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 180:sc= 0.0234 USER MOD Set 1.2: A 9 SER OG : rot 40:sc= 0.0416 USER MOD Single : A 10 TYR OH : rot 17:sc= 0.616 USER MOD Single : A 12 SER OG : rot 180:sc= 0.114 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot -10:sc= 0.812 USER MOD Single : A 18 SER OG : rot 28:sc= 0.919 USER MOD Single : A 20 MET CE :methyl -129:sc= -8.15! (180deg=-17.8!) 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 84:sc=-0.000897 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -25:sc= 0.2 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 116:sc= -2.77 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.04) USER MOD Single : A 48 LYS NZ :NH3+ -145:sc= -0.0699 (180deg=-1.14) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.49) USER MOD Single : A 58 MET CE :methyl 139:sc= -2.87 (180deg=-5.34!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -146:sc= -0.0505 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 5 0.146 -32.775 6.299 1.00 0.00 N ATOM 61 CA ASP A 5 -0.155 -31.588 7.151 1.00 0.00 C ATOM 62 C ASP A 5 -1.442 -30.904 6.678 1.00 0.00 C ATOM 63 O ASP A 5 -1.427 -29.775 6.231 1.00 0.00 O ATOM 64 CB ASP A 5 1.042 -30.655 6.966 1.00 0.00 C ATOM 65 CG ASP A 5 2.339 -31.435 7.193 1.00 0.00 C ATOM 66 OD1 ASP A 5 2.296 -32.423 7.908 1.00 0.00 O ATOM 67 OD2 ASP A 5 3.352 -31.031 6.648 1.00 0.00 O ATOM 0 HA ASP A 5 -0.306 -31.860 8.196 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.033 -30.229 5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.979 -29.822 7.667 1.00 0.00 H new ATOM 72 N CYS A 6 -2.555 -31.578 6.775 1.00 0.00 N ATOM 73 CA CYS A 6 -3.839 -30.962 6.331 1.00 0.00 C ATOM 74 C CYS A 6 -4.526 -30.265 7.507 1.00 0.00 C ATOM 75 O CYS A 6 -4.597 -30.794 8.599 1.00 0.00 O ATOM 76 CB CYS A 6 -4.687 -32.130 5.833 1.00 0.00 C ATOM 77 SG CYS A 6 -3.726 -33.113 4.656 1.00 0.00 S ATOM 0 H CYS A 6 -2.632 -32.527 7.142 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.689 -30.208 5.558 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.999 -32.751 6.673 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.594 -31.758 5.357 1.00 0.00 H new ATOM 82 N CYS A 7 -5.029 -29.080 7.295 1.00 0.00 N ATOM 83 CA CYS A 7 -5.705 -28.347 8.394 1.00 0.00 C ATOM 84 C CYS A 7 -7.206 -28.645 8.390 1.00 0.00 C ATOM 85 O CYS A 7 -7.837 -28.693 7.353 1.00 0.00 O ATOM 86 CB CYS A 7 -5.453 -26.876 8.076 1.00 0.00 C ATOM 87 SG CYS A 7 -3.818 -26.396 8.685 1.00 0.00 S ATOM 0 H CYS A 7 -4.999 -28.588 6.402 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.333 -28.632 9.378 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.515 -26.710 7.000 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.221 -26.256 8.539 1.00 0.00 H new ATOM 92 N THR A 8 -7.787 -28.833 9.543 1.00 0.00 N ATOM 93 CA THR A 8 -9.250 -29.113 9.603 1.00 0.00 C ATOM 94 C THR A 8 -10.000 -27.822 9.931 1.00 0.00 C ATOM 95 O THR A 8 -11.172 -27.676 9.646 1.00 0.00 O ATOM 96 CB THR A 8 -9.417 -30.133 10.731 1.00 0.00 C ATOM 97 OG1 THR A 8 -8.860 -29.608 11.929 1.00 0.00 O ATOM 98 CG2 THR A 8 -8.701 -31.431 10.359 1.00 0.00 C ATOM 0 H THR A 8 -7.313 -28.805 10.446 1.00 0.00 H new ATOM 0 HA THR A 8 -9.645 -29.491 8.660 1.00 0.00 H new ATOM 0 HB THR A 8 -10.477 -30.337 10.882 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.968 -30.260 12.653 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.821 -32.156 11.164 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.130 -31.833 9.441 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.640 -31.231 10.206 1.00 0.00 H new ATOM 106 N SER A 9 -9.320 -26.881 10.525 1.00 0.00 N ATOM 107 CA SER A 9 -9.967 -25.587 10.875 1.00 0.00 C ATOM 108 C SER A 9 -8.978 -24.442 10.646 1.00 0.00 C ATOM 109 O SER A 9 -7.818 -24.534 10.999 1.00 0.00 O ATOM 110 CB SER A 9 -10.316 -25.706 12.359 1.00 0.00 C ATOM 111 OG SER A 9 -9.217 -26.272 13.057 1.00 0.00 O ATOM 0 H SER A 9 -8.336 -26.954 10.785 1.00 0.00 H new ATOM 0 HA SER A 9 -10.849 -25.381 10.269 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.554 -24.724 12.768 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.202 -26.328 12.487 1.00 0.00 H new ATOM 0 HG SER A 9 -8.380 -25.904 12.704 1.00 0.00 H new ATOM 117 N TYR A 10 -9.419 -23.366 10.057 1.00 0.00 N ATOM 118 CA TYR A 10 -8.492 -22.227 9.809 1.00 0.00 C ATOM 119 C TYR A 10 -8.510 -21.266 11.000 1.00 0.00 C ATOM 120 O TYR A 10 -9.332 -21.379 11.887 1.00 0.00 O ATOM 121 CB TYR A 10 -9.023 -21.554 8.542 1.00 0.00 C ATOM 122 CG TYR A 10 -9.066 -22.574 7.430 1.00 0.00 C ATOM 123 CD1 TYR A 10 -7.876 -22.991 6.819 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.290 -23.113 7.016 1.00 0.00 C ATOM 125 CE1 TYR A 10 -7.910 -23.943 5.795 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.324 -24.068 5.991 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.134 -24.483 5.382 1.00 0.00 C ATOM 128 OH TYR A 10 -9.168 -25.424 4.373 1.00 0.00 O ATOM 0 H TYR A 10 -10.378 -23.226 9.738 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.457 -22.547 9.686 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.019 -21.147 8.720 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.382 -20.718 8.262 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.931 -22.577 7.139 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.208 -22.793 7.487 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.992 -24.262 5.323 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.268 -24.484 5.671 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.271 -25.798 4.244 1.00 0.00 H new ATOM 138 N ILE A 11 -7.605 -20.327 11.032 1.00 0.00 N ATOM 139 CA ILE A 11 -7.567 -19.367 12.173 1.00 0.00 C ATOM 140 C ILE A 11 -8.899 -18.609 12.262 1.00 0.00 C ATOM 141 O ILE A 11 -9.722 -18.676 11.371 1.00 0.00 O ATOM 142 CB ILE A 11 -6.405 -18.407 11.872 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.834 -17.386 10.816 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.189 -19.182 11.359 1.00 0.00 C ATOM 145 CD1 ILE A 11 -7.071 -18.093 9.481 1.00 0.00 C ATOM 0 H ILE A 11 -6.891 -20.182 10.319 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.422 -19.870 13.129 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.136 -17.892 12.794 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.744 -16.878 11.136 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.065 -16.622 10.702 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.376 -18.487 11.151 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.869 -19.899 12.115 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.455 -19.713 10.445 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.376 -17.363 8.732 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.151 -18.580 9.159 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.855 -18.841 9.599 1.00 0.00 H new ATOM 157 N SER A 12 -9.119 -17.892 13.333 1.00 0.00 N ATOM 158 CA SER A 12 -10.402 -17.137 13.476 1.00 0.00 C ATOM 159 C SER A 12 -10.208 -15.674 13.072 1.00 0.00 C ATOM 160 O SER A 12 -11.149 -14.909 12.992 1.00 0.00 O ATOM 161 CB SER A 12 -10.772 -17.240 14.958 1.00 0.00 C ATOM 162 OG SER A 12 -9.647 -17.681 15.707 1.00 0.00 O ATOM 0 H SER A 12 -8.469 -17.796 14.113 1.00 0.00 H new ATOM 0 HA SER A 12 -11.185 -17.542 12.835 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.108 -16.271 15.326 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.601 -17.935 15.087 1.00 0.00 H new ATOM 0 HG SER A 12 -9.889 -17.743 16.655 1.00 0.00 H new ATOM 168 N GLN A 13 -8.995 -15.285 12.811 1.00 0.00 N ATOM 169 CA GLN A 13 -8.728 -13.876 12.403 1.00 0.00 C ATOM 170 C GLN A 13 -7.667 -13.854 11.303 1.00 0.00 C ATOM 171 O GLN A 13 -7.007 -14.841 11.057 1.00 0.00 O ATOM 172 CB GLN A 13 -8.206 -13.187 13.666 1.00 0.00 C ATOM 173 CG GLN A 13 -6.850 -13.784 14.050 1.00 0.00 C ATOM 174 CD GLN A 13 -6.804 -14.006 15.562 1.00 0.00 C ATOM 175 OE1 GLN A 13 -6.999 -13.084 16.329 1.00 0.00 O ATOM 176 NE2 GLN A 13 -6.551 -15.198 16.028 1.00 0.00 N ATOM 0 H GLN A 13 -8.171 -15.883 12.862 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.615 -13.378 12.010 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.108 -12.115 13.494 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.916 -13.315 14.483 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.695 -14.728 13.528 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.046 -13.115 13.745 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.387 -15.973 15.385 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.517 -15.355 17.035 1.00 0.00 H new ATOM 185 N SER A 14 -7.493 -12.745 10.638 1.00 0.00 N ATOM 186 CA SER A 14 -6.466 -12.685 9.558 1.00 0.00 C ATOM 187 C SER A 14 -5.189 -13.394 10.017 1.00 0.00 C ATOM 188 O SER A 14 -4.872 -13.414 11.189 1.00 0.00 O ATOM 189 CB SER A 14 -6.201 -11.195 9.341 1.00 0.00 C ATOM 190 OG SER A 14 -6.475 -10.857 7.990 1.00 0.00 O ATOM 0 H SER A 14 -8.014 -11.882 10.794 1.00 0.00 H new ATOM 0 HA SER A 14 -6.797 -13.174 8.642 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.826 -10.603 10.009 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.164 -10.960 9.583 1.00 0.00 H new ATOM 0 HG SER A 14 -6.613 -11.676 7.470 1.00 0.00 H new ATOM 196 N ILE A 15 -4.453 -13.979 9.112 1.00 0.00 N ATOM 197 CA ILE A 15 -3.206 -14.683 9.524 1.00 0.00 C ATOM 198 C ILE A 15 -2.153 -13.660 9.955 1.00 0.00 C ATOM 199 O ILE A 15 -1.996 -12.629 9.332 1.00 0.00 O ATOM 200 CB ILE A 15 -2.731 -15.433 8.282 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.685 -16.594 7.984 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.320 -15.973 8.532 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.486 -17.703 9.021 1.00 0.00 C ATOM 0 H ILE A 15 -4.659 -14.000 8.113 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.375 -15.358 10.363 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.717 -14.757 7.427 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.717 -16.244 8.005 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.500 -16.982 6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.974 -16.510 7.649 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.644 -15.143 8.740 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.336 -16.651 9.386 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.166 -18.528 8.807 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.457 -18.060 8.979 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.693 -17.311 10.017 1.00 0.00 H new ATOM 215 N PRO A 16 -1.467 -13.983 11.015 1.00 0.00 N ATOM 216 CA PRO A 16 -0.418 -13.083 11.546 1.00 0.00 C ATOM 217 C PRO A 16 0.834 -13.131 10.666 1.00 0.00 C ATOM 218 O PRO A 16 1.791 -13.814 10.971 1.00 0.00 O ATOM 219 CB PRO A 16 -0.127 -13.650 12.931 1.00 0.00 C ATOM 220 CG PRO A 16 -0.520 -15.093 12.852 1.00 0.00 C ATOM 221 CD PRO A 16 -1.605 -15.208 11.811 1.00 0.00 C ATOM 0 HA PRO A 16 -0.728 -12.038 11.572 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.927 -13.542 13.188 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.698 -13.127 13.699 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.337 -15.710 12.583 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.877 -15.447 13.819 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.476 -16.099 11.197 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.592 -15.277 12.269 1.00 0.00 H new ATOM 229 N CYS A 17 0.841 -12.408 9.580 1.00 0.00 N ATOM 230 CA CYS A 17 2.041 -12.412 8.695 1.00 0.00 C ATOM 231 C CYS A 17 3.268 -11.951 9.490 1.00 0.00 C ATOM 232 O CYS A 17 4.386 -12.341 9.215 1.00 0.00 O ATOM 233 CB CYS A 17 1.738 -11.394 7.592 1.00 0.00 C ATOM 234 SG CYS A 17 0.131 -11.734 6.829 1.00 0.00 S ATOM 0 H CYS A 17 0.071 -11.817 9.268 1.00 0.00 H new ATOM 0 HA CYS A 17 2.248 -13.404 8.294 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.742 -10.387 8.009 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.520 -11.428 6.834 1.00 0.00 H new ATOM 239 N SER A 18 3.059 -11.114 10.474 1.00 0.00 N ATOM 240 CA SER A 18 4.200 -10.600 11.292 1.00 0.00 C ATOM 241 C SER A 18 4.828 -11.698 12.162 1.00 0.00 C ATOM 242 O SER A 18 5.665 -11.421 12.999 1.00 0.00 O ATOM 243 CB SER A 18 3.586 -9.513 12.175 1.00 0.00 C ATOM 244 OG SER A 18 4.320 -9.417 13.388 1.00 0.00 O ATOM 0 H SER A 18 2.142 -10.762 10.748 1.00 0.00 H new ATOM 0 HA SER A 18 5.004 -10.229 10.657 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.598 -8.556 11.653 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.543 -9.748 12.386 1.00 0.00 H new ATOM 0 HG SER A 18 5.245 -9.700 13.234 1.00 0.00 H new ATOM 250 N LEU A 19 4.448 -12.933 11.985 1.00 0.00 N ATOM 251 CA LEU A 19 5.048 -14.011 12.816 1.00 0.00 C ATOM 252 C LEU A 19 5.255 -15.274 11.976 1.00 0.00 C ATOM 253 O LEU A 19 5.294 -16.371 12.494 1.00 0.00 O ATOM 254 CB LEU A 19 4.034 -14.267 13.929 1.00 0.00 C ATOM 255 CG LEU A 19 4.560 -13.676 15.240 1.00 0.00 C ATOM 256 CD1 LEU A 19 3.691 -12.483 15.649 1.00 0.00 C ATOM 257 CD2 LEU A 19 4.511 -14.743 16.334 1.00 0.00 C ATOM 0 H LEU A 19 3.752 -13.240 11.305 1.00 0.00 H new ATOM 0 HA LEU A 19 6.024 -13.730 13.212 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.075 -13.817 13.673 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.864 -15.338 14.042 1.00 0.00 H new ATOM 0 HG LEU A 19 5.589 -13.343 15.102 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.066 -12.063 16.582 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.726 -11.723 14.869 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.662 -12.813 15.788 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.885 -14.324 17.268 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.482 -15.076 16.472 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.131 -15.591 16.043 1.00 0.00 H new ATOM 269 N MET A 20 5.395 -15.132 10.683 1.00 0.00 N ATOM 270 CA MET A 20 5.602 -16.339 9.831 1.00 0.00 C ATOM 271 C MET A 20 6.833 -16.160 8.941 1.00 0.00 C ATOM 272 O MET A 20 7.023 -15.135 8.317 1.00 0.00 O ATOM 273 CB MET A 20 4.346 -16.466 8.961 1.00 0.00 C ATOM 274 CG MET A 20 3.084 -16.178 9.783 1.00 0.00 C ATOM 275 SD MET A 20 2.600 -17.665 10.692 1.00 0.00 S ATOM 276 CE MET A 20 0.846 -17.261 10.877 1.00 0.00 C ATOM 0 H MET A 20 5.375 -14.242 10.185 1.00 0.00 H new ATOM 0 HA MET A 20 5.763 -17.228 10.441 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.406 -15.771 8.123 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.290 -17.470 8.539 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.269 -15.359 10.478 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.274 -15.861 9.126 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.557 -17.364 11.923 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.673 -16.235 10.552 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.250 -17.940 10.268 1.00 0.00 H new ATOM 286 N LYS A 21 7.669 -17.157 8.886 1.00 0.00 N ATOM 287 CA LYS A 21 8.896 -17.069 8.048 1.00 0.00 C ATOM 288 C LYS A 21 8.678 -17.745 6.687 1.00 0.00 C ATOM 289 O LYS A 21 9.185 -17.296 5.680 1.00 0.00 O ATOM 290 CB LYS A 21 9.965 -17.808 8.854 1.00 0.00 C ATOM 291 CG LYS A 21 11.146 -18.161 7.947 1.00 0.00 C ATOM 292 CD LYS A 21 12.434 -18.145 8.771 1.00 0.00 C ATOM 293 CE LYS A 21 13.400 -17.114 8.183 1.00 0.00 C ATOM 294 NZ LYS A 21 14.071 -16.505 9.366 1.00 0.00 N ATOM 0 H LYS A 21 7.554 -18.036 9.390 1.00 0.00 H new ATOM 0 HA LYS A 21 9.177 -16.038 7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.304 -17.186 9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.544 -18.715 9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.997 -19.145 7.502 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.216 -17.447 7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.211 -17.900 9.810 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.893 -19.133 8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.123 -17.584 7.516 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.869 -16.362 7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.751 -15.786 9.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.358 -16.060 9.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.573 -17.244 9.899 1.00 0.00 H new ATOM 308 N SER A 22 7.937 -18.824 6.644 1.00 0.00 N ATOM 309 CA SER A 22 7.716 -19.509 5.334 1.00 0.00 C ATOM 310 C SER A 22 6.441 -20.357 5.368 1.00 0.00 C ATOM 311 O SER A 22 6.311 -21.269 6.157 1.00 0.00 O ATOM 312 CB SER A 22 8.945 -20.400 5.144 1.00 0.00 C ATOM 313 OG SER A 22 9.096 -20.713 3.768 1.00 0.00 O ATOM 0 H SER A 22 7.481 -19.256 7.448 1.00 0.00 H new ATOM 0 HA SER A 22 7.591 -18.796 4.519 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.836 -19.891 5.512 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.837 -21.315 5.726 1.00 0.00 H new ATOM 0 HG SER A 22 9.884 -21.282 3.647 1.00 0.00 H new ATOM 319 N TYR A 23 5.503 -20.063 4.511 1.00 0.00 N ATOM 320 CA TYR A 23 4.235 -20.850 4.481 1.00 0.00 C ATOM 321 C TYR A 23 4.324 -21.963 3.430 1.00 0.00 C ATOM 322 O TYR A 23 5.203 -21.964 2.591 1.00 0.00 O ATOM 323 CB TYR A 23 3.158 -19.838 4.089 1.00 0.00 C ATOM 324 CG TYR A 23 3.373 -19.412 2.655 1.00 0.00 C ATOM 325 CD1 TYR A 23 4.190 -18.312 2.365 1.00 0.00 C ATOM 326 CD2 TYR A 23 2.758 -20.119 1.615 1.00 0.00 C ATOM 327 CE1 TYR A 23 4.390 -17.918 1.037 1.00 0.00 C ATOM 328 CE2 TYR A 23 2.959 -19.726 0.287 1.00 0.00 C ATOM 329 CZ TYR A 23 3.776 -18.627 -0.003 1.00 0.00 C ATOM 330 OH TYR A 23 3.974 -18.239 -1.313 1.00 0.00 O ATOM 0 H TYR A 23 5.559 -19.309 3.827 1.00 0.00 H new ATOM 0 HA TYR A 23 4.024 -21.330 5.437 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.168 -20.279 4.205 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.200 -18.971 4.748 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.666 -17.767 3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.128 -20.968 1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.017 -17.068 0.814 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.483 -20.271 -0.515 1.00 0.00 H new ATOM 0 HH TYR A 23 3.478 -18.837 -1.910 1.00 0.00 H new ATOM 340 N PHE A 24 3.415 -22.902 3.458 1.00 0.00 N ATOM 341 CA PHE A 24 3.454 -23.999 2.447 1.00 0.00 C ATOM 342 C PHE A 24 2.036 -24.489 2.140 1.00 0.00 C ATOM 343 O PHE A 24 1.160 -24.449 2.982 1.00 0.00 O ATOM 344 CB PHE A 24 4.304 -25.110 3.078 1.00 0.00 C ATOM 345 CG PHE A 24 3.469 -25.963 4.008 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.557 -26.895 3.486 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.615 -25.832 5.393 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.796 -27.689 4.352 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.853 -26.626 6.257 1.00 0.00 C ATOM 350 CZ PHE A 24 1.944 -27.555 5.737 1.00 0.00 C ATOM 0 H PHE A 24 2.652 -22.957 4.133 1.00 0.00 H new ATOM 0 HA PHE A 24 3.879 -23.669 1.499 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.735 -25.733 2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.135 -24.670 3.629 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.443 -26.999 2.417 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.317 -25.117 5.796 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.094 -28.405 3.951 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.966 -26.522 7.326 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.357 -28.168 6.405 1.00 0.00 H new ATOM 360 N GLU A 25 1.805 -24.950 0.943 1.00 0.00 N ATOM 361 CA GLU A 25 0.446 -25.443 0.584 1.00 0.00 C ATOM 362 C GLU A 25 0.340 -26.937 0.889 1.00 0.00 C ATOM 363 O GLU A 25 1.289 -27.680 0.736 1.00 0.00 O ATOM 364 CB GLU A 25 0.314 -25.192 -0.918 1.00 0.00 C ATOM 365 CG GLU A 25 1.245 -26.139 -1.677 1.00 0.00 C ATOM 366 CD GLU A 25 1.430 -25.634 -3.109 1.00 0.00 C ATOM 367 OE1 GLU A 25 0.442 -25.246 -3.711 1.00 0.00 O ATOM 368 OE2 GLU A 25 2.555 -25.645 -3.579 1.00 0.00 O ATOM 0 H GLU A 25 2.499 -25.007 0.197 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.341 -24.942 1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.717 -25.348 -1.234 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.565 -24.156 -1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.210 -26.198 -1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.828 -27.146 -1.686 1.00 0.00 H new ATOM 375 N THR A 26 -0.804 -27.383 1.325 1.00 0.00 N ATOM 376 CA THR A 26 -0.960 -28.831 1.646 1.00 0.00 C ATOM 377 C THR A 26 -1.146 -29.646 0.364 1.00 0.00 C ATOM 378 O THR A 26 -0.965 -29.150 -0.731 1.00 0.00 O ATOM 379 CB THR A 26 -2.212 -28.919 2.521 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.350 -28.535 1.760 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.062 -27.991 3.726 1.00 0.00 C ATOM 0 H THR A 26 -1.636 -26.811 1.473 1.00 0.00 H new ATOM 0 HA THR A 26 -0.082 -29.232 2.152 1.00 0.00 H new ATOM 0 HB THR A 26 -2.339 -29.944 2.870 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.675 -29.304 1.247 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.955 -28.055 4.348 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.191 -28.290 4.309 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.933 -26.965 3.381 1.00 0.00 H new ATOM 389 N SER A 27 -1.502 -30.894 0.494 1.00 0.00 N ATOM 390 CA SER A 27 -1.699 -31.746 -0.714 1.00 0.00 C ATOM 391 C SER A 27 -3.186 -31.835 -1.068 1.00 0.00 C ATOM 392 O SER A 27 -4.034 -31.950 -0.207 1.00 0.00 O ATOM 393 CB SER A 27 -1.160 -33.122 -0.320 1.00 0.00 C ATOM 394 OG SER A 27 0.156 -32.986 0.193 1.00 0.00 O ATOM 0 H SER A 27 -1.665 -31.362 1.386 1.00 0.00 H new ATOM 0 HA SER A 27 -1.190 -31.342 -1.589 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.808 -33.577 0.429 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.158 -33.785 -1.185 1.00 0.00 H new ATOM 0 HG SER A 27 0.501 -33.867 0.447 1.00 0.00 H new ATOM 400 N SER A 28 -3.507 -31.788 -2.333 1.00 0.00 N ATOM 401 CA SER A 28 -4.938 -31.871 -2.745 1.00 0.00 C ATOM 402 C SER A 28 -5.492 -33.273 -2.472 1.00 0.00 C ATOM 403 O SER A 28 -6.663 -33.535 -2.658 1.00 0.00 O ATOM 404 CB SER A 28 -4.936 -31.575 -4.244 1.00 0.00 C ATOM 405 OG SER A 28 -6.274 -31.509 -4.716 1.00 0.00 O ATOM 0 H SER A 28 -2.840 -31.696 -3.099 1.00 0.00 H new ATOM 0 HA SER A 28 -5.567 -31.173 -2.193 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.424 -30.633 -4.439 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.389 -32.352 -4.778 1.00 0.00 H new ATOM 0 HG SER A 28 -6.854 -32.039 -4.130 1.00 0.00 H new ATOM 411 N GLU A 29 -4.658 -34.174 -2.034 1.00 0.00 N ATOM 412 CA GLU A 29 -5.135 -35.558 -1.751 1.00 0.00 C ATOM 413 C GLU A 29 -5.982 -35.576 -0.476 1.00 0.00 C ATOM 414 O GLU A 29 -6.822 -36.433 -0.290 1.00 0.00 O ATOM 415 CB GLU A 29 -3.861 -36.383 -1.558 1.00 0.00 C ATOM 416 CG GLU A 29 -3.869 -37.569 -2.524 1.00 0.00 C ATOM 417 CD GLU A 29 -4.527 -38.773 -1.846 1.00 0.00 C ATOM 418 OE1 GLU A 29 -5.743 -38.781 -1.746 1.00 0.00 O ATOM 419 OE2 GLU A 29 -3.803 -39.666 -1.439 1.00 0.00 O ATOM 0 H GLU A 29 -3.666 -34.013 -1.859 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.760 -35.951 -2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.983 -35.762 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.798 -36.739 -0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.411 -37.308 -3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.850 -37.817 -2.821 1.00 0.00 H new ATOM 426 N CYS A 30 -5.767 -34.638 0.406 1.00 0.00 N ATOM 427 CA CYS A 30 -6.563 -34.606 1.668 1.00 0.00 C ATOM 428 C CYS A 30 -7.999 -34.158 1.381 1.00 0.00 C ATOM 429 O CYS A 30 -8.256 -33.422 0.449 1.00 0.00 O ATOM 430 CB CYS A 30 -5.851 -33.591 2.562 1.00 0.00 C ATOM 431 SG CYS A 30 -5.050 -34.455 3.935 1.00 0.00 S ATOM 0 H CYS A 30 -5.076 -33.894 0.308 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.627 -35.587 2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.110 -33.038 1.984 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.566 -32.862 2.944 1.00 0.00 H new ATOM 436 N SER A 31 -8.936 -34.595 2.179 1.00 0.00 N ATOM 437 CA SER A 31 -10.355 -34.196 1.956 1.00 0.00 C ATOM 438 C SER A 31 -10.512 -32.681 2.099 1.00 0.00 C ATOM 439 O SER A 31 -11.535 -32.117 1.769 1.00 0.00 O ATOM 440 CB SER A 31 -11.150 -34.923 3.041 1.00 0.00 C ATOM 441 OG SER A 31 -11.420 -36.251 2.621 1.00 0.00 O ATOM 0 H SER A 31 -8.779 -35.212 2.976 1.00 0.00 H new ATOM 0 HA SER A 31 -10.701 -34.456 0.955 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.587 -34.933 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.083 -34.396 3.238 1.00 0.00 H new ATOM 0 HG SER A 31 -11.928 -36.717 3.317 1.00 0.00 H new ATOM 447 N LYS A 32 -9.504 -32.020 2.591 1.00 0.00 N ATOM 448 CA LYS A 32 -9.591 -30.543 2.759 1.00 0.00 C ATOM 449 C LYS A 32 -8.200 -29.912 2.638 1.00 0.00 C ATOM 450 O LYS A 32 -7.369 -30.072 3.509 1.00 0.00 O ATOM 451 CB LYS A 32 -10.150 -30.337 4.168 1.00 0.00 C ATOM 452 CG LYS A 32 -11.676 -30.435 4.134 1.00 0.00 C ATOM 453 CD LYS A 32 -12.249 -29.905 5.450 1.00 0.00 C ATOM 454 CE LYS A 32 -13.444 -30.764 5.871 1.00 0.00 C ATOM 455 NZ LYS A 32 -13.395 -30.780 7.360 1.00 0.00 N ATOM 0 H LYS A 32 -8.622 -32.439 2.885 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.218 -30.078 1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.742 -31.088 4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.847 -29.363 4.552 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.070 -29.860 3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.982 -31.470 3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.483 -29.924 6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.558 -28.866 5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.382 -30.341 5.511 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.371 -31.772 5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.184 -31.350 7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.494 -31.194 7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.473 -29.808 7.720 1.00 0.00 H new ATOM 469 N PRO A 33 -7.999 -29.210 1.557 1.00 0.00 N ATOM 470 CA PRO A 33 -6.697 -28.541 1.316 1.00 0.00 C ATOM 471 C PRO A 33 -6.535 -27.345 2.257 1.00 0.00 C ATOM 472 O PRO A 33 -7.326 -27.138 3.156 1.00 0.00 O ATOM 473 CB PRO A 33 -6.792 -28.083 -0.136 1.00 0.00 C ATOM 474 CG PRO A 33 -8.258 -27.959 -0.406 1.00 0.00 C ATOM 475 CD PRO A 33 -8.953 -28.974 0.467 1.00 0.00 C ATOM 0 HA PRO A 33 -5.839 -29.190 1.495 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.281 -27.132 -0.284 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.326 -28.803 -0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.608 -26.952 -0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.474 -28.143 -1.458 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.903 -28.595 0.842 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.170 -29.891 -0.081 1.00 0.00 H new ATOM 483 N GLY A 34 -5.515 -26.559 2.060 1.00 0.00 N ATOM 484 CA GLY A 34 -5.301 -25.380 2.945 1.00 0.00 C ATOM 485 C GLY A 34 -3.808 -25.059 2.993 1.00 0.00 C ATOM 486 O GLY A 34 -2.982 -25.863 2.622 1.00 0.00 O ATOM 0 H GLY A 34 -4.819 -26.681 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.859 -24.522 2.570 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.674 -25.589 3.948 1.00 0.00 H new ATOM 490 N VAL A 35 -3.454 -23.890 3.447 1.00 0.00 N ATOM 491 CA VAL A 35 -2.007 -23.527 3.515 1.00 0.00 C ATOM 492 C VAL A 35 -1.595 -23.297 4.971 1.00 0.00 C ATOM 493 O VAL A 35 -2.190 -22.509 5.678 1.00 0.00 O ATOM 494 CB VAL A 35 -1.873 -22.235 2.695 1.00 0.00 C ATOM 495 CG1 VAL A 35 -3.084 -21.336 2.945 1.00 0.00 C ATOM 496 CG2 VAL A 35 -0.597 -21.491 3.100 1.00 0.00 C ATOM 0 H VAL A 35 -4.099 -23.171 3.773 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.363 -24.314 3.124 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.822 -22.491 1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.984 -20.421 2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.993 -21.859 2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.139 -21.086 4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.508 -20.576 2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.643 -21.241 4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.269 -22.126 2.914 1.00 0.00 H new ATOM 506 N ILE A 36 -0.577 -23.976 5.421 1.00 0.00 N ATOM 507 CA ILE A 36 -0.123 -23.792 6.827 1.00 0.00 C ATOM 508 C ILE A 36 1.096 -22.869 6.854 1.00 0.00 C ATOM 509 O ILE A 36 2.046 -23.062 6.123 1.00 0.00 O ATOM 510 CB ILE A 36 0.246 -25.198 7.315 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.023 -25.919 7.779 1.00 0.00 C ATOM 512 CG2 ILE A 36 1.238 -25.102 8.481 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.648 -27.141 8.623 1.00 0.00 C ATOM 0 H ILE A 36 -0.040 -24.650 4.876 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.885 -23.337 7.460 1.00 0.00 H new ATOM 0 HB ILE A 36 0.708 -25.755 6.500 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.645 -25.240 8.362 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.612 -26.229 6.916 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.496 -26.104 8.823 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.140 -24.588 8.150 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.784 -24.545 9.300 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.555 -27.650 8.950 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.044 -27.824 8.026 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.078 -26.820 9.495 1.00 0.00 H new ATOM 525 N PHE A 37 1.082 -21.876 7.691 1.00 0.00 N ATOM 526 CA PHE A 37 2.249 -20.957 7.758 1.00 0.00 C ATOM 527 C PHE A 37 3.245 -21.470 8.798 1.00 0.00 C ATOM 528 O PHE A 37 2.872 -21.871 9.882 1.00 0.00 O ATOM 529 CB PHE A 37 1.673 -19.609 8.197 1.00 0.00 C ATOM 530 CG PHE A 37 0.985 -18.939 7.032 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.359 -19.222 6.757 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.685 -18.028 6.234 1.00 0.00 C ATOM 533 CE1 PHE A 37 -1.000 -18.594 5.682 1.00 0.00 C ATOM 534 CE2 PHE A 37 1.044 -17.400 5.160 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.299 -17.683 4.884 1.00 0.00 C ATOM 0 H PHE A 37 0.317 -21.660 8.330 1.00 0.00 H new ATOM 0 HA PHE A 37 2.775 -20.882 6.806 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.965 -19.755 9.013 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.470 -18.970 8.576 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.901 -19.924 7.374 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.721 -17.809 6.447 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.036 -18.813 5.469 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.585 -16.697 4.544 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.794 -17.198 4.055 1.00 0.00 H new ATOM 545 N LEU A 38 4.510 -21.451 8.486 1.00 0.00 N ATOM 546 CA LEU A 38 5.515 -21.928 9.473 1.00 0.00 C ATOM 547 C LEU A 38 6.128 -20.716 10.167 1.00 0.00 C ATOM 548 O LEU A 38 6.647 -19.826 9.526 1.00 0.00 O ATOM 549 CB LEU A 38 6.564 -22.681 8.651 1.00 0.00 C ATOM 550 CG LEU A 38 6.715 -24.105 9.191 1.00 0.00 C ATOM 551 CD1 LEU A 38 7.279 -24.055 10.612 1.00 0.00 C ATOM 552 CD2 LEU A 38 5.348 -24.794 9.205 1.00 0.00 C ATOM 0 H LEU A 38 4.889 -21.128 7.596 1.00 0.00 H new ATOM 0 HA LEU A 38 5.090 -22.572 10.243 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.268 -22.709 7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.520 -22.160 8.698 1.00 0.00 H new ATOM 0 HG LEU A 38 7.396 -24.666 8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.387 -25.069 10.997 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.253 -23.566 10.600 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.600 -23.494 11.254 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.456 -25.808 9.590 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.665 -24.234 9.844 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.949 -24.831 8.191 1.00 0.00 H new ATOM 564 N THR A 39 6.053 -20.662 11.467 1.00 0.00 N ATOM 565 CA THR A 39 6.613 -19.488 12.191 1.00 0.00 C ATOM 566 C THR A 39 8.074 -19.734 12.549 1.00 0.00 C ATOM 567 O THR A 39 8.484 -20.847 12.812 1.00 0.00 O ATOM 568 CB THR A 39 5.772 -19.362 13.465 1.00 0.00 C ATOM 569 OG1 THR A 39 6.171 -20.357 14.396 1.00 0.00 O ATOM 570 CG2 THR A 39 4.292 -19.542 13.129 1.00 0.00 C ATOM 0 H THR A 39 5.630 -21.378 12.058 1.00 0.00 H new ATOM 0 HA THR A 39 6.578 -18.582 11.585 1.00 0.00 H new ATOM 0 HB THR A 39 5.924 -18.374 13.899 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.549 -19.928 15.192 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.699 -19.451 14.039 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.985 -18.776 12.418 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.136 -20.528 12.691 1.00 0.00 H new ATOM 578 N LYS A 40 8.861 -18.699 12.561 1.00 0.00 N ATOM 579 CA LYS A 40 10.301 -18.869 12.908 1.00 0.00 C ATOM 580 C LYS A 40 10.436 -19.322 14.364 1.00 0.00 C ATOM 581 O LYS A 40 11.377 -19.995 14.731 1.00 0.00 O ATOM 582 CB LYS A 40 10.922 -17.485 12.715 1.00 0.00 C ATOM 583 CG LYS A 40 12.439 -17.580 12.893 1.00 0.00 C ATOM 584 CD LYS A 40 12.930 -16.412 13.751 1.00 0.00 C ATOM 585 CE LYS A 40 14.401 -16.629 14.114 1.00 0.00 C ATOM 586 NZ LYS A 40 15.089 -15.371 13.706 1.00 0.00 N ATOM 0 H LYS A 40 8.574 -17.744 12.347 1.00 0.00 H new ATOM 0 HA LYS A 40 10.792 -19.622 12.291 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.684 -17.103 11.722 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.503 -16.783 13.436 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.701 -18.527 13.365 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.931 -17.562 11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.813 -15.474 13.209 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.328 -16.334 14.657 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.521 -16.816 15.181 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.813 -17.492 13.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.103 -15.444 13.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.964 -15.223 12.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.680 -14.568 14.225 1.00 0.00 H new ATOM 600 N LYS A 41 9.498 -18.957 15.195 1.00 0.00 N ATOM 601 CA LYS A 41 9.568 -19.365 16.628 1.00 0.00 C ATOM 602 C LYS A 41 9.303 -20.867 16.771 1.00 0.00 C ATOM 603 O LYS A 41 9.387 -21.422 17.848 1.00 0.00 O ATOM 604 CB LYS A 41 8.473 -18.558 17.323 1.00 0.00 C ATOM 605 CG LYS A 41 8.853 -18.344 18.789 1.00 0.00 C ATOM 606 CD LYS A 41 8.015 -17.207 19.373 1.00 0.00 C ATOM 607 CE LYS A 41 8.456 -16.939 20.814 1.00 0.00 C ATOM 608 NZ LYS A 41 7.201 -16.583 21.535 1.00 0.00 N ATOM 0 H LYS A 41 8.686 -18.394 14.944 1.00 0.00 H new ATOM 0 HA LYS A 41 10.551 -19.178 17.061 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.343 -17.597 16.826 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.520 -19.083 17.256 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.687 -19.260 19.356 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.914 -18.107 18.870 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.134 -16.306 18.771 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.957 -17.470 19.348 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.929 -17.817 21.253 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.183 -16.128 20.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.418 -16.384 22.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.777 -15.740 21.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.531 -17.376 21.478 1.00 0.00 H new ATOM 622 N GLY A 42 8.985 -21.525 15.693 1.00 0.00 N ATOM 623 CA GLY A 42 8.714 -22.989 15.763 1.00 0.00 C ATOM 624 C GLY A 42 7.220 -23.226 16.005 1.00 0.00 C ATOM 625 O GLY A 42 6.825 -23.782 17.010 1.00 0.00 O ATOM 0 H GLY A 42 8.901 -21.113 14.764 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.023 -23.471 14.835 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.298 -23.439 16.566 1.00 0.00 H new ATOM 629 N ARG A 43 6.386 -22.807 15.091 1.00 0.00 N ATOM 630 CA ARG A 43 4.918 -23.011 15.266 1.00 0.00 C ATOM 631 C ARG A 43 4.243 -23.159 13.900 1.00 0.00 C ATOM 632 O ARG A 43 4.889 -23.128 12.872 1.00 0.00 O ATOM 633 CB ARG A 43 4.424 -21.751 15.977 1.00 0.00 C ATOM 634 CG ARG A 43 3.491 -22.146 17.125 1.00 0.00 C ATOM 635 CD ARG A 43 3.909 -21.409 18.400 1.00 0.00 C ATOM 636 NE ARG A 43 4.217 -22.488 19.379 1.00 0.00 N ATOM 637 CZ ARG A 43 4.507 -22.185 20.615 1.00 0.00 C ATOM 638 NH1 ARG A 43 3.753 -21.352 21.278 1.00 0.00 N ATOM 639 NH2 ARG A 43 5.553 -22.716 21.189 1.00 0.00 N ATOM 0 H ARG A 43 6.658 -22.332 14.230 1.00 0.00 H new ATOM 0 HA ARG A 43 4.689 -23.913 15.834 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.270 -21.182 16.361 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.899 -21.105 15.273 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.460 -21.899 16.871 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.531 -23.223 17.286 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.778 -20.775 18.224 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.110 -20.762 18.763 1.00 0.00 H new ATOM 0 HE ARG A 43 4.201 -23.464 19.084 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.936 -20.937 20.831 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.981 -21.116 22.244 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.143 -23.367 20.671 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.780 -22.479 22.155 1.00 0.00 H new ATOM 653 N GLN A 44 2.948 -23.326 13.878 1.00 0.00 N ATOM 654 CA GLN A 44 2.244 -23.481 12.574 1.00 0.00 C ATOM 655 C GLN A 44 0.818 -22.924 12.654 1.00 0.00 C ATOM 656 O GLN A 44 0.159 -23.018 13.671 1.00 0.00 O ATOM 657 CB GLN A 44 2.215 -24.988 12.330 1.00 0.00 C ATOM 658 CG GLN A 44 1.632 -25.691 13.556 1.00 0.00 C ATOM 659 CD GLN A 44 0.442 -26.552 13.130 1.00 0.00 C ATOM 660 OE1 GLN A 44 -0.603 -26.515 13.750 1.00 0.00 O ATOM 661 NE2 GLN A 44 0.558 -27.331 12.091 1.00 0.00 N ATOM 0 H GLN A 44 2.350 -23.362 14.703 1.00 0.00 H new ATOM 0 HA GLN A 44 2.743 -22.938 11.771 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.615 -25.213 11.449 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.222 -25.355 12.132 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.393 -26.312 14.029 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.316 -24.955 14.295 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.435 -27.361 11.572 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.229 -27.910 11.798 1.00 0.00 H new ATOM 670 N VAL A 45 0.334 -22.359 11.580 1.00 0.00 N ATOM 671 CA VAL A 45 -1.052 -21.807 11.578 1.00 0.00 C ATOM 672 C VAL A 45 -1.851 -22.429 10.428 1.00 0.00 C ATOM 673 O VAL A 45 -1.292 -22.858 9.437 1.00 0.00 O ATOM 674 CB VAL A 45 -0.885 -20.300 11.365 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.214 -19.695 10.897 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.464 -19.644 12.681 1.00 0.00 C ATOM 0 H VAL A 45 0.841 -22.256 10.701 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.589 -22.024 12.501 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.121 -20.125 10.608 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.092 -18.622 10.746 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.516 -20.161 9.959 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.980 -19.871 11.653 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.345 -18.571 12.531 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.229 -19.822 13.437 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.482 -20.071 13.014 1.00 0.00 H new ATOM 686 N CYS A 46 -3.149 -22.480 10.546 1.00 0.00 N ATOM 687 CA CYS A 46 -3.968 -23.073 9.446 1.00 0.00 C ATOM 688 C CYS A 46 -4.705 -21.961 8.704 1.00 0.00 C ATOM 689 O CYS A 46 -5.465 -21.223 9.290 1.00 0.00 O ATOM 690 CB CYS A 46 -4.963 -24.003 10.142 1.00 0.00 C ATOM 691 SG CYS A 46 -4.171 -25.589 10.502 1.00 0.00 S ATOM 0 H CYS A 46 -3.677 -22.140 11.350 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.362 -23.609 8.716 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.318 -23.545 11.065 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.836 -24.158 9.507 1.00 0.00 H new ATOM 696 N ALA A 47 -4.495 -21.824 7.427 1.00 0.00 N ATOM 697 CA ALA A 47 -5.200 -20.742 6.688 1.00 0.00 C ATOM 698 C ALA A 47 -5.907 -21.300 5.455 1.00 0.00 C ATOM 699 O ALA A 47 -5.585 -22.363 4.963 1.00 0.00 O ATOM 700 CB ALA A 47 -4.105 -19.762 6.274 1.00 0.00 C ATOM 0 H ALA A 47 -3.873 -22.407 6.867 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.966 -20.267 7.301 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.548 -18.933 5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.604 -19.379 7.163 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.380 -20.273 5.641 1.00 0.00 H new ATOM 706 N LYS A 48 -6.868 -20.581 4.949 1.00 0.00 N ATOM 707 CA LYS A 48 -7.600 -21.052 3.740 1.00 0.00 C ATOM 708 C LYS A 48 -6.782 -20.731 2.487 1.00 0.00 C ATOM 709 O LYS A 48 -5.744 -20.105 2.568 1.00 0.00 O ATOM 710 CB LYS A 48 -8.913 -20.268 3.742 1.00 0.00 C ATOM 711 CG LYS A 48 -10.069 -21.210 4.084 1.00 0.00 C ATOM 712 CD LYS A 48 -11.019 -20.519 5.066 1.00 0.00 C ATOM 713 CE LYS A 48 -12.392 -20.348 4.413 1.00 0.00 C ATOM 714 NZ LYS A 48 -12.137 -19.529 3.194 1.00 0.00 N ATOM 0 H LYS A 48 -7.180 -19.684 5.321 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.773 -22.128 3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.864 -19.457 4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.078 -19.812 2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.606 -21.488 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.684 -22.131 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.109 -21.109 5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.618 -19.547 5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.830 -21.312 4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.090 -19.849 5.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.943 -18.893 3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.273 -18.965 3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.016 -20.156 2.373 1.00 0.00 H new ATOM 728 N PRO A 49 -7.279 -21.173 1.365 1.00 0.00 N ATOM 729 CA PRO A 49 -6.582 -20.930 0.079 1.00 0.00 C ATOM 730 C PRO A 49 -6.702 -19.456 -0.324 1.00 0.00 C ATOM 731 O PRO A 49 -5.815 -18.894 -0.934 1.00 0.00 O ATOM 732 CB PRO A 49 -7.324 -21.827 -0.905 1.00 0.00 C ATOM 733 CG PRO A 49 -8.683 -22.012 -0.308 1.00 0.00 C ATOM 734 CD PRO A 49 -8.522 -21.931 1.188 1.00 0.00 C ATOM 0 HA PRO A 49 -5.514 -21.146 0.121 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.385 -21.366 -1.891 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.814 -22.782 -1.031 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.369 -21.243 -0.664 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.104 -22.974 -0.599 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.368 -21.427 1.655 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.454 -22.922 1.637 1.00 0.00 H new ATOM 742 N SER A 50 -7.796 -18.829 0.013 1.00 0.00 N ATOM 743 CA SER A 50 -7.975 -17.393 -0.351 1.00 0.00 C ATOM 744 C SER A 50 -8.344 -16.573 0.889 1.00 0.00 C ATOM 745 O SER A 50 -8.999 -15.554 0.798 1.00 0.00 O ATOM 746 CB SER A 50 -9.122 -17.383 -1.362 1.00 0.00 C ATOM 747 OG SER A 50 -8.675 -17.945 -2.587 1.00 0.00 O ATOM 0 H SER A 50 -8.573 -19.248 0.524 1.00 0.00 H new ATOM 0 HA SER A 50 -7.065 -16.954 -0.761 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.968 -17.952 -0.975 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.471 -16.363 -1.523 1.00 0.00 H new ATOM 0 HG SER A 50 -9.409 -17.941 -3.236 1.00 0.00 H new ATOM 753 N GLY A 51 -7.928 -17.010 2.046 1.00 0.00 N ATOM 754 CA GLY A 51 -8.255 -16.256 3.289 1.00 0.00 C ATOM 755 C GLY A 51 -7.828 -14.795 3.126 1.00 0.00 C ATOM 756 O GLY A 51 -6.839 -14.504 2.485 1.00 0.00 O ATOM 0 H GLY A 51 -7.376 -17.856 2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.325 -16.313 3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.745 -16.702 4.143 1.00 0.00 H new ATOM 760 N PRO A 52 -8.595 -13.923 3.721 1.00 0.00 N ATOM 761 CA PRO A 52 -8.298 -12.469 3.649 1.00 0.00 C ATOM 762 C PRO A 52 -7.068 -12.137 4.499 1.00 0.00 C ATOM 763 O PRO A 52 -7.151 -11.996 5.702 1.00 0.00 O ATOM 764 CB PRO A 52 -9.552 -11.820 4.227 1.00 0.00 C ATOM 765 CG PRO A 52 -10.158 -12.867 5.108 1.00 0.00 C ATOM 766 CD PRO A 52 -9.800 -14.203 4.510 1.00 0.00 C ATOM 0 HA PRO A 52 -8.073 -12.123 2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.306 -10.921 4.793 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.241 -11.521 3.438 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.775 -12.784 6.125 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.240 -12.746 5.163 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.608 -14.948 5.282 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.605 -14.591 3.886 1.00 0.00 H new ATOM 774 N GLY A 53 -5.925 -12.017 3.881 1.00 0.00 N ATOM 775 CA GLY A 53 -4.688 -11.702 4.649 1.00 0.00 C ATOM 776 C GLY A 53 -3.679 -12.835 4.456 1.00 0.00 C ATOM 777 O GLY A 53 -2.489 -12.660 4.628 1.00 0.00 O ATOM 0 H GLY A 53 -5.795 -12.124 2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.263 -10.758 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.922 -11.583 5.707 1.00 0.00 H new ATOM 781 N VAL A 54 -4.148 -13.999 4.094 1.00 0.00 N ATOM 782 CA VAL A 54 -3.222 -15.150 3.881 1.00 0.00 C ATOM 783 C VAL A 54 -2.227 -14.812 2.773 1.00 0.00 C ATOM 784 O VAL A 54 -1.055 -15.119 2.863 1.00 0.00 O ATOM 785 CB VAL A 54 -4.129 -16.310 3.466 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.301 -17.398 2.777 1.00 0.00 C ATOM 787 CG2 VAL A 54 -4.805 -16.895 4.707 1.00 0.00 C ATOM 0 H VAL A 54 -5.135 -14.203 3.936 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.638 -15.393 4.769 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.886 -15.943 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.953 -18.221 2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.820 -16.983 1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.539 -17.766 3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.452 -17.722 4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.045 -17.257 5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.401 -16.123 5.194 1.00 0.00 H new ATOM 797 N GLN A 55 -2.681 -14.172 1.734 1.00 0.00 N ATOM 798 CA GLN A 55 -1.749 -13.808 0.637 1.00 0.00 C ATOM 799 C GLN A 55 -0.780 -12.747 1.145 1.00 0.00 C ATOM 800 O GLN A 55 0.339 -12.637 0.683 1.00 0.00 O ATOM 801 CB GLN A 55 -2.636 -13.250 -0.477 1.00 0.00 C ATOM 802 CG GLN A 55 -2.657 -14.230 -1.651 1.00 0.00 C ATOM 803 CD GLN A 55 -1.276 -14.267 -2.308 1.00 0.00 C ATOM 804 OE1 GLN A 55 -0.699 -13.237 -2.595 1.00 0.00 O ATOM 805 NE2 GLN A 55 -0.719 -15.420 -2.563 1.00 0.00 N ATOM 0 H GLN A 55 -3.651 -13.887 1.598 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.158 -14.652 0.281 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.648 -13.090 -0.105 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.260 -12.281 -0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.933 -15.225 -1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.410 -13.927 -2.379 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.203 -16.285 -2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.200 -15.456 -3.003 1.00 0.00 H new ATOM 814 N ASP A 56 -1.195 -11.980 2.115 1.00 0.00 N ATOM 815 CA ASP A 56 -0.293 -10.946 2.678 1.00 0.00 C ATOM 816 C ASP A 56 0.851 -11.636 3.420 1.00 0.00 C ATOM 817 O ASP A 56 2.001 -11.256 3.304 1.00 0.00 O ATOM 818 CB ASP A 56 -1.165 -10.144 3.641 1.00 0.00 C ATOM 819 CG ASP A 56 -1.650 -8.868 2.950 1.00 0.00 C ATOM 820 OD1 ASP A 56 -1.872 -8.916 1.752 1.00 0.00 O ATOM 821 OD2 ASP A 56 -1.794 -7.867 3.632 1.00 0.00 O ATOM 0 H ASP A 56 -2.121 -12.027 2.540 1.00 0.00 H new ATOM 0 HA ASP A 56 0.151 -10.303 1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.017 -10.743 3.961 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.598 -9.892 4.537 1.00 0.00 H new ATOM 826 N CYS A 57 0.547 -12.665 4.171 1.00 0.00 N ATOM 827 CA CYS A 57 1.627 -13.386 4.900 1.00 0.00 C ATOM 828 C CYS A 57 2.575 -14.024 3.889 1.00 0.00 C ATOM 829 O CYS A 57 3.781 -13.962 4.025 1.00 0.00 O ATOM 830 CB CYS A 57 0.919 -14.469 5.718 1.00 0.00 C ATOM 831 SG CYS A 57 -0.112 -13.726 7.012 1.00 0.00 S ATOM 0 H CYS A 57 -0.395 -13.032 4.308 1.00 0.00 H new ATOM 0 HA CYS A 57 2.212 -12.724 5.538 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.301 -15.082 5.061 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.658 -15.131 6.170 1.00 0.00 H new ATOM 836 N MET A 58 2.035 -14.632 2.867 1.00 0.00 N ATOM 837 CA MET A 58 2.903 -15.267 1.840 1.00 0.00 C ATOM 838 C MET A 58 3.627 -14.193 1.031 1.00 0.00 C ATOM 839 O MET A 58 4.661 -14.440 0.442 1.00 0.00 O ATOM 840 CB MET A 58 1.956 -16.056 0.942 1.00 0.00 C ATOM 841 CG MET A 58 1.071 -16.967 1.795 1.00 0.00 C ATOM 842 SD MET A 58 -0.561 -17.106 1.027 1.00 0.00 S ATOM 843 CE MET A 58 -0.468 -18.867 0.621 1.00 0.00 C ATOM 0 H MET A 58 1.032 -14.715 2.701 1.00 0.00 H new ATOM 0 HA MET A 58 3.665 -15.906 2.286 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.337 -15.372 0.361 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.527 -16.652 0.230 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.527 -17.953 1.888 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.978 -16.563 2.803 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.428 -19.339 0.828 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.226 -18.985 -0.435 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.307 -19.339 1.225 1.00 0.00 H new ATOM 853 N LYS A 59 3.099 -12.997 1.003 1.00 0.00 N ATOM 854 CA LYS A 59 3.773 -11.917 0.235 1.00 0.00 C ATOM 855 C LYS A 59 5.115 -11.613 0.892 1.00 0.00 C ATOM 856 O LYS A 59 6.151 -11.639 0.259 1.00 0.00 O ATOM 857 CB LYS A 59 2.835 -10.713 0.328 1.00 0.00 C ATOM 858 CG LYS A 59 3.223 -9.683 -0.735 1.00 0.00 C ATOM 859 CD LYS A 59 3.284 -10.363 -2.103 1.00 0.00 C ATOM 860 CE LYS A 59 2.711 -9.424 -3.166 1.00 0.00 C ATOM 861 NZ LYS A 59 1.373 -9.993 -3.497 1.00 0.00 N ATOM 0 H LYS A 59 2.237 -12.726 1.476 1.00 0.00 H new ATOM 0 HA LYS A 59 3.965 -12.185 -0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.802 -11.030 0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.895 -10.267 1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.496 -8.871 -0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.189 -9.241 -0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.315 -10.620 -2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.719 -11.295 -2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.625 -8.405 -2.789 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.353 -9.385 -4.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.915 -9.404 -4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.487 -10.961 -3.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.782 -10.012 -2.641 1.00 0.00 H new ATOM 875 N LYS A 60 5.104 -11.345 2.166 1.00 0.00 N ATOM 876 CA LYS A 60 6.383 -11.065 2.871 1.00 0.00 C ATOM 877 C LYS A 60 7.204 -12.354 2.977 1.00 0.00 C ATOM 878 O LYS A 60 8.413 -12.323 3.094 1.00 0.00 O ATOM 879 CB LYS A 60 5.976 -10.567 4.258 1.00 0.00 C ATOM 880 CG LYS A 60 6.999 -9.540 4.748 1.00 0.00 C ATOM 881 CD LYS A 60 8.329 -10.241 5.035 1.00 0.00 C ATOM 882 CE LYS A 60 8.826 -9.838 6.426 1.00 0.00 C ATOM 883 NZ LYS A 60 8.940 -8.349 6.386 1.00 0.00 N ATOM 0 H LYS A 60 4.267 -11.308 2.748 1.00 0.00 H new ATOM 0 HA LYS A 60 6.998 -10.332 2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.983 -10.118 4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.921 -11.403 4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.140 -8.764 3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.633 -9.048 5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.202 -11.322 4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.067 -9.969 4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.130 -10.159 7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.787 -10.301 6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.742 -8.046 6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.095 -8.039 5.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.063 -7.924 6.749 1.00 0.00 H new ATOM 897 N LEU A 61 6.554 -13.488 2.937 1.00 0.00 N ATOM 898 CA LEU A 61 7.295 -14.779 3.034 1.00 0.00 C ATOM 899 C LEU A 61 7.960 -15.117 1.697 1.00 0.00 C ATOM 900 O LEU A 61 8.526 -16.179 1.526 1.00 0.00 O ATOM 901 CB LEU A 61 6.232 -15.821 3.387 1.00 0.00 C ATOM 902 CG LEU A 61 6.320 -16.161 4.878 1.00 0.00 C ATOM 903 CD1 LEU A 61 6.434 -14.871 5.694 1.00 0.00 C ATOM 904 CD2 LEU A 61 5.059 -16.919 5.301 1.00 0.00 C ATOM 0 H LEU A 61 5.542 -13.575 2.841 1.00 0.00 H new ATOM 0 HA LEU A 61 8.091 -14.741 3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.240 -15.438 3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.378 -16.721 2.789 1.00 0.00 H new ATOM 0 HG LEU A 61 7.198 -16.781 5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.496 -15.116 6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.330 -14.328 5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.557 -14.249 5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.119 -17.162 6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.183 -16.297 5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.976 -17.839 4.722 1.00 0.00 H new