951 1.00 0.00 C ATOM 171 O GLN A 13 -7.254 -14.858 12.187 1.00 0.00 O ATOM 172 CB GLN A 13 -7.877 -13.920 15.449 1.00 0.00 C ATOM 173 CG GLN A 13 -6.810 -14.967 15.777 1.00 0.00 C ATOM 174 CD GLN A 13 -5.650 -14.299 16.520 1.00 0.00 C ATOM 175 OE1 GLN A 13 -5.208 -13.232 16.146 1.00 0.00 O ATOM 176 NE2 GLN A 13 -5.139 -14.887 17.568 1.00 0.00 N ATOM 0 H GLN A 13 -8.012 -16.336 14.097 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.450 -13.685 13.953 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.424 -12.930 15.390 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.622 -13.883 16.244 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.240 -15.760 16.389 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.448 -15.433 14.860 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.511 -15.783 17.882 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.368 -14.450 18.073 1.00 0.00 H new ATOM 185 N SER A 14 -7.185 -12.752 12.805 1.00 0.00 N ATOM 186 CA SER A 14 -6.264 -12.404 11.684 1.00 0.00 C ATOM 187 C SER A 14 -4.995 -13.258 11.752 1.00 0.00 C ATOM 188 O SER A 14 -4.528 -13.612 12.816 1.00 0.00 O ATOM 189 CB SER A 14 -5.928 -10.928 11.894 1.00 0.00 C ATOM 190 OG SER A 14 -6.119 -10.219 10.678 1.00 0.00 O ATOM 0 H SER A 14 -7.442 -11.974 13.413 1.00 0.00 H new ATOM 0 HA SER A 14 -6.715 -12.587 10.709 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.561 -10.508 12.675 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.896 -10.823 12.230 1.00 0.00 H new ATOM 0 HG SER A 14 -5.905 -9.272 10.814 1.00 0.00 H new ATOM 196 N ILE A 15 -4.432 -13.590 10.621 1.00 0.00 N ATOM 197 CA ILE A 15 -3.192 -14.417 10.613 1.00 0.00 C ATOM 198 C ILE A 15 -2.004 -13.579 11.097 1.00 0.00 C ATOM 199 O ILE A 15 -1.886 -12.421 10.752 1.00 0.00 O ATOM 200 CB ILE A 15 -3.009 -14.825 9.145 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.991 -15.945 8.803 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.580 -15.323 8.907 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.635 -17.199 9.605 1.00 0.00 C ATOM 0 H ILE A 15 -4.779 -13.323 9.700 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.257 -15.283 11.271 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.196 -13.957 8.512 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.010 -15.632 9.031 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.955 -16.161 7.735 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.464 -15.609 7.862 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.873 -14.529 9.146 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.385 -16.186 9.543 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.335 -17.998 9.361 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.622 -17.515 9.355 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.693 -16.978 10.671 1.00 0.00 H new ATOM 215 N PRO A 16 -1.163 -14.202 11.881 1.00 0.00 N ATOM 216 CA PRO A 16 0.038 -13.517 12.415 1.00 0.00 C ATOM 217 C PRO A 16 1.146 -13.516 11.357 1.00 0.00 C ATOM 218 O PRO A 16 2.205 -14.077 11.554 1.00 0.00 O ATOM 219 CB PRO A 16 0.441 -14.383 13.602 1.00 0.00 C ATOM 220 CG PRO A 16 -0.098 -15.749 13.296 1.00 0.00 C ATOM 221 CD PRO A 16 -1.260 -15.587 12.344 1.00 0.00 C ATOM 0 HA PRO A 16 -0.141 -12.477 12.689 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.524 -14.405 13.723 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.025 -13.995 14.532 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.676 -16.374 12.850 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.421 -16.246 14.211 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.193 -16.289 11.513 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.211 -15.773 12.843 1.00 0.00 H new ATOM 229 N CYS A 17 0.903 -12.901 10.235 1.00 0.00 N ATOM 230 CA CYS A 17 1.931 -12.873 9.152 1.00 0.00 C ATOM 231 C CYS A 17 3.170 -12.101 9.609 1.00 0.00 C ATOM 232 O CYS A 17 4.257 -12.293 9.099 1.00 0.00 O ATOM 233 CB CYS A 17 1.250 -12.168 7.972 1.00 0.00 C ATOM 234 SG CYS A 17 -0.401 -12.875 7.719 1.00 0.00 S ATOM 0 H CYS A 17 0.034 -12.414 10.018 1.00 0.00 H new ATOM 0 HA CYS A 17 2.272 -13.873 8.883 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.173 -11.099 8.168 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.850 -12.284 7.069 1.00 0.00 H new ATOM 239 N SER A 18 3.017 -11.228 10.568 1.00 0.00 N ATOM 240 CA SER A 18 4.184 -10.437 11.057 1.00 0.00 C ATOM 241 C SER A 18 5.186 -11.323 11.807 1.00 0.00 C ATOM 242 O SER A 18 6.174 -10.841 12.329 1.00 0.00 O ATOM 243 CB SER A 18 3.584 -9.395 12.000 1.00 0.00 C ATOM 244 OG SER A 18 4.196 -8.135 11.763 1.00 0.00 O ATOM 0 H SER A 18 2.133 -11.028 11.035 1.00 0.00 H new ATOM 0 HA SER A 18 4.736 -9.986 10.233 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.508 -9.324 11.843 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.736 -9.696 13.036 1.00 0.00 H new ATOM 0 HG SER A 18 3.811 -7.466 12.366 1.00 0.00 H new ATOM 250 N LEU A 19 4.953 -12.606 11.877 1.00 0.00 N ATOM 251 CA LEU A 19 5.909 -13.487 12.603 1.00 0.00 C ATOM 252 C LEU A 19 6.114 -14.804 11.847 1.00 0.00 C ATOM 253 O LEU A 19 6.695 -15.737 12.367 1.00 0.00 O ATOM 254 CB LEU A 19 5.248 -13.751 13.957 1.00 0.00 C ATOM 255 CG LEU A 19 6.049 -13.061 15.063 1.00 0.00 C ATOM 256 CD1 LEU A 19 5.210 -11.938 15.676 1.00 0.00 C ATOM 257 CD2 LEU A 19 6.402 -14.082 16.147 1.00 0.00 C ATOM 0 H LEU A 19 4.148 -13.078 11.466 1.00 0.00 H new ATOM 0 HA LEU A 19 6.892 -13.027 12.703 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.223 -13.380 13.951 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.198 -14.823 14.146 1.00 0.00 H new ATOM 0 HG LEU A 19 6.964 -12.643 14.643 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.780 -11.446 16.464 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.956 -11.211 14.905 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.295 -12.355 16.097 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.973 -13.592 16.936 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.486 -14.498 16.567 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.999 -14.883 15.711 1.00 0.00 H new ATOM 269 N MET A 20 5.653 -14.896 10.626 1.00 0.00 N ATOM 270 CA MET A 20 5.847 -16.170 9.871 1.00 0.00 C ATOM 271 C MET A 20 7.125 -16.104 9.034 1.00 0.00 C ATOM 272 O MET A 20 7.369 -15.148 8.325 1.00 0.00 O ATOM 273 CB MET A 20 4.631 -16.323 8.951 1.00 0.00 C ATOM 274 CG MET A 20 3.346 -15.894 9.668 1.00 0.00 C ATOM 275 SD MET A 20 2.767 -17.227 10.747 1.00 0.00 S ATOM 276 CE MET A 20 0.993 -16.993 10.459 1.00 0.00 C ATOM 0 H MET A 20 5.159 -14.157 10.126 1.00 0.00 H new ATOM 0 HA MET A 20 5.940 -17.015 10.553 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.770 -15.720 8.054 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.543 -17.360 8.627 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.530 -14.994 10.254 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.577 -15.646 8.937 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.432 -17.747 11.011 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.697 -16.000 10.799 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.781 -17.090 9.394 1.00 0.00 H new ATOM 286 N LYS A 21 7.936 -17.118 9.111 1.00 0.00 N ATOM 287 CA LYS A 21 9.198 -17.130 8.321 1.00 0.00 C ATOM 288 C LYS A 21 9.015 -17.923 7.019 1.00 0.00 C ATOM 289 O LYS A 21 9.725 -17.710 6.057 1.00 0.00 O ATOM 290 CB LYS A 21 10.228 -17.809 9.225 1.00 0.00 C ATOM 291 CG LYS A 21 9.703 -19.174 9.671 1.00 0.00 C ATOM 292 CD LYS A 21 10.865 -20.017 10.201 1.00 0.00 C ATOM 293 CE LYS A 21 11.083 -21.224 9.285 1.00 0.00 C ATOM 294 NZ LYS A 21 12.555 -21.264 9.050 1.00 0.00 N ATOM 0 H LYS A 21 7.780 -17.944 9.689 1.00 0.00 H new ATOM 0 HA LYS A 21 9.507 -16.125 8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.171 -17.928 8.692 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.430 -17.184 10.095 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.947 -19.050 10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.222 -19.682 8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.772 -19.415 10.248 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.651 -20.352 11.216 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.732 -22.144 9.753 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.536 -21.114 8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.786 -22.066 8.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.859 -20.378 8.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.049 -21.376 9.958 1.00 0.00 H new ATOM 308 N SER A 22 8.076 -18.838 6.974 1.00 0.00 N ATOM 309 CA SER A 22 7.885 -19.627 5.717 1.00 0.00 C ATOM 310 C SER A 22 6.521 -20.328 5.703 1.00 0.00 C ATOM 311 O SER A 22 6.227 -21.157 6.541 1.00 0.00 O ATOM 312 CB SER A 22 9.014 -20.658 5.727 1.00 0.00 C ATOM 313 OG SER A 22 9.260 -21.102 4.400 1.00 0.00 O ATOM 0 H SER A 22 7.443 -19.070 7.740 1.00 0.00 H new ATOM 0 HA SER A 22 7.910 -18.989 4.833 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.918 -20.219 6.149 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.744 -21.503 6.361 1.00 0.00 H new ATOM 0 HG SER A 22 9.985 -21.762 4.405 1.00 0.00 H new ATOM 319 N TYR A 23 5.693 -20.006 4.743 1.00 0.00 N ATOM 320 CA TYR A 23 4.350 -20.654 4.649 1.00 0.00 C ATOM 321 C TYR A 23 4.400 -21.824 3.659 1.00 0.00 C ATOM 322 O TYR A 23 5.266 -21.885 2.809 1.00 0.00 O ATOM 323 CB TYR A 23 3.428 -19.560 4.118 1.00 0.00 C ATOM 324 CG TYR A 23 3.809 -19.246 2.689 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.253 -19.986 1.638 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.720 -18.219 2.415 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.610 -19.699 0.314 1.00 0.00 C ATOM 328 CE2 TYR A 23 5.075 -17.932 1.091 1.00 0.00 C ATOM 329 CZ TYR A 23 4.520 -18.672 0.040 1.00 0.00 C ATOM 330 OH TYR A 23 4.870 -18.389 -1.264 1.00 0.00 O ATOM 0 H TYR A 23 5.890 -19.318 4.016 1.00 0.00 H new ATOM 0 HA TYR A 23 4.013 -21.053 5.606 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.389 -19.886 4.168 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.511 -18.665 4.735 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.549 -20.778 1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.149 -17.648 3.225 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.182 -20.271 -0.496 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.777 -17.139 0.881 1.00 0.00 H new ATOM 0 HH TYR A 23 5.511 -17.648 -1.277 1.00 0.00 H new ATOM 340 N PHE A 24 3.476 -22.747 3.746 1.00 0.00 N ATOM 341 CA PHE A 24 3.488 -23.888 2.782 1.00 0.00 C ATOM 342 C PHE A 24 2.066 -24.398 2.531 1.00 0.00 C ATOM 343 O PHE A 24 1.233 -24.409 3.416 1.00 0.00 O ATOM 344 CB PHE A 24 4.362 -24.968 3.436 1.00 0.00 C ATOM 345 CG PHE A 24 3.557 -25.783 4.423 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.639 -26.741 3.965 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.736 -25.588 5.798 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.904 -27.499 4.883 1.00 0.00 C ATOM 349 CE2 PHE A 24 3.001 -26.348 6.715 1.00 0.00 C ATOM 350 CZ PHE A 24 2.086 -27.303 6.257 1.00 0.00 C ATOM 0 H PHE A 24 2.723 -22.761 4.434 1.00 0.00 H new ATOM 0 HA PHE A 24 3.882 -23.596 1.809 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.775 -25.622 2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.205 -24.501 3.945 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.500 -26.893 2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.442 -24.851 6.151 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.196 -28.235 4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.140 -26.198 7.775 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.519 -27.890 6.965 1.00 0.00 H new ATOM 360 N GLU A 25 1.788 -24.830 1.332 1.00 0.00 N ATOM 361 CA GLU A 25 0.424 -25.348 1.025 1.00 0.00 C ATOM 362 C GLU A 25 0.378 -26.854 1.285 1.00 0.00 C ATOM 363 O GLU A 25 1.350 -27.556 1.087 1.00 0.00 O ATOM 364 CB GLU A 25 0.207 -25.048 -0.458 1.00 0.00 C ATOM 365 CG GLU A 25 0.098 -23.536 -0.661 1.00 0.00 C ATOM 366 CD GLU A 25 -1.352 -23.167 -0.982 1.00 0.00 C ATOM 367 OE1 GLU A 25 -2.217 -23.999 -0.764 1.00 0.00 O ATOM 368 OE2 GLU A 25 -1.572 -22.057 -1.438 1.00 0.00 O ATOM 0 H GLU A 25 2.445 -24.847 0.552 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.348 -24.889 1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.034 -25.446 -1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.700 -25.539 -0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.427 -23.013 0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.753 -23.219 -1.472 1.00 0.00 H new ATOM 375 N THR A 26 -0.738 -27.359 1.731 1.00 0.00 N ATOM 376 CA THR A 26 -0.829 -28.821 2.004 1.00 0.00 C ATOM 377 C THR A 26 -0.926 -29.599 0.691 1.00 0.00 C ATOM 378 O THR A 26 -0.976 -29.028 -0.379 1.00 0.00 O ATOM 379 CB THR A 26 -2.105 -28.995 2.831 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.238 -28.838 1.989 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.143 -27.947 3.944 1.00 0.00 C ATOM 0 H THR A 26 -1.587 -26.826 1.918 1.00 0.00 H new ATOM 0 HA THR A 26 0.048 -29.197 2.530 1.00 0.00 H new ATOM 0 HB THR A 26 -2.117 -29.991 3.275 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.056 -28.951 2.517 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.052 -28.073 4.531 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.274 -28.071 4.590 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.130 -26.949 3.505 1.00 0.00 H new ATOM 389 N SER A 27 -0.947 -30.900 0.767 1.00 0.00 N ATOM 390 CA SER A 27 -1.035 -31.720 -0.474 1.00 0.00 C ATOM 391 C SER A 27 -2.443 -31.642 -1.068 1.00 0.00 C ATOM 392 O SER A 27 -3.430 -31.710 -0.363 1.00 0.00 O ATOM 393 CB SER A 27 -0.730 -33.146 -0.021 1.00 0.00 C ATOM 394 OG SER A 27 0.478 -33.157 0.728 1.00 0.00 O ATOM 0 H SER A 27 -0.907 -31.432 1.636 1.00 0.00 H new ATOM 0 HA SER A 27 -0.347 -31.374 -1.245 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.550 -33.529 0.586 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.640 -33.802 -0.886 1.00 0.00 H new ATOM 0 HG SER A 27 0.673 -34.072 1.020 1.00 0.00 H new ATOM 400 N SER A 28 -2.543 -31.509 -2.363 1.00 0.00 N ATOM 401 CA SER A 28 -3.887 -31.438 -3.002 1.00 0.00 C ATOM 402 C SER A 28 -4.589 -32.795 -2.908 1.00 0.00 C ATOM 403 O SER A 28 -5.733 -32.943 -3.290 1.00 0.00 O ATOM 404 CB SER A 28 -3.614 -31.071 -4.461 1.00 0.00 C ATOM 405 OG SER A 28 -2.898 -32.125 -5.088 1.00 0.00 O ATOM 0 H SER A 28 -1.753 -31.447 -3.005 1.00 0.00 H new ATOM 0 HA SER A 28 -4.538 -30.711 -2.516 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.553 -30.893 -4.984 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.040 -30.146 -4.513 1.00 0.00 H new ATOM 0 HG SER A 28 -2.724 -31.891 -6.024 1.00 0.00 H new ATOM 411 N GLU A 29 -3.912 -33.787 -2.399 1.00 0.00 N ATOM 412 CA GLU A 29 -4.533 -35.134 -2.275 1.00 0.00 C ATOM 413 C GLU A 29 -5.586 -35.128 -1.163 1.00 0.00 C ATOM 414 O GLU A 29 -6.478 -35.952 -1.135 1.00 0.00 O ATOM 415 CB GLU A 29 -3.376 -36.062 -1.911 1.00 0.00 C ATOM 416 CG GLU A 29 -2.873 -36.769 -3.170 1.00 0.00 C ATOM 417 CD GLU A 29 -1.543 -37.463 -2.869 1.00 0.00 C ATOM 418 OE1 GLU A 29 -1.192 -37.547 -1.704 1.00 0.00 O ATOM 419 OE2 GLU A 29 -0.899 -37.898 -3.810 1.00 0.00 O ATOM 0 H GLU A 29 -2.951 -33.721 -2.062 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.038 -35.446 -3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.568 -35.491 -1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.703 -36.796 -1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.608 -37.499 -3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.745 -36.049 -3.978 1.00 0.00 H new ATOM 426 N CYS A 30 -5.488 -34.204 -0.248 1.00 0.00 N ATOM 427 CA CYS A 30 -6.483 -34.144 0.861 1.00 0.00 C ATOM 428 C CYS A 30 -7.848 -33.702 0.323 1.00 0.00 C ATOM 429 O CYS A 30 -7.936 -32.925 -0.608 1.00 0.00 O ATOM 430 CB CYS A 30 -5.930 -33.098 1.830 1.00 0.00 C ATOM 431 SG CYS A 30 -5.315 -33.918 3.323 1.00 0.00 S ATOM 0 H CYS A 30 -4.762 -33.488 -0.220 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.626 -35.112 1.340 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.126 -32.536 1.354 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.709 -32.382 2.091 1.00 0.00 H new ATOM 436 N SER A 31 -8.913 -34.185 0.904 1.00 0.00 N ATOM 437 CA SER A 31 -10.270 -33.787 0.428 1.00 0.00 C ATOM 438 C SER A 31 -10.466 -32.279 0.596 1.00 0.00 C ATOM 439 O SER A 31 -11.408 -31.702 0.091 1.00 0.00 O ATOM 440 CB SER A 31 -11.248 -34.561 1.313 1.00 0.00 C ATOM 441 OG SER A 31 -12.578 -34.314 0.879 1.00 0.00 O ATOM 0 H SER A 31 -8.902 -34.838 1.688 1.00 0.00 H new ATOM 0 HA SER A 31 -10.419 -34.010 -0.628 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.031 -35.628 1.266 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.132 -34.258 2.353 1.00 0.00 H new ATOM 0 HG SER A 31 -13.205 -34.811 1.445 1.00 0.00 H new ATOM 447 N LYS A 32 -9.578 -31.642 1.302 1.00 0.00 N ATOM 448 CA LYS A 32 -9.695 -30.172 1.512 1.00 0.00 C ATOM 449 C LYS A 32 -8.298 -29.557 1.638 1.00 0.00 C ATOM 450 O LYS A 32 -7.556 -29.890 2.543 1.00 0.00 O ATOM 451 CB LYS A 32 -10.474 -30.020 2.820 1.00 0.00 C ATOM 452 CG LYS A 32 -10.399 -28.567 3.298 1.00 0.00 C ATOM 453 CD LYS A 32 -10.818 -28.490 4.769 1.00 0.00 C ATOM 454 CE LYS A 32 -12.111 -27.680 4.888 1.00 0.00 C ATOM 455 NZ LYS A 32 -12.620 -27.965 6.260 1.00 0.00 N ATOM 0 H LYS A 32 -8.770 -32.078 1.746 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.195 -29.667 0.685 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.514 -30.311 2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.062 -30.685 3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.385 -28.185 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.050 -27.939 2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.966 -29.493 5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.029 -28.025 5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.924 -26.615 4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.834 -27.978 4.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.506 -27.444 6.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.796 -28.985 6.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.913 -27.665 6.962 1.00 0.00 H new ATOM 469 N PRO A 33 -7.983 -28.684 0.722 1.00 0.00 N ATOM 470 CA PRO A 33 -6.657 -28.021 0.727 1.00 0.00 C ATOM 471 C PRO A 33 -6.548 -27.051 1.905 1.00 0.00 C ATOM 472 O PRO A 33 -7.427 -26.969 2.739 1.00 0.00 O ATOM 473 CB PRO A 33 -6.621 -27.273 -0.602 1.00 0.00 C ATOM 474 CG PRO A 33 -8.057 -27.059 -0.959 1.00 0.00 C ATOM 475 CD PRO A 33 -8.820 -28.229 -0.394 1.00 0.00 C ATOM 0 HA PRO A 33 -5.829 -28.722 0.835 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.091 -26.325 -0.508 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.105 -27.852 -1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.424 -26.120 -0.544 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.183 -27.000 -2.040 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.813 -27.933 -0.055 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.957 -29.014 -1.138 1.00 0.00 H new ATOM 483 N GLY A 34 -5.473 -26.320 1.977 1.00 0.00 N ATOM 484 CA GLY A 34 -5.303 -25.358 3.095 1.00 0.00 C ATOM 485 C GLY A 34 -3.864 -24.846 3.098 1.00 0.00 C ATOM 486 O GLY A 34 -2.988 -25.422 2.485 1.00 0.00 O ATOM 0 H GLY A 34 -4.704 -26.348 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.998 -24.526 2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.533 -25.841 4.045 1.00 0.00 H new ATOM 490 N VAL A 35 -3.614 -23.768 3.781 1.00 0.00 N ATOM 491 CA VAL A 35 -2.232 -23.215 3.824 1.00 0.00 C ATOM 492 C VAL A 35 -1.778 -23.072 5.277 1.00 0.00 C ATOM 493 O VAL A 35 -2.408 -22.400 6.069 1.00 0.00 O ATOM 494 CB VAL A 35 -2.336 -21.845 3.146 1.00 0.00 C ATOM 495 CG1 VAL A 35 -1.178 -20.947 3.592 1.00 0.00 C ATOM 496 CG2 VAL A 35 -2.280 -22.025 1.628 1.00 0.00 C ATOM 0 H VAL A 35 -4.308 -23.243 4.314 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.505 -23.856 3.326 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.279 -21.378 3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.262 -19.976 3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.216 -20.814 4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.231 -21.411 3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.354 -21.052 1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.337 -22.497 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.109 -22.655 1.305 1.00 0.00 H new ATOM 506 N ILE A 36 -0.686 -23.684 5.633 1.00 0.00 N ATOM 507 CA ILE A 36 -0.198 -23.563 7.032 1.00 0.00 C ATOM 508 C ILE A 36 0.996 -22.611 7.072 1.00 0.00 C ATOM 509 O ILE A 36 1.963 -22.787 6.359 1.00 0.00 O ATOM 510 CB ILE A 36 0.212 -24.983 7.442 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.030 -25.745 7.907 1.00 0.00 C ATOM 512 CG2 ILE A 36 1.235 -24.924 8.585 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.617 -27.010 8.664 1.00 0.00 C ATOM 0 H ILE A 36 -0.112 -24.261 5.018 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.952 -23.161 7.709 1.00 0.00 H new ATOM 0 HB ILE A 36 0.662 -25.491 6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.637 -25.108 8.551 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.646 -26.010 7.048 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.521 -25.936 8.870 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.118 -24.377 8.255 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.793 -24.417 9.443 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.508 -27.546 8.991 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.029 -27.651 8.008 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.020 -26.735 9.533 1.00 0.00 H new ATOM 525 N PHE A 37 0.948 -21.610 7.902 1.00 0.00 N ATOM 526 CA PHE A 37 2.095 -20.664 7.976 1.00 0.00 C ATOM 527 C PHE A 37 3.092 -21.164 9.025 1.00 0.00 C ATOM 528 O PHE A 37 2.712 -21.598 10.095 1.00 0.00 O ATOM 529 CB PHE A 37 1.497 -19.323 8.413 1.00 0.00 C ATOM 530 CG PHE A 37 0.768 -18.667 7.259 1.00 0.00 C ATOM 531 CD1 PHE A 37 1.450 -17.794 6.400 1.00 0.00 C ATOM 532 CD2 PHE A 37 -0.596 -18.916 7.062 1.00 0.00 C ATOM 533 CE1 PHE A 37 0.768 -17.174 5.346 1.00 0.00 C ATOM 534 CE2 PHE A 37 -1.275 -18.297 6.006 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.594 -17.426 5.149 1.00 0.00 C ATOM 0 H PHE A 37 0.170 -21.405 8.529 1.00 0.00 H new ATOM 0 HA PHE A 37 2.621 -20.575 7.026 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.809 -19.478 9.244 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.288 -18.665 8.772 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.502 -17.600 6.551 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.124 -19.586 7.725 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.294 -16.501 4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.326 -18.492 5.853 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.120 -16.948 4.335 1.00 0.00 H new ATOM 545 N LEU A 38 4.360 -21.107 8.734 1.00 0.00 N ATOM 546 CA LEU A 38 5.367 -21.578 9.724 1.00 0.00 C ATOM 547 C LEU A 38 5.969 -20.374 10.439 1.00 0.00 C ATOM 548 O LEU A 38 6.528 -19.498 9.816 1.00 0.00 O ATOM 549 CB LEU A 38 6.428 -22.302 8.896 1.00 0.00 C ATOM 550 CG LEU A 38 6.995 -23.473 9.700 1.00 0.00 C ATOM 551 CD1 LEU A 38 7.365 -22.994 11.106 1.00 0.00 C ATOM 552 CD2 LEU A 38 5.946 -24.581 9.798 1.00 0.00 C ATOM 0 H LEU A 38 4.743 -20.756 7.856 1.00 0.00 H new ATOM 0 HA LEU A 38 4.941 -22.231 10.486 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.992 -22.664 7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.227 -21.612 8.627 1.00 0.00 H new ATOM 0 HG LEU A 38 7.884 -23.859 9.202 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.769 -23.828 11.680 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.114 -22.205 11.036 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.476 -22.608 11.604 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.350 -25.415 10.371 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.056 -24.196 10.296 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.683 -24.922 8.797 1.00 0.00 H new ATOM 564 N THR A 39 5.847 -20.311 11.737 1.00 0.00 N ATOM 565 CA THR A 39 6.403 -19.141 12.476 1.00 0.00 C ATOM 566 C THR A 39 7.832 -19.429 12.933 1.00 0.00 C ATOM 567 O THR A 39 8.204 -20.558 13.180 1.00 0.00 O ATOM 568 CB THR A 39 5.490 -18.947 13.693 1.00 0.00 C ATOM 569 OG1 THR A 39 5.779 -19.943 14.662 1.00 0.00 O ATOM 570 CG2 THR A 39 4.020 -19.053 13.276 1.00 0.00 C ATOM 0 H THR A 39 5.389 -21.015 12.316 1.00 0.00 H new ATOM 0 HA THR A 39 6.437 -18.251 11.848 1.00 0.00 H new ATOM 0 HB THR A 39 5.667 -17.958 14.115 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.600 -19.589 15.558 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.383 -18.913 14.149 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.795 -18.284 12.536 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.834 -20.037 12.845 1.00 0.00 H new ATOM 578 N LYS A 40 8.632 -18.408 13.052 1.00 0.00 N ATOM 579 CA LYS A 40 10.039 -18.611 13.501 1.00 0.00 C ATOM 580 C LYS A 40 10.060 -19.129 14.943 1.00 0.00 C ATOM 581 O LYS A 40 10.962 -19.835 15.347 1.00 0.00 O ATOM 582 CB LYS A 40 10.678 -17.225 13.423 1.00 0.00 C ATOM 583 CG LYS A 40 12.058 -17.330 12.770 1.00 0.00 C ATOM 584 CD LYS A 40 12.732 -15.958 12.786 1.00 0.00 C ATOM 585 CE LYS A 40 14.163 -16.099 13.308 1.00 0.00 C ATOM 586 NZ LYS A 40 14.973 -16.448 12.108 1.00 0.00 N ATOM 0 H LYS A 40 8.374 -17.441 12.858 1.00 0.00 H new ATOM 0 HA LYS A 40 10.570 -19.342 12.891 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.042 -16.553 12.847 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.769 -16.799 14.422 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.671 -18.055 13.305 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.961 -17.688 11.745 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.740 -15.533 11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.169 -15.272 13.418 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.511 -15.172 13.764 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.231 -16.875 14.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.969 -16.562 12.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.623 -17.338 11.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.893 -15.688 11.402 1.00 0.00 H new ATOM 600 N LYS A 41 9.070 -18.781 15.720 1.00 0.00 N ATOM 601 CA LYS A 41 9.028 -19.249 17.137 1.00 0.00 C ATOM 602 C LYS A 41 8.738 -20.751 17.200 1.00 0.00 C ATOM 603 O LYS A 41 8.706 -21.343 18.261 1.00 0.00 O ATOM 604 CB LYS A 41 7.889 -18.458 17.782 1.00 0.00 C ATOM 605 CG LYS A 41 8.403 -17.760 19.043 1.00 0.00 C ATOM 606 CD LYS A 41 8.633 -18.799 20.141 1.00 0.00 C ATOM 607 CE LYS A 41 10.048 -18.647 20.701 1.00 0.00 C ATOM 608 NZ LYS A 41 10.127 -19.636 21.813 1.00 0.00 N ATOM 0 H LYS A 41 8.287 -18.192 15.435 1.00 0.00 H new ATOM 0 HA LYS A 41 9.978 -19.091 17.647 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.500 -17.722 17.079 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.065 -19.126 18.033 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.332 -17.232 18.827 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.683 -17.014 19.378 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.900 -18.670 20.937 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.495 -19.803 19.740 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.799 -18.850 19.938 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.224 -17.633 21.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.070 -19.593 22.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.404 -19.414 22.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.962 -20.592 21.439 1.00 0.00 H new ATOM 622 N GLY A 42 8.522 -21.372 16.074 1.00 0.00 N ATOM 623 CA GLY A 42 8.231 -22.833 16.074 1.00 0.00 C ATOM 624 C GLY A 42 6.739 -23.055 16.333 1.00 0.00 C ATOM 625 O GLY A 42 6.354 -23.718 17.275 1.00 0.00 O ATOM 0 H GLY A 42 8.534 -20.931 15.154 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.514 -23.271 15.117 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.823 -23.333 16.841 1.00 0.00 H new ATOM 629 N ARG A 43 5.896 -22.503 15.504 1.00 0.00 N ATOM 630 CA ARG A 43 4.429 -22.680 15.703 1.00 0.00 C ATOM 631 C ARG A 43 3.714 -22.637 14.349 1.00 0.00 C ATOM 632 O ARG A 43 3.846 -21.693 13.599 1.00 0.00 O ATOM 633 CB ARG A 43 4.008 -21.499 16.579 1.00 0.00 C ATOM 634 CG ARG A 43 2.892 -21.938 17.528 1.00 0.00 C ATOM 635 CD ARG A 43 2.017 -20.731 17.878 1.00 0.00 C ATOM 636 NE ARG A 43 2.818 -19.954 18.865 1.00 0.00 N ATOM 637 CZ ARG A 43 2.504 -19.988 20.132 1.00 0.00 C ATOM 638 NH1 ARG A 43 2.757 -21.055 20.839 1.00 0.00 N ATOM 639 NH2 ARG A 43 1.934 -18.955 20.691 1.00 0.00 N ATOM 0 H ARG A 43 6.159 -21.937 14.697 1.00 0.00 H new ATOM 0 HA ARG A 43 4.178 -23.635 16.165 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.862 -21.134 17.150 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.665 -20.674 15.955 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.288 -22.716 17.061 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.319 -22.367 18.435 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.793 -20.135 16.993 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.063 -21.044 18.302 1.00 0.00 H new ATOM 0 HE ARG A 43 3.612 -19.395 18.551 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.200 -21.863 20.402 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.512 -21.081 21.829 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.734 -18.122 20.138 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.689 -18.981 21.681 1.00 0.00 H new ATOM 653 N GLN A 44 2.968 -23.656 14.027 1.00 0.00 N ATOM 654 CA GLN A 44 2.257 -23.670 12.716 1.00 0.00 C ATOM 655 C GLN A 44 0.840 -23.111 12.864 1.00 0.00 C ATOM 656 O GLN A 44 0.224 -23.215 13.907 1.00 0.00 O ATOM 657 CB GLN A 44 2.210 -25.139 12.296 1.00 0.00 C ATOM 658 CG GLN A 44 1.339 -25.928 13.278 1.00 0.00 C ATOM 659 CD GLN A 44 1.364 -27.410 12.903 1.00 0.00 C ATOM 660 OE1 GLN A 44 1.152 -28.264 13.740 1.00 0.00 O ATOM 661 NE2 GLN A 44 1.620 -27.754 11.670 1.00 0.00 N ATOM 0 H GLN A 44 2.819 -24.478 14.612 1.00 0.00 H new ATOM 0 HA GLN A 44 2.764 -23.051 11.976 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.808 -25.226 11.287 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.218 -25.554 12.274 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.706 -25.793 14.296 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.316 -25.553 13.255 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.798 -27.037 10.967 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.642 -28.740 11.410 1.00 0.00 H new ATOM 670 N VAL A 45 0.321 -22.523 11.822 1.00 0.00 N ATOM 671 CA VAL A 45 -1.056 -21.955 11.884 1.00 0.00 C ATOM 672 C VAL A 45 -1.881 -22.473 10.705 1.00 0.00 C ATOM 673 O VAL A 45 -1.350 -22.777 9.658 1.00 0.00 O ATOM 674 CB VAL A 45 -0.863 -20.444 11.777 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.199 -19.743 12.019 1.00 0.00 C ATOM 676 CG2 VAL A 45 0.156 -19.983 12.822 1.00 0.00 C ATOM 0 H VAL A 45 0.794 -22.411 10.925 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.584 -22.234 12.796 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.497 -20.193 10.781 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.063 -18.664 11.943 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.922 -20.071 11.273 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.566 -19.993 13.014 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.293 -18.904 12.745 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.207 -20.232 13.819 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.108 -20.483 12.647 1.00 0.00 H new ATOM 686 N CYS A 46 -3.176 -22.569 10.855 1.00 0.00 N ATOM 687 CA CYS A 46 -4.017 -23.064 9.722 1.00 0.00 C ATOM 688 C CYS A 46 -4.703 -21.884 9.035 1.00 0.00 C ATOM 689 O CYS A 46 -5.298 -21.046 9.679 1.00 0.00 O ATOM 690 CB CYS A 46 -5.058 -23.986 10.361 1.00 0.00 C ATOM 691 SG CYS A 46 -4.394 -25.666 10.504 1.00 0.00 S ATOM 0 H CYS A 46 -3.686 -22.329 11.705 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.428 -23.585 8.967 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.333 -23.610 11.346 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.966 -23.995 9.758 1.00 0.00 H new ATOM 696 N ALA A 47 -4.630 -21.804 7.736 1.00 0.00 N ATOM 697 CA ALA A 47 -5.287 -20.666 7.033 1.00 0.00 C ATOM 698 C ALA A 47 -6.078 -21.162 5.820 1.00 0.00 C ATOM 699 O ALA A 47 -5.788 -22.197 5.254 1.00 0.00 O ATOM 700 CB ALA A 47 -4.145 -19.758 6.589 1.00 0.00 C ATOM 0 H ALA A 47 -4.148 -22.471 7.134 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.996 -20.147 7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.551 -18.894 6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.587 -19.421 7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.480 -20.309 5.924 1.00 0.00 H new ATOM 706 N LYS A 48 -7.078 -20.427 5.422 1.00 0.00 N ATOM 707 CA LYS A 48 -7.898 -20.842 4.247 1.00 0.00 C ATOM 708 C LYS A 48 -7.042 -20.843 2.977 1.00 0.00 C ATOM 709 O LYS A 48 -5.880 -20.490 3.010 1.00 0.00 O ATOM 710 CB LYS A 48 -9.001 -19.786 4.145 1.00 0.00 C ATOM 711 CG LYS A 48 -10.352 -20.421 4.479 1.00 0.00 C ATOM 712 CD LYS A 48 -11.445 -19.771 3.627 1.00 0.00 C ATOM 713 CE LYS A 48 -12.567 -19.260 4.533 1.00 0.00 C ATOM 714 NZ LYS A 48 -11.941 -18.178 5.343 1.00 0.00 N ATOM 0 H LYS A 48 -7.365 -19.552 5.861 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.301 -21.848 4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.795 -18.963 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.024 -19.366 3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.318 -21.494 4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.575 -20.291 5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.027 -18.947 3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.841 -20.493 2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.406 -18.881 3.949 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.955 -20.056 5.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.623 -17.403 5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.664 -18.555 6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.099 -17.819 4.850 1.00 0.00 H new ATOM 728 N PRO A 49 -7.655 -21.238 1.895 1.00 0.00 N ATOM 729 CA PRO A 49 -6.948 -21.282 0.591 1.00 0.00 C ATOM 730 C PRO A 49 -6.704 -19.861 0.079 1.00 0.00 C ATOM 731 O PRO A 49 -5.662 -19.555 -0.465 1.00 0.00 O ATOM 732 CB PRO A 49 -7.918 -22.028 -0.318 1.00 0.00 C ATOM 733 CG PRO A 49 -9.265 -21.809 0.296 1.00 0.00 C ATOM 734 CD PRO A 49 -9.050 -21.676 1.781 1.00 0.00 C ATOM 0 HA PRO A 49 -5.971 -21.763 0.645 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.881 -21.643 -1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.675 -23.089 -0.369 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.733 -20.912 -0.109 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.931 -22.643 0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.734 -20.950 2.221 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.215 -22.623 2.295 1.00 0.00 H new ATOM 742 N SER A 50 -7.661 -18.992 0.251 1.00 0.00 N ATOM 743 CA SER A 50 -7.494 -17.589 -0.221 1.00 0.00 C ATOM 744 C SER A 50 -7.993 -16.613 0.846 1.00 0.00 C ATOM 745 O SER A 50 -8.549 -15.577 0.542 1.00 0.00 O ATOM 746 CB SER A 50 -8.350 -17.490 -1.484 1.00 0.00 C ATOM 747 OG SER A 50 -8.443 -18.768 -2.094 1.00 0.00 O ATOM 0 H SER A 50 -8.555 -19.194 0.700 1.00 0.00 H new ATOM 0 HA SER A 50 -6.451 -17.339 -0.418 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.345 -17.121 -1.234 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.910 -16.775 -2.179 1.00 0.00 H new ATOM 0 HG SER A 50 -8.993 -18.705 -2.903 1.00 0.00 H new ATOM 753 N GLY A 51 -7.801 -16.939 2.096 1.00 0.00 N ATOM 754 CA GLY A 51 -8.264 -16.032 3.183 1.00 0.00 C ATOM 755 C GLY A 51 -7.915 -14.587 2.826 1.00 0.00 C ATOM 756 O GLY A 51 -6.987 -14.337 2.082 1.00 0.00 O ATOM 0 H GLY A 51 -7.343 -17.795 2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.340 -16.134 3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.793 -16.308 4.127 1.00 0.00 H new ATOM 760 N PRO A 52 -8.675 -13.679 3.373 1.00 0.00 N ATOM 761 CA PRO A 52 -8.451 -12.237 3.111 1.00 0.00 C ATOM 762 C PRO A 52 -7.142 -11.774 3.754 1.00 0.00 C ATOM 763 O PRO A 52 -7.107 -11.386 4.905 1.00 0.00 O ATOM 764 CB PRO A 52 -9.655 -11.563 3.765 1.00 0.00 C ATOM 765 CG PRO A 52 -10.109 -12.529 4.811 1.00 0.00 C ATOM 766 CD PRO A 52 -9.804 -13.906 4.284 1.00 0.00 C ATOM 0 HA PRO A 52 -8.364 -12.001 2.051 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.382 -10.604 4.204 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.443 -11.368 3.038 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.592 -12.351 5.754 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.175 -12.416 5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.540 -14.594 5.087 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.660 -14.336 3.764 1.00 0.00 H new ATOM 774 N GLY A 53 -6.065 -11.815 3.019 1.00 0.00 N ATOM 775 CA GLY A 53 -4.759 -11.379 3.584 1.00 0.00 C ATOM 776 C GLY A 53 -3.831 -12.588 3.721 1.00 0.00 C ATOM 777 O GLY A 53 -2.629 -12.451 3.805 1.00 0.00 O ATOM 0 H GLY A 53 -6.034 -12.132 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.303 -10.629 2.937 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.910 -10.911 4.557 1.00 0.00 H new ATOM 781 N VAL A 54 -4.380 -13.771 3.740 1.00 0.00 N ATOM 782 CA VAL A 54 -3.528 -14.990 3.868 1.00 0.00 C ATOM 783 C VAL A 54 -2.579 -15.088 2.676 1.00 0.00 C ATOM 784 O VAL A 54 -1.400 -15.342 2.829 1.00 0.00 O ATOM 785 CB VAL A 54 -4.520 -16.157 3.880 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.801 -17.455 3.506 1.00 0.00 C ATOM 787 CG2 VAL A 54 -5.126 -16.294 5.278 1.00 0.00 C ATOM 0 H VAL A 54 -5.382 -13.948 3.672 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.906 -14.980 4.763 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.311 -15.964 3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.512 -18.281 3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.371 -17.359 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.006 -17.651 4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.832 -17.124 5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.333 -16.483 6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.645 -15.372 5.541 1.00 0.00 H new ATOM 797 N GLN A 55 -3.076 -14.879 1.492 1.00 0.00 N ATOM 798 CA GLN A 55 -2.186 -14.951 0.302 1.00 0.00 C ATOM 799 C GLN A 55 -1.208 -13.783 0.346 1.00 0.00 C ATOM 800 O GLN A 55 -0.091 -13.873 -0.122 1.00 0.00 O ATOM 801 CB GLN A 55 -3.115 -14.841 -0.908 1.00 0.00 C ATOM 802 CG GLN A 55 -2.386 -15.335 -2.160 1.00 0.00 C ATOM 803 CD GLN A 55 -2.391 -16.866 -2.184 1.00 0.00 C ATOM 804 OE1 GLN A 55 -3.357 -17.487 -1.789 1.00 0.00 O ATOM 805 NE2 GLN A 55 -1.347 -17.503 -2.636 1.00 0.00 N ATOM 0 H GLN A 55 -4.053 -14.663 1.296 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.601 -15.870 0.263 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.016 -15.432 -0.743 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.432 -13.807 -1.043 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.872 -14.945 -3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.361 -14.964 -2.167 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.536 -16.982 -2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.342 -18.523 -2.658 1.00 0.00 H new ATOM 814 N ASP A 56 -1.616 -12.691 0.930 1.00 0.00 N ATOM 815 CA ASP A 56 -0.703 -11.523 1.033 1.00 0.00 C ATOM 816 C ASP A 56 0.456 -11.879 1.961 1.00 0.00 C ATOM 817 O ASP A 56 1.582 -11.473 1.751 1.00 0.00 O ATOM 818 CB ASP A 56 -1.555 -10.402 1.631 1.00 0.00 C ATOM 819 CG ASP A 56 -0.846 -9.061 1.430 1.00 0.00 C ATOM 820 OD1 ASP A 56 0.078 -9.015 0.634 1.00 0.00 O ATOM 821 OD2 ASP A 56 -1.239 -8.104 2.075 1.00 0.00 O ATOM 0 H ASP A 56 -2.541 -12.559 1.339 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.278 -11.228 0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.535 -10.382 1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.720 -10.583 2.693 1.00 0.00 H new ATOM 826 N CYS A 57 0.192 -12.654 2.981 1.00 0.00 N ATOM 827 CA CYS A 57 1.282 -13.052 3.911 1.00 0.00 C ATOM 828 C CYS A 57 2.287 -13.927 3.164 1.00 0.00 C ATOM 829 O CYS A 57 3.482 -13.716 3.236 1.00 0.00 O ATOM 830 CB CYS A 57 0.578 -13.830 5.021 1.00 0.00 C ATOM 831 SG CYS A 57 -0.713 -12.781 5.732 1.00 0.00 S ATOM 0 H CYS A 57 -0.730 -13.026 3.207 1.00 0.00 H new ATOM 0 HA CYS A 57 1.839 -12.206 4.314 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.144 -14.747 4.623 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.293 -14.123 5.790 1.00 0.00 H new ATOM 836 N MET A 58 1.813 -14.897 2.429 1.00 0.00 N ATOM 837 CA MET A 58 2.749 -15.765 1.663 1.00 0.00 C ATOM 838 C MET A 58 3.403 -14.957 0.540 1.00 0.00 C ATOM 839 O MET A 58 4.476 -15.283 0.072 1.00 0.00 O ATOM 840 CB MET A 58 1.886 -16.875 1.074 1.00 0.00 C ATOM 841 CG MET A 58 0.961 -17.440 2.153 1.00 0.00 C ATOM 842 SD MET A 58 0.415 -19.097 1.670 1.00 0.00 S ATOM 843 CE MET A 58 0.085 -18.734 -0.072 1.00 0.00 C ATOM 0 H MET A 58 0.824 -15.124 2.327 1.00 0.00 H new ATOM 0 HA MET A 58 3.546 -16.162 2.292 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.296 -16.488 0.243 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.519 -17.667 0.674 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.482 -17.481 3.109 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.099 -16.786 2.288 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.625 -19.461 -0.467 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.334 -17.732 -0.162 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.015 -18.791 -0.638 1.00 0.00 H new ATOM 853 N LYS A 59 2.768 -13.900 0.108 1.00 0.00 N ATOM 854 CA LYS A 59 3.360 -13.074 -0.980 1.00 0.00 C ATOM 855 C LYS A 59 4.648 -12.429 -0.473 1.00 0.00 C ATOM 856 O LYS A 59 5.684 -12.502 -1.103 1.00 0.00 O ATOM 857 CB LYS A 59 2.305 -12.011 -1.292 1.00 0.00 C ATOM 858 CG LYS A 59 2.010 -12.008 -2.793 1.00 0.00 C ATOM 859 CD LYS A 59 0.512 -11.792 -3.019 1.00 0.00 C ATOM 860 CE LYS A 59 0.204 -11.887 -4.515 1.00 0.00 C ATOM 861 NZ LYS A 59 -0.196 -10.507 -4.912 1.00 0.00 N ATOM 0 H LYS A 59 1.868 -13.575 0.461 1.00 0.00 H new ATOM 0 HA LYS A 59 3.612 -13.655 -1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.392 -12.214 -0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.659 -11.029 -0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.580 -11.220 -3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.323 -12.953 -3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.061 -12.539 -2.470 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.212 -10.816 -2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.075 -12.223 -5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.596 -12.602 -4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.423 -10.490 -5.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.032 -10.217 -4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.588 -9.850 -4.722 1.00 0.00 H new ATOM 875 N LYS A 60 4.592 -11.808 0.671 1.00 0.00 N ATOM 876 CA LYS A 60 5.812 -11.172 1.235 1.00 0.00 C ATOM 877 C LYS A 60 6.807 -12.253 1.667 1.00 0.00 C ATOM 878 O LYS A 60 7.999 -12.024 1.730 1.00 0.00 O ATOM 879 CB LYS A 60 5.323 -10.377 2.446 1.00 0.00 C ATOM 880 CG LYS A 60 5.497 -8.882 2.177 1.00 0.00 C ATOM 881 CD LYS A 60 6.925 -8.463 2.534 1.00 0.00 C ATOM 882 CE LYS A 60 6.884 -7.214 3.417 1.00 0.00 C ATOM 883 NZ LYS A 60 7.427 -6.124 2.558 1.00 0.00 N ATOM 0 H LYS A 60 3.751 -11.714 1.241 1.00 0.00 H new ATOM 0 HA LYS A 60 6.322 -10.534 0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.275 -10.602 2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.884 -10.665 3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.294 -8.664 1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.780 -8.310 2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.434 -9.274 3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.494 -8.261 1.626 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.868 -6.992 3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.485 -7.345 4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.432 -5.231 3.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.398 -6.360 2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.830 -6.018 1.713 1.00 0.00 H new ATOM 897 N LEU A 61 6.326 -13.432 1.969 1.00 0.00 N ATOM 898 CA LEU A 61 7.246 -14.524 2.397 1.00 0.00 C ATOM 899 C LEU A 61 7.980 -15.107 1.187 1.00 0.00 C ATOM 900 O LEU A 61 8.734 -16.053 1.305 1.00 0.00 O ATOM 901 CB LEU A 61 6.341 -15.578 3.036 1.00 0.00 C ATOM 902 CG LEU A 61 6.589 -15.618 4.546 1.00 0.00 C ATOM 903 CD1 LEU A 61 6.589 -14.193 5.105 1.00 0.00 C ATOM 904 CD2 LEU A 61 5.482 -16.430 5.224 1.00 0.00 C ATOM 0 H LEU A 61 5.338 -13.684 1.937 1.00 0.00 H new ATOM 0 HA LEU A 61 8.011 -14.170 3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.295 -15.345 2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.539 -16.556 2.598 1.00 0.00 H new ATOM 0 HG LEU A 61 7.555 -16.084 4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.766 -14.224 6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.377 -13.614 4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.624 -13.725 4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.658 -16.459 6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.516 -15.964 5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.482 -17.446 4.829 1.00 0.00 H new