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 78 THR OG1 : rot 19:sc= -3.91! USER MOD Set 1.2: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 75 THR OG1 : rot 180:sc= 0.0188 USER MOD Set 2.2: A 79 TYR OH : rot 5:sc= 1.32 USER MOD Set 3.1: A 24 HIS : no HD1:sc= 0.67 K(o=0.8,f=-1.8!) USER MOD Set 3.2: A 65 THR OG1 : rot -80:sc= 0.129 USER MOD Single : A 6 SER OG : rot 180:sc= -0.705 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.143 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -140:sc= 0 (180deg=-0.00283) USER MOD Single : A 41 THR OG1 : rot -62:sc= 0.468 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 173:sc= -0.555 (180deg=-0.716) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -151:sc= -2.89! (180deg=-5.25!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00544 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 56 N LEU A 4 9.017 3.567 -5.169 1.00 1.01 N ATOM 57 CA LEU A 4 9.197 2.328 -5.908 1.00 0.70 C ATOM 58 C LEU A 4 9.161 2.626 -7.408 1.00 0.67 C ATOM 59 O LEU A 4 8.875 3.751 -7.814 1.00 0.70 O ATOM 60 CB LEU A 4 8.171 1.285 -5.462 1.00 0.78 C ATOM 61 CG LEU A 4 6.720 1.554 -5.870 1.00 0.60 C ATOM 62 CD1 LEU A 4 6.424 3.054 -5.883 1.00 0.89 C ATOM 63 CD2 LEU A 4 6.396 0.893 -7.211 1.00 0.76 C ATOM 0 HA LEU A 4 10.173 1.893 -5.693 1.00 0.70 H new ATOM 0 HB2 LEU A 4 8.468 0.317 -5.866 1.00 0.78 H new ATOM 0 HB3 LEU A 4 8.213 1.204 -4.376 1.00 0.78 H new ATOM 0 HG LEU A 4 6.066 1.104 -5.124 1.00 0.60 H new ATOM 0 HD11 LEU A 4 5.387 3.218 -6.176 1.00 0.89 H new ATOM 0 HD12 LEU A 4 6.589 3.466 -4.888 1.00 0.89 H new ATOM 0 HD13 LEU A 4 7.085 3.549 -6.595 1.00 0.89 H new ATOM 0 HD21 LEU A 4 5.359 1.100 -7.477 1.00 0.76 H new ATOM 0 HD22 LEU A 4 7.055 1.292 -7.982 1.00 0.76 H new ATOM 0 HD23 LEU A 4 6.542 -0.184 -7.130 1.00 0.76 H new ATOM 75 N VAL A 5 9.454 1.597 -8.190 1.00 0.64 N ATOM 76 CA VAL A 5 9.458 1.734 -9.637 1.00 0.65 C ATOM 77 C VAL A 5 8.071 2.174 -10.107 1.00 0.61 C ATOM 78 O VAL A 5 7.855 3.350 -10.398 1.00 0.67 O ATOM 79 CB VAL A 5 9.923 0.428 -10.284 1.00 0.67 C ATOM 80 CG1 VAL A 5 9.890 0.531 -11.810 1.00 0.79 C ATOM 81 CG2 VAL A 5 11.317 0.037 -9.791 1.00 0.78 C ATOM 0 H VAL A 5 9.690 0.665 -7.849 1.00 0.64 H new ATOM 0 HA VAL A 5 10.165 2.504 -9.946 1.00 0.65 H new ATOM 0 HB VAL A 5 9.230 -0.359 -9.986 1.00 0.67 H new ATOM 0 HG11 VAL A 5 10.225 -0.410 -12.246 1.00 0.79 H new ATOM 0 HG12 VAL A 5 8.872 0.741 -12.139 1.00 0.79 H new ATOM 0 HG13 VAL A 5 10.549 1.336 -12.135 1.00 0.79 H new ATOM 0 HG21 VAL A 5 11.623 -0.895 -10.267 1.00 0.78 H new ATOM 0 HG22 VAL A 5 12.027 0.824 -10.045 1.00 0.78 H new ATOM 0 HG23 VAL A 5 11.296 -0.098 -8.710 1.00 0.78 H new ATOM 91 N SER A 6 7.167 1.208 -10.168 1.00 0.54 N ATOM 92 CA SER A 6 5.806 1.481 -10.598 1.00 0.50 C ATOM 93 C SER A 6 4.822 0.638 -9.786 1.00 0.47 C ATOM 94 O SER A 6 5.143 -0.476 -9.374 1.00 0.47 O ATOM 95 CB SER A 6 5.636 1.202 -12.093 1.00 0.52 C ATOM 96 OG SER A 6 6.822 1.490 -12.829 1.00 0.61 O ATOM 0 H SER A 6 7.350 0.234 -9.927 1.00 0.54 H new ATOM 0 HA SER A 6 5.597 2.537 -10.426 1.00 0.50 H new ATOM 0 HB2 SER A 6 5.365 0.156 -12.238 1.00 0.52 H new ATOM 0 HB3 SER A 6 4.813 1.802 -12.482 1.00 0.52 H new ATOM 0 HG SER A 6 6.673 1.297 -13.778 1.00 0.61 H new ATOM 102 N SER A 7 3.641 1.203 -9.577 1.00 0.46 N ATOM 103 CA SER A 7 2.607 0.517 -8.822 1.00 0.44 C ATOM 104 C SER A 7 1.231 1.077 -9.190 1.00 0.45 C ATOM 105 O SER A 7 1.132 2.154 -9.776 1.00 0.50 O ATOM 106 CB SER A 7 2.847 0.647 -7.316 1.00 0.41 C ATOM 107 OG SER A 7 2.999 2.007 -6.915 1.00 0.42 O ATOM 0 H SER A 7 3.378 2.128 -9.918 1.00 0.46 H new ATOM 0 HA SER A 7 2.642 -0.542 -9.079 1.00 0.44 H new ATOM 0 HB2 SER A 7 2.012 0.201 -6.776 1.00 0.41 H new ATOM 0 HB3 SER A 7 3.740 0.086 -7.041 1.00 0.41 H new ATOM 0 HG SER A 7 3.149 2.048 -5.947 1.00 0.42 H new ATOM 113 N THR A 8 0.204 0.321 -8.831 1.00 0.44 N ATOM 114 CA THR A 8 -1.161 0.729 -9.116 1.00 0.46 C ATOM 115 C THR A 8 -2.059 0.470 -7.903 1.00 0.43 C ATOM 116 O THR A 8 -3.027 -0.284 -7.993 1.00 0.44 O ATOM 117 CB THR A 8 -1.619 -0.004 -10.378 1.00 0.53 C ATOM 118 OG1 THR A 8 -0.576 0.239 -11.318 1.00 0.58 O ATOM 119 CG2 THR A 8 -2.851 0.642 -11.015 1.00 0.82 C ATOM 0 H THR A 8 0.290 -0.572 -8.345 1.00 0.44 H new ATOM 0 HA THR A 8 -1.223 1.801 -9.304 1.00 0.46 H new ATOM 0 HB THR A 8 -1.838 -1.044 -10.135 1.00 0.53 H new ATOM 0 HG1 THR A 8 -0.791 -0.202 -12.166 1.00 0.58 H new ATOM 0 HG21 THR A 8 -3.135 0.083 -11.907 1.00 0.82 H new ATOM 0 HG22 THR A 8 -3.676 0.632 -10.303 1.00 0.82 H new ATOM 0 HG23 THR A 8 -2.621 1.671 -11.290 1.00 0.82 H new ATOM 127 N PRO A 9 -1.696 1.126 -6.769 1.00 0.41 N ATOM 128 CA PRO A 9 -2.458 0.975 -5.541 1.00 0.40 C ATOM 129 C PRO A 9 -3.773 1.753 -5.612 1.00 0.41 C ATOM 130 O PRO A 9 -4.831 1.171 -5.845 1.00 0.53 O ATOM 131 CB PRO A 9 -1.534 1.470 -4.441 1.00 0.40 C ATOM 132 CG PRO A 9 -0.473 2.310 -5.135 1.00 0.41 C ATOM 133 CD PRO A 9 -0.556 2.027 -6.626 1.00 0.42 C ATOM 0 HA PRO A 9 -2.758 -0.057 -5.357 1.00 0.40 H new ATOM 0 HB2 PRO A 9 -2.082 2.061 -3.707 1.00 0.40 H new ATOM 0 HB3 PRO A 9 -1.082 0.635 -3.905 1.00 0.40 H new ATOM 0 HG2 PRO A 9 -0.636 3.370 -4.938 1.00 0.41 H new ATOM 0 HG3 PRO A 9 0.518 2.064 -4.754 1.00 0.41 H new ATOM 0 HD2 PRO A 9 -0.703 2.945 -7.196 1.00 0.42 H new ATOM 0 HD3 PRO A 9 0.361 1.567 -6.993 1.00 0.42 H new ATOM 141 N ALA A 10 -3.665 3.058 -5.406 1.00 0.50 N ATOM 142 CA ALA A 10 -4.832 3.921 -5.444 1.00 0.53 C ATOM 143 C ALA A 10 -4.389 5.377 -5.285 1.00 0.58 C ATOM 144 O ALA A 10 -4.998 6.136 -4.532 1.00 0.59 O ATOM 145 CB ALA A 10 -5.821 3.491 -4.359 1.00 0.52 C ATOM 0 H ALA A 10 -2.786 3.538 -5.212 1.00 0.50 H new ATOM 0 HA ALA A 10 -5.343 3.834 -6.403 1.00 0.53 H new ATOM 0 HB1 ALA A 10 -6.697 4.139 -4.388 1.00 0.52 H new ATOM 0 HB2 ALA A 10 -6.127 2.459 -4.534 1.00 0.52 H new ATOM 0 HB3 ALA A 10 -5.345 3.568 -3.382 1.00 0.52 H new ATOM 151 N GLU A 11 -3.333 5.724 -6.006 1.00 0.63 N ATOM 152 CA GLU A 11 -2.802 7.074 -5.954 1.00 0.72 C ATOM 153 C GLU A 11 -3.944 8.092 -5.911 1.00 0.80 C ATOM 154 O GLU A 11 -4.637 8.295 -6.906 1.00 0.88 O ATOM 155 CB GLU A 11 -1.872 7.344 -7.139 1.00 0.82 C ATOM 156 CG GLU A 11 -0.408 7.364 -6.693 1.00 0.79 C ATOM 157 CD GLU A 11 0.507 6.825 -7.794 1.00 1.09 C ATOM 158 OE1 GLU A 11 0.325 7.162 -8.974 1.00 1.85 O ATOM 159 OE2 GLU A 11 1.437 6.027 -7.389 1.00 1.87 O ATOM 0 H GLU A 11 -2.831 5.092 -6.630 1.00 0.63 H new ATOM 0 HA GLU A 11 -2.214 7.177 -5.042 1.00 0.72 H new ATOM 0 HB2 GLU A 11 -2.014 6.576 -7.900 1.00 0.82 H new ATOM 0 HB3 GLU A 11 -2.129 8.299 -7.598 1.00 0.82 H new ATOM 0 HG2 GLU A 11 -0.115 8.383 -6.438 1.00 0.79 H new ATOM 0 HG3 GLU A 11 -0.291 6.764 -5.791 1.00 0.79 H new ATOM 166 N GLY A 12 -4.103 8.705 -4.747 1.00 0.79 N ATOM 167 CA GLY A 12 -5.149 9.696 -4.561 1.00 0.87 C ATOM 168 C GLY A 12 -6.428 9.289 -5.296 1.00 0.91 C ATOM 169 O GLY A 12 -7.131 10.138 -5.842 1.00 1.12 O ATOM 0 H GLY A 12 -3.525 8.535 -3.924 1.00 0.79 H new ATOM 0 HA2 GLY A 12 -5.358 9.814 -3.498 1.00 0.87 H new ATOM 0 HA3 GLY A 12 -4.807 10.664 -4.928 1.00 0.87 H new ATOM 173 N SER A 13 -6.690 7.991 -5.284 1.00 0.77 N ATOM 174 CA SER A 13 -7.872 7.461 -5.943 1.00 0.81 C ATOM 175 C SER A 13 -9.126 7.843 -5.154 1.00 0.77 C ATOM 176 O SER A 13 -9.467 7.189 -4.169 1.00 0.73 O ATOM 177 CB SER A 13 -7.783 5.941 -6.096 1.00 0.93 C ATOM 178 OG SER A 13 -7.993 5.526 -7.442 1.00 1.33 O ATOM 0 H SER A 13 -6.105 7.291 -4.829 1.00 0.77 H new ATOM 0 HA SER A 13 -7.932 7.896 -6.941 1.00 0.81 H new ATOM 0 HB2 SER A 13 -6.804 5.600 -5.760 1.00 0.93 H new ATOM 0 HB3 SER A 13 -8.524 5.468 -5.451 1.00 0.93 H new ATOM 0 HG SER A 13 -7.926 4.550 -7.498 1.00 1.33 H new ATOM 184 N GLU A 14 -9.779 8.899 -5.616 1.00 0.85 N ATOM 185 CA GLU A 14 -10.988 9.375 -4.966 1.00 0.91 C ATOM 186 C GLU A 14 -12.221 8.975 -5.779 1.00 1.00 C ATOM 187 O GLU A 14 -12.341 9.336 -6.949 1.00 1.12 O ATOM 188 CB GLU A 14 -10.937 10.889 -4.756 1.00 1.06 C ATOM 189 CG GLU A 14 -9.611 11.311 -4.121 1.00 1.10 C ATOM 190 CD GLU A 14 -9.322 12.790 -4.384 1.00 1.33 C ATOM 191 OE1 GLU A 14 -9.675 13.310 -5.454 1.00 1.21 O ATOM 192 OE2 GLU A 14 -8.709 13.404 -3.430 1.00 2.48 O ATOM 0 H GLU A 14 -9.493 9.439 -6.433 1.00 0.85 H new ATOM 0 HA GLU A 14 -11.058 8.907 -3.984 1.00 0.91 H new ATOM 0 HB2 GLU A 14 -11.064 11.397 -5.712 1.00 1.06 H new ATOM 0 HB3 GLU A 14 -11.765 11.199 -4.118 1.00 1.06 H new ATOM 0 HG2 GLU A 14 -9.644 11.129 -3.047 1.00 1.10 H new ATOM 0 HG3 GLU A 14 -8.801 10.702 -4.523 1.00 1.10 H new ATOM 199 N GLY A 15 -13.106 8.234 -5.128 1.00 0.97 N ATOM 200 CA GLY A 15 -14.324 7.782 -5.775 1.00 1.12 C ATOM 201 C GLY A 15 -14.943 6.604 -5.018 1.00 0.94 C ATOM 202 O GLY A 15 -16.101 6.664 -4.609 1.00 0.98 O ATOM 0 H GLY A 15 -13.003 7.936 -4.158 1.00 0.97 H new ATOM 0 HA2 GLY A 15 -15.039 8.603 -5.825 1.00 1.12 H new ATOM 0 HA3 GLY A 15 -14.106 7.486 -6.801 1.00 1.12 H new ATOM 206 N ALA A 16 -14.142 5.560 -4.857 1.00 0.95 N ATOM 207 CA ALA A 16 -14.597 4.371 -4.156 1.00 0.96 C ATOM 208 C ALA A 16 -13.395 3.475 -3.849 1.00 1.22 C ATOM 209 O ALA A 16 -12.280 3.752 -4.292 1.00 1.81 O ATOM 210 CB ALA A 16 -15.656 3.656 -4.997 1.00 1.12 C ATOM 0 H ALA A 16 -13.182 5.513 -5.199 1.00 0.95 H new ATOM 0 HA ALA A 16 -15.061 4.639 -3.207 1.00 0.96 H new ATOM 0 HB1 ALA A 16 -15.997 2.764 -4.471 1.00 1.12 H new ATOM 0 HB2 ALA A 16 -16.501 4.324 -5.164 1.00 1.12 H new ATOM 0 HB3 ALA A 16 -15.226 3.369 -5.957 1.00 1.12 H new ATOM 216 N ALA A 17 -13.661 2.420 -3.093 1.00 0.96 N ATOM 217 CA ALA A 17 -12.615 1.482 -2.721 1.00 1.17 C ATOM 218 C ALA A 17 -12.225 0.649 -3.944 1.00 1.00 C ATOM 219 O ALA A 17 -13.089 0.106 -4.630 1.00 0.94 O ATOM 220 CB ALA A 17 -13.096 0.617 -1.555 1.00 1.43 C ATOM 0 H ALA A 17 -14.586 2.194 -2.728 1.00 0.96 H new ATOM 0 HA ALA A 17 -11.724 2.013 -2.386 1.00 1.17 H new ATOM 0 HB1 ALA A 17 -12.312 -0.086 -1.276 1.00 1.43 H new ATOM 0 HB2 ALA A 17 -13.332 1.254 -0.703 1.00 1.43 H new ATOM 0 HB3 ALA A 17 -13.988 0.066 -1.854 1.00 1.43 H new ATOM 226 N PRO A 18 -10.889 0.574 -4.185 1.00 1.00 N ATOM 227 CA PRO A 18 -10.374 -0.183 -5.313 1.00 0.93 C ATOM 228 C PRO A 18 -10.445 -1.687 -5.042 1.00 0.82 C ATOM 229 O PRO A 18 -10.559 -2.110 -3.891 1.00 1.17 O ATOM 230 CB PRO A 18 -8.952 0.319 -5.507 1.00 1.06 C ATOM 231 CG PRO A 18 -8.567 0.996 -4.202 1.00 1.15 C ATOM 232 CD PRO A 18 -9.837 1.206 -3.393 1.00 1.14 C ATOM 0 HA PRO A 18 -10.961 -0.038 -6.220 1.00 0.93 H new ATOM 0 HB2 PRO A 18 -8.275 -0.504 -5.734 1.00 1.06 H new ATOM 0 HB3 PRO A 18 -8.895 1.018 -6.341 1.00 1.06 H new ATOM 0 HG2 PRO A 18 -7.859 0.381 -3.647 1.00 1.15 H new ATOM 0 HG3 PRO A 18 -8.077 1.950 -4.397 1.00 1.15 H new ATOM 0 HD2 PRO A 18 -9.757 0.751 -2.406 1.00 1.14 H new ATOM 0 HD3 PRO A 18 -10.039 2.266 -3.240 1.00 1.14 H new ATOM 240 N ALA A 19 -10.374 -2.455 -6.119 1.00 0.70 N ATOM 241 CA ALA A 19 -10.429 -3.903 -6.012 1.00 0.72 C ATOM 242 C ALA A 19 -9.226 -4.396 -5.205 1.00 0.63 C ATOM 243 O ALA A 19 -9.391 -5.021 -4.159 1.00 0.63 O ATOM 244 CB ALA A 19 -10.483 -4.517 -7.413 1.00 0.90 C ATOM 0 H ALA A 19 -10.279 -2.101 -7.071 1.00 0.70 H new ATOM 0 HA ALA A 19 -11.330 -4.215 -5.485 1.00 0.72 H new ATOM 0 HB1 ALA A 19 -10.524 -5.603 -7.333 1.00 0.90 H new ATOM 0 HB2 ALA A 19 -11.371 -4.158 -7.934 1.00 0.90 H new ATOM 0 HB3 ALA A 19 -9.593 -4.228 -7.971 1.00 0.90 H new ATOM 250 N LYS A 20 -8.044 -4.096 -5.722 1.00 0.60 N ATOM 251 CA LYS A 20 -6.814 -4.501 -5.062 1.00 0.54 C ATOM 252 C LYS A 20 -5.684 -3.558 -5.478 1.00 0.50 C ATOM 253 O LYS A 20 -5.698 -3.013 -6.581 1.00 0.54 O ATOM 254 CB LYS A 20 -6.518 -5.976 -5.341 1.00 0.60 C ATOM 255 CG LYS A 20 -6.323 -6.222 -6.839 1.00 0.68 C ATOM 256 CD LYS A 20 -5.252 -7.286 -7.085 1.00 1.70 C ATOM 257 CE LYS A 20 -5.886 -8.643 -7.393 1.00 2.06 C ATOM 258 NZ LYS A 20 -4.921 -9.736 -7.140 1.00 3.60 N ATOM 0 H LYS A 20 -7.911 -3.577 -6.590 1.00 0.60 H new ATOM 0 HA LYS A 20 -6.916 -4.419 -3.980 1.00 0.54 H new ATOM 0 HB2 LYS A 20 -5.622 -6.280 -4.799 1.00 0.60 H new ATOM 0 HB3 LYS A 20 -7.338 -6.592 -4.971 1.00 0.60 H new ATOM 0 HG2 LYS A 20 -7.266 -6.540 -7.285 1.00 0.68 H new ATOM 0 HG3 LYS A 20 -6.036 -5.292 -7.330 1.00 0.68 H new ATOM 0 HD2 LYS A 20 -4.616 -6.981 -7.916 1.00 1.70 H new ATOM 0 HD3 LYS A 20 -4.611 -7.371 -6.208 1.00 1.70 H new ATOM 0 HE2 LYS A 20 -6.774 -8.784 -6.777 1.00 2.06 H new ATOM 0 HE3 LYS A 20 -6.212 -8.671 -8.433 1.00 2.06 H new ATOM 0 HZ1 LYS A 20 -5.368 -10.650 -7.354 1.00 3.60 H new ATOM 0 HZ2 LYS A 20 -4.085 -9.609 -7.746 1.00 3.60 H new ATOM 0 HZ3 LYS A 20 -4.630 -9.718 -6.142 1.00 3.60 H new ATOM 272 N ILE A 21 -4.731 -3.392 -4.571 1.00 0.48 N ATOM 273 CA ILE A 21 -3.595 -2.524 -4.829 1.00 0.46 C ATOM 274 C ILE A 21 -2.525 -3.305 -5.594 1.00 0.46 C ATOM 275 O ILE A 21 -2.279 -4.475 -5.303 1.00 0.45 O ATOM 276 CB ILE A 21 -3.089 -1.902 -3.525 1.00 0.45 C ATOM 277 CG1 ILE A 21 -3.848 -0.614 -3.201 1.00 0.46 C ATOM 278 CG2 ILE A 21 -1.576 -1.679 -3.575 1.00 0.45 C ATOM 279 CD1 ILE A 21 -4.996 -0.885 -2.226 1.00 0.75 C ATOM 0 H ILE A 21 -4.723 -3.844 -3.657 1.00 0.48 H new ATOM 0 HA ILE A 21 -3.891 -1.687 -5.461 1.00 0.46 H new ATOM 0 HB ILE A 21 -3.284 -2.603 -2.714 1.00 0.45 H new ATOM 0 HG12 ILE A 21 -3.164 0.117 -2.769 1.00 0.46 H new ATOM 0 HG13 ILE A 21 -4.241 -0.178 -4.120 1.00 0.46 H new ATOM 0 HG21 ILE A 21 -1.242 -1.236 -2.637 1.00 0.45 H new ATOM 0 HG22 ILE A 21 -1.072 -2.634 -3.725 1.00 0.45 H new ATOM 0 HG23 ILE A 21 -1.334 -1.008 -4.399 1.00 0.45 H new ATOM 0 HD11 ILE A 21 -5.519 0.047 -2.012 1.00 0.75 H new ATOM 0 HD12 ILE A 21 -5.691 -1.597 -2.671 1.00 0.75 H new ATOM 0 HD13 ILE A 21 -4.597 -1.298 -1.300 1.00 0.75 H new ATOM 291 N GLU A 22 -1.917 -2.627 -6.556 1.00 0.47 N ATOM 292 CA GLU A 22 -0.878 -3.243 -7.365 1.00 0.48 C ATOM 293 C GLU A 22 0.470 -2.573 -7.097 1.00 0.46 C ATOM 294 O GLU A 22 0.528 -1.375 -6.822 1.00 0.46 O ATOM 295 CB GLU A 22 -1.235 -3.183 -8.851 1.00 0.50 C ATOM 296 CG GLU A 22 -1.109 -4.563 -9.500 1.00 0.55 C ATOM 297 CD GLU A 22 -1.199 -4.463 -11.025 1.00 1.04 C ATOM 298 OE1 GLU A 22 -2.352 -4.109 -11.481 1.00 2.50 O ATOM 299 OE2 GLU A 22 -0.205 -4.715 -11.722 1.00 1.64 O ATOM 0 H GLU A 22 -2.124 -1.657 -6.794 1.00 0.47 H new ATOM 0 HA GLU A 22 -0.800 -4.294 -7.085 1.00 0.48 H new ATOM 0 HB2 GLU A 22 -2.253 -2.813 -8.970 1.00 0.50 H new ATOM 0 HB3 GLU A 22 -0.578 -2.477 -9.359 1.00 0.50 H new ATOM 0 HG2 GLU A 22 -0.159 -5.016 -9.217 1.00 0.55 H new ATOM 0 HG3 GLU A 22 -1.897 -5.217 -9.128 1.00 0.55 H new ATOM 306 N LEU A 23 1.522 -3.374 -7.186 1.00 0.47 N ATOM 307 CA LEU A 23 2.866 -2.873 -6.956 1.00 0.47 C ATOM 308 C LEU A 23 3.847 -3.632 -7.851 1.00 0.48 C ATOM 309 O LEU A 23 3.706 -4.838 -8.052 1.00 0.49 O ATOM 310 CB LEU A 23 3.215 -2.937 -5.468 1.00 0.51 C ATOM 311 CG LEU A 23 2.317 -2.124 -4.534 1.00 0.56 C ATOM 312 CD1 LEU A 23 2.260 -2.755 -3.141 1.00 0.63 C ATOM 313 CD2 LEU A 23 2.760 -0.660 -4.482 1.00 0.52 C ATOM 0 H LEU A 23 1.470 -4.367 -7.414 1.00 0.47 H new ATOM 0 HA LEU A 23 2.932 -1.820 -7.229 1.00 0.47 H new ATOM 0 HB2 LEU A 23 3.185 -3.980 -5.152 1.00 0.51 H new ATOM 0 HB3 LEU A 23 4.242 -2.595 -5.341 1.00 0.51 H new ATOM 0 HG LEU A 23 1.304 -2.139 -4.937 1.00 0.56 H new ATOM 0 HD11 LEU A 23 1.615 -2.157 -2.497 1.00 0.63 H new ATOM 0 HD12 LEU A 23 1.861 -3.767 -3.216 1.00 0.63 H new ATOM 0 HD13 LEU A 23 3.263 -2.791 -2.717 1.00 0.63 H new ATOM 0 HD21 LEU A 23 2.104 -0.105 -3.811 1.00 0.52 H new ATOM 0 HD22 LEU A 23 3.785 -0.603 -4.117 1.00 0.52 H new ATOM 0 HD23 LEU A 23 2.706 -0.228 -5.481 1.00 0.52 H new ATOM 325 N HIS A 24 4.822 -2.895 -8.366 1.00 0.48 N ATOM 326 CA HIS A 24 5.826 -3.485 -9.234 1.00 0.50 C ATOM 327 C HIS A 24 7.217 -3.018 -8.800 1.00 0.51 C ATOM 328 O HIS A 24 7.355 -1.978 -8.157 1.00 0.52 O ATOM 329 CB HIS A 24 5.527 -3.172 -10.701 1.00 0.51 C ATOM 330 CG HIS A 24 4.475 -4.062 -11.318 1.00 0.53 C ATOM 331 ND1 HIS A 24 4.759 -5.317 -11.826 1.00 0.58 N ATOM 332 CD2 HIS A 24 3.138 -3.866 -11.501 1.00 0.59 C ATOM 333 CE1 HIS A 24 3.636 -5.844 -12.292 1.00 0.60 C ATOM 334 NE2 HIS A 24 2.633 -4.943 -12.090 1.00 0.60 N ATOM 0 H HIS A 24 4.937 -1.895 -8.198 1.00 0.48 H new ATOM 0 HA HIS A 24 5.800 -4.571 -9.142 1.00 0.50 H new ATOM 0 HB2 HIS A 24 5.203 -2.134 -10.781 1.00 0.51 H new ATOM 0 HB3 HIS A 24 6.448 -3.264 -11.276 1.00 0.51 H new ATOM 0 HD2 HIS A 24 2.584 -2.984 -11.215 1.00 0.59 H new ATOM 0 HE1 HIS A 24 3.533 -6.816 -12.751 1.00 0.60 H new ATOM 0 HE2 HIS A 24 1.655 -5.075 -12.349 1.00 0.60 H new ATOM 342 N PHE A 25 8.214 -3.809 -9.169 1.00 0.57 N ATOM 343 CA PHE A 25 9.589 -3.491 -8.825 1.00 0.60 C ATOM 344 C PHE A 25 10.565 -4.141 -9.808 1.00 0.67 C ATOM 345 O PHE A 25 10.588 -5.363 -9.948 1.00 0.88 O ATOM 346 CB PHE A 25 9.842 -4.053 -7.425 1.00 0.63 C ATOM 347 CG PHE A 25 9.585 -3.052 -6.296 1.00 0.74 C ATOM 348 CD1 PHE A 25 10.421 -1.994 -6.121 1.00 2.16 C ATOM 349 CD2 PHE A 25 8.519 -3.223 -5.468 1.00 1.61 C ATOM 350 CE1 PHE A 25 10.181 -1.067 -5.074 1.00 2.46 C ATOM 351 CE2 PHE A 25 8.281 -2.294 -4.421 1.00 1.68 C ATOM 352 CZ PHE A 25 9.116 -1.236 -4.246 1.00 1.46 C ATOM 0 H PHE A 25 8.096 -4.670 -9.703 1.00 0.57 H new ATOM 0 HA PHE A 25 9.742 -2.412 -8.863 1.00 0.60 H new ATOM 0 HB2 PHE A 25 9.206 -4.926 -7.275 1.00 0.63 H new ATOM 0 HB3 PHE A 25 10.875 -4.397 -7.364 1.00 0.63 H new ATOM 0 HD1 PHE A 25 11.267 -1.859 -6.779 1.00 2.16 H new ATOM 0 HD2 PHE A 25 7.855 -4.064 -5.607 1.00 1.61 H new ATOM 0 HE1 PHE A 25 10.845 -0.227 -4.935 1.00 2.46 H new ATOM 0 HE2 PHE A 25 7.435 -2.428 -3.763 1.00 1.68 H new ATOM 0 HZ PHE A 25 8.934 -0.530 -3.450 1.00 1.46 H new ATOM 362 N SER A 26 11.347 -3.297 -10.463 1.00 0.71 N ATOM 363 CA SER A 26 12.323 -3.774 -11.429 1.00 0.80 C ATOM 364 C SER A 26 13.502 -4.426 -10.703 1.00 0.82 C ATOM 365 O SER A 26 14.401 -4.972 -11.339 1.00 0.94 O ATOM 366 CB SER A 26 12.814 -2.636 -12.324 1.00 1.06 C ATOM 367 OG SER A 26 12.397 -2.802 -13.677 1.00 1.49 O ATOM 0 H SER A 26 11.325 -2.284 -10.344 1.00 0.71 H new ATOM 0 HA SER A 26 11.840 -4.516 -12.065 1.00 0.80 H new ATOM 0 HB2 SER A 26 12.438 -1.687 -11.943 1.00 1.06 H new ATOM 0 HB3 SER A 26 13.902 -2.587 -12.284 1.00 1.06 H new ATOM 0 HG SER A 26 12.729 -2.054 -14.216 1.00 1.49 H new ATOM 499 N GLY A 35 7.206 -5.060 2.816 1.00 0.64 N ATOM 500 CA GLY A 35 5.793 -5.387 2.909 1.00 0.83 C ATOM 501 C GLY A 35 4.930 -4.130 2.787 1.00 0.78 C ATOM 502 O GLY A 35 5.403 -3.089 2.336 1.00 0.92 O ATOM 0 HA2 GLY A 35 5.527 -6.093 2.122 1.00 0.83 H new ATOM 0 HA3 GLY A 35 5.592 -5.880 3.860 1.00 0.83 H new ATOM 506 N ALA A 36 3.678 -4.270 3.198 1.00 0.70 N ATOM 507 CA ALA A 36 2.743 -3.158 3.139 1.00 0.69 C ATOM 508 C ALA A 36 1.644 -3.366 4.184 1.00 0.79 C ATOM 509 O ALA A 36 1.434 -4.483 4.654 1.00 0.91 O ATOM 510 CB ALA A 36 2.184 -3.035 1.721 1.00 0.70 C ATOM 0 H ALA A 36 3.289 -5.135 3.573 1.00 0.70 H new ATOM 0 HA ALA A 36 3.247 -2.220 3.372 1.00 0.69 H new ATOM 0 HB1 ALA A 36 1.483 -2.201 1.677 1.00 0.70 H new ATOM 0 HB2 ALA A 36 3.001 -2.859 1.022 1.00 0.70 H new ATOM 0 HB3 ALA A 36 1.668 -3.957 1.452 1.00 0.70 H new ATOM 516 N LYS A 37 0.973 -2.273 4.516 1.00 0.77 N ATOM 517 CA LYS A 37 -0.098 -2.321 5.495 1.00 0.89 C ATOM 518 C LYS A 37 -1.057 -1.154 5.254 1.00 0.82 C ATOM 519 O LYS A 37 -0.629 -0.006 5.146 1.00 0.81 O ATOM 520 CB LYS A 37 0.474 -2.365 6.914 1.00 1.09 C ATOM 521 CG LYS A 37 0.574 -3.805 7.421 1.00 1.28 C ATOM 522 CD LYS A 37 -0.405 -4.050 8.571 1.00 2.24 C ATOM 523 CE LYS A 37 0.342 -4.310 9.881 1.00 2.02 C ATOM 524 NZ LYS A 37 -0.456 -3.838 11.034 1.00 2.87 N ATOM 0 H LYS A 37 1.151 -1.348 4.124 1.00 0.77 H new ATOM 0 HA LYS A 37 -0.677 -3.238 5.381 1.00 0.89 H new ATOM 0 HB2 LYS A 37 1.461 -1.902 6.927 1.00 1.09 H new ATOM 0 HB3 LYS A 37 -0.160 -1.783 7.583 1.00 1.09 H new ATOM 0 HG2 LYS A 37 0.363 -4.497 6.606 1.00 1.28 H new ATOM 0 HG3 LYS A 37 1.592 -4.007 7.756 1.00 1.28 H new ATOM 0 HD2 LYS A 37 -1.059 -3.186 8.687 1.00 2.24 H new ATOM 0 HD3 LYS A 37 -1.042 -4.903 8.336 1.00 2.24 H new ATOM 0 HE2 LYS A 37 0.547 -5.376 9.985 1.00 2.02 H new ATOM 0 HE3 LYS A 37 1.305 -3.800 9.865 1.00 2.02 H new ATOM 0 HZ1 LYS A 37 0.065 -4.022 11.915 1.00 2.87 H new ATOM 0 HZ2 LYS A 37 -0.630 -2.817 10.941 1.00 2.87 H new ATOM 0 HZ3 LYS A 37 -1.365 -4.343 11.057 1.00 2.87 H new ATOM 538 N LEU A 38 -2.338 -1.488 5.178 1.00 0.79 N ATOM 539 CA LEU A 38 -3.361 -0.481 4.952 1.00 0.74 C ATOM 540 C LEU A 38 -3.848 0.057 6.298 1.00 0.78 C ATOM 541 O LEU A 38 -4.045 -0.709 7.242 1.00 0.84 O ATOM 542 CB LEU A 38 -4.480 -1.043 4.072 1.00 0.73 C ATOM 543 CG LEU A 38 -5.660 -0.106 3.809 1.00 0.59 C ATOM 544 CD1 LEU A 38 -5.174 1.283 3.390 1.00 0.63 C ATOM 545 CD2 LEU A 38 -6.621 -0.710 2.783 1.00 0.68 C ATOM 0 H LEU A 38 -2.690 -2.441 5.269 1.00 0.79 H new ATOM 0 HA LEU A 38 -2.948 0.365 4.402 1.00 0.74 H new ATOM 0 HB2 LEU A 38 -4.050 -1.332 3.113 1.00 0.73 H new ATOM 0 HB3 LEU A 38 -4.860 -1.952 4.538 1.00 0.73 H new ATOM 0 HG LEU A 38 -6.215 0.014 4.739 1.00 0.59 H new ATOM 0 HD11 LEU A 38 -6.033 1.930 3.209 1.00 0.63 H new ATOM 0 HD12 LEU A 38 -4.560 1.709 4.184 1.00 0.63 H new ATOM 0 HD13 LEU A 38 -4.582 1.202 2.478 1.00 0.63 H new ATOM 0 HD21 LEU A 38 -7.451 -0.024 2.614 1.00 0.68 H new ATOM 0 HD22 LEU A 38 -6.093 -0.878 1.845 1.00 0.68 H new ATOM 0 HD23 LEU A 38 -7.005 -1.659 3.158 1.00 0.68 H new ATOM 557 N VAL A 39 -4.028 1.369 6.346 1.00 0.78 N ATOM 558 CA VAL A 39 -4.489 2.017 7.561 1.00 0.84 C ATOM 559 C VAL A 39 -5.556 3.055 7.208 1.00 0.80 C ATOM 560 O VAL A 39 -5.385 3.831 6.270 1.00 0.80 O ATOM 561 CB VAL A 39 -3.301 2.616 8.318 1.00 0.97 C ATOM 562 CG1 VAL A 39 -2.170 1.595 8.459 1.00 1.02 C ATOM 563 CG2 VAL A 39 -2.804 3.892 7.636 1.00 0.99 C ATOM 0 H VAL A 39 -3.863 2.001 5.562 1.00 0.78 H new ATOM 0 HA VAL A 39 -4.951 1.290 8.229 1.00 0.84 H new ATOM 0 HB VAL A 39 -3.641 2.881 9.319 1.00 0.97 H new ATOM 0 HG11 VAL A 39 -1.338 2.046 9.000 1.00 1.02 H new ATOM 0 HG12 VAL A 39 -2.531 0.725 9.008 1.00 1.02 H new ATOM 0 HG13 VAL A 39 -1.834 1.286 7.469 1.00 1.02 H new ATOM 0 HG21 VAL A 39 -1.960 4.297 8.194 1.00 0.99 H new ATOM 0 HG22 VAL A 39 -2.490 3.662 6.618 1.00 0.99 H new ATOM 0 HG23 VAL A 39 -3.608 4.627 7.610 1.00 0.99 H new ATOM 573 N MET A 40 -6.634 3.034 7.979 1.00 0.81 N ATOM 574 CA MET A 40 -7.729 3.963 7.759 1.00 0.83 C ATOM 575 C MET A 40 -7.481 5.286 8.486 1.00 0.91 C ATOM 576 O MET A 40 -7.834 5.432 9.656 1.00 0.94 O ATOM 577 CB MET A 40 -9.034 3.342 8.260 1.00 0.85 C ATOM 578 CG MET A 40 -10.179 4.355 8.208 1.00 0.95 C ATOM 579 SD MET A 40 -10.804 4.656 9.853 1.00 1.47 S ATOM 580 CE MET A 40 -11.668 3.120 10.142 1.00 2.76 C ATOM 0 H MET A 40 -6.772 2.388 8.756 1.00 0.81 H new ATOM 0 HA MET A 40 -7.799 4.165 6.690 1.00 0.83 H new ATOM 0 HB2 MET A 40 -9.285 2.473 7.651 1.00 0.85 H new ATOM 0 HB3 MET A 40 -8.903 2.988 9.283 1.00 0.85 H new ATOM 0 HG2 MET A 40 -9.830 5.288 7.766 1.00 0.95 H new ATOM 0 HG3 MET A 40 -10.979 3.980 7.569 1.00 0.95 H new ATOM 0 HE1 MET A 40 -12.607 3.322 10.658 1.00 2.76 H new ATOM 0 HE2 MET A 40 -11.875 2.634 9.189 1.00 2.76 H new ATOM 0 HE3 MET A 40 -11.050 2.465 10.756 1.00 2.76 H new ATOM 590 N THR A 41 -6.875 6.217 7.764 1.00 0.99 N ATOM 591 CA THR A 41 -6.574 7.522 8.326 1.00 1.11 C ATOM 592 C THR A 41 -7.314 8.618 7.555 1.00 1.19 C ATOM 593 O THR A 41 -6.690 9.519 6.997 1.00 1.45 O ATOM 594 CB THR A 41 -5.055 7.699 8.325 1.00 1.40 C ATOM 595 OG1 THR A 41 -4.856 8.996 8.884 1.00 1.53 O ATOM 596 CG2 THR A 41 -4.478 7.810 6.913 1.00 1.59 C ATOM 0 H THR A 41 -6.584 6.093 6.794 1.00 0.99 H new ATOM 0 HA THR A 41 -6.924 7.599 9.356 1.00 1.11 H new ATOM 0 HB THR A 41 -4.592 6.858 8.841 1.00 1.40 H new ATOM 0 HG1 THR A 41 -5.274 9.669 8.307 1.00 1.53 H new ATOM 0 HG21 THR A 41 -3.397 7.934 6.971 1.00 1.59 H new ATOM 0 HG22 THR A 41 -4.710 6.904 6.353 1.00 1.59 H new ATOM 0 HG23 THR A 41 -4.916 8.671 6.408 1.00 1.59 H new ATOM 604 N ALA A 42 -8.633 8.504 7.547 1.00 1.05 N ATOM 605 CA ALA A 42 -9.465 9.473 6.854 1.00 1.24 C ATOM 606 C ALA A 42 -9.323 10.837 7.531 1.00 1.37 C ATOM 607 O ALA A 42 -8.654 10.959 8.556 1.00 2.61 O ATOM 608 CB ALA A 42 -10.914 8.981 6.833 1.00 1.21 C ATOM 0 H ALA A 42 -9.147 7.755 8.010 1.00 1.05 H new ATOM 0 HA ALA A 42 -9.143 9.583 5.818 1.00 1.24 H new ATOM 0 HB1 ALA A 42 -11.538 9.708 6.313 1.00 1.21 H new ATOM 0 HB2 ALA A 42 -10.966 8.023 6.316 1.00 1.21 H new ATOM 0 HB3 ALA A 42 -11.272 8.861 7.855 1.00 1.21 H new ATOM 726 N MET A 51 -5.580 3.833 11.613 1.00 1.23 N ATOM 727 CA MET A 51 -6.018 2.531 12.087 1.00 1.19 C ATOM 728 C MET A 51 -5.764 1.451 11.034 1.00 1.12 C ATOM 729 O MET A 51 -6.341 1.490 9.948 1.00 1.17 O ATOM 730 CB MET A 51 -7.511 2.583 12.416 1.00 1.14 C ATOM 731 CG MET A 51 -7.753 3.279 13.757 1.00 1.33 C ATOM 732 SD MET A 51 -8.357 2.102 14.955 1.00 2.46 S ATOM 733 CE MET A 51 -9.996 2.754 15.232 1.00 2.46 C ATOM 0 HA MET A 51 -5.449 2.280 12.982 1.00 1.19 H new ATOM 0 HB2 MET A 51 -8.043 3.113 11.626 1.00 1.14 H new ATOM 0 HB3 MET A 51 -7.915 1.571 12.449 1.00 1.14 H new ATOM 0 HG2 MET A 51 -6.828 3.731 14.114 1.00 1.33 H new ATOM 0 HG3 MET A 51 -8.475 4.086 13.632 1.00 1.33 H new ATOM 0 HE1 MET A 51 -10.516 2.132 15.961 1.00 2.46 H new ATOM 0 HE2 MET A 51 -9.923 3.773 15.611 1.00 2.46 H new ATOM 0 HE3 MET A 51 -10.551 2.755 14.294 1.00 2.46 H new ATOM 743 N ALA A 52 -4.900 0.512 11.390 1.00 1.13 N ATOM 744 CA ALA A 52 -4.563 -0.576 10.490 1.00 1.10 C ATOM 745 C ALA A 52 -5.817 -1.407 10.209 1.00 1.01 C ATOM 746 O ALA A 52 -6.687 -1.535 11.070 1.00 0.97 O ATOM 747 CB ALA A 52 -3.435 -1.411 11.097 1.00 1.24 C ATOM 0 H ALA A 52 -4.423 0.483 12.291 1.00 1.13 H new ATOM 0 HA ALA A 52 -4.204 -0.188 9.537 1.00 1.10 H new ATOM 0 HB1 ALA A 52 -3.182 -2.228 10.421 1.00 1.24 H new ATOM 0 HB2 ALA A 52 -2.558 -0.782 11.249 1.00 1.24 H new ATOM 0 HB3 ALA A 52 -3.759 -1.820 12.054 1.00 1.24 H new ATOM 753 N VAL A 53 -5.870 -1.952 9.003 1.00 1.01 N ATOM 754 CA VAL A 53 -7.003 -2.767 8.599 1.00 0.97 C ATOM 755 C VAL A 53 -6.519 -4.184 8.282 1.00 1.01 C ATOM 756 O VAL A 53 -5.389 -4.373 7.835 1.00 1.18 O ATOM 757 CB VAL A 53 -7.729 -2.108 7.425 1.00 0.92 C ATOM 758 CG1 VAL A 53 -7.011 -2.395 6.105 1.00 0.87 C ATOM 759 CG2 VAL A 53 -9.191 -2.557 7.363 1.00 1.02 C ATOM 0 H VAL A 53 -5.146 -1.845 8.292 1.00 1.01 H new ATOM 0 HA VAL A 53 -7.727 -2.844 9.410 1.00 0.97 H new ATOM 0 HB VAL A 53 -7.716 -1.030 7.586 1.00 0.92 H new ATOM 0 HG11 VAL A 53 -7.548 -1.915 5.287 1.00 0.87 H new ATOM 0 HG12 VAL A 53 -5.995 -2.004 6.151 1.00 0.87 H new ATOM 0 HG13 VAL A 53 -6.978 -3.471 5.935 1.00 0.87 H new ATOM 0 HG21 VAL A 53 -9.684 -2.074 6.520 1.00 1.02 H new ATOM 0 HG22 VAL A 53 -9.234 -3.639 7.238 1.00 1.02 H new ATOM 0 HG23 VAL A 53 -9.697 -2.278 8.287 1.00 1.02 H new ATOM 769 N LYS A 54 -7.399 -5.143 8.529 1.00 0.98 N ATOM 770 CA LYS A 54 -7.076 -6.538 8.276 1.00 1.03 C ATOM 771 C LYS A 54 -6.997 -6.773 6.767 1.00 0.94 C ATOM 772 O LYS A 54 -8.023 -6.832 6.091 1.00 0.97 O ATOM 773 CB LYS A 54 -8.069 -7.456 8.992 1.00 1.12 C ATOM 774 CG LYS A 54 -9.382 -7.555 8.213 1.00 2.58 C ATOM 775 CD LYS A 54 -10.553 -7.861 9.149 1.00 2.76 C ATOM 776 CE LYS A 54 -11.159 -9.232 8.839 1.00 4.23 C ATOM 777 NZ LYS A 54 -10.582 -10.265 9.727 1.00 4.10 N ATOM 0 H LYS A 54 -8.335 -4.982 8.901 1.00 0.98 H new ATOM 0 HA LYS A 54 -6.097 -6.784 8.688 1.00 1.03 H new ATOM 0 HB2 LYS A 54 -7.634 -8.449 9.107 1.00 1.12 H new ATOM 0 HB3 LYS A 54 -8.264 -7.075 9.995 1.00 1.12 H new ATOM 0 HG2 LYS A 54 -9.568 -6.619 7.686 1.00 2.58 H new ATOM 0 HG3 LYS A 54 -9.302 -8.336 7.457 1.00 2.58 H new ATOM 0 HD2 LYS A 54 -10.212 -7.836 10.184 1.00 2.76 H new ATOM 0 HD3 LYS A 54 -11.317 -7.090 9.046 1.00 2.76 H new ATOM 0 HE2 LYS A 54 -12.241 -9.196 8.968 1.00 4.23 H new ATOM 0 HE3 LYS A 54 -10.971 -9.493 7.797 1.00 4.23 H new ATOM 0 HZ1 LYS A 54 -11.003 -11.189 9.504 1.00 4.10 H new ATOM 0 HZ2 LYS A 54 -9.553 -10.310 9.584 1.00 4.10 H new ATOM 0 HZ3 LYS A 54 -10.784 -10.023 10.718 1.00 4.10 H new ATOM 791 N ALA A 55 -5.771 -6.901 6.283 1.00 0.97 N ATOM 792 CA ALA A 55 -5.546 -7.129 4.866 1.00 0.90 C ATOM 793 C ALA A 55 -4.439 -8.171 4.691 1.00 0.98 C ATOM 794 O ALA A 55 -3.819 -8.594 5.666 1.00 1.09 O ATOM 795 CB ALA A 55 -5.209 -5.802 4.183 1.00 0.84 C ATOM 0 H ALA A 55 -4.923 -6.851 6.847 1.00 0.97 H new ATOM 0 HA ALA A 55 -6.446 -7.521 4.393 1.00 0.90 H new ATOM 0 HB1 ALA A 55 -5.040 -5.973 3.120 1.00 0.84 H new ATOM 0 HB2 ALA A 55 -6.038 -5.106 4.312 1.00 0.84 H new ATOM 0 HB3 ALA A 55 -4.309 -5.381 4.630 1.00 0.84 H new ATOM 801 N ALA A 56 -4.224 -8.556 3.441 1.00 0.96 N ATOM 802 CA ALA A 56 -3.203 -9.541 3.127 1.00 1.06 C ATOM 803 C ALA A 56 -2.382 -9.053 1.931 1.00 0.86 C ATOM 804 O ALA A 56 -2.932 -8.506 0.976 1.00 0.76 O ATOM 805 CB ALA A 56 -3.864 -10.896 2.865 1.00 1.26 C ATOM 0 H ALA A 56 -4.739 -8.204 2.634 1.00 0.96 H new ATOM 0 HA ALA A 56 -2.520 -9.668 3.967 1.00 1.06 H new ATOM 0 HB1 ALA A 56 -3.098 -11.635 2.629 1.00 1.26 H new ATOM 0 HB2 ALA A 56 -4.412 -11.211 3.753 1.00 1.26 H new ATOM 0 HB3 ALA A 56 -4.554 -10.808 2.026 1.00 1.26 H new ATOM 811 N VAL A 57 -1.078 -9.268 2.023 1.00 0.84 N ATOM 812 CA VAL A 57 -0.175 -8.858 0.961 1.00 0.68 C ATOM 813 C VAL A 57 0.163 -10.067 0.089 1.00 0.77 C ATOM 814 O VAL A 57 0.653 -11.080 0.587 1.00 0.95 O ATOM 815 CB VAL A 57 1.063 -8.186 1.558 1.00 0.76 C ATOM 816 CG1 VAL A 57 2.121 -7.933 0.482 1.00 2.38 C ATOM 817 CG2 VAL A 57 0.691 -6.887 2.275 1.00 2.47 C ATOM 0 H VAL A 57 -0.625 -9.721 2.817 1.00 0.84 H new ATOM 0 HA VAL A 57 -0.652 -8.118 0.318 1.00 0.68 H new ATOM 0 HB VAL A 57 1.489 -8.866 2.296 1.00 0.76 H new ATOM 0 HG11 VAL A 57 2.991 -7.455 0.932 1.00 2.38 H new ATOM 0 HG12 VAL A 57 2.419 -8.881 0.035 1.00 2.38 H new ATOM 0 HG13 VAL A 57 1.708 -7.283 -0.289 1.00 2.38 H new ATOM 0 HG21 VAL A 57 1.590 -6.430 2.690 1.00 2.47 H new ATOM 0 HG22 VAL A 57 0.229 -6.200 1.566 1.00 2.47 H new ATOM 0 HG23 VAL A 57 -0.011 -7.104 3.080 1.00 2.47 H new ATOM 827 N SER A 58 -0.112 -9.923 -1.200 1.00 0.74 N ATOM 828 CA SER A 58 0.158 -10.993 -2.147 1.00 0.93 C ATOM 829 C SER A 58 1.300 -10.588 -3.082 1.00 0.62 C ATOM 830 O SER A 58 1.758 -9.447 -3.050 1.00 1.20 O ATOM 831 CB SER A 58 -1.093 -11.339 -2.956 1.00 1.53 C ATOM 832 OG SER A 58 -2.199 -11.662 -2.118 1.00 1.90 O ATOM 0 H SER A 58 -0.519 -9.082 -1.610 1.00 0.74 H new ATOM 0 HA SER A 58 0.453 -11.880 -1.587 1.00 0.93 H new ATOM 0 HB2 SER A 58 -1.356 -10.496 -3.595 1.00 1.53 H new ATOM 0 HB3 SER A 58 -0.878 -12.182 -3.613 1.00 1.53 H new ATOM 0 HG SER A 58 -2.978 -11.875 -2.673 1.00 1.90 H new ATOM 838 N GLY A 59 1.726 -11.546 -3.892 1.00 0.82 N ATOM 839 CA GLY A 59 2.806 -11.304 -4.833 1.00 0.57 C ATOM 840 C GLY A 59 2.634 -12.153 -6.095 1.00 0.90 C ATOM 841 O GLY A 59 2.250 -13.318 -6.015 1.00 1.32 O ATOM 0 H GLY A 59 1.343 -12.491 -3.916 1.00 0.82 H new ATOM 0 HA2 GLY A 59 2.830 -10.248 -5.101 1.00 0.57 H new ATOM 0 HA3 GLY A 59 3.762 -11.535 -4.362 1.00 0.57 H new ATOM 885 N LYS A 64 9.096 -9.469 -6.888 1.00 1.26 N ATOM 886 CA LYS A 64 9.172 -8.044 -7.157 1.00 1.29 C ATOM 887 C LYS A 64 7.759 -7.485 -7.329 1.00 1.09 C ATOM 888 O LYS A 64 7.515 -6.309 -7.062 1.00 1.24 O ATOM 889 CB LYS A 64 10.090 -7.772 -8.351 1.00 1.48 C ATOM 890 CG LYS A 64 9.328 -7.907 -9.670 1.00 1.65 C ATOM 891 CD LYS A 64 10.238 -8.450 -10.775 1.00 1.53 C ATOM 892 CE LYS A 64 9.451 -8.689 -12.065 1.00 1.55 C ATOM 893 NZ LYS A 64 10.365 -9.042 -13.173 1.00 1.97 N ATOM 0 HA LYS A 64 9.621 -7.521 -6.313 1.00 1.29 H new ATOM 0 HB2 LYS A 64 10.510 -6.769 -8.270 1.00 1.48 H new ATOM 0 HB3 LYS A 64 10.927 -8.470 -8.337 1.00 1.48 H new ATOM 0 HG2 LYS A 64 8.476 -8.573 -9.535 1.00 1.65 H new ATOM 0 HG3 LYS A 64 8.930 -6.936 -9.966 1.00 1.65 H new ATOM 0 HD2 LYS A 64 11.047 -7.745 -10.964 1.00 1.53 H new ATOM 0 HD3 LYS A 64 10.698 -9.382 -10.447 1.00 1.53 H new ATOM 0 HE2 LYS A 64 8.728 -9.490 -11.913 1.00 1.55 H new ATOM 0 HE3 LYS A 64 8.885 -7.794 -12.324 1.00 1.55 H new ATOM 0 HZ1 LYS A 64 9.814 -9.201 -14.041 1.00 1.97 H new ATOM 0 HZ2 LYS A 64 11.039 -8.265 -13.328 1.00 1.97 H new ATOM 0 HZ3 LYS A 64 10.886 -9.909 -12.930 1.00 1.97 H new ATOM 907 N THR A 65 6.864 -8.354 -7.775 1.00 0.87 N ATOM 908 CA THR A 65 5.481 -7.962 -7.987 1.00 0.70 C ATOM 909 C THR A 65 4.657 -8.212 -6.722 1.00 0.62 C ATOM 910 O THR A 65 4.660 -9.317 -6.182 1.00 0.74 O ATOM 911 CB THR A 65 4.958 -8.716 -9.211 1.00 0.77 C ATOM 912 OG1 THR A 65 5.606 -8.082 -10.311 1.00 0.85 O ATOM 913 CG2 THR A 65 3.469 -8.464 -9.462 1.00 0.73 C ATOM 0 H THR A 65 7.070 -9.328 -7.995 1.00 0.87 H new ATOM 0 HA THR A 65 5.399 -6.893 -8.186 1.00 0.70 H new ATOM 0 HB THR A 65 5.129 -9.784 -9.080 1.00 0.77 H new ATOM 0 HG1 THR A 65 5.139 -7.249 -10.530 1.00 0.85 H new ATOM 0 HG21 THR A 65 3.149 -9.022 -10.342 1.00 0.73 H new ATOM 0 HG22 THR A 65 2.894 -8.791 -8.596 1.00 0.73 H new ATOM 0 HG23 THR A 65 3.303 -7.400 -9.628 1.00 0.73 H new ATOM 921 N MET A 66 3.970 -7.166 -6.285 1.00 0.52 N ATOM 922 CA MET A 66 3.143 -7.259 -5.094 1.00 0.48 C ATOM 923 C MET A 66 1.706 -6.825 -5.390 1.00 0.43 C ATOM 924 O MET A 66 1.473 -5.977 -6.250 1.00 0.49 O ATOM 925 CB MET A 66 3.729 -6.369 -3.995 1.00 0.53 C ATOM 926 CG MET A 66 4.245 -7.209 -2.826 1.00 0.59 C ATOM 927 SD MET A 66 5.352 -8.475 -3.426 1.00 1.38 S ATOM 928 CE MET A 66 6.656 -7.455 -4.093 1.00 0.89 C ATOM 0 H MET A 66 3.969 -6.250 -6.734 1.00 0.52 H new ATOM 0 HA MET A 66 3.129 -8.298 -4.764 1.00 0.48 H new ATOM 0 HB2 MET A 66 4.542 -5.769 -4.403 1.00 0.53 H new ATOM 0 HB3 MET A 66 2.968 -5.674 -3.640 1.00 0.53 H new ATOM 0 HG2 MET A 66 4.763 -6.571 -2.110 1.00 0.59 H new ATOM 0 HG3 MET A 66 3.408 -7.666 -2.299 1.00 0.59 H new ATOM 0 HE1 MET A 66 7.491 -8.086 -4.399 1.00 0.89 H new ATOM 0 HE2 MET A 66 6.282 -6.904 -4.956 1.00 0.89 H new ATOM 0 HE3 MET A 66 6.993 -6.751 -3.332 1.00 0.89 H new ATOM 938 N VAL A 67 0.778 -7.427 -4.659 1.00 0.43 N ATOM 939 CA VAL A 67 -0.630 -7.114 -4.833 1.00 0.43 C ATOM 940 C VAL A 67 -1.322 -7.122 -3.468 1.00 0.49 C ATOM 941 O VAL A 67 -1.436 -8.168 -2.832 1.00 0.63 O ATOM 942 CB VAL A 67 -1.263 -8.087 -5.829 1.00 0.47 C ATOM 943 CG1 VAL A 67 -1.148 -7.558 -7.261 1.00 1.99 C ATOM 944 CG2 VAL A 67 -0.641 -9.479 -5.708 1.00 1.62 C ATOM 0 H VAL A 67 0.974 -8.129 -3.946 1.00 0.43 H new ATOM 0 HA VAL A 67 -0.750 -6.115 -5.253 1.00 0.43 H new ATOM 0 HB VAL A 67 -2.322 -8.172 -5.586 1.00 0.47 H new ATOM 0 HG11 VAL A 67 -1.606 -8.269 -7.949 1.00 1.99 H new ATOM 0 HG12 VAL A 67 -1.660 -6.599 -7.337 1.00 1.99 H new ATOM 0 HG13 VAL A 67 -0.097 -7.430 -7.518 1.00 1.99 H new ATOM 0 HG21 VAL A 67 -1.109 -10.151 -6.427 1.00 1.62 H new ATOM 0 HG22 VAL A 67 0.428 -9.419 -5.911 1.00 1.62 H new ATOM 0 HG23 VAL A 67 -0.798 -9.861 -4.699 1.00 1.62 H new ATOM 954 N ILE A 68 -1.765 -5.942 -3.058 1.00 0.43 N ATOM 955 CA ILE A 68 -2.442 -5.800 -1.780 1.00 0.48 C ATOM 956 C ILE A 68 -3.925 -6.133 -1.954 1.00 0.50 C ATOM 957 O ILE A 68 -4.622 -5.490 -2.738 1.00 0.51 O ATOM 958 CB ILE A 68 -2.188 -4.411 -1.191 1.00 0.53 C ATOM 959 CG1 ILE A 68 -1.076 -4.455 -0.141 1.00 0.60 C ATOM 960 CG2 ILE A 68 -3.479 -3.808 -0.633 1.00 0.65 C ATOM 961 CD1 ILE A 68 0.303 -4.380 -0.800 1.00 0.60 C ATOM 0 H ILE A 68 -1.668 -5.076 -3.588 1.00 0.43 H new ATOM 0 HA ILE A 68 -2.039 -6.507 -1.054 1.00 0.48 H new ATOM 0 HB ILE A 68 -1.847 -3.757 -1.994 1.00 0.53 H new ATOM 0 HG12 ILE A 68 -1.196 -3.625 0.556 1.00 0.60 H new ATOM 0 HG13 ILE A 68 -1.156 -5.374 0.440 1.00 0.60 H new ATOM 0 HG21 ILE A 68 -3.271 -2.821 -0.220 1.00 0.65 H new ATOM 0 HG22 ILE A 68 -4.214 -3.719 -1.433 1.00 0.65 H new ATOM 0 HG23 ILE A 68 -3.873 -4.454 0.152 1.00 0.65 H new ATOM 0 HD11 ILE A 68 1.076 -4.413 -0.032 1.00 0.60 H new ATOM 0 HD12 ILE A 68 0.429 -5.224 -1.478 1.00 0.60 H new ATOM 0 HD13 ILE A 68 0.388 -3.449 -1.360 1.00 0.60 H new ATOM 973 N THR A 69 -4.365 -7.137 -1.210 1.00 0.54 N ATOM 974 CA THR A 69 -5.753 -7.564 -1.272 1.00 0.59 C ATOM 975 C THR A 69 -6.315 -7.756 0.138 1.00 0.62 C ATOM 976 O THR A 69 -6.044 -8.767 0.785 1.00 0.83 O ATOM 977 CB THR A 69 -5.821 -8.827 -2.131 1.00 0.75 C ATOM 978 OG1 THR A 69 -6.520 -8.413 -3.302 1.00 0.79 O ATOM 979 CG2 THR A 69 -6.722 -9.903 -1.521 1.00 0.80 C ATOM 0 H THR A 69 -3.785 -7.668 -0.561 1.00 0.54 H new ATOM 0 HA THR A 69 -6.381 -6.804 -1.737 1.00 0.59 H new ATOM 0 HB THR A 69 -4.817 -9.228 -2.266 1.00 0.75 H new ATOM 0 HG1 THR A 69 -6.608 -9.172 -3.916 1.00 0.79 H new ATOM 0 HG21 THR A 69 -6.735 -10.778 -2.171 1.00 0.80 H new ATOM 0 HG22 THR A 69 -6.339 -10.185 -0.540 1.00 0.80 H new ATOM 0 HG23 THR A 69 -7.735 -9.513 -1.417 1.00 0.80 H new ATOM 987 N PRO A 70 -7.106 -6.744 0.585 1.00 0.49 N ATOM 988 CA PRO A 70 -7.709 -6.792 1.906 1.00 0.58 C ATOM 989 C PRO A 70 -8.883 -7.772 1.937 1.00 0.69 C ATOM 990 O PRO A 70 -9.704 -7.792 1.021 1.00 0.68 O ATOM 991 CB PRO A 70 -8.121 -5.360 2.202 1.00 0.53 C ATOM 992 CG PRO A 70 -8.159 -4.650 0.859 1.00 0.46 C ATOM 993 CD PRO A 70 -7.447 -5.531 -0.154 1.00 0.40 C ATOM 0 HA PRO A 70 -7.023 -7.160 2.669 1.00 0.58 H new ATOM 0 HB2 PRO A 70 -9.096 -5.327 2.689 1.00 0.53 H new ATOM 0 HB3 PRO A 70 -7.411 -4.881 2.877 1.00 0.53 H new ATOM 0 HG2 PRO A 70 -9.189 -4.470 0.551 1.00 0.46 H new ATOM 0 HG3 PRO A 70 -7.672 -3.677 0.928 1.00 0.46 H new ATOM 0 HD2 PRO A 70 -8.089 -5.754 -1.006 1.00 0.40 H new ATOM 0 HD3 PRO A 70 -6.555 -5.042 -0.546 1.00 0.40 H new ATOM 1001 N ALA A 71 -8.926 -8.561 3.001 1.00 0.88 N ATOM 1002 CA ALA A 71 -9.988 -9.541 3.164 1.00 1.04 C ATOM 1003 C ALA A 71 -11.330 -8.816 3.284 1.00 1.06 C ATOM 1004 O ALA A 71 -12.338 -9.278 2.751 1.00 1.29 O ATOM 1005 CB ALA A 71 -9.688 -10.420 4.379 1.00 1.21 C ATOM 0 H ALA A 71 -8.243 -8.542 3.758 1.00 0.88 H new ATOM 0 HA ALA A 71 -10.044 -10.196 2.294 1.00 1.04 H new ATOM 0 HB1 ALA A 71 -10.484 -11.155 4.502 1.00 1.21 H new ATOM 0 HB2 ALA A 71 -8.739 -10.935 4.230 1.00 1.21 H new ATOM 0 HB3 ALA A 71 -9.628 -9.798 5.272 1.00 1.21 H new ATOM 1011 N SER A 72 -11.300 -7.695 3.989 1.00 0.92 N ATOM 1012 CA SER A 72 -12.502 -6.903 4.187 1.00 0.93 C ATOM 1013 C SER A 72 -12.588 -5.809 3.121 1.00 0.72 C ATOM 1014 O SER A 72 -11.571 -5.250 2.716 1.00 0.54 O ATOM 1015 CB SER A 72 -12.531 -6.285 5.586 1.00 1.05 C ATOM 1016 OG SER A 72 -13.785 -6.485 6.233 1.00 1.24 O ATOM 0 H SER A 72 -10.462 -7.316 4.430 1.00 0.92 H new ATOM 0 HA SER A 72 -13.365 -7.562 4.093 1.00 0.93 H new ATOM 0 HB2 SER A 72 -11.737 -6.722 6.192 1.00 1.05 H new ATOM 0 HB3 SER A 72 -12.326 -5.217 5.515 1.00 1.05 H new ATOM 0 HG SER A 72 -13.762 -6.077 7.124 1.00 1.24 H new ATOM 1022 N PRO A 73 -13.847 -5.527 2.687 1.00 0.83 N ATOM 1023 CA PRO A 73 -14.080 -4.509 1.677 1.00 0.72 C ATOM 1024 C PRO A 73 -13.931 -3.106 2.268 1.00 0.58 C ATOM 1025 O PRO A 73 -14.557 -2.785 3.278 1.00 0.77 O ATOM 1026 CB PRO A 73 -15.478 -4.789 1.153 1.00 0.98 C ATOM 1027 CG PRO A 73 -16.153 -5.654 2.204 1.00 1.19 C ATOM 1028 CD PRO A 73 -15.076 -6.168 3.146 1.00 1.12 C ATOM 0 HA PRO A 73 -13.351 -4.544 0.867 1.00 0.72 H new ATOM 0 HB2 PRO A 73 -16.030 -3.862 0.998 1.00 0.98 H new ATOM 0 HB3 PRO A 73 -15.439 -5.302 0.192 1.00 0.98 H new ATOM 0 HG2 PRO A 73 -16.897 -5.077 2.753 1.00 1.19 H new ATOM 0 HG3 PRO A 73 -16.678 -6.486 1.734 1.00 1.19 H new ATOM 0 HD2 PRO A 73 -15.297 -5.906 4.181 1.00 1.12 H new ATOM 0 HD3 PRO A 73 -14.997 -7.254 3.102 1.00 1.12 H new ATOM 1036 N LEU A 74 -13.103 -2.306 1.614 1.00 0.44 N ATOM 1037 CA LEU A 74 -12.865 -0.945 2.062 1.00 0.48 C ATOM 1038 C LEU A 74 -14.135 -0.117 1.856 1.00 0.50 C ATOM 1039 O LEU A 74 -14.571 0.085 0.724 1.00 0.53 O ATOM 1040 CB LEU A 74 -11.631 -0.361 1.372 1.00 0.61 C ATOM 1041 CG LEU A 74 -10.333 -1.155 1.535 1.00 0.61 C ATOM 1042 CD1 LEU A 74 -9.286 -0.711 0.511 1.00 0.79 C ATOM 1043 CD2 LEU A 74 -9.808 -1.062 2.969 1.00 0.69 C ATOM 0 H LEU A 74 -12.588 -2.575 0.776 1.00 0.44 H new ATOM 0 HA LEU A 74 -12.642 -0.928 3.129 1.00 0.48 H new ATOM 0 HB2 LEU A 74 -11.845 -0.267 0.307 1.00 0.61 H new ATOM 0 HB3 LEU A 74 -11.468 0.647 1.755 1.00 0.61 H new ATOM 0 HG LEU A 74 -10.549 -2.205 1.340 1.00 0.61 H new ATOM 0 HD11 LEU A 74 -8.373 -1.291 0.649 1.00 0.79 H new ATOM 0 HD12 LEU A 74 -9.670 -0.873 -0.496 1.00 0.79 H new ATOM 0 HD13 LEU A 74 -9.067 0.348 0.650 1.00 0.79 H new ATOM 0 HD21 LEU A 74 -8.885 -1.635 3.056 1.00 0.69 H new ATOM 0 HD22 LEU A 74 -9.612 -0.019 3.218 1.00 0.69 H new ATOM 0 HD23 LEU A 74 -10.552 -1.465 3.656 1.00 0.69 H new ATOM 1055 N THR A 75 -14.691 0.342 2.967 1.00 0.60 N ATOM 1056 CA THR A 75 -15.900 1.145 2.923 1.00 0.65 C ATOM 1057 C THR A 75 -15.555 2.621 2.718 1.00 0.71 C ATOM 1058 O THR A 75 -14.382 2.994 2.720 1.00 0.71 O ATOM 1059 CB THR A 75 -16.692 0.879 4.205 1.00 0.77 C ATOM 1060 OG1 THR A 75 -15.802 1.266 5.248 1.00 0.92 O ATOM 1061 CG2 THR A 75 -16.927 -0.613 4.449 1.00 0.79 C ATOM 0 H THR A 75 -14.326 0.173 3.904 1.00 0.60 H new ATOM 0 HA THR A 75 -16.525 0.870 2.074 1.00 0.65 H new ATOM 0 HB THR A 75 -17.652 1.393 4.153 1.00 0.77 H new ATOM 0 HG1 THR A 75 -16.236 1.128 6.116 1.00 0.92 H new ATOM 0 HG21 THR A 75 -17.493 -0.746 5.371 1.00 0.79 H new ATOM 0 HG22 THR A 75 -17.488 -1.034 3.615 1.00 0.79 H new ATOM 0 HG23 THR A 75 -15.968 -1.123 4.536 1.00 0.79 H new ATOM 1069 N ALA A 76 -16.596 3.422 2.545 1.00 0.79 N ATOM 1070 CA ALA A 76 -16.417 4.849 2.339 1.00 0.89 C ATOM 1071 C ALA A 76 -15.391 5.380 3.341 1.00 0.90 C ATOM 1072 O ALA A 76 -15.073 4.710 4.322 1.00 0.97 O ATOM 1073 CB ALA A 76 -17.769 5.555 2.458 1.00 1.08 C ATOM 0 H ALA A 76 -17.567 3.110 2.543 1.00 0.79 H new ATOM 0 HA ALA A 76 -16.033 5.047 1.338 1.00 0.89 H new ATOM 0 HB1 ALA A 76 -17.635 6.626 2.304 1.00 1.08 H new ATOM 0 HB2 ALA A 76 -18.452 5.162 1.705 1.00 1.08 H new ATOM 0 HB3 ALA A 76 -18.184 5.381 3.451 1.00 1.08 H new ATOM 1079 N GLY A 77 -14.901 6.578 3.060 1.00 0.93 N ATOM 1080 CA GLY A 77 -13.917 7.207 3.925 1.00 0.95 C ATOM 1081 C GLY A 77 -12.617 7.483 3.167 1.00 0.86 C ATOM 1082 O GLY A 77 -12.632 7.676 1.952 1.00 0.85 O ATOM 0 H GLY A 77 -15.167 7.130 2.245 1.00 0.93 H new ATOM 0 HA2 GLY A 77 -14.318 8.141 4.319 1.00 0.95 H new ATOM 0 HA3 GLY A 77 -13.714 6.562 4.780 1.00 0.95 H new ATOM 1086 N THR A 78 -11.523 7.491 3.915 1.00 0.85 N ATOM 1087 CA THR A 78 -10.218 7.740 3.329 1.00 0.78 C ATOM 1088 C THR A 78 -9.142 6.940 4.065 1.00 0.70 C ATOM 1089 O THR A 78 -9.091 6.945 5.294 1.00 0.68 O ATOM 1090 CB THR A 78 -9.971 9.250 3.347 1.00 0.74 C ATOM 1091 OG1 THR A 78 -10.650 9.726 2.189 1.00 0.82 O ATOM 1092 CG2 THR A 78 -8.505 9.608 3.092 1.00 0.89 C ATOM 0 H THR A 78 -11.514 7.329 4.922 1.00 0.85 H new ATOM 0 HA THR A 78 -10.179 7.402 2.293 1.00 0.78 H new ATOM 0 HB THR A 78 -10.281 9.657 4.310 1.00 0.74 H new ATOM 0 HG1 THR A 78 -11.308 9.061 1.899 1.00 0.82 H new ATOM 0 HG21 THR A 78 -8.386 10.691 3.116 1.00 0.89 H new ATOM 0 HG22 THR A 78 -7.881 9.157 3.864 1.00 0.89 H new ATOM 0 HG23 THR A 78 -8.203 9.231 2.115 1.00 0.89 H new ATOM 1100 N TYR A 79 -8.306 6.272 3.282 1.00 0.75 N ATOM 1101 CA TYR A 79 -7.235 5.469 3.844 1.00 0.69 C ATOM 1102 C TYR A 79 -5.927 5.687 3.079 1.00 0.64 C ATOM 1103 O TYR A 79 -5.919 6.321 2.025 1.00 0.67 O ATOM 1104 CB TYR A 79 -7.669 4.011 3.682 1.00 0.85 C ATOM 1105 CG TYR A 79 -9.121 3.746 4.086 1.00 0.82 C ATOM 1106 CD1 TYR A 79 -10.153 4.278 3.340 1.00 1.44 C ATOM 1107 CD2 TYR A 79 -9.398 2.975 5.196 1.00 2.37 C ATOM 1108 CE1 TYR A 79 -11.519 4.028 3.721 1.00 1.49 C ATOM 1109 CE2 TYR A 79 -10.764 2.726 5.578 1.00 2.34 C ATOM 1110 CZ TYR A 79 -11.758 3.265 4.821 1.00 0.81 C ATOM 1111 OH TYR A 79 -13.048 3.029 5.180 1.00 0.84 O ATOM 0 H TYR A 79 -8.350 6.271 2.263 1.00 0.75 H new ATOM 0 HA TYR A 79 -7.060 5.739 4.885 1.00 0.69 H new ATOM 0 HB2 TYR A 79 -7.532 3.715 2.642 1.00 0.85 H new ATOM 0 HB3 TYR A 79 -7.014 3.379 4.282 1.00 0.85 H new ATOM 0 HD1 TYR A 79 -9.936 4.881 2.471 1.00 1.44 H new ATOM 0 HD2 TYR A 79 -8.590 2.558 5.779 1.00 2.37 H new ATOM 0 HE1 TYR A 79 -12.336 4.438 3.146 1.00 1.49 H new ATOM 0 HE2 TYR A 79 -10.994 2.125 6.445 1.00 2.34 H new ATOM 0 HH TYR A 79 -13.650 3.408 4.506 1.00 0.84 H new ATOM 1121 N LYS A 80 -4.854 5.150 3.642 1.00 0.61 N ATOM 1122 CA LYS A 80 -3.544 5.278 3.025 1.00 0.61 C ATOM 1123 C LYS A 80 -2.790 3.954 3.161 1.00 0.60 C ATOM 1124 O LYS A 80 -2.557 3.479 4.272 1.00 0.61 O ATOM 1125 CB LYS A 80 -2.792 6.476 3.609 1.00 0.61 C ATOM 1126 CG LYS A 80 -2.186 6.132 4.971 1.00 2.41 C ATOM 1127 CD LYS A 80 -1.507 7.355 5.593 1.00 2.28 C ATOM 1128 CE LYS A 80 -0.953 7.026 6.981 1.00 3.79 C ATOM 1129 NZ LYS A 80 -1.559 7.910 8.003 1.00 4.24 N ATOM 0 H LYS A 80 -4.865 4.626 4.517 1.00 0.61 H new ATOM 0 HA LYS A 80 -3.643 5.481 1.959 1.00 0.61 H new ATOM 0 HB2 LYS A 80 -2.003 6.784 2.923 1.00 0.61 H new ATOM 0 HB3 LYS A 80 -3.472 7.321 3.713 1.00 0.61 H new ATOM 0 HG2 LYS A 80 -2.966 5.766 5.638 1.00 2.41 H new ATOM 0 HG3 LYS A 80 -1.460 5.327 4.857 1.00 2.41 H new ATOM 0 HD2 LYS A 80 -0.699 7.695 4.946 1.00 2.28 H new ATOM 0 HD3 LYS A 80 -2.222 8.174 5.667 1.00 2.28 H new ATOM 0 HE2 LYS A 80 -1.160 5.984 7.224 1.00 3.79 H new ATOM 0 HE3 LYS A 80 0.130 7.145 6.984 1.00 3.79 H new ATOM 0 HZ1 LYS A 80 -0.889 8.045 8.787 1.00 4.24 H new ATOM 0 HZ2 LYS A 80 -1.782 8.832 7.576 1.00 4.24 H new ATOM 0 HZ3 LYS A 80 -2.432 7.475 8.365 1.00 4.24 H new ATOM 1143 N VAL A 81 -2.430 3.395 2.015 1.00 0.61 N ATOM 1144 CA VAL A 81 -1.707 2.135 1.991 1.00 0.61 C ATOM 1145 C VAL A 81 -0.207 2.409 2.112 1.00 0.64 C ATOM 1146 O VAL A 81 0.408 2.930 1.183 1.00 0.69 O ATOM 1147 CB VAL A 81 -2.071 1.346 0.732 1.00 0.57 C ATOM 1148 CG1 VAL A 81 -0.965 0.353 0.368 1.00 0.56 C ATOM 1149 CG2 VAL A 81 -3.415 0.632 0.902 1.00 1.07 C ATOM 0 H VAL A 81 -2.626 3.792 1.096 1.00 0.61 H new ATOM 0 HA VAL A 81 -1.993 1.515 2.841 1.00 0.61 H new ATOM 0 HB VAL A 81 -2.169 2.054 -0.091 1.00 0.57 H new ATOM 0 HG11 VAL A 81 -1.249 -0.195 -0.531 1.00 0.56 H new ATOM 0 HG12 VAL A 81 -0.036 0.894 0.185 1.00 0.56 H new ATOM 0 HG13 VAL A 81 -0.821 -0.348 1.190 1.00 0.56 H new ATOM 0 HG21 VAL A 81 -3.650 0.078 -0.007 1.00 1.07 H new ATOM 0 HG22 VAL A 81 -3.356 -0.059 1.743 1.00 1.07 H new ATOM 0 HG23 VAL A 81 -4.197 1.368 1.091 1.00 1.07 H new ATOM 1159 N ASP A 82 0.339 2.047 3.264 1.00 0.68 N ATOM 1160 CA ASP A 82 1.755 2.249 3.517 1.00 0.72 C ATOM 1161 C ASP A 82 2.527 0.997 3.095 1.00 0.65 C ATOM 1162 O ASP A 82 2.262 -0.097 3.592 1.00 0.73 O ATOM 1163 CB ASP A 82 2.020 2.489 5.004 1.00 0.88 C ATOM 1164 CG ASP A 82 1.463 3.803 5.557 1.00 0.79 C ATOM 1165 OD1 ASP A 82 0.528 4.388 4.991 1.00 1.47 O ATOM 1166 OD2 ASP A 82 2.037 4.230 6.630 1.00 1.65 O ATOM 0 H ASP A 82 -0.174 1.615 4.032 1.00 0.68 H new ATOM 0 HA ASP A 82 2.079 3.121 2.948 1.00 0.72 H new ATOM 0 HB2 ASP A 82 1.592 1.663 5.572 1.00 0.88 H new ATOM 0 HB3 ASP A 82 3.097 2.468 5.174 1.00 0.88 H new ATOM 1171 N TRP A 83 3.467 1.200 2.185 1.00 0.59 N ATOM 1172 CA TRP A 83 4.279 0.101 1.690 1.00 0.54 C ATOM 1173 C TRP A 83 5.739 0.397 2.041 1.00 0.59 C ATOM 1174 O TRP A 83 6.106 1.550 2.261 1.00 0.66 O ATOM 1175 CB TRP A 83 4.057 -0.115 0.192 1.00 0.47 C ATOM 1176 CG TRP A 83 4.176 1.159 -0.646 1.00 0.48 C ATOM 1177 CD1 TRP A 83 3.189 1.901 -1.165 1.00 0.53 C ATOM 1178 CD2 TRP A 83 5.398 1.817 -1.041 1.00 0.51 C ATOM 1179 NE1 TRP A 83 3.682 2.983 -1.864 1.00 0.60 N ATOM 1180 CE2 TRP A 83 5.069 2.930 -1.787 1.00 0.59 C ATOM 1181 CE3 TRP A 83 6.739 1.481 -0.778 1.00 0.51 C ATOM 1182 CZ2 TRP A 83 6.023 3.799 -2.330 1.00 0.69 C ATOM 1183 CZ3 TRP A 83 7.680 2.359 -1.330 1.00 0.61 C ATOM 1184 CH2 TRP A 83 7.365 3.484 -2.082 1.00 0.70 C ATOM 0 H TRP A 83 3.685 2.109 1.777 1.00 0.59 H new ATOM 0 HA TRP A 83 3.989 -0.836 2.165 1.00 0.54 H new ATOM 0 HB2 TRP A 83 4.781 -0.845 -0.170 1.00 0.47 H new ATOM 0 HB3 TRP A 83 3.067 -0.546 0.040 1.00 0.47 H new ATOM 0 HD1 TRP A 83 2.138 1.680 -1.050 1.00 0.53 H new ATOM 0 HE1 TRP A 83 3.131 3.691 -2.348 1.00 0.60 H new ATOM 0 HE3 TRP A 83 7.020 0.615 -0.197 1.00 0.51 H new ATOM 0 HZ2 TRP A 83 5.739 4.666 -2.909 1.00 0.69 H new ATOM 0 HZ3 TRP A 83 8.725 2.147 -1.159 1.00 0.61 H new ATOM 0 HH2 TRP A 83 8.151 4.113 -2.473 1.00 0.70 H new ATOM 1195 N ARG A 84 6.532 -0.663 2.080 1.00 0.62 N ATOM 1196 CA ARG A 84 7.944 -0.532 2.401 1.00 0.67 C ATOM 1197 C ARG A 84 8.769 -1.524 1.579 1.00 0.64 C ATOM 1198 O ARG A 84 8.619 -2.735 1.728 1.00 0.72 O ATOM 1199 CB ARG A 84 8.196 -0.779 3.889 1.00 0.81 C ATOM 1200 CG ARG A 84 8.338 0.543 4.648 1.00 0.93 C ATOM 1201 CD ARG A 84 7.420 0.573 5.871 1.00 1.18 C ATOM 1202 NE ARG A 84 7.705 1.774 6.687 1.00 1.48 N ATOM 1203 CZ ARG A 84 7.074 2.070 7.844 1.00 2.05 C ATOM 1204 NH1 ARG A 84 6.117 1.253 8.331 1.00 2.59 N ATOM 1205 NH2 ARG A 84 7.409 3.171 8.492 1.00 3.02 N ATOM 0 H ARG A 84 6.224 -1.618 1.895 1.00 0.62 H new ATOM 0 HA ARG A 84 8.246 0.487 2.158 1.00 0.67 H new ATOM 0 HB2 ARG A 84 7.374 -1.357 4.310 1.00 0.81 H new ATOM 0 HB3 ARG A 84 9.101 -1.374 4.015 1.00 0.81 H new ATOM 0 HG2 ARG A 84 9.373 0.677 4.962 1.00 0.93 H new ATOM 0 HG3 ARG A 84 8.096 1.374 3.986 1.00 0.93 H new ATOM 0 HD2 ARG A 84 6.377 0.578 5.554 1.00 1.18 H new ATOM 0 HD3 ARG A 84 7.567 -0.326 6.469 1.00 1.18 H new ATOM 0 HE ARG A 84 8.423 2.418 6.355 1.00 1.48 H new ATOM 0 HH11 ARG A 84 5.865 0.404 7.825 1.00 2.59 H new ATOM 0 HH12 ARG A 84 5.646 1.484 9.205 1.00 2.59 H new ATOM 0 HH21 ARG A 84 8.134 3.783 8.117 1.00 3.02 H new ATOM 0 HH22 ARG A 84 6.943 3.410 9.367 1.00 3.02 H new ATOM 1324 N ILE A 93 12.999 1.999 1.632 1.00 0.73 N ATOM 1325 CA ILE A 93 12.145 2.599 0.621 1.00 0.74 C ATOM 1326 C ILE A 93 10.705 2.640 1.135 1.00 0.68 C ATOM 1327 O ILE A 93 9.869 1.841 0.717 1.00 1.07 O ATOM 1328 CB ILE A 93 12.300 1.868 -0.714 1.00 0.97 C ATOM 1329 CG1 ILE A 93 13.763 1.852 -1.164 1.00 1.40 C ATOM 1330 CG2 ILE A 93 11.380 2.468 -1.778 1.00 1.55 C ATOM 1331 CD1 ILE A 93 14.280 0.417 -1.294 1.00 2.86 C ATOM 0 HA ILE A 93 12.446 3.629 0.431 1.00 0.74 H new ATOM 0 HB ILE A 93 11.995 0.831 -0.573 1.00 0.97 H new ATOM 0 HG12 ILE A 93 13.859 2.365 -2.121 1.00 1.40 H new ATOM 0 HG13 ILE A 93 14.374 2.399 -0.446 1.00 1.40 H new ATOM 0 HG21 ILE A 93 11.510 1.930 -2.717 1.00 1.55 H new ATOM 0 HG22 ILE A 93 10.343 2.384 -1.452 1.00 1.55 H new ATOM 0 HG23 ILE A 93 11.630 3.519 -1.924 1.00 1.55 H new ATOM 0 HD11 ILE A 93 15.322 0.433 -1.615 1.00 2.86 H new ATOM 0 HD12 ILE A 93 14.205 -0.085 -0.330 1.00 2.86 H new ATOM 0 HD13 ILE A 93 13.682 -0.120 -2.030 1.00 2.86 H new ATOM 1343 N THR A 94 10.459 3.580 2.036 1.00 0.66 N ATOM 1344 CA THR A 94 9.135 3.736 2.613 1.00 0.69 C ATOM 1345 C THR A 94 8.262 4.615 1.714 1.00 0.72 C ATOM 1346 O THR A 94 8.747 5.579 1.124 1.00 0.90 O ATOM 1347 CB THR A 94 9.298 4.290 4.030 1.00 0.81 C ATOM 1348 OG1 THR A 94 9.893 5.570 3.836 1.00 0.86 O ATOM 1349 CG2 THR A 94 10.336 3.516 4.845 1.00 0.87 C ATOM 0 H THR A 94 11.155 4.241 2.381 1.00 0.66 H new ATOM 0 HA THR A 94 8.618 2.779 2.681 1.00 0.69 H new ATOM 0 HB THR A 94 8.337 4.260 4.544 1.00 0.81 H new ATOM 0 HG1 THR A 94 10.033 6.001 4.705 1.00 0.86 H new ATOM 0 HG21 THR A 94 10.413 3.950 5.842 1.00 0.87 H new ATOM 0 HG22 THR A 94 10.031 2.473 4.926 1.00 0.87 H new ATOM 0 HG23 THR A 94 11.305 3.573 4.349 1.00 0.87 H new ATOM 1357 N GLY A 95 6.990 4.250 1.639 1.00 0.65 N ATOM 1358 CA GLY A 95 6.046 4.993 0.822 1.00 0.69 C ATOM 1359 C GLY A 95 4.606 4.581 1.137 1.00 0.62 C ATOM 1360 O GLY A 95 4.353 3.440 1.518 1.00 0.69 O ATOM 0 H GLY A 95 6.592 3.450 2.130 1.00 0.65 H new ATOM 0 HA2 GLY A 95 6.169 6.062 0.998 1.00 0.69 H new ATOM 0 HA3 GLY A 95 6.256 4.818 -0.233 1.00 0.69 H new ATOM 1364 N SER A 96 3.702 5.535 0.967 1.00 0.84 N ATOM 1365 CA SER A 96 2.295 5.285 1.228 1.00 0.85 C ATOM 1366 C SER A 96 1.441 5.880 0.107 1.00 0.80 C ATOM 1367 O SER A 96 1.841 6.850 -0.535 1.00 0.98 O ATOM 1368 CB SER A 96 1.875 5.866 2.580 1.00 1.24 C ATOM 1369 OG SER A 96 2.980 6.007 3.468 1.00 1.59 O ATOM 0 H SER A 96 3.917 6.481 0.652 1.00 0.84 H new ATOM 0 HA SER A 96 2.139 4.207 1.261 1.00 0.85 H new ATOM 0 HB2 SER A 96 1.407 6.838 2.427 1.00 1.24 H new ATOM 0 HB3 SER A 96 1.125 5.219 3.035 1.00 1.24 H new ATOM 0 HG SER A 96 2.670 6.382 4.319 1.00 1.59 H new ATOM 1375 N VAL A 97 0.280 5.274 -0.095 1.00 0.66 N ATOM 1376 CA VAL A 97 -0.634 5.731 -1.128 1.00 0.62 C ATOM 1377 C VAL A 97 -1.985 6.070 -0.494 1.00 0.64 C ATOM 1378 O VAL A 97 -2.693 5.182 -0.023 1.00 0.66 O ATOM 1379 CB VAL A 97 -0.740 4.681 -2.236 1.00 0.52 C ATOM 1380 CG1 VAL A 97 -1.496 5.235 -3.446 1.00 0.60 C ATOM 1381 CG2 VAL A 97 0.645 4.172 -2.642 1.00 0.55 C ATOM 0 H VAL A 97 -0.049 4.470 0.440 1.00 0.66 H new ATOM 0 HA VAL A 97 -0.257 6.640 -1.596 1.00 0.62 H new ATOM 0 HB VAL A 97 -1.307 3.836 -1.844 1.00 0.52 H new ATOM 0 HG11 VAL A 97 -1.557 4.469 -4.219 1.00 0.60 H new ATOM 0 HG12 VAL A 97 -2.502 5.527 -3.144 1.00 0.60 H new ATOM 0 HG13 VAL A 97 -0.968 6.104 -3.838 1.00 0.60 H new ATOM 0 HG21 VAL A 97 0.542 3.427 -3.431 1.00 0.55 H new ATOM 0 HG22 VAL A 97 1.246 5.005 -3.006 1.00 0.55 H new ATOM 0 HG23 VAL A 97 1.134 3.721 -1.779 1.00 0.55 H new ATOM 1391 N THR A 98 -2.302 7.356 -0.504 1.00 0.66 N ATOM 1392 CA THR A 98 -3.555 7.822 0.064 1.00 0.70 C ATOM 1393 C THR A 98 -4.655 7.821 -1.000 1.00 0.69 C ATOM 1394 O THR A 98 -4.428 8.238 -2.133 1.00 0.72 O ATOM 1395 CB THR A 98 -3.310 9.200 0.683 1.00 0.77 C ATOM 1396 OG1 THR A 98 -4.496 9.461 1.429 1.00 0.74 O ATOM 1397 CG2 THR A 98 -3.276 10.314 -0.365 1.00 0.81 C ATOM 0 H THR A 98 -1.713 8.090 -0.897 1.00 0.66 H new ATOM 0 HA THR A 98 -3.906 7.154 0.851 1.00 0.70 H new ATOM 0 HB THR A 98 -2.369 9.189 1.232 1.00 0.77 H new ATOM 0 HG1 THR A 98 -4.422 10.335 1.866 1.00 0.74 H new ATOM 0 HG21 THR A 98 -3.099 11.271 0.127 1.00 0.81 H new ATOM 0 HG22 THR A 98 -2.475 10.119 -1.078 1.00 0.81 H new ATOM 0 HG23 THR A 98 -4.230 10.347 -0.892 1.00 0.81 H new ATOM 1405 N PHE A 99 -5.825 7.347 -0.595 1.00 0.67 N ATOM 1406 CA PHE A 99 -6.960 7.285 -1.498 1.00 0.67 C ATOM 1407 C PHE A 99 -8.275 7.489 -0.742 1.00 0.69 C ATOM 1408 O PHE A 99 -8.355 7.218 0.456 1.00 0.70 O ATOM 1409 CB PHE A 99 -6.959 5.889 -2.125 1.00 0.61 C ATOM 1410 CG PHE A 99 -7.365 4.773 -1.161 1.00 0.57 C ATOM 1411 CD1 PHE A 99 -8.653 4.678 -0.737 1.00 1.80 C ATOM 1412 CD2 PHE A 99 -6.439 3.878 -0.729 1.00 1.71 C ATOM 1413 CE1 PHE A 99 -9.032 3.642 0.158 1.00 1.79 C ATOM 1414 CE2 PHE A 99 -6.817 2.841 0.167 1.00 1.71 C ATOM 1415 CZ PHE A 99 -8.105 2.746 0.591 1.00 0.53 C ATOM 0 H PHE A 99 -6.010 7.002 0.347 1.00 0.67 H new ATOM 0 HA PHE A 99 -6.878 8.069 -2.250 1.00 0.67 H new ATOM 0 HB2 PHE A 99 -7.639 5.884 -2.977 1.00 0.61 H new ATOM 0 HB3 PHE A 99 -5.962 5.676 -2.511 1.00 0.61 H new ATOM 0 HD1 PHE A 99 -9.388 5.390 -1.081 1.00 1.80 H new ATOM 0 HD2 PHE A 99 -5.416 3.954 -1.066 1.00 1.71 H new ATOM 0 HE1 PHE A 99 -10.055 3.566 0.494 1.00 1.79 H new ATOM 0 HE2 PHE A 99 -6.081 2.129 0.511 1.00 1.71 H new ATOM 0 HZ PHE A 99 -8.392 1.959 1.272 1.00 0.53 H new ATOM 1425 N LYS A 100 -9.273 7.966 -1.471 1.00 0.72 N ATOM 1426 CA LYS A 100 -10.580 8.210 -0.883 1.00 0.74 C ATOM 1427 C LYS A 100 -11.554 7.126 -1.351 1.00 0.73 C ATOM 1428 O LYS A 100 -11.265 6.392 -2.294 1.00 0.74 O ATOM 1429 CB LYS A 100 -11.047 9.633 -1.190 1.00 0.81 C ATOM 1430 CG LYS A 100 -10.242 10.659 -0.390 1.00 0.89 C ATOM 1431 CD LYS A 100 -11.168 11.619 0.360 1.00 1.92 C ATOM 1432 CE LYS A 100 -10.388 12.448 1.383 1.00 2.58 C ATOM 1433 NZ LYS A 100 -11.227 12.728 2.570 1.00 3.95 N ATOM 0 H LYS A 100 -9.203 8.190 -2.464 1.00 0.72 H new ATOM 0 HA LYS A 100 -10.529 8.145 0.204 1.00 0.74 H new ATOM 0 HB2 LYS A 100 -10.940 9.833 -2.256 1.00 0.81 H new ATOM 0 HB3 LYS A 100 -12.106 9.731 -0.952 1.00 0.81 H new ATOM 0 HG2 LYS A 100 -9.594 10.145 0.320 1.00 0.89 H new ATOM 0 HG3 LYS A 100 -9.595 11.223 -1.062 1.00 0.89 H new ATOM 0 HD2 LYS A 100 -11.662 12.282 -0.350 1.00 1.92 H new ATOM 0 HD3 LYS A 100 -11.951 11.054 0.866 1.00 1.92 H new ATOM 0 HE2 LYS A 100 -9.488 11.912 1.684 1.00 2.58 H new ATOM 0 HE3 LYS A 100 -10.064 13.385 0.930 1.00 2.58 H new ATOM 0 HZ1 LYS A 100 -10.683 13.291 3.254 1.00 3.95 H new ATOM 0 HZ2 LYS A 100 -12.073 13.258 2.280 1.00 3.95 H new ATOM 0 HZ3 LYS A 100 -11.515 11.831 3.011 1.00 3.95 H new ATOM 1447 N VAL A 101 -12.689 7.063 -0.670 1.00 0.72 N ATOM 1448 CA VAL A 101 -13.708 6.083 -1.005 1.00 0.72 C ATOM 1449 C VAL A 101 -15.090 6.669 -0.709 1.00 0.85 C ATOM 1450 O VAL A 101 -15.432 6.910 0.448 1.00 0.94 O ATOM 1451 CB VAL A 101 -13.441 4.775 -0.257 1.00 0.61 C ATOM 1452 CG1 VAL A 101 -14.616 3.806 -0.411 1.00 0.73 C ATOM 1453 CG2 VAL A 101 -12.134 4.132 -0.727 1.00 0.47 C ATOM 0 H VAL A 101 -12.925 7.674 0.112 1.00 0.72 H new ATOM 0 HA VAL A 101 -13.676 5.847 -2.069 1.00 0.72 H new ATOM 0 HB VAL A 101 -13.337 5.009 0.802 1.00 0.61 H new ATOM 0 HG11 VAL A 101 -14.401 2.884 0.130 1.00 0.73 H new ATOM 0 HG12 VAL A 101 -15.519 4.262 -0.006 1.00 0.73 H new ATOM 0 HG13 VAL A 101 -14.766 3.580 -1.467 1.00 0.73 H new ATOM 0 HG21 VAL A 101 -11.968 3.204 -0.180 1.00 0.47 H new ATOM 0 HG22 VAL A 101 -12.197 3.918 -1.794 1.00 0.47 H new ATOM 0 HG23 VAL A 101 -11.305 4.816 -0.542 1.00 0.47 H new ATOM 1463 N LYS A 102 -15.847 6.883 -1.776 1.00 0.92 N ATOM 1464 CA LYS A 102 -17.184 7.436 -1.645 1.00 1.06 C ATOM 1465 C LYS A 102 -18.211 6.306 -1.745 1.00 1.17 C ATOM 1466 O LYS A 102 -19.402 6.525 -1.532 1.00 1.40 O ATOM 1467 CB LYS A 102 -17.402 8.557 -2.663 1.00 1.11 C ATOM 1468 CG LYS A 102 -16.298 9.612 -2.562 1.00 1.02 C ATOM 1469 CD LYS A 102 -16.793 10.854 -1.817 1.00 1.35 C ATOM 1470 CE LYS A 102 -17.408 11.865 -2.785 1.00 1.85 C ATOM 1471 NZ LYS A 102 -18.879 11.912 -2.620 1.00 3.01 N ATOM 1472 OXT LYS A 102 -17.846 5.133 -1.781 1.00 1.10 O ATOM 0 H LYS A 102 -15.560 6.683 -2.734 1.00 0.92 H new ATOM 0 HA LYS A 102 -17.311 7.897 -0.666 1.00 1.06 H new ATOM 0 HB2 LYS A 102 -17.420 8.140 -3.670 1.00 1.11 H new ATOM 0 HB3 LYS A 102 -18.372 9.024 -2.493 1.00 1.11 H new ATOM 0 HG2 LYS A 102 -15.435 9.193 -2.044 1.00 1.02 H new ATOM 0 HG3 LYS A 102 -15.965 9.892 -3.561 1.00 1.02 H new ATOM 0 HD2 LYS A 102 -17.532 10.564 -1.070 1.00 1.35 H new ATOM 0 HD3 LYS A 102 -15.964 11.316 -1.282 1.00 1.35 H new ATOM 0 HE2 LYS A 102 -16.984 12.853 -2.606 1.00 1.85 H new ATOM 0 HE3 LYS A 102 -17.160 11.593 -3.811 1.00 1.85 H new ATOM 0 HZ1 LYS A 102 -19.281 12.603 -3.285 1.00 3.01 H new ATOM 0 HZ2 LYS A 102 -19.280 10.972 -2.813 1.00 3.01 H new ATOM 0 HZ3 LYS A 102 -19.110 12.193 -1.646 1.00 3.01 H new