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 75 THR OG1 : rot -17:sc= 0.535 USER MOD Set 1.2: A 79 TYR OH : rot 1:sc= 2.25 USER MOD Set 2.1: A 24 HIS :FLIP no HE2:sc= -0.84 F(o=-4,f=-0.71) USER MOD Set 2.2: A 65 THR OG1 : rot -129:sc= 0.126 USER MOD Single : A 6 SER OG : rot 180:sc= -0.849 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.122 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 -171:sc= 0 (180deg=-0.146) USER MOD Single : A 41 THR OG1 : rot -69:sc= 0.827 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 149:sc= -1.04 (180deg=-1.7) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.183 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.57 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0776 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 18:sc= 0.535 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 9.120 4.071 -5.843 1.00 1.26 N ATOM 57 CA LEU A 4 9.451 2.723 -6.269 1.00 0.88 C ATOM 58 C LEU A 4 9.380 2.642 -7.795 1.00 0.62 C ATOM 59 O LEU A 4 8.961 3.595 -8.450 1.00 0.67 O ATOM 60 CB LEU A 4 8.561 1.702 -5.556 1.00 0.90 C ATOM 61 CG LEU A 4 7.134 1.568 -6.090 1.00 0.57 C ATOM 62 CD1 LEU A 4 6.578 2.928 -6.515 1.00 0.68 C ATOM 63 CD2 LEU A 4 7.067 0.542 -7.224 1.00 0.57 C ATOM 0 HA LEU A 4 10.473 2.474 -5.984 1.00 0.88 H new ATOM 0 HB2 LEU A 4 9.043 0.726 -5.615 1.00 0.90 H new ATOM 0 HB3 LEU A 4 8.509 1.969 -4.501 1.00 0.90 H new ATOM 0 HG LEU A 4 6.501 1.199 -5.283 1.00 0.57 H new ATOM 0 HD11 LEU A 4 5.562 2.805 -6.891 1.00 0.68 H new ATOM 0 HD12 LEU A 4 6.568 3.601 -5.658 1.00 0.68 H new ATOM 0 HD13 LEU A 4 7.207 3.349 -7.300 1.00 0.68 H new ATOM 0 HD21 LEU A 4 6.042 0.466 -7.586 1.00 0.57 H new ATOM 0 HD22 LEU A 4 7.717 0.858 -8.040 1.00 0.57 H new ATOM 0 HD23 LEU A 4 7.395 -0.430 -6.855 1.00 0.57 H new ATOM 75 N VAL A 5 9.793 1.496 -8.316 1.00 0.57 N ATOM 76 CA VAL A 5 9.781 1.279 -9.752 1.00 0.55 C ATOM 77 C VAL A 5 8.399 1.637 -10.306 1.00 0.53 C ATOM 78 O VAL A 5 8.211 2.716 -10.865 1.00 0.66 O ATOM 79 CB VAL A 5 10.197 -0.159 -10.068 1.00 0.73 C ATOM 80 CG1 VAL A 5 10.220 -0.404 -11.579 1.00 0.98 C ATOM 81 CG2 VAL A 5 11.550 -0.489 -9.437 1.00 0.96 C ATOM 0 H VAL A 5 10.138 0.708 -7.769 1.00 0.57 H new ATOM 0 HA VAL A 5 10.507 1.928 -10.242 1.00 0.55 H new ATOM 0 HB VAL A 5 9.454 -0.827 -9.633 1.00 0.73 H new ATOM 0 HG11 VAL A 5 10.519 -1.434 -11.776 1.00 0.98 H new ATOM 0 HG12 VAL A 5 9.226 -0.229 -11.991 1.00 0.98 H new ATOM 0 HG13 VAL A 5 10.931 0.276 -12.047 1.00 0.98 H new ATOM 0 HG21 VAL A 5 11.822 -1.517 -9.677 1.00 0.96 H new ATOM 0 HG22 VAL A 5 12.309 0.188 -9.829 1.00 0.96 H new ATOM 0 HG23 VAL A 5 11.485 -0.374 -8.355 1.00 0.96 H new ATOM 91 N SER A 6 7.469 0.710 -10.130 1.00 0.51 N ATOM 92 CA SER A 6 6.111 0.915 -10.606 1.00 0.51 C ATOM 93 C SER A 6 5.129 0.120 -9.742 1.00 0.47 C ATOM 94 O SER A 6 5.452 -0.969 -9.270 1.00 0.48 O ATOM 95 CB SER A 6 5.975 0.510 -12.074 1.00 0.65 C ATOM 96 OG SER A 6 7.222 0.564 -12.761 1.00 0.91 O ATOM 0 H SER A 6 7.628 -0.184 -9.665 1.00 0.51 H new ATOM 0 HA SER A 6 5.877 1.977 -10.528 1.00 0.51 H new ATOM 0 HB2 SER A 6 5.571 -0.501 -12.135 1.00 0.65 H new ATOM 0 HB3 SER A 6 5.261 1.169 -12.567 1.00 0.65 H new ATOM 0 HG SER A 6 7.093 0.297 -13.695 1.00 0.91 H new ATOM 102 N SER A 7 3.949 0.695 -9.560 1.00 0.43 N ATOM 103 CA SER A 7 2.918 0.054 -8.763 1.00 0.40 C ATOM 104 C SER A 7 1.540 0.577 -9.171 1.00 0.39 C ATOM 105 O SER A 7 1.435 1.588 -9.863 1.00 0.42 O ATOM 106 CB SER A 7 3.154 0.288 -7.269 1.00 0.37 C ATOM 107 OG SER A 7 3.181 1.676 -6.944 1.00 0.35 O ATOM 0 H SER A 7 3.684 1.599 -9.952 1.00 0.43 H new ATOM 0 HA SER A 7 2.960 -1.020 -8.947 1.00 0.40 H new ATOM 0 HB2 SER A 7 2.367 -0.203 -6.696 1.00 0.37 H new ATOM 0 HB3 SER A 7 4.097 -0.172 -6.974 1.00 0.37 H new ATOM 0 HG SER A 7 3.332 1.784 -5.982 1.00 0.35 H new ATOM 113 N THR A 8 0.516 -0.138 -8.726 1.00 0.39 N ATOM 114 CA THR A 8 -0.852 0.241 -9.037 1.00 0.39 C ATOM 115 C THR A 8 -1.758 0.009 -7.826 1.00 0.38 C ATOM 116 O THR A 8 -2.723 -0.748 -7.904 1.00 0.41 O ATOM 117 CB THR A 8 -1.287 -0.539 -10.279 1.00 0.44 C ATOM 118 OG1 THR A 8 -0.446 -0.041 -11.315 1.00 0.53 O ATOM 119 CG2 THR A 8 -2.700 -0.170 -10.737 1.00 0.58 C ATOM 0 H THR A 8 0.607 -0.977 -8.153 1.00 0.39 H new ATOM 0 HA THR A 8 -0.927 1.305 -9.260 1.00 0.39 H new ATOM 0 HB THR A 8 -1.240 -1.608 -10.070 1.00 0.44 H new ATOM 0 HG1 THR A 8 -0.660 -0.495 -12.157 1.00 0.53 H new ATOM 0 HG21 THR A 8 -2.959 -0.752 -11.621 1.00 0.58 H new ATOM 0 HG22 THR A 8 -3.410 -0.387 -9.939 1.00 0.58 H new ATOM 0 HG23 THR A 8 -2.739 0.892 -10.977 1.00 0.58 H new ATOM 127 N PRO A 9 -1.403 0.693 -6.704 1.00 0.36 N ATOM 128 CA PRO A 9 -2.173 0.569 -5.479 1.00 0.36 C ATOM 129 C PRO A 9 -3.488 1.344 -5.577 1.00 0.38 C ATOM 130 O PRO A 9 -4.559 0.746 -5.679 1.00 0.46 O ATOM 131 CB PRO A 9 -1.257 1.092 -4.384 1.00 0.35 C ATOM 132 CG PRO A 9 -0.192 1.917 -5.090 1.00 0.34 C ATOM 133 CD PRO A 9 -0.265 1.598 -6.575 1.00 0.34 C ATOM 0 HA PRO A 9 -2.473 -0.459 -5.273 1.00 0.36 H new ATOM 0 HB2 PRO A 9 -1.811 1.700 -3.668 1.00 0.35 H new ATOM 0 HB3 PRO A 9 -0.808 0.271 -3.825 1.00 0.35 H new ATOM 0 HG2 PRO A 9 -0.357 2.981 -4.919 1.00 0.34 H new ATOM 0 HG3 PRO A 9 0.797 1.681 -4.697 1.00 0.34 H new ATOM 0 HD2 PRO A 9 -0.408 2.502 -7.168 1.00 0.34 H new ATOM 0 HD3 PRO A 9 0.655 1.130 -6.925 1.00 0.34 H new ATOM 141 N ALA A 10 -3.366 2.662 -5.543 1.00 0.40 N ATOM 142 CA ALA A 10 -4.532 3.525 -5.627 1.00 0.43 C ATOM 143 C ALA A 10 -4.083 4.987 -5.611 1.00 0.39 C ATOM 144 O ALA A 10 -4.677 5.816 -4.923 1.00 0.38 O ATOM 145 CB ALA A 10 -5.493 3.198 -4.482 1.00 0.45 C ATOM 0 H ALA A 10 -2.477 3.154 -5.458 1.00 0.40 H new ATOM 0 HA ALA A 10 -5.067 3.355 -6.561 1.00 0.43 H new ATOM 0 HB1 ALA A 10 -6.368 3.845 -4.545 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -5.806 2.157 -4.556 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -4.991 3.359 -3.528 1.00 0.45 H new ATOM 151 N GLU A 11 -3.037 5.259 -6.377 1.00 0.42 N ATOM 152 CA GLU A 11 -2.501 6.607 -6.460 1.00 0.45 C ATOM 153 C GLU A 11 -3.637 7.632 -6.450 1.00 0.48 C ATOM 154 O GLU A 11 -4.358 7.777 -7.436 1.00 0.55 O ATOM 155 CB GLU A 11 -1.625 6.773 -7.704 1.00 0.55 C ATOM 156 CG GLU A 11 -0.177 7.079 -7.317 1.00 0.56 C ATOM 157 CD GLU A 11 0.521 7.898 -8.405 1.00 1.56 C ATOM 158 OE1 GLU A 11 -0.149 8.602 -9.176 1.00 2.77 O ATOM 159 OE2 GLU A 11 1.806 7.788 -8.432 1.00 1.98 O ATOM 0 H GLU A 11 -2.546 4.569 -6.946 1.00 0.42 H new ATOM 0 HA GLU A 11 -1.873 6.781 -5.587 1.00 0.45 H new ATOM 0 HB2 GLU A 11 -1.661 5.863 -8.303 1.00 0.55 H new ATOM 0 HB3 GLU A 11 -2.017 7.578 -8.325 1.00 0.55 H new ATOM 0 HG2 GLU A 11 -0.157 7.627 -6.375 1.00 0.56 H new ATOM 0 HG3 GLU A 11 0.364 6.147 -7.155 1.00 0.56 H new ATOM 166 N GLY A 12 -3.761 8.318 -5.323 1.00 0.46 N ATOM 167 CA GLY A 12 -4.797 9.325 -5.171 1.00 0.50 C ATOM 168 C GLY A 12 -6.100 8.877 -5.836 1.00 0.57 C ATOM 169 O GLY A 12 -6.807 9.688 -6.433 1.00 0.71 O ATOM 0 H GLY A 12 -3.161 8.196 -4.507 1.00 0.46 H new ATOM 0 HA2 GLY A 12 -4.972 9.515 -4.112 1.00 0.50 H new ATOM 0 HA3 GLY A 12 -4.464 10.264 -5.612 1.00 0.50 H new ATOM 173 N SER A 13 -6.378 7.589 -5.712 1.00 0.56 N ATOM 174 CA SER A 13 -7.583 7.023 -6.295 1.00 0.64 C ATOM 175 C SER A 13 -8.814 7.514 -5.532 1.00 0.51 C ATOM 176 O SER A 13 -9.184 6.941 -4.509 1.00 0.50 O ATOM 177 CB SER A 13 -7.532 5.494 -6.290 1.00 0.85 C ATOM 178 OG SER A 13 -7.539 4.956 -7.610 1.00 1.25 O ATOM 0 H SER A 13 -5.789 6.920 -5.216 1.00 0.56 H new ATOM 0 HA SER A 13 -7.649 7.354 -7.331 1.00 0.64 H new ATOM 0 HB2 SER A 13 -6.634 5.163 -5.768 1.00 0.85 H new ATOM 0 HB3 SER A 13 -8.385 5.104 -5.735 1.00 0.85 H new ATOM 0 HG SER A 13 -7.504 3.978 -7.565 1.00 1.25 H new ATOM 184 N GLU A 14 -9.413 8.573 -6.058 1.00 0.54 N ATOM 185 CA GLU A 14 -10.596 9.148 -5.439 1.00 0.61 C ATOM 186 C GLU A 14 -11.847 8.780 -6.238 1.00 0.70 C ATOM 187 O GLU A 14 -11.899 8.989 -7.450 1.00 0.78 O ATOM 188 CB GLU A 14 -10.459 10.666 -5.302 1.00 0.82 C ATOM 189 CG GLU A 14 -9.114 11.041 -4.678 1.00 0.89 C ATOM 190 CD GLU A 14 -8.698 12.457 -5.082 1.00 1.19 C ATOM 191 OE1 GLU A 14 -9.511 13.390 -4.999 1.00 1.33 O ATOM 192 OE2 GLU A 14 -7.481 12.571 -5.494 1.00 2.01 O ATOM 0 H GLU A 14 -9.101 9.048 -6.905 1.00 0.54 H new ATOM 0 HA GLU A 14 -10.696 8.733 -4.436 1.00 0.61 H new ATOM 0 HB2 GLU A 14 -10.552 11.133 -6.283 1.00 0.82 H new ATOM 0 HB3 GLU A 14 -11.270 11.054 -4.686 1.00 0.82 H new ATOM 0 HG2 GLU A 14 -9.181 10.974 -3.592 1.00 0.89 H new ATOM 0 HG3 GLU A 14 -8.351 10.330 -4.995 1.00 0.89 H new ATOM 199 N GLY A 15 -12.825 8.238 -5.529 1.00 0.77 N ATOM 200 CA GLY A 15 -14.073 7.837 -6.157 1.00 0.98 C ATOM 201 C GLY A 15 -14.638 6.577 -5.501 1.00 0.68 C ATOM 202 O GLY A 15 -15.819 6.526 -5.161 1.00 0.59 O ATOM 0 H GLY A 15 -12.779 8.067 -4.525 1.00 0.77 H new ATOM 0 HA2 GLY A 15 -14.799 8.647 -6.081 1.00 0.98 H new ATOM 0 HA3 GLY A 15 -13.908 7.655 -7.219 1.00 0.98 H new ATOM 206 N ALA A 16 -13.769 5.590 -5.341 1.00 0.80 N ATOM 207 CA ALA A 16 -14.167 4.333 -4.731 1.00 0.79 C ATOM 208 C ALA A 16 -12.918 3.506 -4.416 1.00 1.16 C ATOM 209 O ALA A 16 -11.822 3.836 -4.865 1.00 1.82 O ATOM 210 CB ALA A 16 -15.135 3.598 -5.660 1.00 0.98 C ATOM 0 H ALA A 16 -12.790 5.635 -5.624 1.00 0.80 H new ATOM 0 HA ALA A 16 -14.690 4.511 -3.791 1.00 0.79 H new ATOM 0 HB1 ALA A 16 -15.433 2.655 -5.202 1.00 0.98 H new ATOM 0 HB2 ALA A 16 -16.018 4.215 -5.828 1.00 0.98 H new ATOM 0 HB3 ALA A 16 -14.645 3.399 -6.613 1.00 0.98 H new ATOM 216 N ALA A 17 -13.127 2.447 -3.648 1.00 0.85 N ATOM 217 CA ALA A 17 -12.033 1.570 -3.269 1.00 1.14 C ATOM 218 C ALA A 17 -11.730 0.611 -4.422 1.00 0.96 C ATOM 219 O ALA A 17 -12.645 0.077 -5.046 1.00 0.89 O ATOM 220 CB ALA A 17 -12.392 0.834 -1.977 1.00 1.46 C ATOM 0 H ALA A 17 -14.038 2.177 -3.278 1.00 0.85 H new ATOM 0 HA ALA A 17 -11.129 2.147 -3.075 1.00 1.14 H new ATOM 0 HB1 ALA A 17 -11.571 0.176 -1.693 1.00 1.46 H new ATOM 0 HB2 ALA A 17 -12.568 1.559 -1.182 1.00 1.46 H new ATOM 0 HB3 ALA A 17 -13.294 0.242 -2.134 1.00 1.46 H new ATOM 226 N PRO A 18 -10.407 0.417 -4.676 1.00 0.95 N ATOM 227 CA PRO A 18 -9.973 -0.468 -5.743 1.00 0.85 C ATOM 228 C PRO A 18 -10.147 -1.935 -5.344 1.00 0.75 C ATOM 229 O PRO A 18 -10.426 -2.238 -4.184 1.00 1.12 O ATOM 230 CB PRO A 18 -8.523 -0.091 -6.001 1.00 0.96 C ATOM 231 CG PRO A 18 -8.062 0.664 -4.765 1.00 1.10 C ATOM 232 CD PRO A 18 -9.296 1.033 -3.958 1.00 1.10 C ATOM 0 HA PRO A 18 -10.568 -0.357 -6.650 1.00 0.85 H new ATOM 0 HB2 PRO A 18 -7.912 -0.979 -6.167 1.00 0.96 H new ATOM 0 HB3 PRO A 18 -8.433 0.529 -6.893 1.00 0.96 H new ATOM 0 HG2 PRO A 18 -7.387 0.048 -4.171 1.00 1.10 H new ATOM 0 HG3 PRO A 18 -7.509 1.560 -5.049 1.00 1.10 H new ATOM 0 HD2 PRO A 18 -9.228 0.658 -2.937 1.00 1.10 H new ATOM 0 HD3 PRO A 18 -9.418 2.114 -3.893 1.00 1.10 H new ATOM 240 N ALA A 19 -9.973 -2.807 -6.326 1.00 0.64 N ATOM 241 CA ALA A 19 -10.108 -4.235 -6.091 1.00 0.63 C ATOM 242 C ALA A 19 -8.931 -4.720 -5.242 1.00 0.53 C ATOM 243 O ALA A 19 -9.129 -5.320 -4.186 1.00 0.53 O ATOM 244 CB ALA A 19 -10.199 -4.966 -7.432 1.00 0.76 C ATOM 0 H ALA A 19 -9.740 -2.553 -7.286 1.00 0.64 H new ATOM 0 HA ALA A 19 -11.024 -4.449 -5.540 1.00 0.63 H new ATOM 0 HB1 ALA A 19 -10.300 -6.037 -7.256 1.00 0.76 H new ATOM 0 HB2 ALA A 19 -11.066 -4.605 -7.985 1.00 0.76 H new ATOM 0 HB3 ALA A 19 -9.295 -4.777 -8.011 1.00 0.76 H new ATOM 250 N LYS A 20 -7.734 -4.442 -5.733 1.00 0.49 N ATOM 251 CA LYS A 20 -6.525 -4.843 -5.032 1.00 0.44 C ATOM 252 C LYS A 20 -5.380 -3.905 -5.420 1.00 0.42 C ATOM 253 O LYS A 20 -5.379 -3.339 -6.511 1.00 0.52 O ATOM 254 CB LYS A 20 -6.223 -6.321 -5.287 1.00 0.48 C ATOM 255 CG LYS A 20 -5.911 -6.569 -6.764 1.00 0.59 C ATOM 256 CD LYS A 20 -6.563 -7.865 -7.252 1.00 1.31 C ATOM 257 CE LYS A 20 -5.589 -8.680 -8.106 1.00 2.06 C ATOM 258 NZ LYS A 20 -5.591 -10.099 -7.683 1.00 3.26 N ATOM 0 H LYS A 20 -7.574 -3.944 -6.608 1.00 0.49 H new ATOM 0 HA LYS A 20 -6.661 -4.751 -3.954 1.00 0.44 H new ATOM 0 HB2 LYS A 20 -5.377 -6.634 -4.675 1.00 0.48 H new ATOM 0 HB3 LYS A 20 -7.077 -6.928 -4.985 1.00 0.48 H new ATOM 0 HG2 LYS A 20 -6.269 -5.730 -7.361 1.00 0.59 H new ATOM 0 HG3 LYS A 20 -4.832 -6.624 -6.907 1.00 0.59 H new ATOM 0 HD2 LYS A 20 -6.887 -8.458 -6.397 1.00 1.31 H new ATOM 0 HD3 LYS A 20 -7.455 -7.631 -7.834 1.00 1.31 H new ATOM 0 HE2 LYS A 20 -5.869 -8.607 -9.157 1.00 2.06 H new ATOM 0 HE3 LYS A 20 -4.584 -8.269 -8.015 1.00 2.06 H new ATOM 0 HZ1 LYS A 20 -4.925 -10.638 -8.272 1.00 3.26 H new ATOM 0 HZ2 LYS A 20 -5.302 -10.164 -6.686 1.00 3.26 H new ATOM 0 HZ3 LYS A 20 -6.547 -10.493 -7.793 1.00 3.26 H new ATOM 272 N ILE A 21 -4.433 -3.770 -4.504 1.00 0.36 N ATOM 273 CA ILE A 21 -3.285 -2.910 -4.736 1.00 0.37 C ATOM 274 C ILE A 21 -2.190 -3.709 -5.445 1.00 0.40 C ATOM 275 O ILE A 21 -1.961 -4.873 -5.125 1.00 0.40 O ATOM 276 CB ILE A 21 -2.824 -2.265 -3.427 1.00 0.37 C ATOM 277 CG1 ILE A 21 -3.594 -0.970 -3.154 1.00 0.38 C ATOM 278 CG2 ILE A 21 -1.311 -2.043 -3.426 1.00 0.39 C ATOM 279 CD1 ILE A 21 -4.470 -1.106 -1.907 1.00 0.43 C ATOM 0 H ILE A 21 -4.437 -4.242 -3.600 1.00 0.36 H new ATOM 0 HA ILE A 21 -3.556 -2.084 -5.394 1.00 0.37 H new ATOM 0 HB ILE A 21 -3.048 -2.952 -2.611 1.00 0.37 H new ATOM 0 HG12 ILE A 21 -2.892 -0.146 -3.022 1.00 0.38 H new ATOM 0 HG13 ILE A 21 -4.216 -0.724 -4.015 1.00 0.38 H new ATOM 0 HG21 ILE A 21 -1.011 -1.584 -2.484 1.00 0.39 H new ATOM 0 HG22 ILE A 21 -0.803 -3.000 -3.541 1.00 0.39 H new ATOM 0 HG23 ILE A 21 -1.039 -1.387 -4.253 1.00 0.39 H new ATOM 0 HD11 ILE A 21 -5.006 -0.173 -1.735 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -5.186 -1.915 -2.052 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -3.842 -1.328 -1.044 1.00 0.43 H new ATOM 291 N GLU A 22 -1.544 -3.051 -6.397 1.00 0.44 N ATOM 292 CA GLU A 22 -0.479 -3.685 -7.154 1.00 0.48 C ATOM 293 C GLU A 22 0.850 -2.967 -6.907 1.00 0.44 C ATOM 294 O GLU A 22 0.871 -1.763 -6.657 1.00 0.38 O ATOM 295 CB GLU A 22 -0.813 -3.721 -8.647 1.00 0.54 C ATOM 296 CG GLU A 22 -0.714 -5.144 -9.198 1.00 0.66 C ATOM 297 CD GLU A 22 -0.753 -5.144 -10.728 1.00 0.85 C ATOM 298 OE1 GLU A 22 0.218 -4.721 -11.373 1.00 1.72 O ATOM 299 OE2 GLU A 22 -1.841 -5.605 -11.245 1.00 1.69 O ATOM 0 H GLU A 22 -1.738 -2.085 -6.661 1.00 0.44 H new ATOM 0 HA GLU A 22 -0.382 -4.715 -6.812 1.00 0.48 H new ATOM 0 HB2 GLU A 22 -1.820 -3.335 -8.807 1.00 0.54 H new ATOM 0 HB3 GLU A 22 -0.131 -3.068 -9.192 1.00 0.54 H new ATOM 0 HG2 GLU A 22 0.211 -5.607 -8.854 1.00 0.66 H new ATOM 0 HG3 GLU A 22 -1.536 -5.746 -8.810 1.00 0.66 H new ATOM 306 N LEU A 23 1.925 -3.737 -6.985 1.00 0.49 N ATOM 307 CA LEU A 23 3.254 -3.188 -6.772 1.00 0.48 C ATOM 308 C LEU A 23 4.260 -3.951 -7.637 1.00 0.55 C ATOM 309 O LEU A 23 4.092 -5.144 -7.884 1.00 0.56 O ATOM 310 CB LEU A 23 3.601 -3.187 -5.283 1.00 0.49 C ATOM 311 CG LEU A 23 2.650 -2.406 -4.373 1.00 0.46 C ATOM 312 CD1 LEU A 23 2.665 -2.969 -2.951 1.00 0.49 C ATOM 313 CD2 LEU A 23 2.971 -0.910 -4.401 1.00 0.48 C ATOM 0 H LEU A 23 1.903 -4.735 -7.192 1.00 0.49 H new ATOM 0 HA LEU A 23 3.290 -2.144 -7.085 1.00 0.48 H new ATOM 0 HB2 LEU A 23 3.636 -4.220 -4.938 1.00 0.49 H new ATOM 0 HB3 LEU A 23 4.604 -2.777 -5.164 1.00 0.49 H new ATOM 0 HG LEU A 23 1.636 -2.526 -4.755 1.00 0.46 H new ATOM 0 HD11 LEU A 23 1.981 -2.396 -2.325 1.00 0.49 H new ATOM 0 HD12 LEU A 23 2.352 -4.013 -2.970 1.00 0.49 H new ATOM 0 HD13 LEU A 23 3.673 -2.900 -2.543 1.00 0.49 H new ATOM 0 HD21 LEU A 23 2.281 -0.378 -3.746 1.00 0.48 H new ATOM 0 HD22 LEU A 23 3.993 -0.751 -4.058 1.00 0.48 H new ATOM 0 HD23 LEU A 23 2.868 -0.535 -5.419 1.00 0.48 H new ATOM 325 N HIS A 24 5.283 -3.231 -8.074 1.00 0.60 N ATOM 326 CA HIS A 24 6.315 -3.826 -8.906 1.00 0.68 C ATOM 327 C HIS A 24 7.669 -3.194 -8.572 1.00 0.63 C ATOM 328 O HIS A 24 7.740 -2.017 -8.225 1.00 0.52 O ATOM 329 CB HIS A 24 5.954 -3.706 -10.388 1.00 0.70 C ATOM 330 CG HIS A 24 4.888 -4.674 -10.840 1.00 0.82 C ATOM 331 ND1 HIS A 24 3.527 -4.591 -10.784 1.00 0.83 N flip ATOM 332 CD2 HIS A 24 5.182 -5.893 -11.425 1.00 0.98 C flip ATOM 333 CE1 HIS A 24 3.017 -5.699 -11.310 1.00 0.95 C flip ATOM 334 NE2 HIS A 24 4.042 -6.508 -11.708 1.00 1.05 N flip ATOM 0 H HIS A 24 5.419 -2.241 -7.868 1.00 0.60 H new ATOM 0 HA HIS A 24 6.388 -4.893 -8.695 1.00 0.68 H new ATOM 0 HB2 HIS A 24 5.616 -2.689 -10.588 1.00 0.70 H new ATOM 0 HB3 HIS A 24 6.852 -3.866 -10.984 1.00 0.70 H new ATOM 0 HD1 HIS A 24 2.992 -3.811 -10.403 1.00 0.83 H new ATOM 0 HD2 HIS A 24 6.172 -6.278 -11.618 1.00 0.98 H new ATOM 0 HE1 HIS A 24 1.965 -5.923 -11.407 1.00 0.95 H new ATOM 342 N PHE A 25 8.709 -4.006 -8.690 1.00 0.83 N ATOM 343 CA PHE A 25 10.056 -3.543 -8.406 1.00 0.84 C ATOM 344 C PHE A 25 11.089 -4.325 -9.220 1.00 1.01 C ATOM 345 O PHE A 25 11.453 -5.443 -8.857 1.00 1.55 O ATOM 346 CB PHE A 25 10.307 -3.784 -6.917 1.00 1.01 C ATOM 347 CG PHE A 25 9.148 -3.363 -6.013 1.00 0.79 C ATOM 348 CD1 PHE A 25 8.107 -4.211 -5.801 1.00 2.10 C ATOM 349 CD2 PHE A 25 9.157 -2.138 -5.421 1.00 1.72 C ATOM 350 CE1 PHE A 25 7.031 -3.820 -4.962 1.00 2.73 C ATOM 351 CE2 PHE A 25 8.081 -1.746 -4.582 1.00 1.69 C ATOM 352 CZ PHE A 25 7.040 -2.595 -4.371 1.00 1.87 C ATOM 0 H PHE A 25 8.646 -4.982 -8.979 1.00 0.83 H new ATOM 0 HA PHE A 25 10.150 -2.489 -8.669 1.00 0.84 H new ATOM 0 HB2 PHE A 25 10.510 -4.843 -6.760 1.00 1.01 H new ATOM 0 HB3 PHE A 25 11.203 -3.240 -6.618 1.00 1.01 H new ATOM 0 HD1 PHE A 25 8.099 -5.183 -6.271 1.00 2.10 H new ATOM 0 HD2 PHE A 25 9.983 -1.463 -5.589 1.00 1.72 H new ATOM 0 HE1 PHE A 25 6.205 -4.495 -4.793 1.00 2.73 H new ATOM 0 HE2 PHE A 25 8.089 -0.774 -4.112 1.00 1.69 H new ATOM 0 HZ PHE A 25 6.220 -2.297 -3.734 1.00 1.87 H new ATOM 362 N SER A 26 11.532 -3.708 -10.305 1.00 0.72 N ATOM 363 CA SER A 26 12.515 -4.333 -11.173 1.00 0.89 C ATOM 364 C SER A 26 13.870 -4.397 -10.467 1.00 0.98 C ATOM 365 O SER A 26 14.809 -5.011 -10.973 1.00 1.17 O ATOM 366 CB SER A 26 12.641 -3.576 -12.497 1.00 1.04 C ATOM 367 OG SER A 26 12.373 -4.412 -13.618 1.00 1.90 O ATOM 0 H SER A 26 11.228 -2.781 -10.603 1.00 0.72 H new ATOM 0 HA SER A 26 12.180 -5.346 -11.396 1.00 0.89 H new ATOM 0 HB2 SER A 26 11.950 -2.733 -12.500 1.00 1.04 H new ATOM 0 HB3 SER A 26 13.646 -3.164 -12.584 1.00 1.04 H new ATOM 0 HG SER A 26 12.462 -3.891 -14.443 1.00 1.90 H new ATOM 499 N GLY A 35 7.315 -4.609 2.668 1.00 0.61 N ATOM 500 CA GLY A 35 5.963 -4.965 3.065 1.00 0.65 C ATOM 501 C GLY A 35 4.976 -3.851 2.710 1.00 0.69 C ATOM 502 O GLY A 35 5.318 -2.923 1.980 1.00 1.05 O ATOM 0 HA2 GLY A 35 5.666 -5.890 2.570 1.00 0.65 H new ATOM 0 HA3 GLY A 35 5.933 -5.154 4.138 1.00 0.65 H new ATOM 506 N ALA A 36 3.770 -3.980 3.244 1.00 0.52 N ATOM 507 CA ALA A 36 2.732 -2.996 2.993 1.00 0.62 C ATOM 508 C ALA A 36 1.718 -3.028 4.139 1.00 0.57 C ATOM 509 O ALA A 36 1.546 -4.055 4.793 1.00 0.59 O ATOM 510 CB ALA A 36 2.084 -3.272 1.635 1.00 0.87 C ATOM 0 H ALA A 36 3.489 -4.751 3.849 1.00 0.52 H new ATOM 0 HA ALA A 36 3.156 -1.993 2.954 1.00 0.62 H new ATOM 0 HB1 ALA A 36 1.305 -2.533 1.447 1.00 0.87 H new ATOM 0 HB2 ALA A 36 2.840 -3.210 0.852 1.00 0.87 H new ATOM 0 HB3 ALA A 36 1.645 -4.270 1.637 1.00 0.87 H new ATOM 516 N LYS A 37 1.073 -1.890 4.349 1.00 0.53 N ATOM 517 CA LYS A 37 0.082 -1.773 5.403 1.00 0.52 C ATOM 518 C LYS A 37 -0.905 -0.658 5.051 1.00 0.49 C ATOM 519 O LYS A 37 -0.504 0.485 4.837 1.00 0.47 O ATOM 520 CB LYS A 37 0.763 -1.586 6.761 1.00 0.58 C ATOM 521 CG LYS A 37 0.771 -2.893 7.555 1.00 0.69 C ATOM 522 CD LYS A 37 1.594 -2.750 8.836 1.00 1.30 C ATOM 523 CE LYS A 37 2.783 -3.714 8.836 1.00 2.40 C ATOM 524 NZ LYS A 37 3.681 -3.430 9.976 1.00 3.34 N ATOM 0 H LYS A 37 1.218 -1.039 3.805 1.00 0.53 H new ATOM 0 HA LYS A 37 -0.495 -2.694 5.486 1.00 0.52 H new ATOM 0 HB2 LYS A 37 1.786 -1.239 6.614 1.00 0.58 H new ATOM 0 HB3 LYS A 37 0.243 -0.814 7.329 1.00 0.58 H new ATOM 0 HG2 LYS A 37 -0.251 -3.177 7.805 1.00 0.69 H new ATOM 0 HG3 LYS A 37 1.183 -3.693 6.941 1.00 0.69 H new ATOM 0 HD2 LYS A 37 1.953 -1.725 8.929 1.00 1.30 H new ATOM 0 HD3 LYS A 37 0.962 -2.947 9.702 1.00 1.30 H new ATOM 0 HE2 LYS A 37 2.425 -4.742 8.895 1.00 2.40 H new ATOM 0 HE3 LYS A 37 3.334 -3.621 7.900 1.00 2.40 H new ATOM 0 HZ1 LYS A 37 4.482 -4.093 9.961 1.00 3.34 H new ATOM 0 HZ2 LYS A 37 4.037 -2.455 9.903 1.00 3.34 H new ATOM 0 HZ3 LYS A 37 3.157 -3.541 10.867 1.00 3.34 H new ATOM 538 N LEU A 38 -2.175 -1.030 5.002 1.00 0.49 N ATOM 539 CA LEU A 38 -3.222 -0.074 4.678 1.00 0.47 C ATOM 540 C LEU A 38 -3.815 0.483 5.974 1.00 0.48 C ATOM 541 O LEU A 38 -4.162 -0.276 6.878 1.00 0.55 O ATOM 542 CB LEU A 38 -4.259 -0.709 3.749 1.00 0.50 C ATOM 543 CG LEU A 38 -5.496 0.138 3.446 1.00 0.51 C ATOM 544 CD1 LEU A 38 -5.101 1.563 3.053 1.00 0.58 C ATOM 545 CD2 LEU A 38 -6.371 -0.529 2.383 1.00 0.66 C ATOM 0 H LEU A 38 -2.504 -1.979 5.181 1.00 0.49 H new ATOM 0 HA LEU A 38 -2.810 0.771 4.126 1.00 0.47 H new ATOM 0 HB2 LEU A 38 -3.771 -0.954 2.806 1.00 0.50 H new ATOM 0 HB3 LEU A 38 -4.587 -1.650 4.192 1.00 0.50 H new ATOM 0 HG LEU A 38 -6.093 0.208 4.355 1.00 0.51 H new ATOM 0 HD11 LEU A 38 -5.999 2.144 2.843 1.00 0.58 H new ATOM 0 HD12 LEU A 38 -4.552 2.027 3.872 1.00 0.58 H new ATOM 0 HD13 LEU A 38 -4.471 1.534 2.164 1.00 0.58 H new ATOM 0 HD21 LEU A 38 -7.243 0.094 2.187 1.00 0.66 H new ATOM 0 HD22 LEU A 38 -5.798 -0.651 1.464 1.00 0.66 H new ATOM 0 HD23 LEU A 38 -6.696 -1.506 2.740 1.00 0.66 H new ATOM 557 N VAL A 39 -3.915 1.803 6.021 1.00 0.47 N ATOM 558 CA VAL A 39 -4.461 2.470 7.191 1.00 0.49 C ATOM 559 C VAL A 39 -5.493 3.508 6.746 1.00 0.48 C ATOM 560 O VAL A 39 -5.240 4.284 5.825 1.00 0.55 O ATOM 561 CB VAL A 39 -3.329 3.073 8.026 1.00 0.59 C ATOM 562 CG1 VAL A 39 -2.399 1.981 8.559 1.00 0.75 C ATOM 563 CG2 VAL A 39 -2.549 4.114 7.221 1.00 0.84 C ATOM 0 H VAL A 39 -3.627 2.428 5.268 1.00 0.47 H new ATOM 0 HA VAL A 39 -4.975 1.755 7.833 1.00 0.49 H new ATOM 0 HB VAL A 39 -3.776 3.578 8.882 1.00 0.59 H new ATOM 0 HG11 VAL A 39 -1.604 2.436 9.149 1.00 0.75 H new ATOM 0 HG12 VAL A 39 -2.967 1.293 9.186 1.00 0.75 H new ATOM 0 HG13 VAL A 39 -1.963 1.434 7.723 1.00 0.75 H new ATOM 0 HG21 VAL A 39 -1.750 4.527 7.837 1.00 0.84 H new ATOM 0 HG22 VAL A 39 -2.119 3.643 6.337 1.00 0.84 H new ATOM 0 HG23 VAL A 39 -3.221 4.915 6.914 1.00 0.84 H new ATOM 573 N MET A 40 -6.633 3.489 7.420 1.00 0.48 N ATOM 574 CA MET A 40 -7.705 4.418 7.105 1.00 0.51 C ATOM 575 C MET A 40 -7.552 5.719 7.895 1.00 0.58 C ATOM 576 O MET A 40 -7.980 5.804 9.046 1.00 0.60 O ATOM 577 CB MET A 40 -9.053 3.775 7.434 1.00 0.55 C ATOM 578 CG MET A 40 -10.204 4.748 7.171 1.00 0.65 C ATOM 579 SD MET A 40 -11.562 4.401 8.276 1.00 1.04 S ATOM 580 CE MET A 40 -12.204 6.050 8.504 1.00 2.11 C ATOM 0 H MET A 40 -6.838 2.845 8.184 1.00 0.48 H new ATOM 0 HA MET A 40 -7.656 4.653 6.042 1.00 0.51 H new ATOM 0 HB2 MET A 40 -9.188 2.876 6.832 1.00 0.55 H new ATOM 0 HB3 MET A 40 -9.066 3.464 8.479 1.00 0.55 H new ATOM 0 HG2 MET A 40 -9.863 5.774 7.312 1.00 0.65 H new ATOM 0 HG3 MET A 40 -10.535 4.661 6.136 1.00 0.65 H new ATOM 0 HE1 MET A 40 -12.957 6.042 9.292 1.00 2.11 H new ATOM 0 HE2 MET A 40 -11.392 6.721 8.785 1.00 2.11 H new ATOM 0 HE3 MET A 40 -12.655 6.396 7.574 1.00 2.11 H new ATOM 590 N THR A 41 -6.941 6.700 7.248 1.00 0.64 N ATOM 591 CA THR A 41 -6.727 7.992 7.877 1.00 0.74 C ATOM 592 C THR A 41 -7.638 9.049 7.250 1.00 0.82 C ATOM 593 O THR A 41 -7.161 10.044 6.708 1.00 0.95 O ATOM 594 CB THR A 41 -5.239 8.331 7.767 1.00 0.84 C ATOM 595 OG1 THR A 41 -5.143 9.650 8.299 1.00 0.92 O ATOM 596 CG2 THR A 41 -4.779 8.480 6.315 1.00 0.95 C ATOM 0 H THR A 41 -6.587 6.626 6.294 1.00 0.64 H new ATOM 0 HA THR A 41 -6.992 7.965 8.934 1.00 0.74 H new ATOM 0 HB THR A 41 -4.652 7.553 8.256 1.00 0.84 H new ATOM 0 HG1 THR A 41 -5.580 10.281 7.690 1.00 0.92 H new ATOM 0 HG21 THR A 41 -3.716 8.720 6.293 1.00 0.95 H new ATOM 0 HG22 THR A 41 -4.951 7.545 5.781 1.00 0.95 H new ATOM 0 HG23 THR A 41 -5.342 9.281 5.835 1.00 0.95 H new ATOM 604 N ALA A 42 -8.936 8.796 7.345 1.00 0.80 N ATOM 605 CA ALA A 42 -9.920 9.713 6.793 1.00 0.91 C ATOM 606 C ALA A 42 -9.652 11.122 7.326 1.00 1.13 C ATOM 607 O ALA A 42 -8.739 11.324 8.125 1.00 2.32 O ATOM 608 CB ALA A 42 -11.327 9.218 7.133 1.00 0.99 C ATOM 0 H ALA A 42 -9.329 7.970 7.796 1.00 0.80 H new ATOM 0 HA ALA A 42 -9.842 9.751 5.706 1.00 0.91 H new ATOM 0 HB1 ALA A 42 -12.065 9.906 6.719 1.00 0.99 H new ATOM 0 HB2 ALA A 42 -11.477 8.226 6.707 1.00 0.99 H new ATOM 0 HB3 ALA A 42 -11.444 9.169 8.216 1.00 0.99 H new ATOM 726 N MET A 51 -5.830 4.552 11.627 1.00 0.79 N ATOM 727 CA MET A 51 -6.068 3.180 12.046 1.00 0.83 C ATOM 728 C MET A 51 -5.636 2.193 10.960 1.00 0.78 C ATOM 729 O MET A 51 -5.663 2.518 9.775 1.00 1.10 O ATOM 730 CB MET A 51 -7.555 2.990 12.348 1.00 0.92 C ATOM 731 CG MET A 51 -7.827 3.093 13.851 1.00 1.44 C ATOM 732 SD MET A 51 -9.487 3.686 14.132 1.00 1.67 S ATOM 733 CE MET A 51 -9.273 4.467 15.722 1.00 2.27 C ATOM 0 HA MET A 51 -5.479 2.985 12.942 1.00 0.83 H new ATOM 0 HB2 MET A 51 -8.137 3.743 11.817 1.00 0.92 H new ATOM 0 HB3 MET A 51 -7.883 2.017 11.981 1.00 0.92 H new ATOM 0 HG2 MET A 51 -7.696 2.118 14.320 1.00 1.44 H new ATOM 0 HG3 MET A 51 -7.108 3.769 14.314 1.00 1.44 H new ATOM 0 HE1 MET A 51 -10.222 4.893 16.049 1.00 2.27 H new ATOM 0 HE2 MET A 51 -8.938 3.727 16.449 1.00 2.27 H new ATOM 0 HE3 MET A 51 -8.528 5.259 15.641 1.00 2.27 H new ATOM 743 N ALA A 52 -5.248 1.007 11.405 1.00 0.75 N ATOM 744 CA ALA A 52 -4.811 -0.031 10.486 1.00 0.71 C ATOM 745 C ALA A 52 -6.022 -0.852 10.038 1.00 0.67 C ATOM 746 O ALA A 52 -6.953 -1.064 10.813 1.00 0.73 O ATOM 747 CB ALA A 52 -3.739 -0.891 11.158 1.00 0.84 C ATOM 0 H ALA A 52 -5.227 0.741 12.390 1.00 0.75 H new ATOM 0 HA ALA A 52 -4.363 0.409 9.595 1.00 0.71 H new ATOM 0 HB1 ALA A 52 -3.412 -1.669 10.468 1.00 0.84 H new ATOM 0 HB2 ALA A 52 -2.888 -0.266 11.430 1.00 0.84 H new ATOM 0 HB3 ALA A 52 -4.152 -1.352 12.055 1.00 0.84 H new ATOM 753 N VAL A 53 -5.969 -1.293 8.790 1.00 0.62 N ATOM 754 CA VAL A 53 -7.050 -2.087 8.231 1.00 0.65 C ATOM 755 C VAL A 53 -6.551 -3.511 7.976 1.00 0.73 C ATOM 756 O VAL A 53 -5.501 -3.705 7.365 1.00 1.17 O ATOM 757 CB VAL A 53 -7.598 -1.411 6.972 1.00 0.63 C ATOM 758 CG1 VAL A 53 -6.872 -1.911 5.721 1.00 0.67 C ATOM 759 CG2 VAL A 53 -9.108 -1.621 6.850 1.00 0.77 C ATOM 0 H VAL A 53 -5.195 -1.116 8.150 1.00 0.62 H new ATOM 0 HA VAL A 53 -7.879 -2.154 8.935 1.00 0.65 H new ATOM 0 HB VAL A 53 -7.415 -0.340 7.060 1.00 0.63 H new ATOM 0 HG11 VAL A 53 -7.281 -1.415 4.841 1.00 0.67 H new ATOM 0 HG12 VAL A 53 -5.809 -1.686 5.803 1.00 0.67 H new ATOM 0 HG13 VAL A 53 -7.009 -2.988 5.627 1.00 0.67 H new ATOM 0 HG21 VAL A 53 -9.472 -1.131 5.947 1.00 0.77 H new ATOM 0 HG22 VAL A 53 -9.324 -2.688 6.795 1.00 0.77 H new ATOM 0 HG23 VAL A 53 -9.606 -1.194 7.720 1.00 0.77 H new ATOM 769 N LYS A 54 -7.328 -4.471 8.456 1.00 0.56 N ATOM 770 CA LYS A 54 -6.979 -5.870 8.288 1.00 0.62 C ATOM 771 C LYS A 54 -6.845 -6.183 6.797 1.00 0.57 C ATOM 772 O LYS A 54 -7.846 -6.311 6.093 1.00 0.73 O ATOM 773 CB LYS A 54 -7.986 -6.765 9.015 1.00 0.73 C ATOM 774 CG LYS A 54 -9.285 -6.891 8.216 1.00 2.43 C ATOM 775 CD LYS A 54 -10.487 -7.064 9.146 1.00 2.71 C ATOM 776 CE LYS A 54 -10.909 -8.533 9.231 1.00 3.71 C ATOM 777 NZ LYS A 54 -11.241 -8.898 10.625 1.00 3.61 N ATOM 0 H LYS A 54 -8.199 -4.306 8.962 1.00 0.56 H new ATOM 0 HA LYS A 54 -6.012 -6.078 8.746 1.00 0.62 H new ATOM 0 HB2 LYS A 54 -7.553 -7.753 9.171 1.00 0.73 H new ATOM 0 HB3 LYS A 54 -8.200 -6.352 10.001 1.00 0.73 H new ATOM 0 HG2 LYS A 54 -9.424 -6.004 7.598 1.00 2.43 H new ATOM 0 HG3 LYS A 54 -9.219 -7.743 7.540 1.00 2.43 H new ATOM 0 HD2 LYS A 54 -10.237 -6.696 10.141 1.00 2.71 H new ATOM 0 HD3 LYS A 54 -11.321 -6.463 8.784 1.00 2.71 H new ATOM 0 HE2 LYS A 54 -11.772 -8.707 8.588 1.00 3.71 H new ATOM 0 HE3 LYS A 54 -10.104 -9.170 8.864 1.00 3.71 H new ATOM 0 HZ1 LYS A 54 -11.525 -9.898 10.664 1.00 3.61 H new ATOM 0 HZ2 LYS A 54 -10.408 -8.751 11.230 1.00 3.61 H new ATOM 0 HZ3 LYS A 54 -12.024 -8.302 10.963 1.00 3.61 H new ATOM 791 N ALA A 55 -5.600 -6.295 6.358 1.00 0.55 N ATOM 792 CA ALA A 55 -5.321 -6.591 4.963 1.00 0.51 C ATOM 793 C ALA A 55 -4.256 -7.685 4.880 1.00 0.56 C ATOM 794 O ALA A 55 -3.702 -8.095 5.898 1.00 0.65 O ATOM 795 CB ALA A 55 -4.896 -5.308 4.245 1.00 0.49 C ATOM 0 H ALA A 55 -4.772 -6.186 6.944 1.00 0.55 H new ATOM 0 HA ALA A 55 -6.215 -6.964 4.464 1.00 0.51 H new ATOM 0 HB1 ALA A 55 -4.686 -5.529 3.198 1.00 0.49 H new ATOM 0 HB2 ALA A 55 -5.699 -4.573 4.307 1.00 0.49 H new ATOM 0 HB3 ALA A 55 -4.000 -4.907 4.718 1.00 0.49 H new ATOM 801 N ALA A 56 -4.003 -8.129 3.657 1.00 0.55 N ATOM 802 CA ALA A 56 -3.014 -9.169 3.428 1.00 0.65 C ATOM 803 C ALA A 56 -2.098 -8.751 2.276 1.00 0.48 C ATOM 804 O ALA A 56 -2.524 -8.043 1.365 1.00 0.44 O ATOM 805 CB ALA A 56 -3.724 -10.497 3.157 1.00 0.85 C ATOM 0 H ALA A 56 -4.466 -7.788 2.815 1.00 0.55 H new ATOM 0 HA ALA A 56 -2.390 -9.307 4.311 1.00 0.65 H new ATOM 0 HB1 ALA A 56 -2.983 -11.277 2.985 1.00 0.85 H new ATOM 0 HB2 ALA A 56 -4.338 -10.763 4.017 1.00 0.85 H new ATOM 0 HB3 ALA A 56 -4.357 -10.398 2.275 1.00 0.85 H new ATOM 811 N VAL A 57 -0.856 -9.206 2.356 1.00 0.65 N ATOM 812 CA VAL A 57 0.124 -8.888 1.331 1.00 0.59 C ATOM 813 C VAL A 57 0.530 -10.171 0.603 1.00 0.58 C ATOM 814 O VAL A 57 0.973 -11.131 1.231 1.00 0.67 O ATOM 815 CB VAL A 57 1.313 -8.153 1.955 1.00 0.78 C ATOM 816 CG1 VAL A 57 0.843 -6.967 2.798 1.00 1.72 C ATOM 817 CG2 VAL A 57 2.174 -9.109 2.783 1.00 2.31 C ATOM 0 H VAL A 57 -0.506 -9.792 3.114 1.00 0.65 H new ATOM 0 HA VAL A 57 -0.305 -8.215 0.588 1.00 0.59 H new ATOM 0 HB VAL A 57 1.930 -7.763 1.145 1.00 0.78 H new ATOM 0 HG11 VAL A 57 1.707 -6.462 3.230 1.00 1.72 H new ATOM 0 HG12 VAL A 57 0.292 -6.268 2.168 1.00 1.72 H new ATOM 0 HG13 VAL A 57 0.194 -7.324 3.598 1.00 1.72 H new ATOM 0 HG21 VAL A 57 3.012 -8.562 3.215 1.00 2.31 H new ATOM 0 HG22 VAL A 57 1.572 -9.542 3.582 1.00 2.31 H new ATOM 0 HG23 VAL A 57 2.552 -9.905 2.142 1.00 2.31 H new ATOM 827 N SER A 58 0.361 -10.147 -0.711 1.00 0.53 N ATOM 828 CA SER A 58 0.704 -11.296 -1.531 1.00 0.58 C ATOM 829 C SER A 58 1.522 -10.848 -2.744 1.00 0.62 C ATOM 830 O SER A 58 1.737 -9.653 -2.946 1.00 1.18 O ATOM 831 CB SER A 58 -0.552 -12.043 -1.984 1.00 0.71 C ATOM 832 OG SER A 58 -1.423 -12.331 -0.894 1.00 0.85 O ATOM 0 H SER A 58 -0.009 -9.349 -1.228 1.00 0.53 H new ATOM 0 HA SER A 58 1.303 -11.979 -0.929 1.00 0.58 H new ATOM 0 HB2 SER A 58 -1.083 -11.444 -2.724 1.00 0.71 H new ATOM 0 HB3 SER A 58 -0.264 -12.973 -2.474 1.00 0.71 H new ATOM 0 HG SER A 58 -2.214 -12.807 -1.224 1.00 0.85 H new ATOM 838 N GLY A 59 1.954 -11.830 -3.521 1.00 0.59 N ATOM 839 CA GLY A 59 2.744 -11.552 -4.709 1.00 0.54 C ATOM 840 C GLY A 59 2.049 -12.081 -5.965 1.00 0.66 C ATOM 841 O GLY A 59 1.265 -13.026 -5.894 1.00 0.86 O ATOM 0 H GLY A 59 1.772 -12.819 -3.351 1.00 0.59 H new ATOM 0 HA2 GLY A 59 2.902 -10.478 -4.802 1.00 0.54 H new ATOM 0 HA3 GLY A 59 3.727 -12.012 -4.612 1.00 0.54 H new ATOM 885 N LYS A 64 9.112 -10.293 -7.455 1.00 0.81 N ATOM 886 CA LYS A 64 9.323 -8.926 -7.900 1.00 0.75 C ATOM 887 C LYS A 64 7.969 -8.230 -8.055 1.00 0.65 C ATOM 888 O LYS A 64 7.904 -7.006 -8.150 1.00 0.71 O ATOM 889 CB LYS A 64 10.176 -8.900 -9.169 1.00 0.81 C ATOM 890 CG LYS A 64 9.431 -9.539 -10.343 1.00 0.93 C ATOM 891 CD LYS A 64 9.008 -8.482 -11.365 1.00 1.26 C ATOM 892 CE LYS A 64 9.537 -8.825 -12.759 1.00 1.40 C ATOM 893 NZ LYS A 64 9.155 -7.775 -13.731 1.00 2.24 N ATOM 0 HA LYS A 64 9.887 -8.366 -7.154 1.00 0.75 H new ATOM 0 HB2 LYS A 64 10.436 -7.871 -9.416 1.00 0.81 H new ATOM 0 HB3 LYS A 64 11.111 -9.432 -8.994 1.00 0.81 H new ATOM 0 HG2 LYS A 64 10.070 -10.280 -10.824 1.00 0.93 H new ATOM 0 HG3 LYS A 64 8.551 -10.067 -9.976 1.00 0.93 H new ATOM 0 HD2 LYS A 64 7.921 -8.412 -11.392 1.00 1.26 H new ATOM 0 HD3 LYS A 64 9.383 -7.505 -11.060 1.00 1.26 H new ATOM 0 HE2 LYS A 64 10.622 -8.923 -12.729 1.00 1.40 H new ATOM 0 HE3 LYS A 64 9.138 -9.788 -13.079 1.00 1.40 H new ATOM 0 HZ1 LYS A 64 9.522 -8.023 -14.672 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 8.118 -7.700 -13.772 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 9.556 -6.863 -13.433 1.00 2.24 H new ATOM 907 N THR A 65 6.922 -9.042 -8.074 1.00 0.66 N ATOM 908 CA THR A 65 5.574 -8.519 -8.215 1.00 0.62 C ATOM 909 C THR A 65 4.794 -8.695 -6.911 1.00 0.57 C ATOM 910 O THR A 65 4.646 -9.813 -6.418 1.00 0.62 O ATOM 911 CB THR A 65 4.920 -9.213 -9.413 1.00 0.73 C ATOM 912 OG1 THR A 65 5.442 -8.518 -10.543 1.00 0.76 O ATOM 913 CG2 THR A 65 3.413 -8.963 -9.484 1.00 0.78 C ATOM 0 H THR A 65 6.980 -10.057 -7.994 1.00 0.66 H new ATOM 0 HA THR A 65 5.585 -7.446 -8.408 1.00 0.62 H new ATOM 0 HB THR A 65 5.107 -10.285 -9.358 1.00 0.73 H new ATOM 0 HG1 THR A 65 4.704 -8.234 -11.122 1.00 0.76 H new ATOM 0 HG21 THR A 65 2.999 -9.477 -10.351 1.00 0.78 H new ATOM 0 HG22 THR A 65 2.939 -9.340 -8.578 1.00 0.78 H new ATOM 0 HG23 THR A 65 3.225 -7.893 -9.573 1.00 0.78 H new ATOM 921 N MET A 66 4.313 -7.576 -6.390 1.00 0.54 N ATOM 922 CA MET A 66 3.553 -7.593 -5.152 1.00 0.50 C ATOM 923 C MET A 66 2.102 -7.169 -5.395 1.00 0.45 C ATOM 924 O MET A 66 1.802 -6.512 -6.391 1.00 0.49 O ATOM 925 CB MET A 66 4.200 -6.645 -4.141 1.00 0.50 C ATOM 926 CG MET A 66 4.683 -7.408 -2.906 1.00 0.56 C ATOM 927 SD MET A 66 5.761 -8.743 -3.395 1.00 1.42 S ATOM 928 CE MET A 66 6.979 -7.831 -4.330 1.00 0.80 C ATOM 0 H MET A 66 4.435 -6.651 -6.803 1.00 0.54 H new ATOM 0 HA MET A 66 3.555 -8.610 -4.760 1.00 0.50 H new ATOM 0 HB2 MET A 66 5.040 -6.130 -4.606 1.00 0.50 H new ATOM 0 HB3 MET A 66 3.483 -5.880 -3.843 1.00 0.50 H new ATOM 0 HG2 MET A 66 5.211 -6.731 -2.234 1.00 0.56 H new ATOM 0 HG3 MET A 66 3.829 -7.802 -2.355 1.00 0.56 H new ATOM 0 HE1 MET A 66 7.947 -8.324 -4.244 1.00 0.80 H new ATOM 0 HE2 MET A 66 6.681 -7.795 -5.378 1.00 0.80 H new ATOM 0 HE3 MET A 66 7.053 -6.816 -3.939 1.00 0.80 H new ATOM 938 N VAL A 67 1.241 -7.560 -4.467 1.00 0.47 N ATOM 939 CA VAL A 67 -0.170 -7.228 -4.567 1.00 0.47 C ATOM 940 C VAL A 67 -0.796 -7.258 -3.172 1.00 0.47 C ATOM 941 O VAL A 67 -0.679 -8.251 -2.455 1.00 0.59 O ATOM 942 CB VAL A 67 -0.860 -8.174 -5.552 1.00 0.48 C ATOM 943 CG1 VAL A 67 -1.252 -9.485 -4.870 1.00 2.43 C ATOM 944 CG2 VAL A 67 -2.078 -7.503 -6.192 1.00 2.18 C ATOM 0 H VAL A 67 1.494 -8.104 -3.642 1.00 0.47 H new ATOM 0 HA VAL A 67 -0.299 -6.219 -4.960 1.00 0.47 H new ATOM 0 HB VAL A 67 -0.150 -8.409 -6.345 1.00 0.48 H new ATOM 0 HG11 VAL A 67 -1.740 -10.139 -5.592 1.00 2.43 H new ATOM 0 HG12 VAL A 67 -0.359 -9.975 -4.483 1.00 2.43 H new ATOM 0 HG13 VAL A 67 -1.937 -9.277 -4.048 1.00 2.43 H new ATOM 0 HG21 VAL A 67 -2.551 -8.196 -6.888 1.00 2.18 H new ATOM 0 HG22 VAL A 67 -2.791 -7.226 -5.415 1.00 2.18 H new ATOM 0 HG23 VAL A 67 -1.761 -6.609 -6.729 1.00 2.18 H new ATOM 954 N ILE A 68 -1.448 -6.156 -2.827 1.00 0.38 N ATOM 955 CA ILE A 68 -2.093 -6.044 -1.530 1.00 0.39 C ATOM 956 C ILE A 68 -3.591 -6.315 -1.685 1.00 0.37 C ATOM 957 O ILE A 68 -4.241 -5.744 -2.559 1.00 0.39 O ATOM 958 CB ILE A 68 -1.775 -4.691 -0.890 1.00 0.45 C ATOM 959 CG1 ILE A 68 -0.491 -4.764 -0.062 1.00 0.50 C ATOM 960 CG2 ILE A 68 -2.961 -4.183 -0.066 1.00 0.60 C ATOM 961 CD1 ILE A 68 0.743 -4.790 -0.965 1.00 0.49 C ATOM 0 H ILE A 68 -1.543 -5.334 -3.423 1.00 0.38 H new ATOM 0 HA ILE A 68 -1.703 -6.795 -0.843 1.00 0.39 H new ATOM 0 HB ILE A 68 -1.603 -3.968 -1.687 1.00 0.45 H new ATOM 0 HG12 ILE A 68 -0.437 -3.906 0.609 1.00 0.50 H new ATOM 0 HG13 ILE A 68 -0.507 -5.657 0.563 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -2.709 -3.220 0.378 1.00 0.60 H new ATOM 0 HG22 ILE A 68 -3.831 -4.068 -0.713 1.00 0.60 H new ATOM 0 HG23 ILE A 68 -3.188 -4.899 0.724 1.00 0.60 H new ATOM 0 HD11 ILE A 68 1.642 -4.842 -0.351 1.00 0.49 H new ATOM 0 HD12 ILE A 68 0.698 -5.662 -1.617 1.00 0.49 H new ATOM 0 HD13 ILE A 68 0.769 -3.884 -1.571 1.00 0.49 H new ATOM 973 N THR A 69 -4.094 -7.186 -0.823 1.00 0.38 N ATOM 974 CA THR A 69 -5.504 -7.539 -0.853 1.00 0.40 C ATOM 975 C THR A 69 -6.097 -7.485 0.556 1.00 0.42 C ATOM 976 O THR A 69 -5.700 -8.253 1.430 1.00 0.54 O ATOM 977 CB THR A 69 -5.633 -8.913 -1.514 1.00 0.46 C ATOM 978 OG1 THR A 69 -6.232 -8.636 -2.777 1.00 0.50 O ATOM 979 CG2 THR A 69 -6.651 -9.810 -0.807 1.00 0.49 C ATOM 0 H THR A 69 -3.551 -7.658 -0.100 1.00 0.38 H new ATOM 0 HA THR A 69 -6.079 -6.824 -1.441 1.00 0.40 H new ATOM 0 HB THR A 69 -4.660 -9.405 -1.522 1.00 0.46 H new ATOM 0 HG1 THR A 69 -6.351 -9.473 -3.273 1.00 0.50 H new ATOM 0 HG21 THR A 69 -6.703 -10.772 -1.316 1.00 0.49 H new ATOM 0 HG22 THR A 69 -6.344 -9.963 0.228 1.00 0.49 H new ATOM 0 HG23 THR A 69 -7.632 -9.334 -0.828 1.00 0.49 H new ATOM 987 N PRO A 70 -7.064 -6.545 0.736 1.00 0.40 N ATOM 988 CA PRO A 70 -7.717 -6.380 2.023 1.00 0.46 C ATOM 989 C PRO A 70 -8.718 -7.508 2.279 1.00 0.43 C ATOM 990 O PRO A 70 -9.485 -7.876 1.391 1.00 0.47 O ATOM 991 CB PRO A 70 -8.370 -5.009 1.961 1.00 0.59 C ATOM 992 CG PRO A 70 -8.454 -4.655 0.485 1.00 0.61 C ATOM 993 CD PRO A 70 -7.560 -5.618 -0.278 1.00 0.46 C ATOM 0 HA PRO A 70 -7.019 -6.436 2.858 1.00 0.46 H new ATOM 0 HB2 PRO A 70 -9.361 -5.027 2.415 1.00 0.59 H new ATOM 0 HB3 PRO A 70 -7.782 -4.271 2.507 1.00 0.59 H new ATOM 0 HG2 PRO A 70 -9.483 -4.729 0.133 1.00 0.61 H new ATOM 0 HG3 PRO A 70 -8.134 -3.626 0.321 1.00 0.61 H new ATOM 0 HD2 PRO A 70 -8.115 -6.142 -1.056 1.00 0.46 H new ATOM 0 HD3 PRO A 70 -6.741 -5.093 -0.769 1.00 0.46 H new ATOM 1001 N ALA A 71 -8.677 -8.027 3.498 1.00 0.49 N ATOM 1002 CA ALA A 71 -9.572 -9.107 3.882 1.00 0.55 C ATOM 1003 C ALA A 71 -10.987 -8.553 4.055 1.00 0.56 C ATOM 1004 O ALA A 71 -11.966 -9.278 3.888 1.00 0.70 O ATOM 1005 CB ALA A 71 -9.047 -9.777 5.153 1.00 0.65 C ATOM 0 H ALA A 71 -8.039 -7.720 4.232 1.00 0.49 H new ATOM 0 HA ALA A 71 -9.610 -9.870 3.104 1.00 0.55 H new ATOM 0 HB1 ALA A 71 -9.718 -10.587 5.441 1.00 0.65 H new ATOM 0 HB2 ALA A 71 -8.051 -10.179 4.967 1.00 0.65 H new ATOM 0 HB3 ALA A 71 -8.998 -9.043 5.957 1.00 0.65 H new ATOM 1011 N SER A 72 -11.050 -7.273 4.389 1.00 0.53 N ATOM 1012 CA SER A 72 -12.330 -6.613 4.587 1.00 0.60 C ATOM 1013 C SER A 72 -12.618 -5.667 3.420 1.00 0.58 C ATOM 1014 O SER A 72 -11.702 -5.255 2.710 1.00 0.58 O ATOM 1015 CB SER A 72 -12.354 -5.845 5.911 1.00 0.68 C ATOM 1016 OG SER A 72 -13.442 -6.245 6.740 1.00 0.83 O ATOM 0 H SER A 72 -10.236 -6.675 4.528 1.00 0.53 H new ATOM 0 HA SER A 72 -13.106 -7.377 4.626 1.00 0.60 H new ATOM 0 HB2 SER A 72 -11.416 -6.007 6.441 1.00 0.68 H new ATOM 0 HB3 SER A 72 -12.426 -4.776 5.709 1.00 0.68 H new ATOM 0 HG SER A 72 -13.422 -5.734 7.576 1.00 0.83 H new ATOM 1022 N PRO A 73 -13.928 -5.343 3.252 1.00 0.61 N ATOM 1023 CA PRO A 73 -14.348 -4.453 2.183 1.00 0.62 C ATOM 1024 C PRO A 73 -13.994 -3.001 2.507 1.00 0.52 C ATOM 1025 O PRO A 73 -14.345 -2.495 3.572 1.00 0.54 O ATOM 1026 CB PRO A 73 -15.844 -4.683 2.046 1.00 0.75 C ATOM 1027 CG PRO A 73 -16.286 -5.342 3.342 1.00 0.78 C ATOM 1028 CD PRO A 73 -15.040 -5.812 4.074 1.00 0.70 C ATOM 0 HA PRO A 73 -13.839 -4.657 1.241 1.00 0.62 H new ATOM 0 HB2 PRO A 73 -16.371 -3.742 1.887 1.00 0.75 H new ATOM 0 HB3 PRO A 73 -16.064 -5.320 1.189 1.00 0.75 H new ATOM 0 HG2 PRO A 73 -16.847 -4.638 3.956 1.00 0.78 H new ATOM 0 HG3 PRO A 73 -16.948 -6.183 3.136 1.00 0.78 H new ATOM 0 HD2 PRO A 73 -14.991 -5.396 5.080 1.00 0.70 H new ATOM 0 HD3 PRO A 73 -15.027 -6.897 4.177 1.00 0.70 H new ATOM 1036 N LEU A 74 -13.301 -2.370 1.569 1.00 0.48 N ATOM 1037 CA LEU A 74 -12.896 -0.986 1.741 1.00 0.46 C ATOM 1038 C LEU A 74 -14.120 -0.079 1.597 1.00 0.44 C ATOM 1039 O LEU A 74 -14.754 -0.050 0.543 1.00 0.51 O ATOM 1040 CB LEU A 74 -11.756 -0.638 0.782 1.00 0.56 C ATOM 1041 CG LEU A 74 -10.462 -1.435 0.962 1.00 0.57 C ATOM 1042 CD1 LEU A 74 -9.501 -1.191 -0.204 1.00 0.65 C ATOM 1043 CD2 LEU A 74 -9.813 -1.127 2.314 1.00 0.56 C ATOM 0 H LEU A 74 -13.010 -2.793 0.688 1.00 0.48 H new ATOM 0 HA LEU A 74 -12.498 -0.827 2.743 1.00 0.46 H new ATOM 0 HB2 LEU A 74 -12.109 -0.783 -0.239 1.00 0.56 H new ATOM 0 HB3 LEU A 74 -11.525 0.422 0.892 1.00 0.56 H new ATOM 0 HG LEU A 74 -10.710 -2.496 0.958 1.00 0.57 H new ATOM 0 HD11 LEU A 74 -8.590 -1.769 -0.051 1.00 0.65 H new ATOM 0 HD12 LEU A 74 -9.974 -1.499 -1.136 1.00 0.65 H new ATOM 0 HD13 LEU A 74 -9.254 -0.131 -0.256 1.00 0.65 H new ATOM 0 HD21 LEU A 74 -8.895 -1.706 2.417 1.00 0.56 H new ATOM 0 HD22 LEU A 74 -9.580 -0.064 2.372 1.00 0.56 H new ATOM 0 HD23 LEU A 74 -10.501 -1.392 3.117 1.00 0.56 H new ATOM 1055 N THR A 75 -14.413 0.640 2.670 1.00 0.45 N ATOM 1056 CA THR A 75 -15.549 1.546 2.675 1.00 0.53 C ATOM 1057 C THR A 75 -15.113 2.951 2.254 1.00 0.54 C ATOM 1058 O THR A 75 -13.927 3.202 2.050 1.00 0.60 O ATOM 1059 CB THR A 75 -16.185 1.499 4.066 1.00 0.67 C ATOM 1060 OG1 THR A 75 -15.279 2.235 4.887 1.00 0.78 O ATOM 1061 CG2 THR A 75 -16.173 0.093 4.669 1.00 0.85 C ATOM 0 H THR A 75 -13.884 0.614 3.542 1.00 0.45 H new ATOM 0 HA THR A 75 -16.301 1.241 1.947 1.00 0.53 H new ATOM 0 HB THR A 75 -17.212 1.860 4.007 1.00 0.67 H new ATOM 0 HG1 THR A 75 -14.415 2.313 4.432 1.00 0.78 H new ATOM 0 HG21 THR A 75 -16.636 0.116 5.656 1.00 0.85 H new ATOM 0 HG22 THR A 75 -16.730 -0.585 4.023 1.00 0.85 H new ATOM 0 HG23 THR A 75 -15.144 -0.256 4.759 1.00 0.85 H new ATOM 1069 N ALA A 76 -16.097 3.830 2.136 1.00 0.61 N ATOM 1070 CA ALA A 76 -15.830 5.204 1.741 1.00 0.65 C ATOM 1071 C ALA A 76 -14.773 5.800 2.673 1.00 0.72 C ATOM 1072 O ALA A 76 -14.213 5.098 3.514 1.00 1.10 O ATOM 1073 CB ALA A 76 -17.135 6.001 1.754 1.00 0.76 C ATOM 0 H ALA A 76 -17.080 3.618 2.307 1.00 0.61 H new ATOM 0 HA ALA A 76 -15.435 5.243 0.726 1.00 0.65 H new ATOM 0 HB1 ALA A 76 -16.935 7.031 1.458 1.00 0.76 H new ATOM 0 HB2 ALA A 76 -17.842 5.553 1.055 1.00 0.76 H new ATOM 0 HB3 ALA A 76 -17.559 5.988 2.758 1.00 0.76 H new ATOM 1079 N GLY A 77 -14.533 7.091 2.493 1.00 0.59 N ATOM 1080 CA GLY A 77 -13.553 7.790 3.307 1.00 0.61 C ATOM 1081 C GLY A 77 -12.222 7.926 2.566 1.00 0.54 C ATOM 1082 O GLY A 77 -12.198 8.069 1.344 1.00 0.53 O ATOM 0 H GLY A 77 -15.000 7.671 1.796 1.00 0.59 H new ATOM 0 HA2 GLY A 77 -13.931 8.779 3.568 1.00 0.61 H new ATOM 0 HA3 GLY A 77 -13.400 7.250 4.241 1.00 0.61 H new ATOM 1086 N THR A 78 -11.145 7.877 3.336 1.00 0.56 N ATOM 1087 CA THR A 78 -9.812 7.993 2.768 1.00 0.57 C ATOM 1088 C THR A 78 -8.828 7.107 3.533 1.00 0.52 C ATOM 1089 O THR A 78 -8.947 6.944 4.747 1.00 0.51 O ATOM 1090 CB THR A 78 -9.426 9.474 2.769 1.00 0.68 C ATOM 1091 OG1 THR A 78 -10.470 10.107 2.036 1.00 0.63 O ATOM 1092 CG2 THR A 78 -8.168 9.751 1.942 1.00 0.93 C ATOM 0 H THR A 78 -11.168 7.759 4.349 1.00 0.56 H new ATOM 0 HA THR A 78 -9.787 7.637 1.738 1.00 0.57 H new ATOM 0 HB THR A 78 -9.267 9.807 3.795 1.00 0.68 H new ATOM 0 HG1 THR A 78 -10.299 11.071 1.990 1.00 0.63 H new ATOM 0 HG21 THR A 78 -7.938 10.816 1.976 1.00 0.93 H new ATOM 0 HG22 THR A 78 -7.331 9.186 2.352 1.00 0.93 H new ATOM 0 HG23 THR A 78 -8.338 9.449 0.909 1.00 0.93 H new ATOM 1100 N TYR A 79 -7.875 6.559 2.793 1.00 0.52 N ATOM 1101 CA TYR A 79 -6.870 5.694 3.386 1.00 0.49 C ATOM 1102 C TYR A 79 -5.494 5.948 2.768 1.00 0.50 C ATOM 1103 O TYR A 79 -5.389 6.576 1.715 1.00 0.53 O ATOM 1104 CB TYR A 79 -7.304 4.262 3.065 1.00 0.51 C ATOM 1105 CG TYR A 79 -8.776 3.974 3.371 1.00 0.47 C ATOM 1106 CD1 TYR A 79 -9.766 4.582 2.626 1.00 1.78 C ATOM 1107 CD2 TYR A 79 -9.112 3.106 4.389 1.00 1.91 C ATOM 1108 CE1 TYR A 79 -11.151 4.311 2.914 1.00 1.88 C ATOM 1109 CE2 TYR A 79 -10.496 2.836 4.677 1.00 1.85 C ATOM 1110 CZ TYR A 79 -11.448 3.451 3.925 1.00 0.57 C ATOM 1111 OH TYR A 79 -12.755 3.195 4.197 1.00 0.67 O ATOM 0 H TYR A 79 -7.778 6.698 1.787 1.00 0.52 H new ATOM 0 HA TYR A 79 -6.790 5.877 4.458 1.00 0.49 H new ATOM 0 HB2 TYR A 79 -7.118 4.065 2.009 1.00 0.51 H new ATOM 0 HB3 TYR A 79 -6.683 3.569 3.633 1.00 0.51 H new ATOM 0 HD1 TYR A 79 -9.502 5.260 1.828 1.00 1.78 H new ATOM 0 HD2 TYR A 79 -8.337 2.629 4.970 1.00 1.91 H new ATOM 0 HE1 TYR A 79 -11.936 4.780 2.340 1.00 1.88 H new ATOM 0 HE2 TYR A 79 -10.773 2.160 5.473 1.00 1.85 H new ATOM 0 HH TYR A 79 -13.323 3.692 3.571 1.00 0.67 H new ATOM 1121 N LYS A 80 -4.473 5.447 3.449 1.00 0.52 N ATOM 1122 CA LYS A 80 -3.108 5.613 2.980 1.00 0.54 C ATOM 1123 C LYS A 80 -2.390 4.262 3.030 1.00 0.50 C ATOM 1124 O LYS A 80 -2.106 3.746 4.111 1.00 0.57 O ATOM 1125 CB LYS A 80 -2.401 6.716 3.768 1.00 0.64 C ATOM 1126 CG LYS A 80 -0.952 6.880 3.301 1.00 1.31 C ATOM 1127 CD LYS A 80 0.028 6.426 4.384 1.00 2.34 C ATOM 1128 CE LYS A 80 0.992 7.552 4.759 1.00 2.55 C ATOM 1129 NZ LYS A 80 0.665 8.092 6.097 1.00 2.83 N ATOM 0 H LYS A 80 -4.564 4.926 4.321 1.00 0.52 H new ATOM 0 HA LYS A 80 -3.098 5.942 1.941 1.00 0.54 H new ATOM 0 HB2 LYS A 80 -2.936 7.657 3.643 1.00 0.64 H new ATOM 0 HB3 LYS A 80 -2.420 6.477 4.831 1.00 0.64 H new ATOM 0 HG2 LYS A 80 -0.791 6.299 2.393 1.00 1.31 H new ATOM 0 HG3 LYS A 80 -0.763 7.924 3.049 1.00 1.31 H new ATOM 0 HD2 LYS A 80 -0.524 6.106 5.268 1.00 2.34 H new ATOM 0 HD3 LYS A 80 0.592 5.563 4.030 1.00 2.34 H new ATOM 0 HE2 LYS A 80 2.016 7.179 4.752 1.00 2.55 H new ATOM 0 HE3 LYS A 80 0.937 8.348 4.016 1.00 2.55 H new ATOM 0 HZ1 LYS A 80 1.330 8.856 6.335 1.00 2.83 H new ATOM 0 HZ2 LYS A 80 -0.305 8.466 6.093 1.00 2.83 H new ATOM 0 HZ3 LYS A 80 0.740 7.334 6.805 1.00 2.83 H new ATOM 1143 N VAL A 81 -2.115 3.729 1.849 1.00 0.43 N ATOM 1144 CA VAL A 81 -1.435 2.450 1.745 1.00 0.42 C ATOM 1145 C VAL A 81 0.076 2.674 1.807 1.00 0.45 C ATOM 1146 O VAL A 81 0.686 3.098 0.826 1.00 0.59 O ATOM 1147 CB VAL A 81 -1.880 1.722 0.474 1.00 0.39 C ATOM 1148 CG1 VAL A 81 -1.258 0.326 0.396 1.00 0.48 C ATOM 1149 CG2 VAL A 81 -3.406 1.648 0.391 1.00 0.47 C ATOM 0 H VAL A 81 -2.351 4.160 0.955 1.00 0.43 H new ATOM 0 HA VAL A 81 -1.703 1.806 2.583 1.00 0.42 H new ATOM 0 HB VAL A 81 -1.525 2.295 -0.383 1.00 0.39 H new ATOM 0 HG11 VAL A 81 -1.590 -0.170 -0.516 1.00 0.48 H new ATOM 0 HG12 VAL A 81 -0.171 0.412 0.387 1.00 0.48 H new ATOM 0 HG13 VAL A 81 -1.569 -0.260 1.261 1.00 0.48 H new ATOM 0 HG21 VAL A 81 -3.696 1.126 -0.521 1.00 0.47 H new ATOM 0 HG22 VAL A 81 -3.792 1.108 1.256 1.00 0.47 H new ATOM 0 HG23 VAL A 81 -3.819 2.657 0.379 1.00 0.47 H new ATOM 1159 N ASP A 82 0.640 2.378 2.969 1.00 0.42 N ATOM 1160 CA ASP A 82 2.069 2.543 3.173 1.00 0.46 C ATOM 1161 C ASP A 82 2.788 1.254 2.771 1.00 0.46 C ATOM 1162 O ASP A 82 2.644 0.226 3.432 1.00 0.52 O ATOM 1163 CB ASP A 82 2.388 2.824 4.642 1.00 0.56 C ATOM 1164 CG ASP A 82 1.345 3.665 5.381 1.00 0.80 C ATOM 1165 OD1 ASP A 82 0.160 3.302 5.442 1.00 2.15 O ATOM 1166 OD2 ASP A 82 1.796 4.747 5.917 1.00 1.31 O ATOM 0 H ASP A 82 0.132 2.024 3.780 1.00 0.42 H new ATOM 0 HA ASP A 82 2.401 3.385 2.566 1.00 0.46 H new ATOM 0 HB2 ASP A 82 2.500 1.873 5.162 1.00 0.56 H new ATOM 0 HB3 ASP A 82 3.350 3.334 4.698 1.00 0.56 H new ATOM 1171 N TRP A 83 3.548 1.349 1.690 1.00 0.46 N ATOM 1172 CA TRP A 83 4.290 0.204 1.193 1.00 0.51 C ATOM 1173 C TRP A 83 5.778 0.462 1.437 1.00 0.59 C ATOM 1174 O TRP A 83 6.193 1.606 1.607 1.00 0.54 O ATOM 1175 CB TRP A 83 3.963 -0.065 -0.278 1.00 0.50 C ATOM 1176 CG TRP A 83 4.155 1.149 -1.190 1.00 0.46 C ATOM 1177 CD1 TRP A 83 3.210 1.910 -1.758 1.00 0.45 C ATOM 1178 CD2 TRP A 83 5.412 1.712 -1.618 1.00 0.45 C ATOM 1179 NE1 TRP A 83 3.765 2.921 -2.518 1.00 0.44 N ATOM 1180 CE2 TRP A 83 5.147 2.796 -2.430 1.00 0.44 C ATOM 1181 CE3 TRP A 83 6.731 1.319 -1.329 1.00 0.48 C ATOM 1182 CZ2 TRP A 83 6.149 3.575 -3.020 1.00 0.46 C ATOM 1183 CZ3 TRP A 83 7.721 2.110 -1.926 1.00 0.50 C ATOM 1184 CH2 TRP A 83 7.470 3.203 -2.746 1.00 0.49 C ATOM 0 H TRP A 83 3.666 2.203 1.144 1.00 0.46 H new ATOM 0 HA TRP A 83 4.002 -0.702 1.726 1.00 0.51 H new ATOM 0 HB2 TRP A 83 4.593 -0.879 -0.637 1.00 0.50 H new ATOM 0 HB3 TRP A 83 2.930 -0.404 -0.354 1.00 0.50 H new ATOM 0 HD1 TRP A 83 2.148 1.753 -1.637 1.00 0.45 H new ATOM 0 HE1 TRP A 83 3.255 3.629 -3.046 1.00 0.44 H new ATOM 0 HE3 TRP A 83 6.962 0.474 -0.697 1.00 0.48 H new ATOM 0 HZ2 TRP A 83 5.915 4.418 -3.653 1.00 0.46 H new ATOM 0 HZ3 TRP A 83 8.752 1.852 -1.735 1.00 0.50 H new ATOM 0 HH2 TRP A 83 8.290 3.763 -3.170 1.00 0.49 H new ATOM 1195 N ARG A 84 6.540 -0.622 1.447 1.00 0.75 N ATOM 1196 CA ARG A 84 7.974 -0.528 1.668 1.00 0.85 C ATOM 1197 C ARG A 84 8.719 -1.480 0.730 1.00 1.00 C ATOM 1198 O ARG A 84 8.546 -2.695 0.808 1.00 1.10 O ATOM 1199 CB ARG A 84 8.331 -0.865 3.116 1.00 1.03 C ATOM 1200 CG ARG A 84 7.817 0.212 4.073 1.00 1.12 C ATOM 1201 CD ARG A 84 8.370 0.002 5.484 1.00 1.67 C ATOM 1202 NE ARG A 84 7.260 -0.020 6.464 1.00 1.92 N ATOM 1203 CZ ARG A 84 6.529 1.064 6.804 1.00 1.99 C ATOM 1204 NH1 ARG A 84 6.785 2.265 6.245 1.00 3.08 N ATOM 1205 NH2 ARG A 84 5.562 0.930 7.692 1.00 3.00 N ATOM 0 H ARG A 84 6.192 -1.570 1.306 1.00 0.75 H new ATOM 0 HA ARG A 84 8.275 0.499 1.462 1.00 0.85 H new ATOM 0 HB2 ARG A 84 7.902 -1.830 3.385 1.00 1.03 H new ATOM 0 HB3 ARG A 84 9.412 -0.958 3.215 1.00 1.03 H new ATOM 0 HG2 ARG A 84 8.108 1.197 3.708 1.00 1.12 H new ATOM 0 HG3 ARG A 84 6.728 0.191 4.099 1.00 1.12 H new ATOM 0 HD2 ARG A 84 8.926 -0.935 5.530 1.00 1.67 H new ATOM 0 HD3 ARG A 84 9.070 0.800 5.732 1.00 1.67 H new ATOM 0 HE ARG A 84 7.033 -0.909 6.910 1.00 1.92 H new ATOM 0 HH11 ARG A 84 7.535 2.359 5.560 1.00 3.08 H new ATOM 0 HH12 ARG A 84 6.228 3.079 6.507 1.00 3.08 H new ATOM 0 HH21 ARG A 84 5.376 0.018 8.110 1.00 3.00 H new ATOM 0 HH22 ARG A 84 5.000 1.738 7.960 1.00 3.00 H new ATOM 1324 N ILE A 93 13.275 1.667 1.093 1.00 0.83 N ATOM 1325 CA ILE A 93 12.569 2.833 0.591 1.00 0.69 C ATOM 1326 C ILE A 93 11.086 2.719 0.950 1.00 0.67 C ATOM 1327 O ILE A 93 10.379 1.863 0.419 1.00 1.15 O ATOM 1328 CB ILE A 93 12.827 3.014 -0.906 1.00 1.06 C ATOM 1329 CG1 ILE A 93 12.763 1.672 -1.639 1.00 1.80 C ATOM 1330 CG2 ILE A 93 14.152 3.738 -1.150 1.00 2.63 C ATOM 1331 CD1 ILE A 93 12.514 1.877 -3.135 1.00 3.21 C ATOM 0 HA ILE A 93 12.945 3.739 1.067 1.00 0.69 H new ATOM 0 HB ILE A 93 12.037 3.643 -1.316 1.00 1.06 H new ATOM 0 HG12 ILE A 93 13.697 1.129 -1.493 1.00 1.80 H new ATOM 0 HG13 ILE A 93 11.968 1.059 -1.215 1.00 1.80 H new ATOM 0 HG21 ILE A 93 14.311 3.854 -2.222 1.00 2.63 H new ATOM 0 HG22 ILE A 93 14.122 4.721 -0.679 1.00 2.63 H new ATOM 0 HG23 ILE A 93 14.969 3.156 -0.723 1.00 2.63 H new ATOM 0 HD11 ILE A 93 12.473 0.908 -3.633 1.00 3.21 H new ATOM 0 HD12 ILE A 93 11.568 2.399 -3.278 1.00 3.21 H new ATOM 0 HD13 ILE A 93 13.324 2.470 -3.561 1.00 3.21 H new ATOM 1343 N THR A 94 10.657 3.593 1.848 1.00 0.55 N ATOM 1344 CA THR A 94 9.272 3.601 2.284 1.00 0.57 C ATOM 1345 C THR A 94 8.422 4.460 1.345 1.00 0.51 C ATOM 1346 O THR A 94 8.866 5.513 0.889 1.00 0.69 O ATOM 1347 CB THR A 94 9.235 4.074 3.738 1.00 0.76 C ATOM 1348 OG1 THR A 94 10.046 5.245 3.743 1.00 0.93 O ATOM 1349 CG2 THR A 94 9.962 3.115 4.684 1.00 1.05 C ATOM 0 H THR A 94 11.246 4.302 2.286 1.00 0.55 H new ATOM 0 HA THR A 94 8.840 2.601 2.241 1.00 0.57 H new ATOM 0 HB THR A 94 8.199 4.184 4.057 1.00 0.76 H new ATOM 0 HG1 THR A 94 10.076 5.619 4.649 1.00 0.93 H new ATOM 0 HG21 THR A 94 9.906 3.497 5.703 1.00 1.05 H new ATOM 0 HG22 THR A 94 9.492 2.133 4.638 1.00 1.05 H new ATOM 0 HG23 THR A 94 11.007 3.031 4.385 1.00 1.05 H new ATOM 1357 N GLY A 95 7.215 3.980 1.084 1.00 0.60 N ATOM 1358 CA GLY A 95 6.299 4.690 0.208 1.00 0.55 C ATOM 1359 C GLY A 95 4.869 4.627 0.742 1.00 0.46 C ATOM 1360 O GLY A 95 4.562 3.814 1.614 1.00 0.47 O ATOM 0 H GLY A 95 6.850 3.107 1.464 1.00 0.60 H new ATOM 0 HA2 GLY A 95 6.611 5.730 0.116 1.00 0.55 H new ATOM 0 HA3 GLY A 95 6.337 4.257 -0.791 1.00 0.55 H new ATOM 1364 N SER A 96 4.028 5.495 0.199 1.00 0.49 N ATOM 1365 CA SER A 96 2.635 5.548 0.611 1.00 0.46 C ATOM 1366 C SER A 96 1.757 5.973 -0.568 1.00 0.42 C ATOM 1367 O SER A 96 2.151 6.821 -1.365 1.00 0.43 O ATOM 1368 CB SER A 96 2.445 6.507 1.787 1.00 0.60 C ATOM 1369 OG SER A 96 3.669 7.122 2.179 1.00 0.87 O ATOM 0 H SER A 96 4.285 6.168 -0.523 1.00 0.49 H new ATOM 0 HA SER A 96 2.336 4.552 0.938 1.00 0.46 H new ATOM 0 HB2 SER A 96 1.724 7.277 1.513 1.00 0.60 H new ATOM 0 HB3 SER A 96 2.025 5.964 2.633 1.00 0.60 H new ATOM 0 HG SER A 96 3.504 7.728 2.931 1.00 0.87 H new ATOM 1375 N VAL A 97 0.582 5.363 -0.640 1.00 0.44 N ATOM 1376 CA VAL A 97 -0.355 5.668 -1.706 1.00 0.41 C ATOM 1377 C VAL A 97 -1.728 5.971 -1.102 1.00 0.42 C ATOM 1378 O VAL A 97 -2.465 5.056 -0.738 1.00 0.46 O ATOM 1379 CB VAL A 97 -0.387 4.521 -2.718 1.00 0.41 C ATOM 1380 CG1 VAL A 97 -1.538 4.697 -3.710 1.00 0.57 C ATOM 1381 CG2 VAL A 97 0.951 4.397 -3.448 1.00 0.63 C ATOM 0 H VAL A 97 0.259 4.659 0.023 1.00 0.44 H new ATOM 0 HA VAL A 97 -0.037 6.557 -2.251 1.00 0.41 H new ATOM 0 HB VAL A 97 -0.557 3.595 -2.169 1.00 0.41 H new ATOM 0 HG11 VAL A 97 -1.538 3.868 -4.418 1.00 0.57 H new ATOM 0 HG12 VAL A 97 -2.485 4.713 -3.170 1.00 0.57 H new ATOM 0 HG13 VAL A 97 -1.413 5.636 -4.250 1.00 0.57 H new ATOM 0 HG21 VAL A 97 0.901 3.574 -4.161 1.00 0.63 H new ATOM 0 HG22 VAL A 97 1.163 5.325 -3.979 1.00 0.63 H new ATOM 0 HG23 VAL A 97 1.743 4.203 -2.725 1.00 0.63 H new ATOM 1391 N THR A 98 -2.030 7.258 -1.016 1.00 0.44 N ATOM 1392 CA THR A 98 -3.301 7.693 -0.462 1.00 0.46 C ATOM 1393 C THR A 98 -4.384 7.685 -1.544 1.00 0.42 C ATOM 1394 O THR A 98 -4.106 7.967 -2.707 1.00 0.45 O ATOM 1395 CB THR A 98 -3.093 9.066 0.179 1.00 0.53 C ATOM 1396 OG1 THR A 98 -4.176 9.188 1.096 1.00 0.68 O ATOM 1397 CG2 THR A 98 -3.309 10.213 -0.809 1.00 0.51 C ATOM 0 H THR A 98 -1.416 8.014 -1.321 1.00 0.44 H new ATOM 0 HA THR A 98 -3.651 7.008 0.310 1.00 0.46 H new ATOM 0 HB THR A 98 -2.085 9.126 0.588 1.00 0.53 H new ATOM 0 HG1 THR A 98 -4.554 8.302 1.276 1.00 0.68 H new ATOM 0 HG21 THR A 98 -3.149 11.165 -0.302 1.00 0.51 H new ATOM 0 HG22 THR A 98 -2.605 10.119 -1.635 1.00 0.51 H new ATOM 0 HG23 THR A 98 -4.328 10.174 -1.195 1.00 0.51 H new ATOM 1405 N PHE A 99 -5.596 7.360 -1.119 1.00 0.38 N ATOM 1406 CA PHE A 99 -6.722 7.313 -2.036 1.00 0.36 C ATOM 1407 C PHE A 99 -8.039 7.574 -1.302 1.00 0.38 C ATOM 1408 O PHE A 99 -8.147 7.317 -0.104 1.00 0.38 O ATOM 1409 CB PHE A 99 -6.754 5.903 -2.632 1.00 0.32 C ATOM 1410 CG PHE A 99 -7.160 4.816 -1.634 1.00 0.31 C ATOM 1411 CD1 PHE A 99 -8.439 4.754 -1.178 1.00 1.67 C ATOM 1412 CD2 PHE A 99 -6.240 3.912 -1.204 1.00 1.81 C ATOM 1413 CE1 PHE A 99 -8.815 3.744 -0.253 1.00 1.66 C ATOM 1414 CE2 PHE A 99 -6.615 2.903 -0.278 1.00 1.82 C ATOM 1415 CZ PHE A 99 -7.894 2.840 0.178 1.00 0.33 C ATOM 0 H PHE A 99 -5.823 7.127 -0.152 1.00 0.38 H new ATOM 0 HA PHE A 99 -6.608 8.078 -2.804 1.00 0.36 H new ATOM 0 HB2 PHE A 99 -7.449 5.890 -3.471 1.00 0.32 H new ATOM 0 HB3 PHE A 99 -5.768 5.666 -3.031 1.00 0.32 H new ATOM 0 HD1 PHE A 99 -9.169 5.473 -1.519 1.00 1.67 H new ATOM 0 HD2 PHE A 99 -5.224 3.961 -1.567 1.00 1.81 H new ATOM 0 HE1 PHE A 99 -9.832 3.694 0.108 1.00 1.66 H new ATOM 0 HE2 PHE A 99 -5.884 2.185 0.064 1.00 1.82 H new ATOM 0 HZ PHE A 99 -8.179 2.072 0.882 1.00 0.33 H new ATOM 1425 N LYS A 100 -9.006 8.081 -2.052 1.00 0.41 N ATOM 1426 CA LYS A 100 -10.312 8.380 -1.487 1.00 0.44 C ATOM 1427 C LYS A 100 -11.321 7.332 -1.963 1.00 0.43 C ATOM 1428 O LYS A 100 -11.117 6.692 -2.993 1.00 0.46 O ATOM 1429 CB LYS A 100 -10.719 9.818 -1.814 1.00 0.53 C ATOM 1430 CG LYS A 100 -9.705 10.816 -1.250 1.00 0.66 C ATOM 1431 CD LYS A 100 -10.106 12.254 -1.587 1.00 1.40 C ATOM 1432 CE LYS A 100 -11.346 12.677 -0.796 1.00 1.80 C ATOM 1433 NZ LYS A 100 -11.431 14.152 -0.717 1.00 2.35 N ATOM 0 H LYS A 100 -8.912 8.292 -3.045 1.00 0.41 H new ATOM 0 HA LYS A 100 -10.280 8.321 -0.399 1.00 0.44 H new ATOM 0 HB2 LYS A 100 -10.794 9.942 -2.894 1.00 0.53 H new ATOM 0 HB3 LYS A 100 -11.706 10.024 -1.400 1.00 0.53 H new ATOM 0 HG2 LYS A 100 -9.636 10.698 -0.169 1.00 0.66 H new ATOM 0 HG3 LYS A 100 -8.716 10.605 -1.658 1.00 0.66 H new ATOM 0 HD2 LYS A 100 -9.279 12.928 -1.362 1.00 1.40 H new ATOM 0 HD3 LYS A 100 -10.305 12.339 -2.655 1.00 1.40 H new ATOM 0 HE2 LYS A 100 -12.242 12.280 -1.273 1.00 1.80 H new ATOM 0 HE3 LYS A 100 -11.306 12.255 0.208 1.00 1.80 H new ATOM 0 HZ1 LYS A 100 -12.278 14.423 -0.177 1.00 2.35 H new ATOM 0 HZ2 LYS A 100 -10.584 14.524 -0.242 1.00 2.35 H new ATOM 0 HZ3 LYS A 100 -11.491 14.548 -1.677 1.00 2.35 H new ATOM 1447 N VAL A 101 -12.386 7.189 -1.189 1.00 0.46 N ATOM 1448 CA VAL A 101 -13.427 6.230 -1.518 1.00 0.46 C ATOM 1449 C VAL A 101 -14.797 6.867 -1.274 1.00 0.54 C ATOM 1450 O VAL A 101 -15.118 7.246 -0.149 1.00 0.58 O ATOM 1451 CB VAL A 101 -13.218 4.939 -0.725 1.00 0.43 C ATOM 1452 CG1 VAL A 101 -14.359 3.951 -0.977 1.00 0.49 C ATOM 1453 CG2 VAL A 101 -11.863 4.308 -1.052 1.00 0.43 C ATOM 0 H VAL A 101 -12.551 7.721 -0.335 1.00 0.46 H new ATOM 0 HA VAL A 101 -13.378 5.959 -2.573 1.00 0.46 H new ATOM 0 HB VAL A 101 -13.222 5.192 0.335 1.00 0.43 H new ATOM 0 HG11 VAL A 101 -14.186 3.041 -0.402 1.00 0.49 H new ATOM 0 HG12 VAL A 101 -15.304 4.400 -0.671 1.00 0.49 H new ATOM 0 HG13 VAL A 101 -14.401 3.706 -2.038 1.00 0.49 H new ATOM 0 HG21 VAL A 101 -11.740 3.392 -0.475 1.00 0.43 H new ATOM 0 HG22 VAL A 101 -11.817 4.076 -2.116 1.00 0.43 H new ATOM 0 HG23 VAL A 101 -11.066 5.007 -0.798 1.00 0.43 H new ATOM 1463 N LYS A 102 -15.568 6.965 -2.348 1.00 0.61 N ATOM 1464 CA LYS A 102 -16.896 7.548 -2.263 1.00 0.70 C ATOM 1465 C LYS A 102 -17.944 6.442 -2.395 1.00 0.80 C ATOM 1466 O LYS A 102 -18.914 6.408 -1.640 1.00 1.29 O ATOM 1467 CB LYS A 102 -17.053 8.670 -3.292 1.00 0.74 C ATOM 1468 CG LYS A 102 -15.958 9.725 -3.126 1.00 0.73 C ATOM 1469 CD LYS A 102 -16.337 10.745 -2.050 1.00 1.24 C ATOM 1470 CE LYS A 102 -15.200 11.740 -1.812 1.00 2.02 C ATOM 1471 NZ LYS A 102 -15.174 12.764 -2.878 1.00 2.73 N ATOM 1472 OXT LYS A 102 -17.817 5.386 -1.779 1.00 1.16 O ATOM 0 H LYS A 102 -15.298 6.651 -3.280 1.00 0.61 H new ATOM 0 HA LYS A 102 -17.046 8.014 -1.289 1.00 0.70 H new ATOM 0 HB2 LYS A 102 -17.012 8.253 -4.298 1.00 0.74 H new ATOM 0 HB3 LYS A 102 -18.032 9.136 -3.180 1.00 0.74 H new ATOM 0 HG2 LYS A 102 -15.019 9.241 -2.858 1.00 0.73 H new ATOM 0 HG3 LYS A 102 -15.794 10.236 -4.075 1.00 0.73 H new ATOM 0 HD2 LYS A 102 -17.236 11.281 -2.353 1.00 1.24 H new ATOM 0 HD3 LYS A 102 -16.572 10.227 -1.120 1.00 1.24 H new ATOM 0 HE2 LYS A 102 -15.327 12.220 -0.842 1.00 2.02 H new ATOM 0 HE3 LYS A 102 -14.247 11.212 -1.784 1.00 2.02 H new ATOM 0 HZ1 LYS A 102 -14.396 13.431 -2.700 1.00 2.73 H new ATOM 0 HZ2 LYS A 102 -15.031 12.303 -3.799 1.00 2.73 H new ATOM 0 HZ3 LYS A 102 -16.077 13.280 -2.886 1.00 2.73 H new