USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 538 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 40 MET CE :methyl 164:sc= 0 (180deg=-0.106) USER MOD Set 1.2: A 75 THR OG1 : rot 1:sc= 0.122 USER MOD Set 1.3: A 79 TYR OH : rot -1:sc= 1.39 USER MOD Set 2.1: A 24 HIS : no HD1:sc= -1.4! C(o=-3.1!,f=-4.1!) USER MOD Set 2.2: A 65 THR OG1 : rot -50:sc= -1.71! USER MOD Single : A 6 SER OG : rot 180:sc= -0.939 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0549 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0383 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0307) USER MOD Single : A 41 THR OG1 : rot -61:sc= 0.853 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 156:sc= -0.702 (180deg=-2.32!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.272 USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00114 USER MOD Single : A 96 SER OG : rot -122:sc= 0.197 USER MOD Single : A 98 THR OG1 : rot 33:sc= 0.426 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 56 N LEU A 4 9.587 2.952 -5.081 1.00 0.91 N ATOM 57 CA LEU A 4 9.651 1.724 -5.857 1.00 0.77 C ATOM 58 C LEU A 4 9.631 2.068 -7.348 1.00 0.73 C ATOM 59 O LEU A 4 9.445 3.226 -7.719 1.00 0.84 O ATOM 60 CB LEU A 4 8.539 0.763 -5.432 1.00 0.98 C ATOM 61 CG LEU A 4 7.160 1.021 -6.043 1.00 0.61 C ATOM 62 CD1 LEU A 4 6.886 2.521 -6.166 1.00 0.78 C ATOM 63 CD2 LEU A 4 7.011 0.298 -7.383 1.00 0.57 C ATOM 0 HA LEU A 4 10.586 1.198 -5.663 1.00 0.77 H new ATOM 0 HB2 LEU A 4 8.844 -0.251 -5.689 1.00 0.98 H new ATOM 0 HB3 LEU A 4 8.447 0.803 -4.347 1.00 0.98 H new ATOM 0 HG LEU A 4 6.406 0.611 -5.371 1.00 0.61 H new ATOM 0 HD11 LEU A 4 5.900 2.676 -6.603 1.00 0.78 H new ATOM 0 HD12 LEU A 4 6.921 2.980 -5.178 1.00 0.78 H new ATOM 0 HD13 LEU A 4 7.642 2.978 -6.805 1.00 0.78 H new ATOM 0 HD21 LEU A 4 6.022 0.498 -7.796 1.00 0.57 H new ATOM 0 HD22 LEU A 4 7.773 0.655 -8.076 1.00 0.57 H new ATOM 0 HD23 LEU A 4 7.132 -0.775 -7.233 1.00 0.57 H new ATOM 75 N VAL A 5 9.824 1.040 -8.161 1.00 0.64 N ATOM 76 CA VAL A 5 9.829 1.218 -9.603 1.00 0.63 C ATOM 77 C VAL A 5 8.439 1.662 -10.064 1.00 0.59 C ATOM 78 O VAL A 5 8.188 2.855 -10.231 1.00 0.69 O ATOM 79 CB VAL A 5 10.304 -0.066 -10.287 1.00 0.65 C ATOM 80 CG1 VAL A 5 10.161 0.039 -11.808 1.00 0.73 C ATOM 81 CG2 VAL A 5 11.746 -0.394 -9.894 1.00 0.74 C ATOM 0 H VAL A 5 9.978 0.081 -7.849 1.00 0.64 H new ATOM 0 HA VAL A 5 10.531 2.002 -9.888 1.00 0.63 H new ATOM 0 HB VAL A 5 9.669 -0.883 -9.946 1.00 0.65 H new ATOM 0 HG11 VAL A 5 10.505 -0.886 -12.271 1.00 0.73 H new ATOM 0 HG12 VAL A 5 9.115 0.205 -12.064 1.00 0.73 H new ATOM 0 HG13 VAL A 5 10.761 0.872 -12.173 1.00 0.73 H new ATOM 0 HG21 VAL A 5 12.060 -1.311 -10.393 1.00 0.74 H new ATOM 0 HG22 VAL A 5 12.400 0.425 -10.194 1.00 0.74 H new ATOM 0 HG23 VAL A 5 11.807 -0.530 -8.814 1.00 0.74 H new ATOM 91 N SER A 6 7.573 0.678 -10.257 1.00 0.55 N ATOM 92 CA SER A 6 6.214 0.953 -10.694 1.00 0.54 C ATOM 93 C SER A 6 5.222 0.149 -9.853 1.00 0.49 C ATOM 94 O SER A 6 5.545 -0.936 -9.372 1.00 0.48 O ATOM 95 CB SER A 6 6.039 0.627 -12.178 1.00 0.60 C ATOM 96 OG SER A 6 7.193 0.969 -12.941 1.00 0.65 O ATOM 0 H SER A 6 7.785 -0.310 -10.119 1.00 0.55 H new ATOM 0 HA SER A 6 6.017 2.016 -10.557 1.00 0.54 H new ATOM 0 HB2 SER A 6 5.831 -0.437 -12.293 1.00 0.60 H new ATOM 0 HB3 SER A 6 5.175 1.165 -12.568 1.00 0.60 H new ATOM 0 HG SER A 6 7.041 0.744 -13.883 1.00 0.65 H new ATOM 102 N SER A 7 4.032 0.712 -9.700 1.00 0.47 N ATOM 103 CA SER A 7 2.989 0.062 -8.925 1.00 0.42 C ATOM 104 C SER A 7 1.617 0.586 -9.350 1.00 0.44 C ATOM 105 O SER A 7 1.522 1.611 -10.025 1.00 0.48 O ATOM 106 CB SER A 7 3.200 0.281 -7.426 1.00 0.38 C ATOM 107 OG SER A 7 3.188 1.664 -7.081 1.00 0.36 O ATOM 0 H SER A 7 3.767 1.612 -10.100 1.00 0.47 H new ATOM 0 HA SER A 7 3.037 -1.010 -9.119 1.00 0.42 H new ATOM 0 HB2 SER A 7 2.419 -0.238 -6.870 1.00 0.38 H new ATOM 0 HB3 SER A 7 4.151 -0.159 -7.126 1.00 0.38 H new ATOM 0 HG SER A 7 3.324 1.761 -6.115 1.00 0.36 H new ATOM 113 N THR A 8 0.588 -0.138 -8.938 1.00 0.43 N ATOM 114 CA THR A 8 -0.775 0.241 -9.268 1.00 0.46 C ATOM 115 C THR A 8 -1.683 0.083 -8.046 1.00 0.43 C ATOM 116 O THR A 8 -2.667 -0.655 -8.090 1.00 0.44 O ATOM 117 CB THR A 8 -1.222 -0.595 -10.469 1.00 0.51 C ATOM 118 OG1 THR A 8 -0.374 -0.160 -11.529 1.00 0.62 O ATOM 119 CG2 THR A 8 -2.630 -0.232 -10.945 1.00 0.63 C ATOM 0 H THR A 8 0.671 -0.986 -8.378 1.00 0.43 H new ATOM 0 HA THR A 8 -0.836 1.293 -9.546 1.00 0.46 H new ATOM 0 HB THR A 8 -1.190 -1.653 -10.207 1.00 0.51 H new ATOM 0 HG1 THR A 8 -0.594 -0.652 -12.347 1.00 0.62 H new ATOM 0 HG21 THR A 8 -2.897 -0.855 -11.799 1.00 0.63 H new ATOM 0 HG22 THR A 8 -3.342 -0.399 -10.137 1.00 0.63 H new ATOM 0 HG23 THR A 8 -2.655 0.817 -11.239 1.00 0.63 H new ATOM 127 N PRO A 9 -1.312 0.807 -6.957 1.00 0.41 N ATOM 128 CA PRO A 9 -2.082 0.755 -5.725 1.00 0.40 C ATOM 129 C PRO A 9 -3.380 1.553 -5.856 1.00 0.46 C ATOM 130 O PRO A 9 -4.470 0.986 -5.799 1.00 0.47 O ATOM 131 CB PRO A 9 -1.151 1.304 -4.656 1.00 0.39 C ATOM 132 CG PRO A 9 -0.070 2.072 -5.399 1.00 0.40 C ATOM 133 CD PRO A 9 -0.153 1.691 -6.869 1.00 0.41 C ATOM 0 HA PRO A 9 -2.404 -0.255 -5.472 1.00 0.40 H new ATOM 0 HB2 PRO A 9 -1.689 1.955 -3.967 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -0.720 0.498 -4.062 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -0.211 3.146 -5.275 1.00 0.40 H new ATOM 0 HG3 PRO A 9 0.914 1.831 -4.997 1.00 0.40 H new ATOM 0 HD2 PRO A 9 -0.277 2.571 -7.500 1.00 0.41 H new ATOM 0 HD3 PRO A 9 0.755 1.187 -7.200 1.00 0.41 H new ATOM 141 N ALA A 10 -3.221 2.857 -6.029 1.00 0.55 N ATOM 142 CA ALA A 10 -4.367 3.739 -6.168 1.00 0.62 C ATOM 143 C ALA A 10 -3.918 5.187 -5.965 1.00 0.51 C ATOM 144 O ALA A 10 -4.566 5.948 -5.249 1.00 0.50 O ATOM 145 CB ALA A 10 -5.455 3.322 -5.176 1.00 0.71 C ATOM 0 H ALA A 10 -2.315 3.324 -6.076 1.00 0.55 H new ATOM 0 HA ALA A 10 -4.791 3.662 -7.169 1.00 0.62 H new ATOM 0 HB1 ALA A 10 -6.315 3.984 -5.280 1.00 0.71 H new ATOM 0 HB2 ALA A 10 -5.760 2.296 -5.380 1.00 0.71 H new ATOM 0 HB3 ALA A 10 -5.066 3.389 -4.160 1.00 0.71 H new ATOM 151 N GLU A 11 -2.810 5.525 -6.610 1.00 0.50 N ATOM 152 CA GLU A 11 -2.267 6.869 -6.510 1.00 0.49 C ATOM 153 C GLU A 11 -3.376 7.906 -6.697 1.00 0.56 C ATOM 154 O GLU A 11 -3.892 8.075 -7.801 1.00 0.71 O ATOM 155 CB GLU A 11 -1.140 7.082 -7.523 1.00 0.68 C ATOM 156 CG GLU A 11 0.178 7.405 -6.817 1.00 0.77 C ATOM 157 CD GLU A 11 1.031 8.357 -7.657 1.00 1.97 C ATOM 158 OE1 GLU A 11 0.485 9.174 -8.415 1.00 3.08 O ATOM 159 OE2 GLU A 11 2.305 8.230 -7.502 1.00 2.51 O ATOM 0 H GLU A 11 -2.274 4.891 -7.203 1.00 0.50 H new ATOM 0 HA GLU A 11 -1.844 6.995 -5.513 1.00 0.49 H new ATOM 0 HB2 GLU A 11 -1.020 6.186 -8.133 1.00 0.68 H new ATOM 0 HB3 GLU A 11 -1.403 7.895 -8.199 1.00 0.68 H new ATOM 0 HG2 GLU A 11 -0.027 7.855 -5.846 1.00 0.77 H new ATOM 0 HG3 GLU A 11 0.730 6.484 -6.631 1.00 0.77 H new ATOM 166 N GLY A 12 -3.712 8.572 -5.602 1.00 0.49 N ATOM 167 CA GLY A 12 -4.750 9.588 -5.633 1.00 0.60 C ATOM 168 C GLY A 12 -5.877 9.192 -6.589 1.00 0.84 C ATOM 169 O GLY A 12 -6.240 9.959 -7.479 1.00 1.20 O ATOM 0 H GLY A 12 -3.284 8.428 -4.688 1.00 0.49 H new ATOM 0 HA2 GLY A 12 -5.153 9.732 -4.630 1.00 0.60 H new ATOM 0 HA3 GLY A 12 -4.322 10.541 -5.945 1.00 0.60 H new ATOM 173 N SER A 13 -6.399 7.993 -6.373 1.00 0.72 N ATOM 174 CA SER A 13 -7.477 7.485 -7.203 1.00 0.94 C ATOM 175 C SER A 13 -8.813 7.633 -6.475 1.00 0.88 C ATOM 176 O SER A 13 -9.023 7.024 -5.427 1.00 0.88 O ATOM 177 CB SER A 13 -7.237 6.023 -7.583 1.00 1.27 C ATOM 178 OG SER A 13 -7.368 5.807 -8.986 1.00 1.71 O ATOM 0 H SER A 13 -6.095 7.359 -5.634 1.00 0.72 H new ATOM 0 HA SER A 13 -7.506 8.070 -8.122 1.00 0.94 H new ATOM 0 HB2 SER A 13 -6.239 5.724 -7.262 1.00 1.27 H new ATOM 0 HB3 SER A 13 -7.946 5.389 -7.051 1.00 1.27 H new ATOM 0 HG SER A 13 -7.206 4.862 -9.188 1.00 1.71 H new ATOM 184 N GLU A 14 -9.683 8.444 -7.058 1.00 0.95 N ATOM 185 CA GLU A 14 -10.995 8.679 -6.477 1.00 1.09 C ATOM 186 C GLU A 14 -12.057 7.865 -7.219 1.00 1.26 C ATOM 187 O GLU A 14 -12.216 8.003 -8.430 1.00 1.39 O ATOM 188 CB GLU A 14 -11.339 10.169 -6.487 1.00 1.38 C ATOM 189 CG GLU A 14 -10.173 11.006 -5.959 1.00 1.45 C ATOM 190 CD GLU A 14 -10.234 12.437 -6.499 1.00 1.87 C ATOM 191 OE1 GLU A 14 -11.038 13.224 -5.868 1.00 3.09 O ATOM 192 OE2 GLU A 14 -9.542 12.761 -7.475 1.00 2.40 O ATOM 0 H GLU A 14 -9.506 8.947 -7.927 1.00 0.95 H new ATOM 0 HA GLU A 14 -10.975 8.352 -5.438 1.00 1.09 H new ATOM 0 HB2 GLU A 14 -11.585 10.482 -7.502 1.00 1.38 H new ATOM 0 HB3 GLU A 14 -12.224 10.345 -5.875 1.00 1.38 H new ATOM 0 HG2 GLU A 14 -10.198 11.024 -4.869 1.00 1.45 H new ATOM 0 HG3 GLU A 14 -9.229 10.544 -6.249 1.00 1.45 H new ATOM 199 N GLY A 15 -12.757 7.035 -6.459 1.00 1.33 N ATOM 200 CA GLY A 15 -13.800 6.199 -7.029 1.00 1.65 C ATOM 201 C GLY A 15 -14.631 5.535 -5.930 1.00 0.98 C ATOM 202 O GLY A 15 -15.660 6.068 -5.517 1.00 0.63 O ATOM 0 H GLY A 15 -12.622 6.924 -5.454 1.00 1.33 H new ATOM 0 HA2 GLY A 15 -14.448 6.802 -7.665 1.00 1.65 H new ATOM 0 HA3 GLY A 15 -13.352 5.434 -7.664 1.00 1.65 H new ATOM 206 N ALA A 16 -14.155 4.380 -5.488 1.00 1.15 N ATOM 207 CA ALA A 16 -14.842 3.638 -4.444 1.00 1.01 C ATOM 208 C ALA A 16 -14.032 2.386 -4.098 1.00 1.56 C ATOM 209 O ALA A 16 -12.892 2.239 -4.536 1.00 2.10 O ATOM 210 CB ALA A 16 -16.262 3.304 -4.906 1.00 1.44 C ATOM 0 H ALA A 16 -13.302 3.940 -5.834 1.00 1.15 H new ATOM 0 HA ALA A 16 -14.926 4.238 -3.538 1.00 1.01 H new ATOM 0 HB1 ALA A 16 -16.778 2.747 -4.123 1.00 1.44 H new ATOM 0 HB2 ALA A 16 -16.804 4.227 -5.112 1.00 1.44 H new ATOM 0 HB3 ALA A 16 -16.217 2.699 -5.812 1.00 1.44 H new ATOM 216 N ALA A 17 -14.654 1.516 -3.315 1.00 1.71 N ATOM 217 CA ALA A 17 -14.005 0.283 -2.905 1.00 2.24 C ATOM 218 C ALA A 17 -13.292 -0.338 -4.108 1.00 1.75 C ATOM 219 O ALA A 17 -13.938 -0.832 -5.030 1.00 1.51 O ATOM 220 CB ALA A 17 -15.042 -0.660 -2.292 1.00 2.90 C ATOM 0 H ALA A 17 -15.600 1.641 -2.954 1.00 1.71 H new ATOM 0 HA ALA A 17 -13.252 0.481 -2.142 1.00 2.24 H new ATOM 0 HB1 ALA A 17 -14.555 -1.585 -1.984 1.00 2.90 H new ATOM 0 HB2 ALA A 17 -15.499 -0.184 -1.424 1.00 2.90 H new ATOM 0 HB3 ALA A 17 -15.812 -0.883 -3.030 1.00 2.90 H new ATOM 226 N PRO A 18 -11.933 -0.292 -4.058 1.00 1.71 N ATOM 227 CA PRO A 18 -11.126 -0.843 -5.132 1.00 1.34 C ATOM 228 C PRO A 18 -11.109 -2.372 -5.076 1.00 1.15 C ATOM 229 O PRO A 18 -11.861 -2.977 -4.313 1.00 1.93 O ATOM 230 CB PRO A 18 -9.748 -0.228 -4.943 1.00 1.59 C ATOM 231 CG PRO A 18 -9.710 0.278 -3.511 1.00 2.03 C ATOM 232 CD PRO A 18 -11.134 0.286 -2.981 1.00 2.11 C ATOM 0 HA PRO A 18 -11.522 -0.607 -6.120 1.00 1.34 H new ATOM 0 HB2 PRO A 18 -8.964 -0.965 -5.118 1.00 1.59 H new ATOM 0 HB3 PRO A 18 -9.583 0.586 -5.649 1.00 1.59 H new ATOM 0 HG2 PRO A 18 -9.078 -0.363 -2.896 1.00 2.03 H new ATOM 0 HG3 PRO A 18 -9.282 1.280 -3.471 1.00 2.03 H new ATOM 0 HD2 PRO A 18 -11.219 -0.300 -2.066 1.00 2.11 H new ATOM 0 HD3 PRO A 18 -11.462 1.298 -2.743 1.00 2.11 H new ATOM 240 N ALA A 19 -10.245 -2.953 -5.895 1.00 0.56 N ATOM 241 CA ALA A 19 -10.121 -4.400 -5.948 1.00 0.60 C ATOM 242 C ALA A 19 -8.894 -4.833 -5.143 1.00 0.53 C ATOM 243 O ALA A 19 -9.026 -5.410 -4.065 1.00 0.53 O ATOM 244 CB ALA A 19 -10.050 -4.853 -7.409 1.00 0.83 C ATOM 0 H ALA A 19 -9.624 -2.448 -6.527 1.00 0.56 H new ATOM 0 HA ALA A 19 -10.993 -4.877 -5.500 1.00 0.60 H new ATOM 0 HB1 ALA A 19 -9.957 -5.938 -7.449 1.00 0.83 H new ATOM 0 HB2 ALA A 19 -10.958 -4.547 -7.929 1.00 0.83 H new ATOM 0 HB3 ALA A 19 -9.185 -4.397 -7.890 1.00 0.83 H new ATOM 250 N LYS A 20 -7.728 -4.537 -5.698 1.00 0.51 N ATOM 251 CA LYS A 20 -6.478 -4.889 -5.046 1.00 0.47 C ATOM 252 C LYS A 20 -5.370 -3.954 -5.536 1.00 0.48 C ATOM 253 O LYS A 20 -5.420 -3.466 -6.664 1.00 0.59 O ATOM 254 CB LYS A 20 -6.165 -6.372 -5.249 1.00 0.51 C ATOM 255 CG LYS A 20 -5.949 -6.689 -6.731 1.00 0.60 C ATOM 256 CD LYS A 20 -7.141 -7.453 -7.308 1.00 1.43 C ATOM 257 CE LYS A 20 -7.090 -7.475 -8.838 1.00 1.77 C ATOM 258 NZ LYS A 20 -8.397 -7.891 -9.394 1.00 2.83 N ATOM 0 H LYS A 20 -7.622 -4.057 -6.592 1.00 0.51 H new ATOM 0 HA LYS A 20 -6.560 -4.750 -3.968 1.00 0.47 H new ATOM 0 HB2 LYS A 20 -5.273 -6.640 -4.682 1.00 0.51 H new ATOM 0 HB3 LYS A 20 -6.984 -6.977 -4.860 1.00 0.51 H new ATOM 0 HG2 LYS A 20 -5.803 -5.763 -7.287 1.00 0.60 H new ATOM 0 HG3 LYS A 20 -5.041 -7.280 -6.851 1.00 0.60 H new ATOM 0 HD2 LYS A 20 -7.143 -8.474 -6.926 1.00 1.43 H new ATOM 0 HD3 LYS A 20 -8.070 -6.988 -6.978 1.00 1.43 H new ATOM 0 HE2 LYS A 20 -6.827 -6.486 -9.213 1.00 1.77 H new ATOM 0 HE3 LYS A 20 -6.311 -8.161 -9.172 1.00 1.77 H new ATOM 0 HZ1 LYS A 20 -8.345 -7.901 -10.433 1.00 2.83 H new ATOM 0 HZ2 LYS A 20 -8.633 -8.844 -9.050 1.00 2.83 H new ATOM 0 HZ3 LYS A 20 -9.132 -7.221 -9.090 1.00 2.83 H new ATOM 272 N ILE A 21 -4.397 -3.733 -4.665 1.00 0.40 N ATOM 273 CA ILE A 21 -3.279 -2.866 -4.997 1.00 0.41 C ATOM 274 C ILE A 21 -2.200 -3.682 -5.712 1.00 0.39 C ATOM 275 O ILE A 21 -2.006 -4.859 -5.412 1.00 0.37 O ATOM 276 CB ILE A 21 -2.775 -2.143 -3.746 1.00 0.41 C ATOM 277 CG1 ILE A 21 -3.553 -0.847 -3.511 1.00 0.45 C ATOM 278 CG2 ILE A 21 -1.266 -1.898 -3.825 1.00 0.42 C ATOM 279 CD1 ILE A 21 -4.341 -0.909 -2.201 1.00 0.49 C ATOM 0 H ILE A 21 -4.359 -4.139 -3.730 1.00 0.40 H new ATOM 0 HA ILE A 21 -3.595 -2.083 -5.686 1.00 0.41 H new ATOM 0 HB ILE A 21 -2.953 -2.787 -2.885 1.00 0.41 H new ATOM 0 HG12 ILE A 21 -2.862 -0.004 -3.484 1.00 0.45 H new ATOM 0 HG13 ILE A 21 -4.236 -0.673 -4.342 1.00 0.45 H new ATOM 0 HG21 ILE A 21 -0.933 -1.383 -2.924 1.00 0.42 H new ATOM 0 HG22 ILE A 21 -0.746 -2.852 -3.910 1.00 0.42 H new ATOM 0 HG23 ILE A 21 -1.042 -1.284 -4.697 1.00 0.42 H new ATOM 0 HD11 ILE A 21 -4.885 0.025 -2.059 1.00 0.49 H new ATOM 0 HD12 ILE A 21 -5.048 -1.738 -2.240 1.00 0.49 H new ATOM 0 HD13 ILE A 21 -3.653 -1.058 -1.369 1.00 0.49 H new ATOM 291 N GLU A 22 -1.528 -3.024 -6.644 1.00 0.43 N ATOM 292 CA GLU A 22 -0.474 -3.674 -7.405 1.00 0.44 C ATOM 293 C GLU A 22 0.870 -2.993 -7.138 1.00 0.42 C ATOM 294 O GLU A 22 0.920 -1.792 -6.874 1.00 0.40 O ATOM 295 CB GLU A 22 -0.799 -3.677 -8.900 1.00 0.50 C ATOM 296 CG GLU A 22 -0.849 -5.106 -9.446 1.00 0.52 C ATOM 297 CD GLU A 22 -1.020 -5.106 -10.967 1.00 0.89 C ATOM 298 OE1 GLU A 22 0.080 -5.068 -11.640 1.00 1.79 O ATOM 299 OE2 GLU A 22 -2.156 -5.140 -11.463 1.00 2.34 O ATOM 0 H GLU A 22 -1.692 -2.048 -6.890 1.00 0.43 H new ATOM 0 HA GLU A 22 -0.405 -4.712 -7.080 1.00 0.44 H new ATOM 0 HB2 GLU A 22 -1.757 -3.185 -9.069 1.00 0.50 H new ATOM 0 HB3 GLU A 22 -0.047 -3.103 -9.441 1.00 0.50 H new ATOM 0 HG2 GLU A 22 0.067 -5.633 -9.179 1.00 0.52 H new ATOM 0 HG3 GLU A 22 -1.674 -5.647 -8.984 1.00 0.52 H new ATOM 306 N LEU A 23 1.926 -3.789 -7.216 1.00 0.43 N ATOM 307 CA LEU A 23 3.268 -3.278 -6.987 1.00 0.43 C ATOM 308 C LEU A 23 4.260 -4.054 -7.855 1.00 0.48 C ATOM 309 O LEU A 23 4.103 -5.257 -8.060 1.00 0.51 O ATOM 310 CB LEU A 23 3.603 -3.306 -5.495 1.00 0.42 C ATOM 311 CG LEU A 23 2.635 -2.558 -4.575 1.00 0.39 C ATOM 312 CD1 LEU A 23 2.698 -3.110 -3.149 1.00 0.42 C ATOM 313 CD2 LEU A 23 2.890 -1.051 -4.619 1.00 0.39 C ATOM 0 H LEU A 23 1.880 -4.784 -7.435 1.00 0.43 H new ATOM 0 HA LEU A 23 3.334 -2.232 -7.286 1.00 0.43 H new ATOM 0 HB2 LEU A 23 3.648 -4.346 -5.173 1.00 0.42 H new ATOM 0 HB3 LEU A 23 4.600 -2.886 -5.359 1.00 0.42 H new ATOM 0 HG LEU A 23 1.621 -2.722 -4.939 1.00 0.39 H new ATOM 0 HD11 LEU A 23 2.001 -2.562 -2.515 1.00 0.42 H new ATOM 0 HD12 LEU A 23 2.429 -4.166 -3.155 1.00 0.42 H new ATOM 0 HD13 LEU A 23 3.709 -2.996 -2.759 1.00 0.42 H new ATOM 0 HD21 LEU A 23 2.189 -0.544 -3.956 1.00 0.39 H new ATOM 0 HD22 LEU A 23 3.910 -0.845 -4.294 1.00 0.39 H new ATOM 0 HD23 LEU A 23 2.754 -0.688 -5.638 1.00 0.39 H new ATOM 325 N HIS A 24 5.260 -3.334 -8.343 1.00 0.49 N ATOM 326 CA HIS A 24 6.278 -3.940 -9.183 1.00 0.55 C ATOM 327 C HIS A 24 7.663 -3.474 -8.730 1.00 0.59 C ATOM 328 O HIS A 24 7.794 -2.424 -8.104 1.00 0.60 O ATOM 329 CB HIS A 24 6.008 -3.646 -10.661 1.00 0.60 C ATOM 330 CG HIS A 24 4.931 -4.510 -11.272 1.00 0.59 C ATOM 331 ND1 HIS A 24 5.203 -5.705 -11.914 1.00 0.64 N ATOM 332 CD2 HIS A 24 3.578 -4.341 -11.331 1.00 0.63 C ATOM 333 CE1 HIS A 24 4.059 -6.223 -12.338 1.00 0.64 C ATOM 334 NE2 HIS A 24 3.053 -5.375 -11.975 1.00 0.62 N ATOM 0 H HIS A 24 5.386 -2.336 -8.172 1.00 0.49 H new ATOM 0 HA HIS A 24 6.245 -5.024 -9.075 1.00 0.55 H new ATOM 0 HB2 HIS A 24 5.723 -2.599 -10.767 1.00 0.60 H new ATOM 0 HB3 HIS A 24 6.932 -3.783 -11.223 1.00 0.60 H new ATOM 0 HD2 HIS A 24 3.028 -3.506 -10.922 1.00 0.63 H new ATOM 0 HE1 HIS A 24 3.943 -7.152 -12.876 1.00 0.64 H new ATOM 0 HE2 HIS A 24 2.061 -5.514 -12.167 1.00 0.62 H new ATOM 342 N PHE A 25 8.661 -4.278 -9.065 1.00 0.65 N ATOM 343 CA PHE A 25 10.032 -3.962 -8.700 1.00 0.70 C ATOM 344 C PHE A 25 11.020 -4.584 -9.687 1.00 0.75 C ATOM 345 O PHE A 25 11.230 -5.796 -9.679 1.00 1.01 O ATOM 346 CB PHE A 25 10.274 -4.556 -7.311 1.00 0.75 C ATOM 347 CG PHE A 25 10.019 -3.577 -6.162 1.00 0.90 C ATOM 348 CD1 PHE A 25 8.744 -3.272 -5.800 1.00 1.45 C ATOM 349 CD2 PHE A 25 11.066 -3.014 -5.504 1.00 2.40 C ATOM 350 CE1 PHE A 25 8.506 -2.364 -4.734 1.00 1.56 C ATOM 351 CE2 PHE A 25 10.828 -2.107 -4.438 1.00 2.69 C ATOM 352 CZ PHE A 25 9.554 -1.800 -4.076 1.00 1.61 C ATOM 0 H PHE A 25 8.548 -5.148 -9.585 1.00 0.65 H new ATOM 0 HA PHE A 25 10.180 -2.882 -8.712 1.00 0.70 H new ATOM 0 HB2 PHE A 25 9.631 -5.427 -7.182 1.00 0.75 H new ATOM 0 HB3 PHE A 25 11.304 -4.909 -7.252 1.00 0.75 H new ATOM 0 HD1 PHE A 25 7.912 -3.720 -6.323 1.00 1.45 H new ATOM 0 HD2 PHE A 25 12.078 -3.256 -5.792 1.00 2.40 H new ATOM 0 HE1 PHE A 25 7.494 -2.122 -4.446 1.00 1.56 H new ATOM 0 HE2 PHE A 25 11.660 -1.660 -3.914 1.00 2.69 H new ATOM 0 HZ PHE A 25 9.374 -1.108 -3.266 1.00 1.61 H new ATOM 362 N SER A 26 11.601 -3.728 -10.514 1.00 0.67 N ATOM 363 CA SER A 26 12.562 -4.179 -11.506 1.00 0.75 C ATOM 364 C SER A 26 13.863 -4.601 -10.820 1.00 0.83 C ATOM 365 O SER A 26 14.770 -5.119 -11.468 1.00 0.96 O ATOM 366 CB SER A 26 12.838 -3.087 -12.542 1.00 0.91 C ATOM 367 OG SER A 26 12.773 -3.587 -13.875 1.00 1.55 O ATOM 0 H SER A 26 11.425 -2.723 -10.518 1.00 0.67 H new ATOM 0 HA SER A 26 12.138 -5.038 -12.027 1.00 0.75 H new ATOM 0 HB2 SER A 26 12.114 -2.281 -12.421 1.00 0.91 H new ATOM 0 HB3 SER A 26 13.824 -2.659 -12.363 1.00 0.91 H new ATOM 0 HG SER A 26 12.953 -2.859 -14.506 1.00 1.55 H new ATOM 499 N GLY A 35 7.352 -4.748 3.466 1.00 0.74 N ATOM 500 CA GLY A 35 6.005 -4.885 3.993 1.00 1.00 C ATOM 501 C GLY A 35 5.198 -3.604 3.775 1.00 0.96 C ATOM 502 O GLY A 35 5.767 -2.518 3.668 1.00 1.32 O ATOM 0 HA2 GLY A 35 5.504 -5.722 3.507 1.00 1.00 H new ATOM 0 HA3 GLY A 35 6.049 -5.115 5.058 1.00 1.00 H new ATOM 506 N ALA A 36 3.885 -3.771 3.714 1.00 0.61 N ATOM 507 CA ALA A 36 2.994 -2.642 3.510 1.00 0.58 C ATOM 508 C ALA A 36 1.795 -2.767 4.452 1.00 0.50 C ATOM 509 O ALA A 36 1.504 -3.854 4.949 1.00 0.55 O ATOM 510 CB ALA A 36 2.578 -2.579 2.040 1.00 0.72 C ATOM 0 H ALA A 36 3.416 -4.673 3.802 1.00 0.61 H new ATOM 0 HA ALA A 36 3.500 -1.706 3.745 1.00 0.58 H new ATOM 0 HB1 ALA A 36 1.909 -1.732 1.887 1.00 0.72 H new ATOM 0 HB2 ALA A 36 3.464 -2.460 1.416 1.00 0.72 H new ATOM 0 HB3 ALA A 36 2.064 -3.501 1.768 1.00 0.72 H new ATOM 516 N LYS A 37 1.133 -1.641 4.668 1.00 0.46 N ATOM 517 CA LYS A 37 -0.029 -1.611 5.541 1.00 0.49 C ATOM 518 C LYS A 37 -0.925 -0.435 5.150 1.00 0.45 C ATOM 519 O LYS A 37 -0.452 0.692 5.012 1.00 0.43 O ATOM 520 CB LYS A 37 0.405 -1.593 7.009 1.00 0.62 C ATOM 521 CG LYS A 37 0.419 -3.006 7.593 1.00 0.79 C ATOM 522 CD LYS A 37 1.823 -3.389 8.067 1.00 1.72 C ATOM 523 CE LYS A 37 1.804 -3.841 9.529 1.00 1.77 C ATOM 524 NZ LYS A 37 1.525 -2.694 10.422 1.00 2.43 N ATOM 0 H LYS A 37 1.379 -0.742 4.254 1.00 0.46 H new ATOM 0 HA LYS A 37 -0.622 -2.518 5.419 1.00 0.49 H new ATOM 0 HB2 LYS A 37 1.398 -1.151 7.093 1.00 0.62 H new ATOM 0 HB3 LYS A 37 -0.274 -0.964 7.585 1.00 0.62 H new ATOM 0 HG2 LYS A 37 -0.279 -3.065 8.428 1.00 0.79 H new ATOM 0 HG3 LYS A 37 0.078 -3.718 6.841 1.00 0.79 H new ATOM 0 HD2 LYS A 37 2.217 -4.189 7.440 1.00 1.72 H new ATOM 0 HD3 LYS A 37 2.494 -2.537 7.955 1.00 1.72 H new ATOM 0 HE2 LYS A 37 1.045 -4.611 9.668 1.00 1.77 H new ATOM 0 HE3 LYS A 37 2.763 -4.288 9.790 1.00 1.77 H new ATOM 0 HZ1 LYS A 37 1.714 -2.967 11.407 1.00 2.43 H new ATOM 0 HZ2 LYS A 37 2.136 -1.894 10.161 1.00 2.43 H new ATOM 0 HZ3 LYS A 37 0.528 -2.414 10.326 1.00 2.43 H new ATOM 538 N LEU A 38 -2.204 -0.737 4.983 1.00 0.49 N ATOM 539 CA LEU A 38 -3.172 0.282 4.611 1.00 0.52 C ATOM 540 C LEU A 38 -3.826 0.844 5.874 1.00 0.53 C ATOM 541 O LEU A 38 -4.162 0.094 6.790 1.00 0.59 O ATOM 542 CB LEU A 38 -4.172 -0.275 3.596 1.00 0.62 C ATOM 543 CG LEU A 38 -5.453 0.540 3.399 1.00 0.63 C ATOM 544 CD1 LEU A 38 -5.143 2.035 3.324 1.00 0.65 C ATOM 545 CD2 LEU A 38 -6.229 0.052 2.174 1.00 0.96 C ATOM 0 H LEU A 38 -2.593 -1.673 5.098 1.00 0.49 H new ATOM 0 HA LEU A 38 -2.676 1.114 4.112 1.00 0.52 H new ATOM 0 HB2 LEU A 38 -3.670 -0.364 2.633 1.00 0.62 H new ATOM 0 HB3 LEU A 38 -4.450 -1.283 3.905 1.00 0.62 H new ATOM 0 HG LEU A 38 -6.094 0.387 4.267 1.00 0.63 H new ATOM 0 HD11 LEU A 38 -6.069 2.592 3.184 1.00 0.65 H new ATOM 0 HD12 LEU A 38 -4.664 2.354 4.250 1.00 0.65 H new ATOM 0 HD13 LEU A 38 -4.474 2.226 2.485 1.00 0.65 H new ATOM 0 HD21 LEU A 38 -7.135 0.647 2.056 1.00 0.96 H new ATOM 0 HD22 LEU A 38 -5.608 0.156 1.284 1.00 0.96 H new ATOM 0 HD23 LEU A 38 -6.498 -0.996 2.308 1.00 0.96 H new ATOM 557 N VAL A 39 -3.988 2.159 5.884 1.00 0.51 N ATOM 558 CA VAL A 39 -4.595 2.830 7.019 1.00 0.54 C ATOM 559 C VAL A 39 -5.662 3.806 6.519 1.00 0.56 C ATOM 560 O VAL A 39 -5.433 4.545 5.563 1.00 0.57 O ATOM 561 CB VAL A 39 -3.516 3.507 7.866 1.00 0.55 C ATOM 562 CG1 VAL A 39 -2.441 2.504 8.289 1.00 0.57 C ATOM 563 CG2 VAL A 39 -2.897 4.692 7.121 1.00 0.57 C ATOM 0 H VAL A 39 -3.709 2.778 5.123 1.00 0.51 H new ATOM 0 HA VAL A 39 -5.093 2.108 7.667 1.00 0.54 H new ATOM 0 HB VAL A 39 -3.991 3.890 8.769 1.00 0.55 H new ATOM 0 HG11 VAL A 39 -1.686 3.011 8.890 1.00 0.57 H new ATOM 0 HG12 VAL A 39 -2.898 1.708 8.877 1.00 0.57 H new ATOM 0 HG13 VAL A 39 -1.972 2.077 7.402 1.00 0.57 H new ATOM 0 HG21 VAL A 39 -2.133 5.155 7.745 1.00 0.57 H new ATOM 0 HG22 VAL A 39 -2.444 4.342 6.193 1.00 0.57 H new ATOM 0 HG23 VAL A 39 -3.672 5.424 6.893 1.00 0.57 H new ATOM 573 N MET A 40 -6.806 3.775 7.187 1.00 0.60 N ATOM 574 CA MET A 40 -7.909 4.647 6.822 1.00 0.65 C ATOM 575 C MET A 40 -7.805 5.993 7.541 1.00 0.69 C ATOM 576 O MET A 40 -8.234 6.124 8.687 1.00 0.74 O ATOM 577 CB MET A 40 -9.234 3.975 7.186 1.00 0.71 C ATOM 578 CG MET A 40 -10.415 4.911 6.921 1.00 0.81 C ATOM 579 SD MET A 40 -11.901 4.239 7.648 1.00 1.57 S ATOM 580 CE MET A 40 -13.125 5.274 6.862 1.00 2.59 C ATOM 0 H MET A 40 -6.993 3.160 7.979 1.00 0.60 H new ATOM 0 HA MET A 40 -7.865 4.826 5.748 1.00 0.65 H new ATOM 0 HB2 MET A 40 -9.353 3.060 6.606 1.00 0.71 H new ATOM 0 HB3 MET A 40 -9.223 3.687 8.237 1.00 0.71 H new ATOM 0 HG2 MET A 40 -10.209 5.897 7.339 1.00 0.81 H new ATOM 0 HG3 MET A 40 -10.552 5.042 5.848 1.00 0.81 H new ATOM 0 HE1 MET A 40 -14.110 4.821 6.974 1.00 2.59 H new ATOM 0 HE2 MET A 40 -13.123 6.259 7.329 1.00 2.59 H new ATOM 0 HE3 MET A 40 -12.890 5.375 5.802 1.00 2.59 H new ATOM 590 N THR A 41 -7.234 6.961 6.840 1.00 0.69 N ATOM 591 CA THR A 41 -7.069 8.293 7.397 1.00 0.74 C ATOM 592 C THR A 41 -8.084 9.258 6.782 1.00 0.75 C ATOM 593 O THR A 41 -7.705 10.262 6.179 1.00 0.82 O ATOM 594 CB THR A 41 -5.615 8.719 7.180 1.00 0.85 C ATOM 595 OG1 THR A 41 -5.581 10.072 7.624 1.00 0.96 O ATOM 596 CG2 THR A 41 -5.245 8.802 5.698 1.00 0.91 C ATOM 0 H THR A 41 -6.879 6.849 5.890 1.00 0.69 H new ATOM 0 HA THR A 41 -7.269 8.302 8.469 1.00 0.74 H new ATOM 0 HB THR A 41 -4.951 8.014 7.680 1.00 0.85 H new ATOM 0 HG1 THR A 41 -6.189 10.611 7.077 1.00 0.96 H new ATOM 0 HG21 THR A 41 -4.204 9.108 5.600 1.00 0.91 H new ATOM 0 HG22 THR A 41 -5.382 7.825 5.234 1.00 0.91 H new ATOM 0 HG23 THR A 41 -5.886 9.532 5.203 1.00 0.91 H new ATOM 604 N ALA A 42 -9.353 8.922 6.955 1.00 0.72 N ATOM 605 CA ALA A 42 -10.425 9.747 6.424 1.00 0.76 C ATOM 606 C ALA A 42 -10.253 11.182 6.924 1.00 0.93 C ATOM 607 O ALA A 42 -10.069 12.102 6.129 1.00 2.08 O ATOM 608 CB ALA A 42 -11.776 9.148 6.824 1.00 0.83 C ATOM 0 H ALA A 42 -9.664 8.089 7.456 1.00 0.72 H new ATOM 0 HA ALA A 42 -10.388 9.771 5.335 1.00 0.76 H new ATOM 0 HB1 ALA A 42 -12.580 9.767 6.426 1.00 0.83 H new ATOM 0 HB2 ALA A 42 -11.860 8.139 6.420 1.00 0.83 H new ATOM 0 HB3 ALA A 42 -11.850 9.111 7.911 1.00 0.83 H new ATOM 726 N MET A 51 -6.852 4.828 11.410 1.00 1.08 N ATOM 727 CA MET A 51 -7.142 3.464 11.816 1.00 1.05 C ATOM 728 C MET A 51 -6.704 2.467 10.741 1.00 1.02 C ATOM 729 O MET A 51 -7.169 2.530 9.604 1.00 1.16 O ATOM 730 CB MET A 51 -8.644 3.314 12.070 1.00 1.09 C ATOM 731 CG MET A 51 -9.035 3.919 13.419 1.00 1.31 C ATOM 732 SD MET A 51 -9.062 2.648 14.672 1.00 1.96 S ATOM 733 CE MET A 51 -9.210 3.659 16.136 1.00 2.36 C ATOM 0 HA MET A 51 -6.587 3.252 12.730 1.00 1.05 H new ATOM 0 HB2 MET A 51 -9.202 3.804 11.272 1.00 1.09 H new ATOM 0 HB3 MET A 51 -8.917 2.259 12.048 1.00 1.09 H new ATOM 0 HG2 MET A 51 -8.326 4.700 13.696 1.00 1.31 H new ATOM 0 HG3 MET A 51 -10.015 4.390 13.345 1.00 1.31 H new ATOM 0 HE1 MET A 51 -9.241 3.020 17.018 1.00 2.36 H new ATOM 0 HE2 MET A 51 -8.353 4.329 16.203 1.00 2.36 H new ATOM 0 HE3 MET A 51 -10.127 4.246 16.081 1.00 2.36 H new ATOM 743 N ALA A 52 -5.815 1.569 11.139 1.00 0.95 N ATOM 744 CA ALA A 52 -5.309 0.561 10.224 1.00 0.96 C ATOM 745 C ALA A 52 -6.480 -0.249 9.665 1.00 1.06 C ATOM 746 O ALA A 52 -7.566 -0.256 10.243 1.00 1.39 O ATOM 747 CB ALA A 52 -4.285 -0.318 10.947 1.00 1.04 C ATOM 0 H ALA A 52 -5.432 1.519 12.083 1.00 0.95 H new ATOM 0 HA ALA A 52 -4.800 1.029 9.382 1.00 0.96 H new ATOM 0 HB1 ALA A 52 -3.905 -1.074 10.260 1.00 1.04 H new ATOM 0 HB2 ALA A 52 -3.459 0.300 11.299 1.00 1.04 H new ATOM 0 HB3 ALA A 52 -4.761 -0.806 11.798 1.00 1.04 H new ATOM 753 N VAL A 53 -6.221 -0.912 8.547 1.00 0.83 N ATOM 754 CA VAL A 53 -7.241 -1.722 7.904 1.00 0.95 C ATOM 755 C VAL A 53 -6.712 -3.146 7.718 1.00 0.99 C ATOM 756 O VAL A 53 -5.661 -3.347 7.112 1.00 1.43 O ATOM 757 CB VAL A 53 -7.677 -1.070 6.590 1.00 0.96 C ATOM 758 CG1 VAL A 53 -6.889 -1.639 5.409 1.00 0.89 C ATOM 759 CG2 VAL A 53 -9.183 -1.228 6.373 1.00 1.20 C ATOM 0 H VAL A 53 -5.319 -0.904 8.070 1.00 0.83 H new ATOM 0 HA VAL A 53 -8.131 -1.784 8.531 1.00 0.95 H new ATOM 0 HB VAL A 53 -7.459 -0.004 6.655 1.00 0.96 H new ATOM 0 HG11 VAL A 53 -7.218 -1.159 4.487 1.00 0.89 H new ATOM 0 HG12 VAL A 53 -5.826 -1.451 5.557 1.00 0.89 H new ATOM 0 HG13 VAL A 53 -7.061 -2.713 5.340 1.00 0.89 H new ATOM 0 HG21 VAL A 53 -9.467 -0.756 5.432 1.00 1.20 H new ATOM 0 HG22 VAL A 53 -9.436 -2.288 6.338 1.00 1.20 H new ATOM 0 HG23 VAL A 53 -9.721 -0.753 7.194 1.00 1.20 H new ATOM 769 N LYS A 54 -7.465 -4.097 8.251 1.00 0.68 N ATOM 770 CA LYS A 54 -7.085 -5.496 8.151 1.00 0.72 C ATOM 771 C LYS A 54 -6.812 -5.843 6.687 1.00 0.64 C ATOM 772 O LYS A 54 -7.742 -5.987 5.895 1.00 0.82 O ATOM 773 CB LYS A 54 -8.143 -6.386 8.806 1.00 0.86 C ATOM 774 CG LYS A 54 -7.793 -6.667 10.269 1.00 1.77 C ATOM 775 CD LYS A 54 -8.902 -7.468 10.955 1.00 1.85 C ATOM 776 CE LYS A 54 -9.017 -7.093 12.434 1.00 3.21 C ATOM 777 NZ LYS A 54 -10.349 -7.464 12.962 1.00 3.52 N ATOM 0 H LYS A 54 -8.336 -3.926 8.753 1.00 0.68 H new ATOM 0 HA LYS A 54 -6.161 -5.680 8.700 1.00 0.72 H new ATOM 0 HB2 LYS A 54 -9.118 -5.901 8.748 1.00 0.86 H new ATOM 0 HB3 LYS A 54 -8.221 -7.326 8.260 1.00 0.86 H new ATOM 0 HG2 LYS A 54 -6.855 -7.219 10.322 1.00 1.77 H new ATOM 0 HG3 LYS A 54 -7.640 -5.726 10.797 1.00 1.77 H new ATOM 0 HD2 LYS A 54 -9.852 -7.282 10.454 1.00 1.85 H new ATOM 0 HD3 LYS A 54 -8.696 -8.534 10.862 1.00 1.85 H new ATOM 0 HE2 LYS A 54 -8.239 -7.600 13.005 1.00 3.21 H new ATOM 0 HE3 LYS A 54 -8.856 -6.022 12.557 1.00 3.21 H new ATOM 0 HZ1 LYS A 54 -10.409 -7.202 13.967 1.00 3.52 H new ATOM 0 HZ2 LYS A 54 -11.086 -6.961 12.428 1.00 3.52 H new ATOM 0 HZ3 LYS A 54 -10.488 -8.490 12.862 1.00 3.52 H new ATOM 791 N ALA A 55 -5.531 -5.966 6.370 1.00 0.58 N ATOM 792 CA ALA A 55 -5.123 -6.293 5.014 1.00 0.54 C ATOM 793 C ALA A 55 -3.932 -7.252 5.062 1.00 0.57 C ATOM 794 O ALA A 55 -3.405 -7.539 6.135 1.00 0.63 O ATOM 795 CB ALA A 55 -4.804 -5.005 4.252 1.00 0.55 C ATOM 0 H ALA A 55 -4.762 -5.845 7.029 1.00 0.58 H new ATOM 0 HA ALA A 55 -5.930 -6.796 4.481 1.00 0.54 H new ATOM 0 HB1 ALA A 55 -4.498 -5.250 3.235 1.00 0.55 H new ATOM 0 HB2 ALA A 55 -5.690 -4.371 4.221 1.00 0.55 H new ATOM 0 HB3 ALA A 55 -3.996 -4.475 4.756 1.00 0.55 H new ATOM 801 N ALA A 56 -3.543 -7.721 3.886 1.00 0.60 N ATOM 802 CA ALA A 56 -2.425 -8.642 3.779 1.00 0.69 C ATOM 803 C ALA A 56 -1.774 -8.492 2.403 1.00 0.51 C ATOM 804 O ALA A 56 -2.459 -8.237 1.413 1.00 0.46 O ATOM 805 CB ALA A 56 -2.911 -10.069 4.041 1.00 0.91 C ATOM 0 H ALA A 56 -3.983 -7.480 2.998 1.00 0.60 H new ATOM 0 HA ALA A 56 -1.667 -8.413 4.528 1.00 0.69 H new ATOM 0 HB1 ALA A 56 -2.072 -10.760 3.961 1.00 0.91 H new ATOM 0 HB2 ALA A 56 -3.337 -10.130 5.043 1.00 0.91 H new ATOM 0 HB3 ALA A 56 -3.671 -10.335 3.307 1.00 0.91 H new ATOM 811 N VAL A 57 -0.460 -8.655 2.383 1.00 0.55 N ATOM 812 CA VAL A 57 0.291 -8.540 1.145 1.00 0.46 C ATOM 813 C VAL A 57 0.428 -9.924 0.507 1.00 0.50 C ATOM 814 O VAL A 57 0.802 -10.886 1.176 1.00 0.63 O ATOM 815 CB VAL A 57 1.639 -7.868 1.410 1.00 0.59 C ATOM 816 CG1 VAL A 57 2.575 -8.801 2.181 1.00 2.23 C ATOM 817 CG2 VAL A 57 2.284 -7.399 0.105 1.00 2.13 C ATOM 0 H VAL A 57 0.105 -8.866 3.206 1.00 0.55 H new ATOM 0 HA VAL A 57 -0.239 -7.905 0.435 1.00 0.46 H new ATOM 0 HB VAL A 57 1.459 -6.989 2.029 1.00 0.59 H new ATOM 0 HG11 VAL A 57 3.526 -8.299 2.356 1.00 2.23 H new ATOM 0 HG12 VAL A 57 2.121 -9.063 3.137 1.00 2.23 H new ATOM 0 HG13 VAL A 57 2.745 -9.707 1.600 1.00 2.23 H new ATOM 0 HG21 VAL A 57 3.241 -6.925 0.322 1.00 2.13 H new ATOM 0 HG22 VAL A 57 2.444 -8.255 -0.550 1.00 2.13 H new ATOM 0 HG23 VAL A 57 1.628 -6.682 -0.388 1.00 2.13 H new ATOM 827 N SER A 58 0.117 -9.980 -0.780 1.00 0.50 N ATOM 828 CA SER A 58 0.202 -11.231 -1.516 1.00 0.67 C ATOM 829 C SER A 58 0.802 -10.983 -2.901 1.00 0.73 C ATOM 830 O SER A 58 0.296 -10.160 -3.663 1.00 1.22 O ATOM 831 CB SER A 58 -1.174 -11.889 -1.643 1.00 0.88 C ATOM 832 OG SER A 58 -1.994 -11.635 -0.506 1.00 1.13 O ATOM 0 H SER A 58 -0.194 -9.180 -1.332 1.00 0.50 H new ATOM 0 HA SER A 58 0.850 -11.911 -0.963 1.00 0.67 H new ATOM 0 HB2 SER A 58 -1.672 -11.518 -2.539 1.00 0.88 H new ATOM 0 HB3 SER A 58 -1.051 -12.965 -1.768 1.00 0.88 H new ATOM 0 HG SER A 58 -2.864 -12.070 -0.626 1.00 1.13 H new ATOM 838 N GLY A 59 1.872 -11.711 -3.186 1.00 0.61 N ATOM 839 CA GLY A 59 2.546 -11.580 -4.466 1.00 0.61 C ATOM 840 C GLY A 59 1.694 -12.160 -5.597 1.00 0.77 C ATOM 841 O GLY A 59 0.882 -13.056 -5.370 1.00 0.94 O ATOM 0 H GLY A 59 2.288 -12.393 -2.552 1.00 0.61 H new ATOM 0 HA2 GLY A 59 2.754 -10.529 -4.665 1.00 0.61 H new ATOM 0 HA3 GLY A 59 3.507 -12.094 -4.429 1.00 0.61 H new ATOM 885 N LYS A 64 8.367 -10.707 -7.982 1.00 1.08 N ATOM 886 CA LYS A 64 8.771 -9.324 -8.166 1.00 0.92 C ATOM 887 C LYS A 64 7.527 -8.435 -8.217 1.00 0.71 C ATOM 888 O LYS A 64 7.623 -7.217 -8.080 1.00 0.72 O ATOM 889 CB LYS A 64 9.674 -9.189 -9.395 1.00 0.90 C ATOM 890 CG LYS A 64 8.894 -9.464 -10.681 1.00 0.87 C ATOM 891 CD LYS A 64 9.128 -8.358 -11.713 1.00 1.23 C ATOM 892 CE LYS A 64 10.001 -8.860 -12.865 1.00 1.49 C ATOM 893 NZ LYS A 64 11.392 -8.383 -12.706 1.00 2.65 N ATOM 0 HA LYS A 64 9.369 -8.987 -7.320 1.00 0.92 H new ATOM 0 HB2 LYS A 64 10.098 -8.186 -9.430 1.00 0.90 H new ATOM 0 HB3 LYS A 64 10.509 -9.886 -9.316 1.00 0.90 H new ATOM 0 HG2 LYS A 64 9.199 -10.424 -11.097 1.00 0.87 H new ATOM 0 HG3 LYS A 64 7.830 -9.537 -10.456 1.00 0.87 H new ATOM 0 HD2 LYS A 64 8.171 -8.010 -12.102 1.00 1.23 H new ATOM 0 HD3 LYS A 64 9.607 -7.504 -11.234 1.00 1.23 H new ATOM 0 HE2 LYS A 64 9.985 -9.950 -12.893 1.00 1.49 H new ATOM 0 HE3 LYS A 64 9.597 -8.510 -13.815 1.00 1.49 H new ATOM 0 HZ1 LYS A 64 11.971 -8.732 -13.496 1.00 2.65 H new ATOM 0 HZ2 LYS A 64 11.404 -7.343 -12.701 1.00 2.65 H new ATOM 0 HZ3 LYS A 64 11.780 -8.738 -11.809 1.00 2.65 H new ATOM 907 N THR A 65 6.387 -9.080 -8.414 1.00 0.66 N ATOM 908 CA THR A 65 5.124 -8.364 -8.484 1.00 0.53 C ATOM 909 C THR A 65 4.290 -8.627 -7.228 1.00 0.55 C ATOM 910 O THR A 65 3.867 -9.756 -6.986 1.00 0.85 O ATOM 911 CB THR A 65 4.419 -8.774 -9.779 1.00 0.66 C ATOM 912 OG1 THR A 65 5.113 -8.056 -10.795 1.00 0.65 O ATOM 913 CG2 THR A 65 2.987 -8.243 -9.859 1.00 0.77 C ATOM 0 H THR A 65 6.311 -10.091 -8.527 1.00 0.66 H new ATOM 0 HA THR A 65 5.282 -7.286 -8.510 1.00 0.53 H new ATOM 0 HB THR A 65 4.408 -9.861 -9.857 1.00 0.66 H new ATOM 0 HG1 THR A 65 5.175 -7.111 -10.543 1.00 0.65 H new ATOM 0 HG21 THR A 65 2.532 -8.562 -10.797 1.00 0.77 H new ATOM 0 HG22 THR A 65 2.407 -8.634 -9.023 1.00 0.77 H new ATOM 0 HG23 THR A 65 3.000 -7.154 -9.814 1.00 0.77 H new ATOM 921 N MET A 66 4.080 -7.566 -6.464 1.00 0.45 N ATOM 922 CA MET A 66 3.305 -7.668 -5.238 1.00 0.44 C ATOM 923 C MET A 66 1.863 -7.205 -5.462 1.00 0.37 C ATOM 924 O MET A 66 1.599 -6.393 -6.347 1.00 0.36 O ATOM 925 CB MET A 66 3.954 -6.812 -4.150 1.00 0.51 C ATOM 926 CG MET A 66 4.066 -7.587 -2.836 1.00 0.74 C ATOM 927 SD MET A 66 5.047 -9.058 -3.077 1.00 1.88 S ATOM 928 CE MET A 66 6.410 -8.374 -4.005 1.00 1.10 C ATOM 0 H MET A 66 4.433 -6.631 -6.669 1.00 0.45 H new ATOM 0 HA MET A 66 3.288 -8.712 -4.927 1.00 0.44 H new ATOM 0 HB2 MET A 66 4.945 -6.495 -4.475 1.00 0.51 H new ATOM 0 HB3 MET A 66 3.365 -5.908 -3.994 1.00 0.51 H new ATOM 0 HG2 MET A 66 4.521 -6.958 -2.071 1.00 0.74 H new ATOM 0 HG3 MET A 66 3.073 -7.857 -2.478 1.00 0.74 H new ATOM 0 HE1 MET A 66 7.289 -9.006 -3.880 1.00 1.10 H new ATOM 0 HE2 MET A 66 6.144 -8.327 -5.061 1.00 1.10 H new ATOM 0 HE3 MET A 66 6.631 -7.370 -3.641 1.00 1.10 H new ATOM 938 N VAL A 67 0.970 -7.742 -4.643 1.00 0.40 N ATOM 939 CA VAL A 67 -0.437 -7.394 -4.740 1.00 0.36 C ATOM 940 C VAL A 67 -1.038 -7.323 -3.335 1.00 0.36 C ATOM 941 O VAL A 67 -1.079 -8.325 -2.622 1.00 0.43 O ATOM 942 CB VAL A 67 -1.161 -8.389 -5.651 1.00 0.41 C ATOM 943 CG1 VAL A 67 -2.672 -8.154 -5.628 1.00 1.72 C ATOM 944 CG2 VAL A 67 -0.616 -8.322 -7.079 1.00 1.49 C ATOM 0 H VAL A 67 1.194 -8.415 -3.910 1.00 0.40 H new ATOM 0 HA VAL A 67 -0.557 -6.411 -5.195 1.00 0.36 H new ATOM 0 HB VAL A 67 -0.973 -9.392 -5.268 1.00 0.41 H new ATOM 0 HG11 VAL A 67 -3.162 -8.874 -6.283 1.00 1.72 H new ATOM 0 HG12 VAL A 67 -3.044 -8.277 -4.611 1.00 1.72 H new ATOM 0 HG13 VAL A 67 -2.888 -7.143 -5.973 1.00 1.72 H new ATOM 0 HG21 VAL A 67 -1.147 -9.039 -7.705 1.00 1.49 H new ATOM 0 HG22 VAL A 67 -0.759 -7.317 -7.476 1.00 1.49 H new ATOM 0 HG23 VAL A 67 0.447 -8.563 -7.074 1.00 1.49 H new ATOM 954 N ILE A 68 -1.489 -6.129 -2.979 1.00 0.33 N ATOM 955 CA ILE A 68 -2.086 -5.914 -1.672 1.00 0.36 C ATOM 956 C ILE A 68 -3.583 -6.220 -1.743 1.00 0.36 C ATOM 957 O ILE A 68 -4.304 -5.629 -2.545 1.00 0.37 O ATOM 958 CB ILE A 68 -1.770 -4.506 -1.164 1.00 0.41 C ATOM 959 CG1 ILE A 68 -0.532 -4.512 -0.266 1.00 0.49 C ATOM 960 CG2 ILE A 68 -2.983 -3.890 -0.464 1.00 0.47 C ATOM 961 CD1 ILE A 68 0.751 -4.526 -1.100 1.00 0.50 C ATOM 0 H ILE A 68 -1.453 -5.301 -3.573 1.00 0.33 H new ATOM 0 HA ILE A 68 -1.655 -6.597 -0.940 1.00 0.36 H new ATOM 0 HB ILE A 68 -1.541 -3.877 -2.024 1.00 0.41 H new ATOM 0 HG12 ILE A 68 -0.542 -3.633 0.378 1.00 0.49 H new ATOM 0 HG13 ILE A 68 -0.556 -5.385 0.386 1.00 0.49 H new ATOM 0 HG21 ILE A 68 -2.731 -2.889 -0.113 1.00 0.47 H new ATOM 0 HG22 ILE A 68 -3.816 -3.830 -1.165 1.00 0.47 H new ATOM 0 HG23 ILE A 68 -3.268 -4.512 0.385 1.00 0.47 H new ATOM 0 HD11 ILE A 68 1.616 -4.530 -0.437 1.00 0.50 H new ATOM 0 HD12 ILE A 68 0.769 -5.419 -1.725 1.00 0.50 H new ATOM 0 HD13 ILE A 68 0.783 -3.639 -1.733 1.00 0.50 H new ATOM 973 N THR A 69 -4.007 -7.144 -0.893 1.00 0.38 N ATOM 974 CA THR A 69 -5.405 -7.537 -0.850 1.00 0.42 C ATOM 975 C THR A 69 -5.946 -7.424 0.577 1.00 0.46 C ATOM 976 O THR A 69 -5.554 -8.191 1.455 1.00 0.61 O ATOM 977 CB THR A 69 -5.519 -8.946 -1.434 1.00 0.50 C ATOM 978 OG1 THR A 69 -6.110 -8.744 -2.716 1.00 0.54 O ATOM 979 CG2 THR A 69 -6.537 -9.809 -0.686 1.00 0.54 C ATOM 0 H THR A 69 -3.406 -7.632 -0.228 1.00 0.38 H new ATOM 0 HA THR A 69 -6.022 -6.870 -1.452 1.00 0.42 H new ATOM 0 HB THR A 69 -4.543 -9.430 -1.407 1.00 0.50 H new ATOM 0 HG1 THR A 69 -6.219 -9.608 -3.166 1.00 0.54 H new ATOM 0 HG21 THR A 69 -6.579 -10.799 -1.141 1.00 0.54 H new ATOM 0 HG22 THR A 69 -6.238 -9.902 0.358 1.00 0.54 H new ATOM 0 HG23 THR A 69 -7.520 -9.342 -0.742 1.00 0.54 H new ATOM 987 N PRO A 70 -6.861 -6.438 0.768 1.00 0.41 N ATOM 988 CA PRO A 70 -7.460 -6.216 2.073 1.00 0.48 C ATOM 989 C PRO A 70 -8.502 -7.291 2.390 1.00 0.51 C ATOM 990 O PRO A 70 -9.328 -7.629 1.542 1.00 0.50 O ATOM 991 CB PRO A 70 -8.053 -4.818 2.001 1.00 0.52 C ATOM 992 CG PRO A 70 -8.173 -4.492 0.522 1.00 0.49 C ATOM 993 CD PRO A 70 -7.349 -5.511 -0.249 1.00 0.40 C ATOM 0 HA PRO A 70 -6.736 -6.287 2.885 1.00 0.48 H new ATOM 0 HB2 PRO A 70 -9.027 -4.781 2.489 1.00 0.52 H new ATOM 0 HB3 PRO A 70 -7.414 -4.096 2.509 1.00 0.52 H new ATOM 0 HG2 PRO A 70 -9.216 -4.527 0.207 1.00 0.49 H new ATOM 0 HG3 PRO A 70 -7.814 -3.482 0.323 1.00 0.49 H new ATOM 0 HD2 PRO A 70 -7.953 -6.025 -0.996 1.00 0.40 H new ATOM 0 HD3 PRO A 70 -6.524 -5.034 -0.779 1.00 0.40 H new ATOM 1001 N ALA A 71 -8.429 -7.799 3.610 1.00 0.63 N ATOM 1002 CA ALA A 71 -9.355 -8.830 4.049 1.00 0.72 C ATOM 1003 C ALA A 71 -10.748 -8.219 4.219 1.00 0.69 C ATOM 1004 O ALA A 71 -11.744 -8.939 4.268 1.00 0.91 O ATOM 1005 CB ALA A 71 -8.837 -9.468 5.339 1.00 0.88 C ATOM 0 H ALA A 71 -7.743 -7.516 4.310 1.00 0.63 H new ATOM 0 HA ALA A 71 -9.430 -9.621 3.303 1.00 0.72 H new ATOM 0 HB1 ALA A 71 -9.532 -10.241 5.667 1.00 0.88 H new ATOM 0 HB2 ALA A 71 -7.859 -9.913 5.157 1.00 0.88 H new ATOM 0 HB3 ALA A 71 -8.751 -8.705 6.113 1.00 0.88 H new ATOM 1011 N SER A 72 -10.772 -6.897 4.305 1.00 0.64 N ATOM 1012 CA SER A 72 -12.026 -6.182 4.469 1.00 0.66 C ATOM 1013 C SER A 72 -12.230 -5.209 3.305 1.00 0.63 C ATOM 1014 O SER A 72 -11.263 -4.703 2.738 1.00 0.60 O ATOM 1015 CB SER A 72 -12.061 -5.429 5.801 1.00 0.68 C ATOM 1016 OG SER A 72 -13.313 -5.576 6.464 1.00 0.86 O ATOM 0 H SER A 72 -9.944 -6.303 4.264 1.00 0.64 H new ATOM 0 HA SER A 72 -12.837 -6.911 4.472 1.00 0.66 H new ATOM 0 HB2 SER A 72 -11.263 -5.797 6.447 1.00 0.68 H new ATOM 0 HB3 SER A 72 -11.866 -4.371 5.625 1.00 0.68 H new ATOM 0 HG SER A 72 -13.295 -5.083 7.310 1.00 0.86 H new ATOM 1022 N PRO A 73 -13.528 -4.972 2.974 1.00 0.67 N ATOM 1023 CA PRO A 73 -13.870 -4.070 1.888 1.00 0.68 C ATOM 1024 C PRO A 73 -13.674 -2.611 2.305 1.00 0.60 C ATOM 1025 O PRO A 73 -14.107 -2.205 3.382 1.00 0.61 O ATOM 1026 CB PRO A 73 -15.314 -4.400 1.544 1.00 0.77 C ATOM 1027 CG PRO A 73 -15.870 -5.143 2.747 1.00 0.81 C ATOM 1028 CD PRO A 73 -14.698 -5.555 3.623 1.00 0.75 C ATOM 0 HA PRO A 73 -13.227 -4.197 1.017 1.00 0.68 H new ATOM 0 HB2 PRO A 73 -15.886 -3.493 1.347 1.00 0.77 H new ATOM 0 HB3 PRO A 73 -15.371 -5.014 0.645 1.00 0.77 H new ATOM 0 HG2 PRO A 73 -16.558 -4.507 3.304 1.00 0.81 H new ATOM 0 HG3 PRO A 73 -16.434 -6.019 2.427 1.00 0.81 H new ATOM 0 HD2 PRO A 73 -14.814 -5.182 4.641 1.00 0.75 H new ATOM 0 HD3 PRO A 73 -14.615 -6.640 3.689 1.00 0.75 H new ATOM 1036 N LEU A 74 -13.020 -1.862 1.429 1.00 0.59 N ATOM 1037 CA LEU A 74 -12.760 -0.456 1.691 1.00 0.56 C ATOM 1038 C LEU A 74 -14.062 0.334 1.546 1.00 0.53 C ATOM 1039 O LEU A 74 -14.625 0.415 0.456 1.00 0.59 O ATOM 1040 CB LEU A 74 -11.628 0.055 0.801 1.00 0.64 C ATOM 1041 CG LEU A 74 -10.296 -0.688 0.916 1.00 0.70 C ATOM 1042 CD1 LEU A 74 -9.374 -0.348 -0.257 1.00 0.81 C ATOM 1043 CD2 LEU A 74 -9.629 -0.413 2.265 1.00 0.67 C ATOM 0 H LEU A 74 -12.662 -2.202 0.537 1.00 0.59 H new ATOM 0 HA LEU A 74 -12.415 -0.317 2.715 1.00 0.56 H new ATOM 0 HB2 LEU A 74 -11.959 0.008 -0.236 1.00 0.64 H new ATOM 0 HB3 LEU A 74 -11.456 1.106 1.033 1.00 0.64 H new ATOM 0 HG LEU A 74 -10.498 -1.758 0.868 1.00 0.70 H new ATOM 0 HD11 LEU A 74 -8.434 -0.890 -0.150 1.00 0.81 H new ATOM 0 HD12 LEU A 74 -9.854 -0.635 -1.192 1.00 0.81 H new ATOM 0 HD13 LEU A 74 -9.176 0.724 -0.265 1.00 0.81 H new ATOM 0 HD21 LEU A 74 -8.684 -0.953 2.320 1.00 0.67 H new ATOM 0 HD22 LEU A 74 -9.442 0.656 2.367 1.00 0.67 H new ATOM 0 HD23 LEU A 74 -10.285 -0.746 3.070 1.00 0.67 H new ATOM 1055 N THR A 75 -14.503 0.898 2.662 1.00 0.49 N ATOM 1056 CA THR A 75 -15.728 1.679 2.672 1.00 0.51 C ATOM 1057 C THR A 75 -15.444 3.121 2.246 1.00 0.50 C ATOM 1058 O THR A 75 -14.291 3.546 2.211 1.00 0.54 O ATOM 1059 CB THR A 75 -16.347 1.568 4.067 1.00 0.63 C ATOM 1060 OG1 THR A 75 -15.380 2.167 4.925 1.00 0.70 O ATOM 1061 CG2 THR A 75 -16.434 0.121 4.555 1.00 0.68 C ATOM 0 H THR A 75 -14.034 0.829 3.565 1.00 0.49 H new ATOM 0 HA THR A 75 -16.448 1.296 1.949 1.00 0.51 H new ATOM 0 HB THR A 75 -17.344 2.008 4.058 1.00 0.63 H new ATOM 0 HG1 THR A 75 -14.625 2.491 4.391 1.00 0.70 H new ATOM 0 HG21 THR A 75 -16.880 0.099 5.549 1.00 0.68 H new ATOM 0 HG22 THR A 75 -17.050 -0.458 3.867 1.00 0.68 H new ATOM 0 HG23 THR A 75 -15.434 -0.310 4.597 1.00 0.68 H new ATOM 1069 N ALA A 76 -16.517 3.834 1.935 1.00 0.50 N ATOM 1070 CA ALA A 76 -16.398 5.219 1.512 1.00 0.54 C ATOM 1071 C ALA A 76 -15.526 5.980 2.514 1.00 0.60 C ATOM 1072 O ALA A 76 -15.735 5.882 3.722 1.00 1.12 O ATOM 1073 CB ALA A 76 -17.793 5.831 1.371 1.00 0.61 C ATOM 0 H ALA A 76 -17.472 3.478 1.968 1.00 0.50 H new ATOM 0 HA ALA A 76 -15.914 5.283 0.538 1.00 0.54 H new ATOM 0 HB1 ALA A 76 -17.704 6.870 1.054 1.00 0.61 H new ATOM 0 HB2 ALA A 76 -18.362 5.272 0.628 1.00 0.61 H new ATOM 0 HB3 ALA A 76 -18.308 5.788 2.331 1.00 0.61 H new ATOM 1079 N GLY A 77 -14.570 6.721 1.974 1.00 0.61 N ATOM 1080 CA GLY A 77 -13.667 7.497 2.805 1.00 0.63 C ATOM 1081 C GLY A 77 -12.315 7.692 2.114 1.00 0.63 C ATOM 1082 O GLY A 77 -12.219 7.586 0.892 1.00 0.72 O ATOM 0 H GLY A 77 -14.401 6.800 0.971 1.00 0.61 H new ATOM 0 HA2 GLY A 77 -14.112 8.468 3.022 1.00 0.63 H new ATOM 0 HA3 GLY A 77 -13.522 6.992 3.760 1.00 0.63 H new ATOM 1086 N THR A 78 -11.307 7.973 2.925 1.00 0.62 N ATOM 1087 CA THR A 78 -9.965 8.184 2.406 1.00 0.63 C ATOM 1088 C THR A 78 -8.954 7.335 3.181 1.00 0.57 C ATOM 1089 O THR A 78 -9.035 7.231 4.404 1.00 0.59 O ATOM 1090 CB THR A 78 -9.668 9.683 2.460 1.00 0.73 C ATOM 1091 OG1 THR A 78 -10.486 10.236 1.432 1.00 0.84 O ATOM 1092 CG2 THR A 78 -8.240 10.013 2.018 1.00 0.82 C ATOM 0 H THR A 78 -11.391 8.060 3.938 1.00 0.62 H new ATOM 0 HA THR A 78 -9.886 7.860 1.368 1.00 0.63 H new ATOM 0 HB THR A 78 -9.828 10.049 3.474 1.00 0.73 H new ATOM 0 HG1 THR A 78 -10.357 11.207 1.398 1.00 0.84 H new ATOM 0 HG21 THR A 78 -8.081 11.090 2.075 1.00 0.82 H new ATOM 0 HG22 THR A 78 -7.530 9.506 2.672 1.00 0.82 H new ATOM 0 HG23 THR A 78 -8.090 9.678 0.992 1.00 0.82 H new ATOM 1100 N TYR A 79 -8.028 6.750 2.437 1.00 0.54 N ATOM 1101 CA TYR A 79 -7.003 5.914 3.038 1.00 0.50 C ATOM 1102 C TYR A 79 -5.645 6.149 2.374 1.00 0.51 C ATOM 1103 O TYR A 79 -5.550 6.873 1.384 1.00 0.51 O ATOM 1104 CB TYR A 79 -7.437 4.469 2.787 1.00 0.45 C ATOM 1105 CG TYR A 79 -8.897 4.186 3.147 1.00 0.48 C ATOM 1106 CD1 TYR A 79 -9.913 4.758 2.408 1.00 1.89 C ATOM 1107 CD2 TYR A 79 -9.198 3.360 4.210 1.00 1.53 C ATOM 1108 CE1 TYR A 79 -11.287 4.492 2.746 1.00 1.95 C ATOM 1109 CE2 TYR A 79 -10.573 3.094 4.549 1.00 1.51 C ATOM 1110 CZ TYR A 79 -11.549 3.673 3.799 1.00 0.63 C ATOM 1111 OH TYR A 79 -12.847 3.422 4.118 1.00 0.73 O ATOM 0 H TYR A 79 -7.966 6.838 1.423 1.00 0.54 H new ATOM 0 HA TYR A 79 -6.896 6.140 4.099 1.00 0.50 H new ATOM 0 HB2 TYR A 79 -7.280 4.231 1.735 1.00 0.45 H new ATOM 0 HB3 TYR A 79 -6.796 3.802 3.364 1.00 0.45 H new ATOM 0 HD1 TYR A 79 -9.677 5.405 1.576 1.00 1.89 H new ATOM 0 HD2 TYR A 79 -8.403 2.913 4.788 1.00 1.53 H new ATOM 0 HE1 TYR A 79 -12.091 4.933 2.176 1.00 1.95 H new ATOM 0 HE2 TYR A 79 -10.823 2.450 5.379 1.00 1.51 H new ATOM 0 HH TYR A 79 -13.435 3.916 3.509 1.00 0.73 H new ATOM 1121 N LYS A 80 -4.627 5.522 2.945 1.00 0.57 N ATOM 1122 CA LYS A 80 -3.278 5.654 2.420 1.00 0.61 C ATOM 1123 C LYS A 80 -2.514 4.349 2.658 1.00 0.53 C ATOM 1124 O LYS A 80 -2.255 3.976 3.801 1.00 0.55 O ATOM 1125 CB LYS A 80 -2.590 6.885 3.013 1.00 0.73 C ATOM 1126 CG LYS A 80 -1.094 6.886 2.692 1.00 1.32 C ATOM 1127 CD LYS A 80 -0.260 7.040 3.965 1.00 1.96 C ATOM 1128 CE LYS A 80 0.498 8.369 3.967 1.00 2.04 C ATOM 1129 NZ LYS A 80 -0.357 9.453 4.498 1.00 2.18 N ATOM 0 H LYS A 80 -4.709 4.922 3.765 1.00 0.57 H new ATOM 0 HA LYS A 80 -3.303 5.819 1.343 1.00 0.61 H new ATOM 0 HB2 LYS A 80 -3.051 7.790 2.617 1.00 0.73 H new ATOM 0 HB3 LYS A 80 -2.734 6.901 4.093 1.00 0.73 H new ATOM 0 HG2 LYS A 80 -0.826 5.958 2.188 1.00 1.32 H new ATOM 0 HG3 LYS A 80 -0.867 7.700 2.003 1.00 1.32 H new ATOM 0 HD2 LYS A 80 -0.910 6.987 4.838 1.00 1.96 H new ATOM 0 HD3 LYS A 80 0.447 6.214 4.043 1.00 1.96 H new ATOM 0 HE2 LYS A 80 1.400 8.279 4.573 1.00 2.04 H new ATOM 0 HE3 LYS A 80 0.818 8.613 2.954 1.00 2.04 H new ATOM 0 HZ1 LYS A 80 0.173 10.348 4.492 1.00 2.18 H new ATOM 0 HZ2 LYS A 80 -1.205 9.549 3.904 1.00 2.18 H new ATOM 0 HZ3 LYS A 80 -0.641 9.225 5.472 1.00 2.18 H new ATOM 1143 N VAL A 81 -2.175 3.691 1.559 1.00 0.51 N ATOM 1144 CA VAL A 81 -1.446 2.436 1.633 1.00 0.45 C ATOM 1145 C VAL A 81 0.053 2.727 1.725 1.00 0.45 C ATOM 1146 O VAL A 81 0.661 3.184 0.759 1.00 0.57 O ATOM 1147 CB VAL A 81 -1.810 1.548 0.442 1.00 0.48 C ATOM 1148 CG1 VAL A 81 -0.904 0.317 0.379 1.00 0.60 C ATOM 1149 CG2 VAL A 81 -3.285 1.142 0.491 1.00 0.62 C ATOM 0 H VAL A 81 -2.392 4.003 0.612 1.00 0.51 H new ATOM 0 HA VAL A 81 -1.726 1.884 2.530 1.00 0.45 H new ATOM 0 HB VAL A 81 -1.652 2.127 -0.468 1.00 0.48 H new ATOM 0 HG11 VAL A 81 -1.184 -0.297 -0.477 1.00 0.60 H new ATOM 0 HG12 VAL A 81 0.134 0.634 0.274 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -1.015 -0.264 1.295 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -3.517 0.511 -0.367 1.00 0.62 H new ATOM 0 HG22 VAL A 81 -3.480 0.590 1.411 1.00 0.62 H new ATOM 0 HG23 VAL A 81 -3.909 2.035 0.464 1.00 0.62 H new ATOM 1159 N ASP A 82 0.606 2.449 2.897 1.00 0.41 N ATOM 1160 CA ASP A 82 2.022 2.675 3.129 1.00 0.41 C ATOM 1161 C ASP A 82 2.793 1.380 2.859 1.00 0.40 C ATOM 1162 O ASP A 82 2.519 0.353 3.476 1.00 0.45 O ATOM 1163 CB ASP A 82 2.285 3.088 4.578 1.00 0.47 C ATOM 1164 CG ASP A 82 1.463 4.282 5.069 1.00 0.62 C ATOM 1165 OD1 ASP A 82 0.191 4.080 5.129 1.00 1.74 O ATOM 1166 OD2 ASP A 82 2.011 5.351 5.380 1.00 1.87 O ATOM 0 H ASP A 82 0.098 2.069 3.696 1.00 0.41 H new ATOM 0 HA ASP A 82 2.349 3.473 2.462 1.00 0.41 H new ATOM 0 HB2 ASP A 82 2.082 2.235 5.226 1.00 0.47 H new ATOM 0 HB3 ASP A 82 3.343 3.325 4.686 1.00 0.47 H new ATOM 1171 N TRP A 83 3.739 1.474 1.938 1.00 0.42 N ATOM 1172 CA TRP A 83 4.549 0.322 1.579 1.00 0.47 C ATOM 1173 C TRP A 83 6.009 0.654 1.898 1.00 0.49 C ATOM 1174 O TRP A 83 6.402 1.820 1.881 1.00 0.46 O ATOM 1175 CB TRP A 83 4.332 -0.067 0.115 1.00 0.49 C ATOM 1176 CG TRP A 83 4.422 1.106 -0.862 1.00 0.42 C ATOM 1177 CD1 TRP A 83 3.420 1.727 -1.501 1.00 0.47 C ATOM 1178 CD2 TRP A 83 5.625 1.782 -1.287 1.00 0.38 C ATOM 1179 NE1 TRP A 83 3.888 2.746 -2.304 1.00 0.44 N ATOM 1180 CE2 TRP A 83 5.271 2.781 -2.169 1.00 0.38 C ATOM 1181 CE3 TRP A 83 6.968 1.554 -0.936 1.00 0.45 C ATOM 1182 CZ2 TRP A 83 6.203 3.633 -2.775 1.00 0.40 C ATOM 1183 CZ3 TRP A 83 7.886 2.414 -1.551 1.00 0.50 C ATOM 1184 CH2 TRP A 83 7.547 3.425 -2.442 1.00 0.47 C ATOM 0 H TRP A 83 3.963 2.329 1.429 1.00 0.42 H new ATOM 0 HA TRP A 83 4.254 -0.552 2.159 1.00 0.47 H new ATOM 0 HB2 TRP A 83 5.073 -0.816 -0.164 1.00 0.49 H new ATOM 0 HB3 TRP A 83 3.352 -0.534 0.016 1.00 0.49 H new ATOM 0 HD1 TRP A 83 2.378 1.463 -1.400 1.00 0.47 H new ATOM 0 HE1 TRP A 83 3.323 3.361 -2.889 1.00 0.44 H new ATOM 0 HE3 TRP A 83 7.267 0.778 -0.247 1.00 0.45 H new ATOM 0 HZ2 TRP A 83 5.901 4.409 -3.463 1.00 0.40 H new ATOM 0 HZ3 TRP A 83 8.932 2.282 -1.316 1.00 0.50 H new ATOM 0 HH2 TRP A 83 8.316 4.047 -2.875 1.00 0.47 H new ATOM 1195 N ARG A 84 6.771 -0.391 2.182 1.00 0.61 N ATOM 1196 CA ARG A 84 8.179 -0.226 2.504 1.00 0.67 C ATOM 1197 C ARG A 84 8.999 -1.373 1.910 1.00 0.77 C ATOM 1198 O ARG A 84 8.766 -2.538 2.230 1.00 0.93 O ATOM 1199 CB ARG A 84 8.396 -0.185 4.018 1.00 0.74 C ATOM 1200 CG ARG A 84 8.210 1.234 4.561 1.00 0.80 C ATOM 1201 CD ARG A 84 7.187 1.257 5.697 1.00 1.20 C ATOM 1202 NE ARG A 84 6.610 2.614 5.832 1.00 2.11 N ATOM 1203 CZ ARG A 84 5.864 3.018 6.882 1.00 2.89 C ATOM 1204 NH1 ARG A 84 5.597 2.173 7.899 1.00 3.06 N ATOM 1205 NH2 ARG A 84 5.398 4.254 6.899 1.00 4.16 N ATOM 0 H ARG A 84 6.441 -1.356 2.196 1.00 0.61 H new ATOM 0 HA ARG A 84 8.508 0.720 2.074 1.00 0.67 H new ATOM 0 HB2 ARG A 84 7.695 -0.860 4.508 1.00 0.74 H new ATOM 0 HB3 ARG A 84 9.399 -0.540 4.255 1.00 0.74 H new ATOM 0 HG2 ARG A 84 9.165 1.618 4.919 1.00 0.80 H new ATOM 0 HG3 ARG A 84 7.882 1.894 3.758 1.00 0.80 H new ATOM 0 HD2 ARG A 84 6.395 0.534 5.499 1.00 1.20 H new ATOM 0 HD3 ARG A 84 7.663 0.961 6.632 1.00 1.20 H new ATOM 0 HE ARG A 84 6.787 3.285 5.085 1.00 2.11 H new ATOM 0 HH11 ARG A 84 5.960 1.220 7.879 1.00 3.06 H new ATOM 0 HH12 ARG A 84 5.032 2.487 8.688 1.00 3.06 H new ATOM 0 HH21 ARG A 84 5.603 4.887 6.126 1.00 4.16 H new ATOM 0 HH22 ARG A 84 4.833 4.575 7.685 1.00 4.16 H new ATOM 1324 N ILE A 93 13.182 1.794 1.493 1.00 0.65 N ATOM 1325 CA ILE A 93 12.389 2.480 0.487 1.00 0.74 C ATOM 1326 C ILE A 93 10.954 2.635 0.995 1.00 0.65 C ATOM 1327 O ILE A 93 10.120 1.754 0.790 1.00 0.93 O ATOM 1328 CB ILE A 93 12.491 1.759 -0.859 1.00 0.99 C ATOM 1329 CG1 ILE A 93 13.951 1.481 -1.223 1.00 1.60 C ATOM 1330 CG2 ILE A 93 11.765 2.541 -1.955 1.00 1.45 C ATOM 1331 CD1 ILE A 93 14.093 0.130 -1.925 1.00 3.08 C ATOM 0 HA ILE A 93 12.777 3.484 0.314 1.00 0.74 H new ATOM 0 HB ILE A 93 11.993 0.794 -0.769 1.00 0.99 H new ATOM 0 HG12 ILE A 93 14.325 2.273 -1.872 1.00 1.60 H new ATOM 0 HG13 ILE A 93 14.563 1.492 -0.321 1.00 1.60 H new ATOM 0 HG21 ILE A 93 11.852 2.007 -2.901 1.00 1.45 H new ATOM 0 HG22 ILE A 93 10.712 2.644 -1.692 1.00 1.45 H new ATOM 0 HG23 ILE A 93 12.212 3.530 -2.053 1.00 1.45 H new ATOM 0 HD11 ILE A 93 15.140 -0.043 -2.173 1.00 3.08 H new ATOM 0 HD12 ILE A 93 13.741 -0.662 -1.264 1.00 3.08 H new ATOM 0 HD13 ILE A 93 13.499 0.131 -2.839 1.00 3.08 H new ATOM 1343 N THR A 94 10.710 3.762 1.646 1.00 0.52 N ATOM 1344 CA THR A 94 9.390 4.044 2.185 1.00 0.54 C ATOM 1345 C THR A 94 8.530 4.761 1.142 1.00 0.49 C ATOM 1346 O THR A 94 9.048 5.515 0.319 1.00 0.60 O ATOM 1347 CB THR A 94 9.567 4.842 3.479 1.00 0.73 C ATOM 1348 OG1 THR A 94 10.142 6.073 3.051 1.00 0.81 O ATOM 1349 CG2 THR A 94 10.627 4.235 4.401 1.00 0.93 C ATOM 0 H THR A 94 11.404 4.491 1.813 1.00 0.52 H new ATOM 0 HA THR A 94 8.856 3.124 2.424 1.00 0.54 H new ATOM 0 HB THR A 94 8.615 4.894 4.007 1.00 0.73 H new ATOM 0 HG1 THR A 94 10.289 6.653 3.827 1.00 0.81 H new ATOM 0 HG21 THR A 94 10.713 4.839 5.304 1.00 0.93 H new ATOM 0 HG22 THR A 94 10.337 3.219 4.670 1.00 0.93 H new ATOM 0 HG23 THR A 94 11.588 4.213 3.886 1.00 0.93 H new ATOM 1357 N GLY A 95 7.233 4.500 1.210 1.00 0.46 N ATOM 1358 CA GLY A 95 6.297 5.112 0.282 1.00 0.43 C ATOM 1359 C GLY A 95 4.851 4.847 0.706 1.00 0.40 C ATOM 1360 O GLY A 95 4.582 3.906 1.451 1.00 0.46 O ATOM 0 H GLY A 95 6.808 3.873 1.893 1.00 0.46 H new ATOM 0 HA2 GLY A 95 6.475 6.186 0.236 1.00 0.43 H new ATOM 0 HA3 GLY A 95 6.464 4.718 -0.721 1.00 0.43 H new ATOM 1364 N SER A 96 3.959 5.693 0.215 1.00 0.41 N ATOM 1365 CA SER A 96 2.547 5.563 0.534 1.00 0.45 C ATOM 1366 C SER A 96 1.699 5.949 -0.679 1.00 0.44 C ATOM 1367 O SER A 96 2.178 6.629 -1.586 1.00 0.55 O ATOM 1368 CB SER A 96 2.174 6.426 1.740 1.00 0.58 C ATOM 1369 OG SER A 96 3.209 6.453 2.719 1.00 0.91 O ATOM 0 H SER A 96 4.186 6.473 -0.402 1.00 0.41 H new ATOM 0 HA SER A 96 2.348 4.523 0.791 1.00 0.45 H new ATOM 0 HB2 SER A 96 1.964 7.442 1.407 1.00 0.58 H new ATOM 0 HB3 SER A 96 1.259 6.042 2.191 1.00 0.58 H new ATOM 0 HG SER A 96 2.859 6.128 3.574 1.00 0.91 H new ATOM 1375 N VAL A 97 0.454 5.498 -0.658 1.00 0.37 N ATOM 1376 CA VAL A 97 -0.467 5.788 -1.744 1.00 0.34 C ATOM 1377 C VAL A 97 -1.840 6.130 -1.165 1.00 0.35 C ATOM 1378 O VAL A 97 -2.531 5.260 -0.637 1.00 0.33 O ATOM 1379 CB VAL A 97 -0.506 4.613 -2.723 1.00 0.33 C ATOM 1380 CG1 VAL A 97 -1.199 5.010 -4.028 1.00 0.45 C ATOM 1381 CG2 VAL A 97 0.900 4.074 -2.990 1.00 0.42 C ATOM 0 H VAL A 97 0.061 4.933 0.095 1.00 0.37 H new ATOM 0 HA VAL A 97 -0.129 6.655 -2.311 1.00 0.34 H new ATOM 0 HB VAL A 97 -1.088 3.814 -2.264 1.00 0.33 H new ATOM 0 HG11 VAL A 97 -1.213 4.157 -4.706 1.00 0.45 H new ATOM 0 HG12 VAL A 97 -2.222 5.323 -3.816 1.00 0.45 H new ATOM 0 HG13 VAL A 97 -0.656 5.834 -4.492 1.00 0.45 H new ATOM 0 HG21 VAL A 97 0.843 3.240 -3.689 1.00 0.42 H new ATOM 0 HG22 VAL A 97 1.517 4.864 -3.418 1.00 0.42 H new ATOM 0 HG23 VAL A 97 1.343 3.734 -2.054 1.00 0.42 H new ATOM 1391 N THR A 98 -2.198 7.401 -1.284 1.00 0.41 N ATOM 1392 CA THR A 98 -3.477 7.869 -0.780 1.00 0.43 C ATOM 1393 C THR A 98 -4.541 7.801 -1.877 1.00 0.43 C ATOM 1394 O THR A 98 -4.301 8.223 -3.007 1.00 0.42 O ATOM 1395 CB THR A 98 -3.276 9.278 -0.217 1.00 0.48 C ATOM 1396 OG1 THR A 98 -4.470 9.531 0.519 1.00 0.54 O ATOM 1397 CG2 THR A 98 -3.276 10.351 -1.307 1.00 0.51 C ATOM 0 H THR A 98 -1.624 8.121 -1.723 1.00 0.41 H new ATOM 0 HA THR A 98 -3.842 7.230 0.024 1.00 0.43 H new ATOM 0 HB THR A 98 -2.335 9.318 0.331 1.00 0.48 H new ATOM 0 HG1 THR A 98 -4.804 8.692 0.900 1.00 0.54 H new ATOM 0 HG21 THR A 98 -3.130 11.331 -0.853 1.00 0.51 H new ATOM 0 HG22 THR A 98 -2.468 10.154 -2.012 1.00 0.51 H new ATOM 0 HG23 THR A 98 -4.230 10.334 -1.834 1.00 0.51 H new ATOM 1405 N PHE A 99 -5.694 7.264 -1.505 1.00 0.50 N ATOM 1406 CA PHE A 99 -6.796 7.134 -2.445 1.00 0.52 C ATOM 1407 C PHE A 99 -8.134 7.427 -1.763 1.00 0.54 C ATOM 1408 O PHE A 99 -8.251 7.316 -0.544 1.00 0.51 O ATOM 1409 CB PHE A 99 -6.794 5.686 -2.938 1.00 0.46 C ATOM 1410 CG PHE A 99 -7.212 4.666 -1.877 1.00 0.39 C ATOM 1411 CD1 PHE A 99 -8.501 4.622 -1.447 1.00 1.65 C ATOM 1412 CD2 PHE A 99 -6.293 3.803 -1.365 1.00 1.76 C ATOM 1413 CE1 PHE A 99 -8.889 3.676 -0.462 1.00 1.66 C ATOM 1414 CE2 PHE A 99 -6.681 2.856 -0.380 1.00 1.74 C ATOM 1415 CZ PHE A 99 -7.971 2.813 0.051 1.00 0.33 C ATOM 0 H PHE A 99 -5.889 6.914 -0.567 1.00 0.50 H new ATOM 0 HA PHE A 99 -6.673 7.842 -3.264 1.00 0.52 H new ATOM 0 HB2 PHE A 99 -7.467 5.603 -3.792 1.00 0.46 H new ATOM 0 HB3 PHE A 99 -5.795 5.436 -3.294 1.00 0.46 H new ATOM 0 HD1 PHE A 99 -9.230 5.307 -1.855 1.00 1.65 H new ATOM 0 HD2 PHE A 99 -5.269 3.838 -1.707 1.00 1.76 H new ATOM 0 HE1 PHE A 99 -9.913 3.642 -0.120 1.00 1.66 H new ATOM 0 HE2 PHE A 99 -5.952 2.170 0.027 1.00 1.74 H new ATOM 0 HZ PHE A 99 -8.266 2.094 0.801 1.00 0.33 H new ATOM 1425 N LYS A 100 -9.110 7.794 -2.581 1.00 0.64 N ATOM 1426 CA LYS A 100 -10.435 8.103 -2.072 1.00 0.67 C ATOM 1427 C LYS A 100 -11.394 6.970 -2.439 1.00 0.61 C ATOM 1428 O LYS A 100 -11.128 6.199 -3.360 1.00 0.61 O ATOM 1429 CB LYS A 100 -10.891 9.478 -2.564 1.00 0.84 C ATOM 1430 CG LYS A 100 -10.183 10.597 -1.799 1.00 0.81 C ATOM 1431 CD LYS A 100 -8.754 10.792 -2.310 1.00 2.71 C ATOM 1432 CE LYS A 100 -8.069 11.957 -1.592 1.00 3.09 C ATOM 1433 NZ LYS A 100 -6.911 12.441 -2.379 1.00 5.00 N ATOM 0 H LYS A 100 -9.009 7.884 -3.592 1.00 0.64 H new ATOM 0 HA LYS A 100 -10.419 8.169 -0.984 1.00 0.67 H new ATOM 0 HB2 LYS A 100 -10.684 9.574 -3.630 1.00 0.84 H new ATOM 0 HB3 LYS A 100 -11.970 9.573 -2.439 1.00 0.84 H new ATOM 0 HG2 LYS A 100 -10.742 11.527 -1.908 1.00 0.81 H new ATOM 0 HG3 LYS A 100 -10.163 10.359 -0.735 1.00 0.81 H new ATOM 0 HD2 LYS A 100 -8.181 9.878 -2.156 1.00 2.71 H new ATOM 0 HD3 LYS A 100 -8.770 10.981 -3.383 1.00 2.71 H new ATOM 0 HE2 LYS A 100 -8.780 12.769 -1.443 1.00 3.09 H new ATOM 0 HE3 LYS A 100 -7.737 11.639 -0.604 1.00 3.09 H new ATOM 0 HZ1 LYS A 100 -6.457 13.231 -1.878 1.00 5.00 H new ATOM 0 HZ2 LYS A 100 -6.226 11.668 -2.499 1.00 5.00 H new ATOM 0 HZ3 LYS A 100 -7.236 12.764 -3.313 1.00 5.00 H new ATOM 1447 N VAL A 101 -12.492 6.903 -1.698 1.00 0.58 N ATOM 1448 CA VAL A 101 -13.492 5.875 -1.935 1.00 0.55 C ATOM 1449 C VAL A 101 -14.888 6.483 -1.777 1.00 0.59 C ATOM 1450 O VAL A 101 -15.266 6.904 -0.685 1.00 0.60 O ATOM 1451 CB VAL A 101 -13.250 4.686 -1.003 1.00 0.48 C ATOM 1452 CG1 VAL A 101 -14.439 3.722 -1.025 1.00 0.46 C ATOM 1453 CG2 VAL A 101 -11.952 3.961 -1.366 1.00 0.58 C ATOM 0 H VAL A 101 -12.710 7.543 -0.934 1.00 0.58 H new ATOM 0 HA VAL A 101 -13.415 5.494 -2.953 1.00 0.55 H new ATOM 0 HB VAL A 101 -13.148 5.071 0.012 1.00 0.48 H new ATOM 0 HG11 VAL A 101 -14.242 2.886 -0.354 1.00 0.46 H new ATOM 0 HG12 VAL A 101 -15.338 4.245 -0.698 1.00 0.46 H new ATOM 0 HG13 VAL A 101 -14.585 3.348 -2.038 1.00 0.46 H new ATOM 0 HG21 VAL A 101 -11.803 3.120 -0.689 1.00 0.58 H new ATOM 0 HG22 VAL A 101 -12.014 3.595 -2.391 1.00 0.58 H new ATOM 0 HG23 VAL A 101 -11.113 4.651 -1.277 1.00 0.58 H new ATOM 1463 N LYS A 102 -15.615 6.509 -2.885 1.00 0.63 N ATOM 1464 CA LYS A 102 -16.960 7.058 -2.884 1.00 0.69 C ATOM 1465 C LYS A 102 -17.970 5.924 -3.071 1.00 0.78 C ATOM 1466 O LYS A 102 -19.175 6.134 -2.945 1.00 1.19 O ATOM 1467 CB LYS A 102 -17.085 8.171 -3.926 1.00 0.73 C ATOM 1468 CG LYS A 102 -16.068 9.284 -3.665 1.00 0.68 C ATOM 1469 CD LYS A 102 -16.671 10.658 -3.960 1.00 1.45 C ATOM 1470 CE LYS A 102 -16.283 11.671 -2.881 1.00 1.46 C ATOM 1471 NZ LYS A 102 -17.415 12.580 -2.592 1.00 2.24 N ATOM 1472 OXT LYS A 102 -17.604 4.751 -3.036 1.00 1.21 O ATOM 0 H LYS A 102 -15.298 6.159 -3.789 1.00 0.63 H new ATOM 0 HA LYS A 102 -17.180 7.525 -1.924 1.00 0.69 H new ATOM 0 HB2 LYS A 102 -16.931 7.759 -4.923 1.00 0.73 H new ATOM 0 HB3 LYS A 102 -18.094 8.583 -3.904 1.00 0.73 H new ATOM 0 HG2 LYS A 102 -15.737 9.243 -2.627 1.00 0.68 H new ATOM 0 HG3 LYS A 102 -15.186 9.129 -4.287 1.00 0.68 H new ATOM 0 HD2 LYS A 102 -16.327 11.008 -4.933 1.00 1.45 H new ATOM 0 HD3 LYS A 102 -17.757 10.578 -4.015 1.00 1.45 H new ATOM 0 HE2 LYS A 102 -15.988 11.147 -1.972 1.00 1.46 H new ATOM 0 HE3 LYS A 102 -15.420 12.249 -3.210 1.00 1.46 H new ATOM 0 HZ1 LYS A 102 -17.135 13.261 -1.858 1.00 2.24 H new ATOM 0 HZ2 LYS A 102 -17.678 13.093 -3.458 1.00 2.24 H new ATOM 0 HZ3 LYS A 102 -18.229 12.026 -2.257 1.00 2.24 H new