USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 522 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 28 MET CE :methyl -176:sc= 0 (180deg=-0.0233) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= -0.122 USER MOD Set 2.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 8 LYS NZ :NH3+ -167:sc= 0.477 (180deg=0.165) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -20:sc= 0.434 USER MOD Single : A 18 LYS NZ :NH3+ -112:sc= 0.294 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= -0.0249 (180deg=-0.365) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 2:sc= -0.133 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= -0.0357 (180deg=-0.332) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc=-0.00141 X(o=-0.0014,f=-0.2) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= -0.0146 (180deg=-0.245) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -167:sc= -0.0194 (180deg=-0.313) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.944 1.805 9.435 1.00 0.00 N ATOM 2 CA ALA A 1 0.450 2.444 8.208 1.00 0.00 C ATOM 3 C ALA A 1 -0.252 1.405 7.349 1.00 0.00 C ATOM 4 O ALA A 1 0.375 0.526 6.759 1.00 0.00 O ATOM 5 CB ALA A 1 1.626 3.049 7.446 1.00 0.00 C ATOM 0 H1 ALA A 1 1.425 2.513 10.026 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.144 1.400 9.962 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.613 1.048 9.187 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.257 3.235 8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.263 3.524 6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.121 3.793 8.071 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.335 2.263 7.188 1.00 0.00 H new ATOM 13 N THR A 2 -1.567 1.500 7.275 1.00 0.00 N ATOM 14 CA THR A 2 -2.306 0.538 6.461 1.00 0.00 C ATOM 15 C THR A 2 -3.200 1.297 5.494 1.00 0.00 C ATOM 16 O THR A 2 -3.632 2.418 5.757 1.00 0.00 O ATOM 17 CB THR A 2 -3.155 -0.353 7.364 1.00 0.00 C ATOM 18 OG1 THR A 2 -3.993 0.461 8.172 1.00 0.00 O ATOM 19 CG2 THR A 2 -2.271 -1.215 8.262 1.00 0.00 C ATOM 0 H THR A 2 -2.134 2.204 7.748 1.00 0.00 H new ATOM 0 HA THR A 2 -1.610 -0.088 5.902 1.00 0.00 H new ATOM 0 HB THR A 2 -3.759 -1.009 6.737 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.541 -0.108 8.752 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.898 -1.841 8.896 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.633 -1.847 7.645 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.650 -0.572 8.886 1.00 0.00 H new ATOM 27 N VAL A 3 -3.482 0.684 4.358 1.00 0.00 N ATOM 28 CA VAL A 3 -4.332 1.357 3.379 1.00 0.00 C ATOM 29 C VAL A 3 -5.695 0.685 3.380 1.00 0.00 C ATOM 30 O VAL A 3 -5.814 -0.534 3.255 1.00 0.00 O ATOM 31 CB VAL A 3 -3.683 1.256 1.999 1.00 0.00 C ATOM 32 CG1 VAL A 3 -4.581 1.890 0.939 1.00 0.00 C ATOM 33 CG2 VAL A 3 -2.337 1.976 2.009 1.00 0.00 C ATOM 0 H VAL A 3 -3.152 -0.244 4.092 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.451 2.411 3.631 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.538 0.202 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.104 1.809 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.540 1.373 0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.741 2.941 1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.877 1.902 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.488 3.026 2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.683 1.515 2.750 1.00 0.00 H new ATOM 43 N LYS A 4 -6.742 1.476 3.525 1.00 0.00 N ATOM 44 CA LYS A 4 -8.078 0.886 3.540 1.00 0.00 C ATOM 45 C LYS A 4 -8.655 0.914 2.134 1.00 0.00 C ATOM 46 O LYS A 4 -8.253 1.703 1.280 1.00 0.00 O ATOM 47 CB LYS A 4 -8.974 1.679 4.487 1.00 0.00 C ATOM 48 CG LYS A 4 -8.506 1.523 5.934 1.00 0.00 C ATOM 49 CD LYS A 4 -9.439 2.246 6.907 1.00 0.00 C ATOM 50 CE LYS A 4 -9.418 3.760 6.706 1.00 0.00 C ATOM 51 NZ LYS A 4 -10.269 4.398 7.722 1.00 0.00 N ATOM 0 H LYS A 4 -6.705 2.490 3.631 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.021 -0.146 3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.963 2.733 4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.004 1.335 4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.461 0.465 6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.496 1.919 6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.456 1.877 6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.146 2.013 7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.397 4.134 6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.775 4.011 5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.257 5.429 7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.244 4.048 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.909 4.168 8.670 1.00 0.00 H new ATOM 65 N PHE A 5 -9.612 0.039 1.883 1.00 0.00 N ATOM 66 CA PHE A 5 -10.209 0.008 0.551 1.00 0.00 C ATOM 67 C PHE A 5 -11.525 -0.749 0.626 1.00 0.00 C ATOM 68 O PHE A 5 -11.613 -1.931 0.298 1.00 0.00 O ATOM 69 CB PHE A 5 -9.248 -0.687 -0.411 1.00 0.00 C ATOM 70 CG PHE A 5 -9.860 -0.802 -1.787 1.00 0.00 C ATOM 71 CD1 PHE A 5 -10.220 0.302 -2.456 1.00 0.00 C ATOM 72 CD2 PHE A 5 -10.043 -2.010 -2.338 1.00 0.00 C ATOM 73 CE1 PHE A 5 -10.764 0.197 -3.676 1.00 0.00 C ATOM 74 CE2 PHE A 5 -10.587 -2.114 -3.559 1.00 0.00 C ATOM 75 CZ PHE A 5 -10.948 -1.010 -4.227 1.00 0.00 C ATOM 0 H PHE A 5 -9.984 -0.636 2.551 1.00 0.00 H new ATOM 0 HA PHE A 5 -10.396 1.020 0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.315 -0.127 -0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -9.002 -1.679 -0.033 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -10.072 1.275 -2.012 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -9.752 -2.899 -1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -11.054 1.086 -4.216 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -10.734 -3.087 -4.004 1.00 0.00 H new ATOM 0 HZ PHE A 5 -11.387 -1.093 -5.210 1.00 0.00 H new ATOM 85 N LYS A 6 -12.566 -0.073 1.073 1.00 0.00 N ATOM 86 CA LYS A 6 -13.843 -0.765 1.218 1.00 0.00 C ATOM 87 C LYS A 6 -14.455 -1.004 -0.153 1.00 0.00 C ATOM 88 O LYS A 6 -14.526 -0.113 -0.998 1.00 0.00 O ATOM 89 CB LYS A 6 -14.787 0.081 2.070 1.00 0.00 C ATOM 90 CG LYS A 6 -15.091 1.408 1.377 1.00 0.00 C ATOM 91 CD LYS A 6 -16.136 2.217 2.144 1.00 0.00 C ATOM 92 CE LYS A 6 -15.609 2.677 3.502 1.00 0.00 C ATOM 93 NZ LYS A 6 -16.619 3.514 4.165 1.00 0.00 N ATOM 0 H LYS A 6 -12.563 0.913 1.334 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.682 -1.726 1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.714 -0.464 2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.337 0.268 3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -14.174 1.990 1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -15.449 1.217 0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -16.429 3.086 1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.031 1.612 2.287 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.373 1.813 4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.684 3.239 3.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.259 3.826 5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.823 4.345 3.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -17.491 2.964 4.301 1.00 0.00 H new ATOM 107 N TYR A 7 -14.915 -2.220 -0.383 1.00 0.00 N ATOM 108 CA TYR A 7 -15.560 -2.499 -1.664 1.00 0.00 C ATOM 109 C TYR A 7 -16.967 -1.920 -1.623 1.00 0.00 C ATOM 110 O TYR A 7 -17.196 -0.766 -1.985 1.00 0.00 O ATOM 111 CB TYR A 7 -15.563 -4.010 -1.893 1.00 0.00 C ATOM 112 CG TYR A 7 -16.124 -4.364 -3.253 1.00 0.00 C ATOM 113 CD1 TYR A 7 -15.533 -3.905 -4.366 1.00 0.00 C ATOM 114 CD2 TYR A 7 -17.198 -5.160 -3.347 1.00 0.00 C ATOM 115 CE1 TYR A 7 -16.016 -4.243 -5.569 1.00 0.00 C ATOM 116 CE2 TYR A 7 -17.678 -5.500 -4.550 1.00 0.00 C ATOM 117 CZ TYR A 7 -17.087 -5.042 -5.661 1.00 0.00 C ATOM 118 OH TYR A 7 -17.578 -5.390 -6.892 1.00 0.00 O ATOM 0 H TYR A 7 -14.861 -3.005 0.266 1.00 0.00 H new ATOM 0 HA TYR A 7 -15.025 -2.039 -2.495 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -14.547 -4.394 -1.806 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -16.154 -4.495 -1.117 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -14.668 -3.263 -4.292 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -17.677 -5.528 -2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -15.542 -3.871 -6.465 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -18.542 -6.144 -4.624 1.00 0.00 H new ATOM 0 HH TYR A 7 -18.356 -5.975 -6.780 1.00 0.00 H new ATOM 128 N LYS A 8 -17.921 -2.701 -1.148 1.00 0.00 N ATOM 129 CA LYS A 8 -19.261 -2.153 -0.960 1.00 0.00 C ATOM 130 C LYS A 8 -19.496 -1.964 0.531 1.00 0.00 C ATOM 131 O LYS A 8 -19.474 -0.851 1.053 1.00 0.00 O ATOM 132 CB LYS A 8 -20.299 -3.116 -1.534 1.00 0.00 C ATOM 133 CG LYS A 8 -20.166 -3.270 -3.049 1.00 0.00 C ATOM 134 CD LYS A 8 -20.555 -1.984 -3.777 1.00 0.00 C ATOM 135 CE LYS A 8 -20.531 -2.192 -5.289 1.00 0.00 C ATOM 136 NZ LYS A 8 -19.167 -2.513 -5.733 1.00 0.00 N ATOM 0 H LYS A 8 -17.806 -3.682 -0.892 1.00 0.00 H new ATOM 0 HA LYS A 8 -19.352 -1.197 -1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -20.189 -4.091 -1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -21.299 -2.756 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.139 -3.536 -3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.800 -4.089 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -21.551 -1.670 -3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -19.868 -1.183 -3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -21.211 -2.999 -5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.884 -1.292 -5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.112 -2.436 -6.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.495 -1.847 -5.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.927 -3.483 -5.445 1.00 0.00 H new ATOM 150 N GLY A 9 -19.709 -3.065 1.231 1.00 0.00 N ATOM 151 CA GLY A 9 -19.908 -2.960 2.675 1.00 0.00 C ATOM 152 C GLY A 9 -18.890 -3.824 3.402 1.00 0.00 C ATOM 153 O GLY A 9 -19.073 -4.201 4.559 1.00 0.00 O ATOM 0 H GLY A 9 -19.749 -4.009 0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -19.808 -1.921 2.990 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -20.918 -3.276 2.936 1.00 0.00 H new ATOM 157 N GLU A 10 -17.806 -4.152 2.721 1.00 0.00 N ATOM 158 CA GLU A 10 -16.790 -4.986 3.360 1.00 0.00 C ATOM 159 C GLU A 10 -15.480 -4.217 3.382 1.00 0.00 C ATOM 160 O GLU A 10 -15.032 -3.672 2.374 1.00 0.00 O ATOM 161 CB GLU A 10 -16.596 -6.294 2.589 1.00 0.00 C ATOM 162 CG GLU A 10 -17.799 -7.231 2.703 1.00 0.00 C ATOM 163 CD GLU A 10 -18.989 -6.748 1.888 1.00 0.00 C ATOM 164 OE1 GLU A 10 -18.840 -6.556 0.661 1.00 0.00 O ATOM 165 OE2 GLU A 10 -20.079 -6.558 2.469 1.00 0.00 O ATOM 0 H GLU A 10 -17.605 -3.869 1.762 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.111 -5.229 4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.415 -6.068 1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.708 -6.803 2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -17.513 -8.228 2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -18.090 -7.318 3.750 1.00 0.00 H new ATOM 172 N GLU A 11 -14.847 -4.166 4.539 1.00 0.00 N ATOM 173 CA GLU A 11 -13.579 -3.444 4.616 1.00 0.00 C ATOM 174 C GLU A 11 -12.463 -4.345 4.115 1.00 0.00 C ATOM 175 O GLU A 11 -12.562 -5.571 4.132 1.00 0.00 O ATOM 176 CB GLU A 11 -13.315 -3.030 6.061 1.00 0.00 C ATOM 177 CG GLU A 11 -14.397 -2.076 6.559 1.00 0.00 C ATOM 178 CD GLU A 11 -14.103 -1.633 7.984 1.00 0.00 C ATOM 179 OE1 GLU A 11 -13.113 -0.899 8.193 1.00 0.00 O ATOM 180 OE2 GLU A 11 -14.860 -2.017 8.901 1.00 0.00 O ATOM 0 H GLU A 11 -15.167 -4.594 5.408 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.623 -2.548 3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.283 -3.915 6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.339 -2.550 6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.451 -1.205 5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.369 -2.567 6.518 1.00 0.00 H new ATOM 187 N LEU A 12 -11.381 -3.739 3.660 1.00 0.00 N ATOM 188 CA LEU A 12 -10.270 -4.552 3.172 1.00 0.00 C ATOM 189 C LEU A 12 -8.980 -3.764 3.341 1.00 0.00 C ATOM 190 O LEU A 12 -8.826 -2.661 2.821 1.00 0.00 O ATOM 191 CB LEU A 12 -10.509 -4.888 1.700 1.00 0.00 C ATOM 192 CG LEU A 12 -9.388 -5.741 1.106 1.00 0.00 C ATOM 193 CD1 LEU A 12 -9.329 -7.111 1.778 1.00 0.00 C ATOM 194 CD2 LEU A 12 -9.641 -5.931 -0.387 1.00 0.00 C ATOM 0 H LEU A 12 -11.244 -2.729 3.616 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.195 -5.482 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.456 -5.418 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.599 -3.964 1.129 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.440 -5.230 1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.523 -7.698 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.145 -6.985 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.277 -7.629 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.845 -6.539 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.598 -6.431 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.661 -4.959 -0.879 1.00 0.00 H new ATOM 206 N GLN A 13 -8.044 -4.328 4.083 1.00 0.00 N ATOM 207 CA GLN A 13 -6.798 -3.602 4.322 1.00 0.00 C ATOM 208 C GLN A 13 -5.673 -4.248 3.528 1.00 0.00 C ATOM 209 O GLN A 13 -5.800 -5.351 2.999 1.00 0.00 O ATOM 210 CB GLN A 13 -6.468 -3.639 5.813 1.00 0.00 C ATOM 211 CG GLN A 13 -7.558 -2.946 6.628 1.00 0.00 C ATOM 212 CD GLN A 13 -7.200 -2.952 8.106 1.00 0.00 C ATOM 213 OE1 GLN A 13 -7.024 -4.000 8.726 1.00 0.00 O ATOM 214 NE2 GLN A 13 -7.089 -1.772 8.688 1.00 0.00 N ATOM 0 H GLN A 13 -8.110 -5.248 4.517 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.911 -2.566 4.004 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.364 -4.673 6.141 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.510 -3.151 5.990 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.683 -1.920 6.282 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.511 -3.452 6.476 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.241 -0.920 8.147 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.851 -1.712 9.678 1.00 0.00 H new ATOM 223 N VAL A 14 -4.552 -3.557 3.445 1.00 0.00 N ATOM 224 CA VAL A 14 -3.422 -4.127 2.716 1.00 0.00 C ATOM 225 C VAL A 14 -2.151 -3.411 3.153 1.00 0.00 C ATOM 226 O VAL A 14 -2.089 -2.185 3.229 1.00 0.00 O ATOM 227 CB VAL A 14 -3.662 -3.991 1.211 1.00 0.00 C ATOM 228 CG1 VAL A 14 -3.834 -2.527 0.809 1.00 0.00 C ATOM 229 CG2 VAL A 14 -2.495 -4.597 0.434 1.00 0.00 C ATOM 0 H VAL A 14 -4.395 -2.636 3.854 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.315 -5.189 2.937 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.580 -4.528 0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.003 -2.462 -0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.688 -2.103 1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.934 -1.970 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.678 -4.494 -0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.574 -4.077 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.400 -5.653 0.686 1.00 0.00 H new ATOM 239 N ASP A 15 -1.119 -4.175 3.459 1.00 0.00 N ATOM 240 CA ASP A 15 0.126 -3.535 3.877 1.00 0.00 C ATOM 241 C ASP A 15 0.788 -2.910 2.658 1.00 0.00 C ATOM 242 O ASP A 15 0.687 -3.412 1.539 1.00 0.00 O ATOM 243 CB ASP A 15 1.033 -4.579 4.524 1.00 0.00 C ATOM 244 CG ASP A 15 0.354 -5.199 5.735 1.00 0.00 C ATOM 245 OD1 ASP A 15 0.381 -4.582 6.821 1.00 0.00 O ATOM 246 OD2 ASP A 15 -0.210 -6.307 5.606 1.00 0.00 O ATOM 0 H ASP A 15 -1.107 -5.195 3.431 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.069 -2.751 4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.277 -5.356 3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.973 -4.116 4.824 1.00 0.00 H new ATOM 251 N ILE A 16 1.453 -1.787 2.859 1.00 0.00 N ATOM 252 CA ILE A 16 2.000 -1.073 1.706 1.00 0.00 C ATOM 253 C ILE A 16 3.207 -1.814 1.153 1.00 0.00 C ATOM 254 O ILE A 16 3.483 -1.789 -0.045 1.00 0.00 O ATOM 255 CB ILE A 16 2.399 0.342 2.128 1.00 0.00 C ATOM 256 CG1 ILE A 16 1.174 1.080 2.671 1.00 0.00 C ATOM 257 CG2 ILE A 16 2.978 1.087 0.925 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.544 2.455 3.223 1.00 0.00 C ATOM 0 H ILE A 16 1.626 -1.358 3.768 1.00 0.00 H new ATOM 0 HA ILE A 16 1.242 -1.017 0.925 1.00 0.00 H new ATOM 0 HB ILE A 16 3.155 0.293 2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.435 1.193 1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.709 0.485 3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.263 2.096 1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.856 0.556 0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.229 1.141 0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.648 2.949 3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.263 2.340 4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.985 3.059 2.430 1.00 0.00 H new ATOM 270 N SER A 17 3.956 -2.471 2.021 1.00 0.00 N ATOM 271 CA SER A 17 5.177 -3.119 1.546 1.00 0.00 C ATOM 272 C SER A 17 4.866 -4.498 0.984 1.00 0.00 C ATOM 273 O SER A 17 5.727 -5.175 0.426 1.00 0.00 O ATOM 274 CB SER A 17 6.158 -3.239 2.708 1.00 0.00 C ATOM 275 OG SER A 17 7.363 -3.842 2.258 1.00 0.00 O ATOM 0 H SER A 17 3.758 -2.572 3.017 1.00 0.00 H new ATOM 0 HA SER A 17 5.617 -2.518 0.750 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.367 -2.253 3.123 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.718 -3.835 3.507 1.00 0.00 H new ATOM 0 HG SER A 17 7.193 -4.332 1.426 1.00 0.00 H new ATOM 281 N LYS A 18 3.627 -4.933 1.129 1.00 0.00 N ATOM 282 CA LYS A 18 3.279 -6.261 0.629 1.00 0.00 C ATOM 283 C LYS A 18 2.818 -6.151 -0.817 1.00 0.00 C ATOM 284 O LYS A 18 2.736 -7.137 -1.548 1.00 0.00 O ATOM 285 CB LYS A 18 2.176 -6.842 1.510 1.00 0.00 C ATOM 286 CG LYS A 18 1.855 -8.281 1.109 1.00 0.00 C ATOM 287 CD LYS A 18 0.841 -8.917 2.060 1.00 0.00 C ATOM 288 CE LYS A 18 -0.528 -8.249 1.952 1.00 0.00 C ATOM 289 NZ LYS A 18 -1.484 -8.943 2.828 1.00 0.00 N ATOM 0 H LYS A 18 2.868 -4.414 1.570 1.00 0.00 H new ATOM 0 HA LYS A 18 4.145 -6.922 0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.487 -6.813 2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.279 -6.229 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.461 -8.297 0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.771 -8.871 1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.747 -9.979 1.835 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.204 -8.840 3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.455 -7.199 2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.878 -8.277 0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.193 -9.434 2.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.977 -9.636 3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.959 -8.250 3.442 1.00 0.00 H new ATOM 303 N ILE A 19 2.512 -4.940 -1.247 1.00 0.00 N ATOM 304 CA ILE A 19 2.056 -4.773 -2.624 1.00 0.00 C ATOM 305 C ILE A 19 3.215 -5.066 -3.565 1.00 0.00 C ATOM 306 O ILE A 19 4.152 -4.281 -3.702 1.00 0.00 O ATOM 307 CB ILE A 19 1.557 -3.341 -2.824 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.423 -3.056 -1.835 1.00 0.00 C ATOM 309 CG2 ILE A 19 1.073 -3.171 -4.264 1.00 0.00 C ATOM 310 CD1 ILE A 19 -0.163 -1.653 -2.001 1.00 0.00 C ATOM 0 H ILE A 19 2.566 -4.086 -0.692 1.00 0.00 H new ATOM 0 HA ILE A 19 1.238 -5.461 -2.836 1.00 0.00 H new ATOM 0 HB ILE A 19 2.366 -2.634 -2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.367 -3.794 -1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.796 -3.172 -0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.717 -2.151 -4.410 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.896 -3.369 -4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.261 -3.871 -4.460 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.963 -1.504 -1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.618 -0.911 -1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.563 -1.543 -3.009 1.00 0.00 H new ATOM 322 N LYS A 20 3.158 -6.209 -4.226 1.00 0.00 N ATOM 323 CA LYS A 20 4.244 -6.557 -5.138 1.00 0.00 C ATOM 324 C LYS A 20 3.799 -6.294 -6.568 1.00 0.00 C ATOM 325 O LYS A 20 2.629 -6.436 -6.919 1.00 0.00 O ATOM 326 CB LYS A 20 4.590 -8.034 -4.963 1.00 0.00 C ATOM 327 CG LYS A 20 5.024 -8.315 -3.528 1.00 0.00 C ATOM 328 CD LYS A 20 5.376 -9.792 -3.362 1.00 0.00 C ATOM 329 CE LYS A 20 5.841 -10.084 -1.938 1.00 0.00 C ATOM 330 NZ LYS A 20 4.759 -9.801 -0.984 1.00 0.00 N ATOM 0 H LYS A 20 2.404 -6.892 -4.157 1.00 0.00 H new ATOM 0 HA LYS A 20 5.124 -5.953 -4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.725 -8.648 -5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.389 -8.310 -5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.886 -7.698 -3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.224 -8.045 -2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.507 -10.406 -3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.160 -10.065 -4.068 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.147 -11.127 -1.854 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.714 -9.476 -1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.976 -10.247 -0.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.670 -8.773 -0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.864 -10.182 -1.351 1.00 0.00 H new ATOM 344 N LYS A 21 4.738 -5.909 -7.413 1.00 0.00 N ATOM 345 CA LYS A 21 4.370 -5.658 -8.804 1.00 0.00 C ATOM 346 C LYS A 21 3.520 -4.399 -8.874 1.00 0.00 C ATOM 347 O LYS A 21 2.299 -4.437 -8.739 1.00 0.00 O ATOM 348 CB LYS A 21 3.579 -6.847 -9.348 1.00 0.00 C ATOM 349 CG LYS A 21 4.370 -8.155 -9.273 1.00 0.00 C ATOM 350 CD LYS A 21 5.601 -8.124 -10.176 1.00 0.00 C ATOM 351 CE LYS A 21 6.310 -9.474 -10.147 1.00 0.00 C ATOM 352 NZ LYS A 21 7.486 -9.438 -11.028 1.00 0.00 N ATOM 0 H LYS A 21 5.721 -5.767 -7.181 1.00 0.00 H new ATOM 0 HA LYS A 21 5.270 -5.525 -9.405 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.652 -6.953 -8.784 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.301 -6.652 -10.384 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.679 -8.335 -8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.727 -8.986 -9.563 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.306 -7.882 -11.197 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.283 -7.340 -9.847 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.615 -9.713 -9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.627 -10.261 -10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.966 -10.360 -11.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.184 -9.229 -12.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.141 -8.699 -10.702 1.00 0.00 H new ATOM 366 N VAL A 22 4.169 -3.267 -9.088 1.00 0.00 N ATOM 367 CA VAL A 22 3.410 -2.022 -9.182 1.00 0.00 C ATOM 368 C VAL A 22 3.734 -1.343 -10.503 1.00 0.00 C ATOM 369 O VAL A 22 4.870 -1.348 -10.973 1.00 0.00 O ATOM 370 CB VAL A 22 3.765 -1.103 -8.010 1.00 0.00 C ATOM 371 CG1 VAL A 22 3.369 -1.755 -6.689 1.00 0.00 C ATOM 372 CG2 VAL A 22 5.261 -0.793 -7.989 1.00 0.00 C ATOM 0 H VAL A 22 5.179 -3.178 -9.197 1.00 0.00 H new ATOM 0 HA VAL A 22 2.342 -2.238 -9.139 1.00 0.00 H new ATOM 0 HB VAL A 22 3.214 -0.171 -8.139 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.627 -1.091 -5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.295 -1.941 -6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.902 -2.699 -6.575 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.485 -0.139 -7.147 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.823 -1.721 -7.887 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.543 -0.298 -8.918 1.00 0.00 H new ATOM 382 N TRP A 23 2.727 -0.750 -11.118 1.00 0.00 N ATOM 383 CA TRP A 23 2.984 -0.062 -12.379 1.00 0.00 C ATOM 384 C TRP A 23 1.923 1.009 -12.581 1.00 0.00 C ATOM 385 O TRP A 23 0.727 0.770 -12.420 1.00 0.00 O ATOM 386 CB TRP A 23 2.975 -1.069 -13.530 1.00 0.00 C ATOM 387 CG TRP A 23 1.607 -1.683 -13.728 1.00 0.00 C ATOM 388 CD1 TRP A 23 0.615 -1.234 -14.603 1.00 0.00 C ATOM 389 CD2 TRP A 23 1.097 -2.805 -13.126 1.00 0.00 C ATOM 390 NE1 TRP A 23 -0.507 -2.068 -14.539 1.00 0.00 N ATOM 391 CE2 TRP A 23 -0.148 -3.027 -13.604 1.00 0.00 C ATOM 392 CE3 TRP A 23 1.658 -3.607 -12.226 1.00 0.00 C ATOM 393 CZ2 TRP A 23 -0.867 -4.065 -13.185 1.00 0.00 C ATOM 394 CZ3 TRP A 23 0.932 -4.656 -11.794 1.00 0.00 C ATOM 395 CH2 TRP A 23 -0.313 -4.881 -12.268 1.00 0.00 C ATOM 0 H TRP A 23 1.762 -0.726 -10.787 1.00 0.00 H new ATOM 0 HA TRP A 23 3.965 0.413 -12.355 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.287 -0.573 -14.449 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.701 -1.857 -13.330 1.00 0.00 H new ATOM 0 HD1 TRP A 23 0.702 -0.366 -15.239 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -1.382 -1.989 -15.057 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.656 -3.425 -11.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.861 -4.247 -13.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.351 -5.327 -11.058 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.874 -5.730 -11.905 1.00 0.00 H new ATOM 406 N ARG A 24 2.356 2.208 -12.927 1.00 0.00 N ATOM 407 CA ARG A 24 1.385 3.283 -13.112 1.00 0.00 C ATOM 408 C ARG A 24 1.251 3.599 -14.596 1.00 0.00 C ATOM 409 O ARG A 24 2.213 3.934 -15.284 1.00 0.00 O ATOM 410 CB ARG A 24 1.825 4.511 -12.314 1.00 0.00 C ATOM 411 CG ARG A 24 3.240 4.950 -12.691 1.00 0.00 C ATOM 412 CD ARG A 24 3.710 6.108 -11.813 1.00 0.00 C ATOM 413 NE ARG A 24 2.829 7.259 -11.994 1.00 0.00 N ATOM 414 CZ ARG A 24 3.084 8.371 -11.326 1.00 0.00 C ATOM 415 NH1 ARG A 24 4.120 8.431 -10.509 1.00 0.00 N ATOM 416 NH2 ARG A 24 2.302 9.423 -11.476 1.00 0.00 N ATOM 0 H ARG A 24 3.332 2.461 -13.082 1.00 0.00 H new ATOM 0 HA ARG A 24 0.407 2.973 -12.744 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.129 5.331 -12.493 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.785 4.286 -11.248 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.925 4.109 -12.586 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.264 5.251 -13.738 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.714 5.804 -10.766 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.734 6.379 -12.071 1.00 0.00 H new ATOM 0 HE ARG A 24 2.030 7.206 -12.626 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.725 7.618 -10.392 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.315 9.290 -9.995 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.502 9.378 -12.107 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.498 10.281 -10.961 1.00 0.00 H new ATOM 430 N VAL A 25 0.037 3.475 -15.104 1.00 0.00 N ATOM 431 CA VAL A 25 -0.183 3.791 -16.514 1.00 0.00 C ATOM 432 C VAL A 25 -1.472 4.588 -16.634 1.00 0.00 C ATOM 433 O VAL A 25 -2.456 4.334 -15.941 1.00 0.00 O ATOM 434 CB VAL A 25 -0.283 2.509 -17.345 1.00 0.00 C ATOM 435 CG1 VAL A 25 1.055 1.775 -17.358 1.00 0.00 C ATOM 436 CG2 VAL A 25 -1.365 1.585 -16.788 1.00 0.00 C ATOM 0 H VAL A 25 -0.788 3.169 -14.588 1.00 0.00 H new ATOM 0 HA VAL A 25 0.657 4.374 -16.892 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.548 2.791 -18.364 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.966 0.866 -17.953 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.819 2.419 -17.792 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.337 1.514 -16.338 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.418 0.681 -17.394 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.122 1.319 -15.759 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.328 2.096 -16.813 1.00 0.00 H new ATOM 446 N GLY A 26 -1.481 5.565 -17.521 1.00 0.00 N ATOM 447 CA GLY A 26 -2.700 6.350 -17.689 1.00 0.00 C ATOM 448 C GLY A 26 -2.794 7.415 -16.608 1.00 0.00 C ATOM 449 O GLY A 26 -2.363 8.554 -16.783 1.00 0.00 O ATOM 0 H GLY A 26 -0.696 5.831 -18.116 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.706 6.819 -18.673 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.571 5.696 -17.642 1.00 0.00 H new ATOM 453 N LYS A 27 -3.367 7.052 -15.475 1.00 0.00 N ATOM 454 CA LYS A 27 -3.496 8.038 -14.405 1.00 0.00 C ATOM 455 C LYS A 27 -3.605 7.318 -13.070 1.00 0.00 C ATOM 456 O LYS A 27 -2.757 7.454 -12.190 1.00 0.00 O ATOM 457 CB LYS A 27 -4.748 8.882 -14.632 1.00 0.00 C ATOM 458 CG LYS A 27 -4.677 9.619 -15.968 1.00 0.00 C ATOM 459 CD LYS A 27 -5.863 10.566 -16.147 1.00 0.00 C ATOM 460 CE LYS A 27 -7.189 9.809 -16.201 1.00 0.00 C ATOM 461 NZ LYS A 27 -8.283 10.752 -16.472 1.00 0.00 N ATOM 0 H LYS A 27 -3.738 6.124 -15.270 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.620 8.687 -14.401 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.630 8.243 -14.612 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.858 9.602 -13.821 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.747 10.184 -16.024 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.661 8.896 -16.784 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.885 11.280 -15.324 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.735 11.140 -17.064 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.152 9.046 -16.978 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.364 9.294 -15.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.185 10.236 -16.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.322 11.465 -15.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.117 11.224 -17.384 1.00 0.00 H new ATOM 475 N MET A 28 -4.667 6.549 -12.906 1.00 0.00 N ATOM 476 CA MET A 28 -4.844 5.857 -11.634 1.00 0.00 C ATOM 477 C MET A 28 -3.758 4.802 -11.496 1.00 0.00 C ATOM 478 O MET A 28 -3.137 4.385 -12.473 1.00 0.00 O ATOM 479 CB MET A 28 -6.224 5.202 -11.568 1.00 0.00 C ATOM 480 CG MET A 28 -7.351 6.232 -11.639 1.00 0.00 C ATOM 481 SD MET A 28 -7.492 6.902 -13.305 1.00 0.00 S ATOM 482 CE MET A 28 -8.870 8.031 -13.041 1.00 0.00 C ATOM 0 H MET A 28 -5.394 6.389 -13.603 1.00 0.00 H new ATOM 0 HA MET A 28 -4.770 6.574 -10.817 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.328 4.493 -12.389 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.311 4.633 -10.643 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.293 5.769 -11.346 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.159 7.039 -10.932 1.00 0.00 H new ATOM 0 HE1 MET A 28 -9.151 8.490 -13.989 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.720 7.480 -12.639 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.574 8.807 -12.335 1.00 0.00 H new ATOM 492 N ILE A 29 -3.506 4.373 -10.273 1.00 0.00 N ATOM 493 CA ILE A 29 -2.414 3.426 -10.066 1.00 0.00 C ATOM 494 C ILE A 29 -3.008 2.043 -9.856 1.00 0.00 C ATOM 495 O ILE A 29 -3.737 1.789 -8.900 1.00 0.00 O ATOM 496 CB ILE A 29 -1.570 3.824 -8.850 1.00 0.00 C ATOM 497 CG1 ILE A 29 -0.733 5.081 -9.108 1.00 0.00 C ATOM 498 CG2 ILE A 29 -0.601 2.690 -8.523 1.00 0.00 C ATOM 499 CD1 ILE A 29 -1.542 6.374 -9.029 1.00 0.00 C ATOM 0 H ILE A 29 -4.017 4.649 -9.434 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.763 3.428 -10.940 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.261 4.023 -8.031 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.079 5.124 -8.382 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.275 5.007 -10.094 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.003 2.966 -7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.164 1.784 -8.298 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.050 2.510 -9.378 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.888 7.225 -9.222 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.337 6.352 -9.774 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.979 6.470 -8.035 1.00 0.00 H new ATOM 511 N SER A 30 -2.680 1.127 -10.751 1.00 0.00 N ATOM 512 CA SER A 30 -3.161 -0.240 -10.574 1.00 0.00 C ATOM 513 C SER A 30 -2.086 -1.047 -9.863 1.00 0.00 C ATOM 514 O SER A 30 -0.903 -0.717 -9.899 1.00 0.00 O ATOM 515 CB SER A 30 -3.466 -0.848 -11.939 1.00 0.00 C ATOM 516 OG SER A 30 -4.461 -0.077 -12.595 1.00 0.00 O ATOM 0 H SER A 30 -2.106 1.290 -11.578 1.00 0.00 H new ATOM 0 HA SER A 30 -4.072 -0.248 -9.976 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.560 -0.880 -12.544 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.808 -1.876 -11.822 1.00 0.00 H new ATOM 0 HG SER A 30 -4.653 -0.469 -13.472 1.00 0.00 H new ATOM 522 N PHE A 31 -2.489 -2.116 -9.201 1.00 0.00 N ATOM 523 CA PHE A 31 -1.494 -2.905 -8.478 1.00 0.00 C ATOM 524 C PHE A 31 -2.082 -4.254 -8.097 1.00 0.00 C ATOM 525 O PHE A 31 -3.265 -4.527 -8.294 1.00 0.00 O ATOM 526 CB PHE A 31 -1.043 -2.148 -7.227 1.00 0.00 C ATOM 527 CG PHE A 31 -2.189 -1.884 -6.272 1.00 0.00 C ATOM 528 CD1 PHE A 31 -2.479 -2.767 -5.305 1.00 0.00 C ATOM 529 CD2 PHE A 31 -2.896 -0.749 -6.371 1.00 0.00 C ATOM 530 CE1 PHE A 31 -3.482 -2.523 -4.451 1.00 0.00 C ATOM 531 CE2 PHE A 31 -3.899 -0.505 -5.516 1.00 0.00 C ATOM 532 CZ PHE A 31 -4.194 -1.393 -4.556 1.00 0.00 C ATOM 0 H PHE A 31 -3.451 -2.452 -9.145 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.629 -3.070 -9.120 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.271 -2.723 -6.715 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.592 -1.200 -7.521 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.903 -3.676 -5.215 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.657 -0.030 -7.141 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.717 -3.238 -3.677 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.470 0.408 -5.601 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.004 -1.198 -3.869 1.00 0.00 H new ATOM 542 N THR A 32 -1.244 -5.107 -7.535 1.00 0.00 N ATOM 543 CA THR A 32 -1.736 -6.409 -7.093 1.00 0.00 C ATOM 544 C THR A 32 -1.395 -6.576 -5.622 1.00 0.00 C ATOM 545 O THR A 32 -0.420 -6.017 -5.121 1.00 0.00 O ATOM 546 CB THR A 32 -1.071 -7.513 -7.914 1.00 0.00 C ATOM 547 OG1 THR A 32 0.338 -7.422 -7.763 1.00 0.00 O ATOM 548 CG2 THR A 32 -1.428 -7.372 -9.391 1.00 0.00 C ATOM 0 H THR A 32 -0.251 -4.936 -7.375 1.00 0.00 H new ATOM 0 HA THR A 32 -2.815 -6.473 -7.232 1.00 0.00 H new ATOM 0 HB THR A 32 -1.426 -8.480 -7.557 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.555 -6.689 -7.149 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.945 -8.167 -9.959 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.509 -7.444 -9.513 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.085 -6.404 -9.757 1.00 0.00 H new ATOM 556 N TYR A 33 -2.201 -7.341 -4.908 1.00 0.00 N ATOM 557 CA TYR A 33 -1.942 -7.497 -3.479 1.00 0.00 C ATOM 558 C TYR A 33 -2.243 -8.927 -3.061 1.00 0.00 C ATOM 559 O TYR A 33 -3.186 -9.558 -3.536 1.00 0.00 O ATOM 560 CB TYR A 33 -2.804 -6.514 -2.685 1.00 0.00 C ATOM 561 CG TYR A 33 -4.281 -6.804 -2.846 1.00 0.00 C ATOM 562 CD1 TYR A 33 -4.958 -6.308 -3.891 1.00 0.00 C ATOM 563 CD2 TYR A 33 -4.920 -7.542 -1.927 1.00 0.00 C ATOM 564 CE1 TYR A 33 -6.266 -6.562 -4.025 1.00 0.00 C ATOM 565 CE2 TYR A 33 -6.229 -7.795 -2.060 1.00 0.00 C ATOM 566 CZ TYR A 33 -6.902 -7.305 -3.110 1.00 0.00 C ATOM 567 OH TYR A 33 -8.241 -7.566 -3.247 1.00 0.00 O ATOM 0 H TYR A 33 -3.009 -7.847 -5.270 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.893 -7.283 -3.273 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.536 -6.566 -1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.595 -5.497 -3.017 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.448 -5.703 -4.626 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.379 -7.933 -1.078 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.808 -6.167 -4.871 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.741 -8.394 -1.321 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.545 -8.120 -2.498 1.00 0.00 H new ATOM 577 N ASP A 34 -1.441 -9.448 -2.150 1.00 0.00 N ATOM 578 CA ASP A 34 -1.694 -10.806 -1.676 1.00 0.00 C ATOM 579 C ASP A 34 -2.701 -10.740 -0.537 1.00 0.00 C ATOM 580 O ASP A 34 -2.723 -9.786 0.240 1.00 0.00 O ATOM 581 CB ASP A 34 -0.371 -11.404 -1.203 1.00 0.00 C ATOM 582 CG ASP A 34 -0.545 -12.837 -0.730 1.00 0.00 C ATOM 583 OD1 ASP A 34 -0.677 -13.741 -1.583 1.00 0.00 O ATOM 584 OD2 ASP A 34 -0.550 -13.070 0.499 1.00 0.00 O ATOM 0 H ASP A 34 -0.637 -8.977 -1.734 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.102 -11.434 -2.468 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.354 -11.374 -2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.034 -10.799 -0.392 1.00 0.00 H new ATOM 589 N GLU A 35 -3.560 -11.740 -0.433 1.00 0.00 N ATOM 590 CA GLU A 35 -4.577 -11.683 0.614 1.00 0.00 C ATOM 591 C GLU A 35 -4.823 -12.988 1.371 1.00 0.00 C ATOM 592 O GLU A 35 -5.316 -12.923 2.497 1.00 0.00 O ATOM 593 CB GLU A 35 -5.882 -11.126 0.044 1.00 0.00 C ATOM 594 CG GLU A 35 -6.478 -12.027 -1.034 1.00 0.00 C ATOM 595 CD GLU A 35 -7.781 -11.445 -1.556 1.00 0.00 C ATOM 596 OE1 GLU A 35 -8.862 -11.583 -0.986 1.00 0.00 O ATOM 597 OE2 GLU A 35 -7.600 -10.756 -2.726 1.00 0.00 O ATOM 0 H GLU A 35 -3.581 -12.568 -1.029 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.172 -11.010 1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.604 -11.003 0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.699 -10.136 -0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.769 -12.140 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.655 -13.022 -0.627 1.00 0.00 H new ATOM 605 N GLY A 36 -4.525 -14.186 0.885 1.00 0.00 N ATOM 606 CA GLY A 36 -3.942 -14.380 -0.442 1.00 0.00 C ATOM 607 C GLY A 36 -3.856 -15.872 -0.720 1.00 0.00 C ATOM 608 O GLY A 36 -4.858 -16.547 -0.944 1.00 0.00 O ATOM 0 H GLY A 36 -4.680 -15.054 1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.553 -13.889 -1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.951 -13.928 -0.490 1.00 0.00 H new ATOM 612 N GLY A 37 -2.649 -16.405 -0.688 1.00 0.00 N ATOM 613 CA GLY A 37 -2.508 -17.847 -0.878 1.00 0.00 C ATOM 614 C GLY A 37 -2.360 -18.178 -2.354 1.00 0.00 C ATOM 615 O GLY A 37 -1.290 -18.558 -2.830 1.00 0.00 O ATOM 0 H GLY A 37 -1.781 -15.891 -0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.638 -18.209 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.379 -18.360 -0.470 1.00 0.00 H new ATOM 619 N GLY A 38 -3.442 -18.045 -3.096 1.00 0.00 N ATOM 620 CA GLY A 38 -3.365 -18.369 -4.517 1.00 0.00 C ATOM 621 C GLY A 38 -4.525 -17.726 -5.258 1.00 0.00 C ATOM 622 O GLY A 38 -5.255 -18.375 -6.008 1.00 0.00 O ATOM 0 H GLY A 38 -4.352 -17.729 -2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.419 -18.016 -4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.389 -19.450 -4.654 1.00 0.00 H new ATOM 626 N LYS A 39 -4.702 -16.434 -5.052 1.00 0.00 N ATOM 627 CA LYS A 39 -5.788 -15.746 -5.745 1.00 0.00 C ATOM 628 C LYS A 39 -5.253 -14.443 -6.316 1.00 0.00 C ATOM 629 O LYS A 39 -5.601 -14.037 -7.423 1.00 0.00 O ATOM 630 CB LYS A 39 -6.920 -15.469 -4.760 1.00 0.00 C ATOM 631 CG LYS A 39 -7.459 -16.778 -4.190 1.00 0.00 C ATOM 632 CD LYS A 39 -8.591 -16.503 -3.203 1.00 0.00 C ATOM 633 CE LYS A 39 -9.166 -17.807 -2.657 1.00 0.00 C ATOM 634 NZ LYS A 39 -8.130 -18.547 -1.921 1.00 0.00 N ATOM 0 H LYS A 39 -4.134 -15.853 -4.435 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.173 -16.364 -6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.560 -14.833 -3.951 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.721 -14.925 -5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.820 -17.413 -4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.657 -17.322 -3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.221 -15.891 -2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.378 -15.932 -3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.009 -17.595 -1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.547 -18.417 -3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.576 -19.290 -1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.469 -18.982 -2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.611 -17.893 -1.300 1.00 0.00 H new ATOM 648 N THR A 40 -4.392 -13.791 -5.552 1.00 0.00 N ATOM 649 CA THR A 40 -3.790 -12.549 -6.037 1.00 0.00 C ATOM 650 C THR A 40 -4.876 -11.561 -6.434 1.00 0.00 C ATOM 651 O THR A 40 -5.282 -11.475 -7.592 1.00 0.00 O ATOM 652 CB THR A 40 -2.871 -12.860 -7.218 1.00 0.00 C ATOM 653 OG1 THR A 40 -1.906 -13.821 -6.814 1.00 0.00 O ATOM 654 CG2 THR A 40 -2.151 -11.597 -7.682 1.00 0.00 C ATOM 0 H THR A 40 -4.097 -14.085 -4.621 1.00 0.00 H new ATOM 0 HA THR A 40 -3.198 -12.094 -5.243 1.00 0.00 H new ATOM 0 HB THR A 40 -3.472 -13.247 -8.041 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.314 -14.027 -7.567 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.501 -11.837 -8.523 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.885 -10.853 -7.991 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.552 -11.198 -6.863 1.00 0.00 H new ATOM 662 N GLY A 41 -5.358 -10.801 -5.469 1.00 0.00 N ATOM 663 CA GLY A 41 -6.411 -9.841 -5.791 1.00 0.00 C ATOM 664 C GLY A 41 -5.856 -8.725 -6.662 1.00 0.00 C ATOM 665 O GLY A 41 -4.652 -8.621 -6.893 1.00 0.00 O ATOM 0 H GLY A 41 -5.058 -10.820 -4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.227 -10.345 -6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.826 -9.424 -4.873 1.00 0.00 H new ATOM 669 N ARG A 42 -6.737 -7.875 -7.155 1.00 0.00 N ATOM 670 CA ARG A 42 -6.266 -6.785 -8.006 1.00 0.00 C ATOM 671 C ARG A 42 -7.268 -5.643 -7.947 1.00 0.00 C ATOM 672 O ARG A 42 -8.477 -5.846 -7.858 1.00 0.00 O ATOM 673 CB ARG A 42 -6.122 -7.300 -9.437 1.00 0.00 C ATOM 674 CG ARG A 42 -5.636 -6.195 -10.373 1.00 0.00 C ATOM 675 CD ARG A 42 -5.405 -6.741 -11.779 1.00 0.00 C ATOM 676 NE ARG A 42 -6.661 -7.245 -12.332 1.00 0.00 N ATOM 677 CZ ARG A 42 -6.666 -7.748 -13.553 1.00 0.00 C ATOM 678 NH1 ARG A 42 -5.549 -7.793 -14.255 1.00 0.00 N ATOM 679 NH2 ARG A 42 -7.789 -8.208 -14.071 1.00 0.00 N ATOM 0 H ARG A 42 -7.744 -7.908 -6.994 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.297 -6.422 -7.662 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.420 -8.133 -9.458 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.081 -7.682 -9.787 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.371 -5.391 -10.406 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.711 -5.766 -9.988 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.004 -5.957 -12.421 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.664 -7.540 -11.751 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.520 -7.209 -11.783 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.680 -7.439 -13.854 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.555 -8.182 -15.198 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.652 -8.175 -13.528 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.794 -8.597 -15.014 1.00 0.00 H new ATOM 693 N GLY A 43 -6.768 -4.422 -7.997 1.00 0.00 N ATOM 694 CA GLY A 43 -7.685 -3.287 -7.948 1.00 0.00 C ATOM 695 C GLY A 43 -6.968 -2.024 -8.396 1.00 0.00 C ATOM 696 O GLY A 43 -5.979 -2.067 -9.127 1.00 0.00 O ATOM 0 H GLY A 43 -5.777 -4.190 -8.068 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.545 -3.475 -8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.066 -3.160 -6.935 1.00 0.00 H new ATOM 700 N ALA A 44 -7.460 -0.880 -7.960 1.00 0.00 N ATOM 701 CA ALA A 44 -6.802 0.362 -8.355 1.00 0.00 C ATOM 702 C ALA A 44 -7.259 1.488 -7.443 1.00 0.00 C ATOM 703 O ALA A 44 -8.220 1.361 -6.686 1.00 0.00 O ATOM 704 CB ALA A 44 -7.158 0.686 -9.804 1.00 0.00 C ATOM 0 H ALA A 44 -8.277 -0.778 -7.358 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.721 0.249 -8.269 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.668 1.613 -10.101 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.823 -0.125 -10.451 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.238 0.801 -9.896 1.00 0.00 H new ATOM 710 N VAL A 45 -6.569 2.611 -7.513 1.00 0.00 N ATOM 711 CA VAL A 45 -6.978 3.741 -6.684 1.00 0.00 C ATOM 712 C VAL A 45 -6.443 5.017 -7.315 1.00 0.00 C ATOM 713 O VAL A 45 -5.281 5.110 -7.709 1.00 0.00 O ATOM 714 CB VAL A 45 -6.461 3.545 -5.256 1.00 0.00 C ATOM 715 CG1 VAL A 45 -4.936 3.469 -5.227 1.00 0.00 C ATOM 716 CG2 VAL A 45 -6.931 4.692 -4.366 1.00 0.00 C ATOM 0 H VAL A 45 -5.755 2.769 -8.107 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.064 3.811 -6.628 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.862 2.603 -4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.598 3.330 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.602 2.629 -5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.518 4.394 -5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.558 4.543 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.551 5.636 -4.757 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.021 4.718 -4.351 1.00 0.00 H new ATOM 726 N SER A 46 -7.297 6.014 -7.443 1.00 0.00 N ATOM 727 CA SER A 46 -6.844 7.245 -8.080 1.00 0.00 C ATOM 728 C SER A 46 -5.890 7.972 -7.146 1.00 0.00 C ATOM 729 O SER A 46 -5.955 7.844 -5.924 1.00 0.00 O ATOM 730 CB SER A 46 -8.054 8.118 -8.398 1.00 0.00 C ATOM 731 OG SER A 46 -8.929 7.421 -9.273 1.00 0.00 O ATOM 0 H SER A 46 -8.268 6.006 -7.131 1.00 0.00 H new ATOM 0 HA SER A 46 -6.320 7.018 -9.008 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.577 8.381 -7.478 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.730 9.051 -8.859 1.00 0.00 H new ATOM 0 HG SER A 46 -9.706 7.983 -9.474 1.00 0.00 H new ATOM 737 N GLU A 47 -4.988 8.748 -7.718 1.00 0.00 N ATOM 738 CA GLU A 47 -4.012 9.439 -6.877 1.00 0.00 C ATOM 739 C GLU A 47 -4.633 10.677 -6.244 1.00 0.00 C ATOM 740 O GLU A 47 -4.078 11.275 -5.323 1.00 0.00 O ATOM 741 CB GLU A 47 -2.798 9.829 -7.720 1.00 0.00 C ATOM 742 CG GLU A 47 -3.187 10.760 -8.866 1.00 0.00 C ATOM 743 CD GLU A 47 -1.962 11.128 -9.687 1.00 0.00 C ATOM 744 OE1 GLU A 47 -1.193 12.015 -9.257 1.00 0.00 O ATOM 745 OE2 GLU A 47 -1.761 10.534 -10.768 1.00 0.00 O ATOM 0 H GLU A 47 -4.905 8.916 -8.721 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.696 8.769 -6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.057 10.319 -7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.330 8.931 -8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.927 10.275 -9.502 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.651 11.663 -8.469 1.00 0.00 H new ATOM 752 N LYS A 48 -5.796 11.076 -6.727 1.00 0.00 N ATOM 753 CA LYS A 48 -6.426 12.261 -6.150 1.00 0.00 C ATOM 754 C LYS A 48 -6.913 11.951 -4.742 1.00 0.00 C ATOM 755 O LYS A 48 -6.929 12.813 -3.865 1.00 0.00 O ATOM 756 CB LYS A 48 -7.599 12.684 -7.032 1.00 0.00 C ATOM 757 CG LYS A 48 -8.329 13.879 -6.419 1.00 0.00 C ATOM 758 CD LYS A 48 -9.556 14.270 -7.242 1.00 0.00 C ATOM 759 CE LYS A 48 -9.167 14.807 -8.618 1.00 0.00 C ATOM 760 NZ LYS A 48 -10.375 15.237 -9.339 1.00 0.00 N ATOM 0 H LYS A 48 -6.309 10.624 -7.484 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.702 13.074 -6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.238 12.943 -8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.291 11.850 -7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.635 13.637 -5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.648 14.728 -6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.206 13.403 -7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.128 15.026 -6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.477 15.644 -8.511 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.647 14.036 -9.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.109 15.602 -10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.018 14.427 -9.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.854 15.986 -8.799 1.00 0.00 H new ATOM 774 N ASP A 49 -7.317 10.714 -4.513 1.00 0.00 N ATOM 775 CA ASP A 49 -7.788 10.357 -3.177 1.00 0.00 C ATOM 776 C ASP A 49 -6.981 9.178 -2.660 1.00 0.00 C ATOM 777 O ASP A 49 -7.523 8.132 -2.305 1.00 0.00 O ATOM 778 CB ASP A 49 -9.267 9.990 -3.248 1.00 0.00 C ATOM 779 CG ASP A 49 -10.088 11.164 -3.756 1.00 0.00 C ATOM 780 OD1 ASP A 49 -10.358 12.096 -2.969 1.00 0.00 O ATOM 781 OD2 ASP A 49 -10.469 11.161 -4.948 1.00 0.00 O ATOM 0 H ASP A 49 -7.332 9.962 -5.202 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.661 11.201 -2.499 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.403 9.133 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.621 9.692 -2.261 1.00 0.00 H new ATOM 786 N ALA A 50 -5.671 9.341 -2.612 1.00 0.00 N ATOM 787 CA ALA A 50 -4.837 8.247 -2.116 1.00 0.00 C ATOM 788 C ALA A 50 -4.088 8.731 -0.879 1.00 0.00 C ATOM 789 O ALA A 50 -3.840 9.927 -0.736 1.00 0.00 O ATOM 790 CB ALA A 50 -3.850 7.853 -3.213 1.00 0.00 C ATOM 0 H ALA A 50 -5.171 10.183 -2.897 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.445 7.382 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.219 7.037 -2.859 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.399 7.530 -4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.226 8.710 -3.466 1.00 0.00 H new ATOM 796 N PRO A 51 -3.703 7.845 0.033 1.00 0.00 N ATOM 797 CA PRO A 51 -2.966 8.249 1.225 1.00 0.00 C ATOM 798 C PRO A 51 -1.741 9.083 0.873 1.00 0.00 C ATOM 799 O PRO A 51 -1.123 8.914 -0.177 1.00 0.00 O ATOM 800 CB PRO A 51 -2.584 6.896 1.824 1.00 0.00 C ATOM 801 CG PRO A 51 -3.674 5.937 1.346 1.00 0.00 C ATOM 802 CD PRO A 51 -4.012 6.420 -0.062 1.00 0.00 C ATOM 0 HA PRO A 51 -3.534 8.885 1.904 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.599 6.577 1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.546 6.941 2.912 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.321 4.906 1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.547 5.970 1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.411 5.920 -0.822 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.057 6.244 -0.316 1.00 0.00 H new ATOM 810 N LYS A 52 -1.390 10.010 1.745 1.00 0.00 N ATOM 811 CA LYS A 52 -0.293 10.915 1.406 1.00 0.00 C ATOM 812 C LYS A 52 1.046 10.223 1.610 1.00 0.00 C ATOM 813 O LYS A 52 2.048 10.563 0.981 1.00 0.00 O ATOM 814 CB LYS A 52 -0.388 12.159 2.286 1.00 0.00 C ATOM 815 CG LYS A 52 0.700 13.165 1.922 1.00 0.00 C ATOM 816 CD LYS A 52 0.593 13.553 0.451 1.00 0.00 C ATOM 817 CE LYS A 52 1.682 14.557 0.084 1.00 0.00 C ATOM 818 NZ LYS A 52 1.568 14.917 -1.337 1.00 0.00 N ATOM 0 H LYS A 52 -1.823 10.159 2.657 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.368 11.203 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.369 12.619 2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.292 11.876 3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.607 14.053 2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.682 12.736 2.121 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.684 12.664 -0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.389 13.983 0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.591 15.449 0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.665 14.130 0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.312 15.601 -1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.676 14.063 -1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.635 15.342 -1.514 1.00 0.00 H new ATOM 832 N GLU A 53 1.086 9.245 2.495 1.00 0.00 N ATOM 833 CA GLU A 53 2.365 8.587 2.758 1.00 0.00 C ATOM 834 C GLU A 53 2.726 7.662 1.605 1.00 0.00 C ATOM 835 O GLU A 53 3.882 7.288 1.417 1.00 0.00 O ATOM 836 CB GLU A 53 2.270 7.789 4.056 1.00 0.00 C ATOM 837 CG GLU A 53 1.983 8.708 5.240 1.00 0.00 C ATOM 838 CD GLU A 53 1.937 7.911 6.535 1.00 0.00 C ATOM 839 OE1 GLU A 53 2.986 7.369 6.945 1.00 0.00 O ATOM 840 OE2 GLU A 53 0.852 7.825 7.149 1.00 0.00 O ATOM 0 H GLU A 53 0.289 8.895 3.027 1.00 0.00 H new ATOM 0 HA GLU A 53 3.143 9.344 2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.481 7.041 3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.202 7.251 4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.753 9.476 5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.033 9.221 5.088 1.00 0.00 H new ATOM 847 N LEU A 54 1.739 7.279 0.816 1.00 0.00 N ATOM 848 CA LEU A 54 2.039 6.396 -0.308 1.00 0.00 C ATOM 849 C LEU A 54 2.673 7.235 -1.412 1.00 0.00 C ATOM 850 O LEU A 54 3.525 6.774 -2.170 1.00 0.00 O ATOM 851 CB LEU A 54 0.731 5.729 -0.748 1.00 0.00 C ATOM 852 CG LEU A 54 0.928 4.401 -1.485 1.00 0.00 C ATOM 853 CD1 LEU A 54 -0.429 3.714 -1.614 1.00 0.00 C ATOM 854 CD2 LEU A 54 1.507 4.588 -2.885 1.00 0.00 C ATOM 0 H LEU A 54 0.761 7.548 0.920 1.00 0.00 H new ATOM 0 HA LEU A 54 2.743 5.607 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.109 5.557 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.185 6.415 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 54 1.635 3.804 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.308 2.765 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.840 3.531 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.109 4.354 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.626 3.615 -3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.831 5.203 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.478 5.079 -2.815 1.00 0.00 H new ATOM 866 N LEU A 55 2.279 8.493 -1.502 1.00 0.00 N ATOM 867 CA LEU A 55 2.858 9.340 -2.542 1.00 0.00 C ATOM 868 C LEU A 55 4.308 9.650 -2.201 1.00 0.00 C ATOM 869 O LEU A 55 5.155 9.815 -3.076 1.00 0.00 O ATOM 870 CB LEU A 55 2.062 10.641 -2.644 1.00 0.00 C ATOM 871 CG LEU A 55 0.592 10.398 -2.990 1.00 0.00 C ATOM 872 CD1 LEU A 55 -0.158 11.725 -2.936 1.00 0.00 C ATOM 873 CD2 LEU A 55 0.451 9.804 -4.390 1.00 0.00 C ATOM 0 H LEU A 55 1.590 8.941 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 55 2.818 8.818 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.126 11.178 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.511 11.280 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 55 0.177 9.694 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.207 11.560 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.082 12.145 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.278 12.419 -3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.604 9.641 -4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.873 10.493 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.983 8.854 -4.437 1.00 0.00 H new ATOM 885 N GLN A 56 4.612 9.733 -0.918 1.00 0.00 N ATOM 886 CA GLN A 56 5.992 10.031 -0.540 1.00 0.00 C ATOM 887 C GLN A 56 6.846 8.780 -0.684 1.00 0.00 C ATOM 888 O GLN A 56 8.068 8.845 -0.813 1.00 0.00 O ATOM 889 CB GLN A 56 6.032 10.529 0.903 1.00 0.00 C ATOM 890 CG GLN A 56 5.250 11.833 1.049 1.00 0.00 C ATOM 891 CD GLN A 56 5.323 12.340 2.480 1.00 0.00 C ATOM 892 OE1 GLN A 56 4.923 11.667 3.428 1.00 0.00 O ATOM 893 NE2 GLN A 56 5.839 13.543 2.650 1.00 0.00 N ATOM 0 H GLN A 56 3.958 9.606 -0.146 1.00 0.00 H new ATOM 0 HA GLN A 56 6.387 10.807 -1.196 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.612 9.772 1.565 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.066 10.684 1.211 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.654 12.584 0.370 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.210 11.674 0.766 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.162 14.078 1.844 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.914 13.938 3.587 1.00 0.00 H new ATOM 902 N MET A 57 6.212 7.621 -0.675 1.00 0.00 N ATOM 903 CA MET A 57 6.986 6.397 -0.869 1.00 0.00 C ATOM 904 C MET A 57 7.408 6.308 -2.328 1.00 0.00 C ATOM 905 O MET A 57 8.452 5.751 -2.665 1.00 0.00 O ATOM 906 CB MET A 57 6.132 5.194 -0.477 1.00 0.00 C ATOM 907 CG MET A 57 6.919 3.894 -0.622 1.00 0.00 C ATOM 908 SD MET A 57 5.889 2.511 -0.108 1.00 0.00 S ATOM 909 CE MET A 57 7.058 1.171 -0.380 1.00 0.00 C ATOM 0 H MET A 57 5.208 7.496 -0.542 1.00 0.00 H new ATOM 0 HA MET A 57 7.878 6.407 -0.243 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.792 5.305 0.553 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.241 5.156 -1.104 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.236 3.761 -1.657 1.00 0.00 H new ATOM 0 HG3 MET A 57 7.823 3.934 -0.015 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.592 0.222 -0.113 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.349 1.150 -1.430 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.942 1.328 0.238 1.00 0.00 H new ATOM 919 N LEU A 58 6.597 6.873 -3.206 1.00 0.00 N ATOM 920 CA LEU A 58 6.987 6.920 -4.614 1.00 0.00 C ATOM 921 C LEU A 58 6.754 8.341 -5.107 1.00 0.00 C ATOM 922 O LEU A 58 5.706 8.646 -5.675 1.00 0.00 O ATOM 923 CB LEU A 58 6.113 5.959 -5.421 1.00 0.00 C ATOM 924 CG LEU A 58 6.284 4.502 -4.992 1.00 0.00 C ATOM 925 CD1 LEU A 58 5.265 3.641 -5.734 1.00 0.00 C ATOM 926 CD2 LEU A 58 7.689 3.998 -5.316 1.00 0.00 C ATOM 0 H LEU A 58 5.694 7.293 -2.986 1.00 0.00 H new ATOM 0 HA LEU A 58 8.032 6.632 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.067 6.246 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.358 6.053 -6.479 1.00 0.00 H new ATOM 0 HG LEU A 58 6.129 4.437 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.381 2.600 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.258 3.979 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.428 3.729 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.785 2.959 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.862 4.069 -6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.424 4.606 -4.789 1.00 0.00 H new ATOM 938 N GLU A 59 7.696 9.246 -4.893 1.00 0.00 N ATOM 939 CA GLU A 59 8.945 8.865 -4.235 1.00 0.00 C ATOM 940 C GLU A 59 9.856 10.079 -4.155 1.00 0.00 C ATOM 941 O GLU A 59 9.466 11.202 -4.473 1.00 0.00 O ATOM 942 CB GLU A 59 9.623 7.743 -5.026 1.00 0.00 C ATOM 943 CG GLU A 59 9.934 8.176 -6.458 1.00 0.00 C ATOM 944 CD GLU A 59 10.603 7.044 -7.219 1.00 0.00 C ATOM 945 OE1 GLU A 59 9.906 6.081 -7.605 1.00 0.00 O ATOM 946 OE2 GLU A 59 11.833 7.110 -7.436 1.00 0.00 O ATOM 0 H GLU A 59 7.628 10.229 -5.157 1.00 0.00 H new ATOM 0 HA GLU A 59 8.738 8.505 -3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.546 7.449 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.976 6.866 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.014 8.469 -6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.585 9.050 -6.447 1.00 0.00 H new ATOM 953 N LYS A 60 11.087 9.854 -3.735 1.00 0.00 N ATOM 954 CA LYS A 60 12.045 10.956 -3.721 1.00 0.00 C ATOM 955 C LYS A 60 13.310 10.507 -4.434 1.00 0.00 C ATOM 956 O LYS A 60 13.605 9.317 -4.539 1.00 0.00 O ATOM 957 CB LYS A 60 12.298 11.439 -2.288 1.00 0.00 C ATOM 958 CG LYS A 60 12.572 10.334 -1.261 1.00 0.00 C ATOM 959 CD LYS A 60 13.960 9.709 -1.401 1.00 0.00 C ATOM 960 CE LYS A 60 14.239 8.760 -0.239 1.00 0.00 C ATOM 961 NZ LYS A 60 13.262 7.661 -0.238 1.00 0.00 N ATOM 0 H LYS A 60 11.443 8.955 -3.409 1.00 0.00 H new ATOM 0 HA LYS A 60 11.645 11.818 -4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.148 12.122 -2.297 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.432 12.012 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.466 10.746 -0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.818 9.554 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 60 14.028 9.168 -2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.717 10.493 -1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.249 8.359 -0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.188 9.303 0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.583 6.911 0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.338 8.018 0.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.173 7.275 -1.200 1.00 0.00 H new ATOM 975 N GLN A 61 14.054 11.461 -4.965 1.00 0.00 N ATOM 976 CA GLN A 61 15.252 11.090 -5.714 1.00 0.00 C ATOM 977 C GLN A 61 16.412 11.953 -5.244 1.00 0.00 C ATOM 978 O GLN A 61 16.250 12.882 -4.454 1.00 0.00 O ATOM 979 CB GLN A 61 15.011 11.302 -7.208 1.00 0.00 C ATOM 980 CG GLN A 61 13.889 10.401 -7.721 1.00 0.00 C ATOM 981 CD GLN A 61 13.683 10.604 -9.213 1.00 0.00 C ATOM 982 OE1 GLN A 61 14.394 10.047 -10.048 1.00 0.00 O ATOM 983 NE2 GLN A 61 12.698 11.410 -9.564 1.00 0.00 N ATOM 0 H GLN A 61 13.866 12.461 -4.900 1.00 0.00 H new ATOM 0 HA GLN A 61 15.487 10.039 -5.544 1.00 0.00 H new ATOM 0 HB2 GLN A 61 14.756 12.345 -7.393 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.928 11.095 -7.760 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.132 9.358 -7.520 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.965 10.621 -7.187 1.00 0.00 H new ATOM 0 HE21 GLN A 61 12.126 11.857 -8.848 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.509 11.585 -10.551 1.00 0.00 H new ATOM 992 N LYS A 62 17.603 11.650 -5.727 1.00 0.00 N ATOM 993 CA LYS A 62 18.755 12.439 -5.299 1.00 0.00 C ATOM 994 C LYS A 62 19.965 12.068 -6.141 1.00 0.00 C ATOM 995 O LYS A 62 21.097 12.438 -5.762 1.00 0.00 O ATOM 996 CB LYS A 62 19.040 12.235 -3.807 1.00 0.00 C ATOM 997 CG LYS A 62 19.687 10.890 -3.462 1.00 0.00 C ATOM 998 CD LYS A 62 18.735 9.706 -3.624 1.00 0.00 C ATOM 999 CE LYS A 62 19.382 8.422 -3.111 1.00 0.00 C ATOM 1000 NZ LYS A 62 20.587 8.116 -3.895 1.00 0.00 N ATOM 1001 OXT LYS A 62 19.791 11.405 -7.186 1.00 0.00 O ATOM 0 H LYS A 62 17.800 10.898 -6.387 1.00 0.00 H new ATOM 0 HA LYS A 62 18.532 13.496 -5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 62 19.693 13.037 -3.462 1.00 0.00 H new ATOM 0 HB3 LYS A 62 18.104 12.326 -3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 62 20.557 10.738 -4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 62 20.047 10.920 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.811 9.898 -3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 62 18.466 9.590 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 62 19.642 8.532 -2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.674 7.596 -3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.895 7.143 -3.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.374 8.209 -4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 21.346 8.779 -3.638 1.00 0.00 H new TER 1015 LYS A 62