USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 516 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 Single : A 1 MET CE :methyl 159:sc= -0.182 (180deg=-0.714) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.33 (180deg=1.18) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -73:sc= 0.572 USER MOD Single : A 12 LYS NZ :NH3+ -172:sc=-0.00387 (180deg=-0.0876) USER MOD Single : A 13 MET CE :methyl 152:sc= -2.74! (180deg=-2.96!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc=-0.00213 (180deg=-0.0816) USER MOD Single : A 28 ASN : amide:sc= -0.0523 K(o=-0.052,f=-0.78) USER MOD Single : A 29 THR OG1 : rot 67:sc= 0.686 USER MOD Single : A 31 ASN : amide:sc= 0.377 K(o=0.38,f=-8.1!) USER MOD Single : A 32 TYR OH : rot 30:sc= -0.168 USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.58! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 1.05 (180deg=1.05) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.0867 X(o=-0.087,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0845 X(o=-0.085,f=-0.088) USER MOD Single : A 60 HIS : no HD1:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 61 HIS : no HD1:sc=-0.000903 X(o=-0.0009,f=-0.059) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.304 -12.507 -1.776 1.00 33.43 N ATOM 2 CA MET A 1 11.794 -12.323 -0.390 1.00 5.55 C ATOM 3 C MET A 1 10.621 -12.288 0.585 1.00 53.13 C ATOM 4 O MET A 1 10.622 -12.987 1.601 1.00 53.04 O ATOM 5 CB MET A 1 12.602 -11.024 -0.284 1.00 72.32 C ATOM 6 CG MET A 1 13.254 -10.810 1.075 1.00 15.34 C ATOM 7 SD MET A 1 14.494 -12.067 1.460 1.00 31.44 S ATOM 8 CE MET A 1 15.670 -11.801 0.132 1.00 2.22 C ATOM 0 H1 MET A 1 12.086 -12.831 -2.381 1.00 33.43 H new ATOM 0 H2 MET A 1 10.543 -13.216 -1.784 1.00 33.43 H new ATOM 0 H3 MET A 1 10.938 -11.603 -2.138 1.00 33.43 H new ATOM 0 HA MET A 1 12.439 -13.163 -0.134 1.00 5.55 H new ATOM 0 HB2 MET A 1 13.377 -11.026 -1.051 1.00 72.32 H new ATOM 0 HB3 MET A 1 11.945 -10.181 -0.497 1.00 72.32 H new ATOM 0 HG2 MET A 1 13.721 -9.826 1.098 1.00 15.34 H new ATOM 0 HG3 MET A 1 12.485 -10.816 1.847 1.00 15.34 H new ATOM 0 HE1 MET A 1 16.639 -12.211 0.417 1.00 2.22 H new ATOM 0 HE2 MET A 1 15.317 -12.298 -0.772 1.00 2.22 H new ATOM 0 HE3 MET A 1 15.770 -10.732 -0.057 1.00 2.22 H new ATOM 20 N GLY A 2 9.622 -11.478 0.261 1.00 53.25 N ATOM 21 CA GLY A 2 8.435 -11.385 1.088 1.00 22.23 C ATOM 22 C GLY A 2 7.455 -10.357 0.560 1.00 55.44 C ATOM 23 O GLY A 2 6.533 -9.954 1.266 1.00 1.03 O ATOM 0 H GLY A 2 9.613 -10.880 -0.565 1.00 53.25 H new ATOM 0 HA2 GLY A 2 7.948 -12.359 1.135 1.00 22.23 H new ATOM 0 HA3 GLY A 2 8.722 -11.123 2.106 1.00 22.23 H new ATOM 27 N GLU A 3 7.648 -9.944 -0.687 1.00 11.31 N ATOM 28 CA GLU A 3 6.822 -8.910 -1.294 1.00 60.33 C ATOM 29 C GLU A 3 5.418 -9.436 -1.571 1.00 22.25 C ATOM 30 O GLU A 3 5.248 -10.564 -2.051 1.00 73.33 O ATOM 31 CB GLU A 3 7.451 -8.408 -2.600 1.00 22.20 C ATOM 32 CG GLU A 3 8.936 -8.086 -2.493 1.00 61.40 C ATOM 33 CD GLU A 3 9.820 -9.259 -2.873 1.00 15.14 C ATOM 34 OE1 GLU A 3 9.918 -10.229 -2.087 1.00 61.43 O ATOM 35 OE2 GLU A 3 10.430 -9.217 -3.963 1.00 42.12 O ATOM 0 H GLU A 3 8.375 -10.313 -1.300 1.00 11.31 H new ATOM 0 HA GLU A 3 6.758 -8.079 -0.591 1.00 60.33 H new ATOM 0 HB2 GLU A 3 7.309 -9.164 -3.373 1.00 22.20 H new ATOM 0 HB3 GLU A 3 6.919 -7.514 -2.927 1.00 22.20 H new ATOM 0 HG2 GLU A 3 9.167 -7.239 -3.139 1.00 61.40 H new ATOM 0 HG3 GLU A 3 9.164 -7.780 -1.472 1.00 61.40 H new ATOM 42 N LEU A 4 4.420 -8.625 -1.264 1.00 33.31 N ATOM 43 CA LEU A 4 3.036 -8.989 -1.511 1.00 54.33 C ATOM 44 C LEU A 4 2.584 -8.476 -2.871 1.00 3.24 C ATOM 45 O LEU A 4 3.309 -7.739 -3.544 1.00 12.31 O ATOM 46 CB LEU A 4 2.128 -8.439 -0.409 1.00 32.51 C ATOM 47 CG LEU A 4 2.341 -9.058 0.972 1.00 71.45 C ATOM 48 CD1 LEU A 4 1.388 -8.441 1.979 1.00 74.41 C ATOM 49 CD2 LEU A 4 2.154 -10.566 0.918 1.00 41.13 C ATOM 0 H LEU A 4 4.544 -7.705 -0.841 1.00 33.31 H new ATOM 0 HA LEU A 4 2.964 -10.077 -1.507 1.00 54.33 H new ATOM 0 HB2 LEU A 4 2.282 -7.362 -0.336 1.00 32.51 H new ATOM 0 HB3 LEU A 4 1.090 -8.593 -0.704 1.00 32.51 H new ATOM 0 HG LEU A 4 3.363 -8.851 1.288 1.00 71.45 H new ATOM 0 HD11 LEU A 4 1.551 -8.892 2.958 1.00 74.41 H new ATOM 0 HD12 LEU A 4 1.567 -7.368 2.039 1.00 74.41 H new ATOM 0 HD13 LEU A 4 0.360 -8.620 1.664 1.00 74.41 H new ATOM 0 HD21 LEU A 4 2.310 -10.988 1.911 1.00 41.13 H new ATOM 0 HD22 LEU A 4 1.143 -10.795 0.581 1.00 41.13 H new ATOM 0 HD23 LEU A 4 2.875 -10.997 0.223 1.00 41.13 H new ATOM 61 N SER A 5 1.388 -8.868 -3.271 1.00 2.14 N ATOM 62 CA SER A 5 0.856 -8.483 -4.565 1.00 12.31 C ATOM 63 C SER A 5 0.136 -7.145 -4.482 1.00 33.40 C ATOM 64 O SER A 5 -0.875 -7.020 -3.796 1.00 24.42 O ATOM 65 CB SER A 5 -0.098 -9.566 -5.070 1.00 24.42 C ATOM 66 OG SER A 5 0.548 -10.829 -5.123 1.00 33.12 O ATOM 0 H SER A 5 0.765 -9.455 -2.716 1.00 2.14 H new ATOM 0 HA SER A 5 1.685 -8.376 -5.264 1.00 12.31 H new ATOM 0 HB2 SER A 5 -0.967 -9.625 -4.414 1.00 24.42 H new ATOM 0 HB3 SER A 5 -0.465 -9.299 -6.061 1.00 24.42 H new ATOM 0 HG SER A 5 -0.083 -11.506 -5.447 1.00 33.12 H new ATOM 72 N TRP A 6 0.666 -6.151 -5.174 1.00 32.32 N ATOM 73 CA TRP A 6 0.049 -4.836 -5.215 1.00 11.44 C ATOM 74 C TRP A 6 -0.894 -4.730 -6.402 1.00 42.43 C ATOM 75 O TRP A 6 -0.510 -5.009 -7.539 1.00 10.54 O ATOM 76 CB TRP A 6 1.113 -3.741 -5.292 1.00 54.41 C ATOM 77 CG TRP A 6 1.665 -3.353 -3.956 1.00 54.52 C ATOM 78 CD1 TRP A 6 2.555 -4.054 -3.191 1.00 43.43 C ATOM 79 CD2 TRP A 6 1.355 -2.163 -3.225 1.00 51.03 C ATOM 80 NE1 TRP A 6 2.814 -3.368 -2.027 1.00 31.22 N ATOM 81 CE2 TRP A 6 2.091 -2.206 -2.028 1.00 31.35 C ATOM 82 CE3 TRP A 6 0.528 -1.062 -3.467 1.00 15.12 C ATOM 83 CZ2 TRP A 6 2.021 -1.192 -1.076 1.00 43.41 C ATOM 84 CZ3 TRP A 6 0.463 -0.056 -2.523 1.00 43.11 C ATOM 85 CH2 TRP A 6 1.206 -0.127 -1.340 1.00 12.33 C ATOM 0 H TRP A 6 1.526 -6.230 -5.717 1.00 32.32 H new ATOM 0 HA TRP A 6 -0.523 -4.700 -4.297 1.00 11.44 H new ATOM 0 HB2 TRP A 6 1.929 -4.082 -5.929 1.00 54.41 H new ATOM 0 HB3 TRP A 6 0.683 -2.860 -5.769 1.00 54.41 H new ATOM 0 HD1 TRP A 6 2.990 -5.005 -3.460 1.00 43.43 H new ATOM 0 HE1 TRP A 6 3.442 -3.675 -1.285 1.00 31.22 H new ATOM 0 HE3 TRP A 6 -0.050 -0.999 -4.377 1.00 15.12 H new ATOM 0 HZ2 TRP A 6 2.591 -1.245 -0.160 1.00 43.41 H new ATOM 0 HZ3 TRP A 6 -0.172 0.799 -2.701 1.00 43.11 H new ATOM 0 HH2 TRP A 6 1.134 0.676 -0.621 1.00 12.33 H new ATOM 96 N THR A 7 -2.126 -4.332 -6.134 1.00 14.31 N ATOM 97 CA THR A 7 -3.126 -4.197 -7.177 1.00 41.34 C ATOM 98 C THR A 7 -2.929 -2.904 -7.956 1.00 14.44 C ATOM 99 O THR A 7 -2.313 -1.956 -7.459 1.00 43.13 O ATOM 100 CB THR A 7 -4.544 -4.209 -6.587 1.00 44.41 C ATOM 101 OG1 THR A 7 -4.638 -3.248 -5.524 1.00 41.32 O ATOM 102 CG2 THR A 7 -4.905 -5.592 -6.067 1.00 31.31 C ATOM 0 H THR A 7 -2.458 -4.096 -5.199 1.00 14.31 H new ATOM 0 HA THR A 7 -3.007 -5.047 -7.849 1.00 41.34 H new ATOM 0 HB THR A 7 -5.247 -3.946 -7.378 1.00 44.41 H new ATOM 0 HG1 THR A 7 -4.159 -3.583 -4.737 1.00 41.32 H new ATOM 0 HG21 THR A 7 -5.914 -5.574 -5.654 1.00 31.31 H new ATOM 0 HG22 THR A 7 -4.860 -6.311 -6.885 1.00 31.31 H new ATOM 0 HG23 THR A 7 -4.200 -5.884 -5.289 1.00 31.31 H new ATOM 110 N ALA A 8 -3.456 -2.868 -9.175 1.00 74.30 N ATOM 111 CA ALA A 8 -3.417 -1.666 -9.993 1.00 64.24 C ATOM 112 C ALA A 8 -4.190 -0.542 -9.316 1.00 23.44 C ATOM 113 O ALA A 8 -3.877 0.631 -9.496 1.00 52.32 O ATOM 114 CB ALA A 8 -3.978 -1.945 -11.379 1.00 21.30 C ATOM 0 H ALA A 8 -3.917 -3.663 -9.618 1.00 74.30 H new ATOM 0 HA ALA A 8 -2.379 -1.354 -10.103 1.00 64.24 H new ATOM 0 HB1 ALA A 8 -3.941 -1.034 -11.977 1.00 21.30 H new ATOM 0 HB2 ALA A 8 -3.384 -2.721 -11.862 1.00 21.30 H new ATOM 0 HB3 ALA A 8 -5.012 -2.280 -11.292 1.00 21.30 H new ATOM 120 N GLU A 9 -5.197 -0.921 -8.534 1.00 61.33 N ATOM 121 CA GLU A 9 -5.960 0.027 -7.730 1.00 63.21 C ATOM 122 C GLU A 9 -5.052 0.742 -6.735 1.00 31.14 C ATOM 123 O GLU A 9 -5.022 1.973 -6.673 1.00 41.42 O ATOM 124 CB GLU A 9 -7.078 -0.694 -6.973 1.00 50.14 C ATOM 125 CG GLU A 9 -8.278 -1.084 -7.825 1.00 22.34 C ATOM 126 CD GLU A 9 -7.926 -1.977 -8.996 1.00 55.51 C ATOM 127 OE1 GLU A 9 -7.262 -3.015 -8.785 1.00 61.42 O ATOM 128 OE2 GLU A 9 -8.308 -1.640 -10.134 1.00 35.53 O ATOM 0 H GLU A 9 -5.505 -1.889 -8.440 1.00 61.33 H new ATOM 0 HA GLU A 9 -6.398 0.764 -8.403 1.00 63.21 H new ATOM 0 HB2 GLU A 9 -6.666 -1.594 -6.516 1.00 50.14 H new ATOM 0 HB3 GLU A 9 -7.420 -0.052 -6.161 1.00 50.14 H new ATOM 0 HG2 GLU A 9 -9.009 -1.594 -7.197 1.00 22.34 H new ATOM 0 HG3 GLU A 9 -8.756 -0.179 -8.200 1.00 22.34 H new ATOM 135 N ALA A 10 -4.308 -0.038 -5.964 1.00 42.24 N ATOM 136 CA ALA A 10 -3.399 0.516 -4.974 1.00 24.32 C ATOM 137 C ALA A 10 -2.284 1.307 -5.648 1.00 43.13 C ATOM 138 O ALA A 10 -1.978 2.431 -5.249 1.00 2.43 O ATOM 139 CB ALA A 10 -2.822 -0.591 -4.112 1.00 35.04 C ATOM 0 H ALA A 10 -4.317 -1.057 -6.006 1.00 42.24 H new ATOM 0 HA ALA A 10 -3.960 1.198 -4.335 1.00 24.32 H new ATOM 0 HB1 ALA A 10 -2.143 -0.162 -3.375 1.00 35.04 H new ATOM 0 HB2 ALA A 10 -3.631 -1.112 -3.600 1.00 35.04 H new ATOM 0 HB3 ALA A 10 -2.277 -1.295 -4.741 1.00 35.04 H new ATOM 145 N GLU A 11 -1.695 0.718 -6.683 1.00 61.40 N ATOM 146 CA GLU A 11 -0.643 1.373 -7.459 1.00 62.34 C ATOM 147 C GLU A 11 -1.142 2.670 -8.097 1.00 30.14 C ATOM 148 O GLU A 11 -0.375 3.612 -8.278 1.00 1.03 O ATOM 149 CB GLU A 11 -0.117 0.426 -8.537 1.00 42.43 C ATOM 150 CG GLU A 11 0.848 -0.634 -8.020 1.00 42.33 C ATOM 151 CD GLU A 11 2.223 -0.074 -7.695 1.00 15.54 C ATOM 152 OE1 GLU A 11 2.876 0.467 -8.617 1.00 44.54 O ATOM 153 OE2 GLU A 11 2.671 -0.199 -6.535 1.00 70.03 O ATOM 0 H GLU A 11 -1.930 -0.220 -7.008 1.00 61.40 H new ATOM 0 HA GLU A 11 0.167 1.626 -6.775 1.00 62.34 H new ATOM 0 HB2 GLU A 11 -0.963 -0.070 -9.013 1.00 42.43 H new ATOM 0 HB3 GLU A 11 0.384 1.013 -9.307 1.00 42.43 H new ATOM 0 HG2 GLU A 11 0.428 -1.095 -7.126 1.00 42.33 H new ATOM 0 HG3 GLU A 11 0.949 -1.421 -8.767 1.00 42.33 H new ATOM 160 N LYS A 12 -2.425 2.717 -8.439 1.00 45.54 N ATOM 161 CA LYS A 12 -3.020 3.914 -9.028 1.00 21.35 C ATOM 162 C LYS A 12 -2.903 5.096 -8.071 1.00 61.53 C ATOM 163 O LYS A 12 -2.534 6.203 -8.468 1.00 31.32 O ATOM 164 CB LYS A 12 -4.495 3.667 -9.366 1.00 12.14 C ATOM 165 CG LYS A 12 -5.175 4.842 -10.055 1.00 4.14 C ATOM 166 CD LYS A 12 -6.664 4.598 -10.249 1.00 12.30 C ATOM 167 CE LYS A 12 -6.939 3.360 -11.093 1.00 74.14 C ATOM 168 NZ LYS A 12 -6.359 3.470 -12.457 1.00 35.40 N ATOM 0 H LYS A 12 -3.075 1.940 -8.319 1.00 45.54 H new ATOM 0 HA LYS A 12 -2.479 4.147 -9.945 1.00 21.35 H new ATOM 0 HB2 LYS A 12 -4.568 2.790 -10.009 1.00 12.14 H new ATOM 0 HB3 LYS A 12 -5.034 3.435 -8.447 1.00 12.14 H new ATOM 0 HG2 LYS A 12 -5.029 5.745 -9.462 1.00 4.14 H new ATOM 0 HG3 LYS A 12 -4.706 5.017 -11.023 1.00 4.14 H new ATOM 0 HD2 LYS A 12 -7.142 4.486 -9.276 1.00 12.30 H new ATOM 0 HD3 LYS A 12 -7.114 5.468 -10.726 1.00 12.30 H new ATOM 0 HE2 LYS A 12 -6.526 2.483 -10.594 1.00 74.14 H new ATOM 0 HE3 LYS A 12 -8.015 3.206 -11.169 1.00 74.14 H new ATOM 0 HZ1 LYS A 12 -6.683 2.671 -13.038 1.00 35.40 H new ATOM 0 HZ2 LYS A 12 -6.666 4.362 -12.894 1.00 35.40 H new ATOM 0 HZ3 LYS A 12 -5.321 3.454 -12.395 1.00 35.40 H new ATOM 182 N MET A 13 -3.210 4.847 -6.808 1.00 55.34 N ATOM 183 CA MET A 13 -3.175 5.890 -5.791 1.00 50.22 C ATOM 184 C MET A 13 -1.748 6.137 -5.315 1.00 22.23 C ATOM 185 O MET A 13 -1.389 7.258 -4.950 1.00 51.14 O ATOM 186 CB MET A 13 -4.067 5.506 -4.607 1.00 14.10 C ATOM 187 CG MET A 13 -5.531 5.340 -4.982 1.00 63.22 C ATOM 188 SD MET A 13 -6.565 4.833 -3.591 1.00 64.22 S ATOM 189 CE MET A 13 -5.813 3.265 -3.161 1.00 23.15 C ATOM 0 H MET A 13 -3.487 3.929 -6.460 1.00 55.34 H new ATOM 0 HA MET A 13 -3.552 6.811 -6.235 1.00 50.22 H new ATOM 0 HB2 MET A 13 -3.703 4.574 -4.175 1.00 14.10 H new ATOM 0 HB3 MET A 13 -3.982 6.271 -3.835 1.00 14.10 H new ATOM 0 HG2 MET A 13 -5.907 6.282 -5.382 1.00 63.22 H new ATOM 0 HG3 MET A 13 -5.614 4.600 -5.778 1.00 63.22 H new ATOM 0 HE1 MET A 13 -5.965 3.067 -2.100 1.00 23.15 H new ATOM 0 HE2 MET A 13 -6.271 2.469 -3.748 1.00 23.15 H new ATOM 0 HE3 MET A 13 -4.745 3.303 -3.373 1.00 23.15 H new ATOM 199 N LEU A 14 -0.940 5.089 -5.329 1.00 42.12 N ATOM 200 CA LEU A 14 0.442 5.170 -4.869 1.00 54.23 C ATOM 201 C LEU A 14 1.331 5.830 -5.923 1.00 41.14 C ATOM 202 O LEU A 14 2.326 6.471 -5.595 1.00 72.31 O ATOM 203 CB LEU A 14 0.962 3.768 -4.544 1.00 73.11 C ATOM 204 CG LEU A 14 2.371 3.711 -3.954 1.00 1.01 C ATOM 205 CD1 LEU A 14 2.414 4.400 -2.599 1.00 71.34 C ATOM 206 CD2 LEU A 14 2.835 2.270 -3.837 1.00 72.35 C ATOM 0 H LEU A 14 -1.218 4.164 -5.656 1.00 42.12 H new ATOM 0 HA LEU A 14 0.472 5.784 -3.969 1.00 54.23 H new ATOM 0 HB2 LEU A 14 0.273 3.297 -3.842 1.00 73.11 H new ATOM 0 HB3 LEU A 14 0.944 3.172 -5.456 1.00 73.11 H new ATOM 0 HG LEU A 14 3.048 4.240 -4.625 1.00 1.01 H new ATOM 0 HD11 LEU A 14 3.426 4.348 -2.196 1.00 71.34 H new ATOM 0 HD12 LEU A 14 2.122 5.444 -2.712 1.00 71.34 H new ATOM 0 HD13 LEU A 14 1.726 3.902 -1.916 1.00 71.34 H new ATOM 0 HD21 LEU A 14 3.840 2.244 -3.415 1.00 72.35 H new ATOM 0 HD22 LEU A 14 2.155 1.720 -3.187 1.00 72.35 H new ATOM 0 HD23 LEU A 14 2.844 1.809 -4.825 1.00 72.35 H new ATOM 218 N GLY A 15 0.954 5.673 -7.189 1.00 43.34 N ATOM 219 CA GLY A 15 1.726 6.232 -8.288 1.00 63.40 C ATOM 220 C GLY A 15 1.686 7.744 -8.316 1.00 31.35 C ATOM 221 O GLY A 15 2.521 8.386 -8.949 1.00 51.33 O ATOM 0 H GLY A 15 0.119 5.163 -7.476 1.00 43.34 H new ATOM 0 HA2 GLY A 15 2.761 5.901 -8.205 1.00 63.40 H new ATOM 0 HA3 GLY A 15 1.342 5.844 -9.231 1.00 63.40 H new ATOM 225 N LYS A 16 0.708 8.316 -7.633 1.00 4.34 N ATOM 226 CA LYS A 16 0.594 9.758 -7.530 1.00 32.43 C ATOM 227 C LYS A 16 1.626 10.280 -6.532 1.00 13.23 C ATOM 228 O LYS A 16 2.025 11.445 -6.569 1.00 3.40 O ATOM 229 CB LYS A 16 -0.826 10.117 -7.086 1.00 1.50 C ATOM 230 CG LYS A 16 -1.319 11.461 -7.588 1.00 20.11 C ATOM 231 CD LYS A 16 -0.819 12.618 -6.739 1.00 4.42 C ATOM 232 CE LYS A 16 -1.202 13.957 -7.345 1.00 54.53 C ATOM 233 NZ LYS A 16 -0.855 15.085 -6.447 1.00 21.22 N ATOM 0 H LYS A 16 -0.020 7.799 -7.140 1.00 4.34 H new ATOM 0 HA LYS A 16 0.787 10.222 -8.497 1.00 32.43 H new ATOM 0 HB2 LYS A 16 -1.509 9.341 -7.432 1.00 1.50 H new ATOM 0 HB3 LYS A 16 -0.865 10.113 -5.997 1.00 1.50 H new ATOM 0 HG2 LYS A 16 -0.992 11.603 -8.618 1.00 20.11 H new ATOM 0 HG3 LYS A 16 -2.409 11.465 -7.596 1.00 20.11 H new ATOM 0 HD2 LYS A 16 -1.234 12.540 -5.734 1.00 4.42 H new ATOM 0 HD3 LYS A 16 0.265 12.558 -6.642 1.00 4.42 H new ATOM 0 HE2 LYS A 16 -0.693 14.083 -8.301 1.00 54.53 H new ATOM 0 HE3 LYS A 16 -2.273 13.971 -7.550 1.00 54.53 H new ATOM 0 HZ1 LYS A 16 -1.131 15.982 -6.894 1.00 21.22 H new ATOM 0 HZ2 LYS A 16 -1.360 14.978 -5.544 1.00 21.22 H new ATOM 0 HZ3 LYS A 16 0.170 15.087 -6.272 1.00 21.22 H new ATOM 247 N VAL A 17 2.070 9.386 -5.661 1.00 23.52 N ATOM 248 CA VAL A 17 3.016 9.718 -4.612 1.00 50.03 C ATOM 249 C VAL A 17 4.452 9.588 -5.123 1.00 1.13 C ATOM 250 O VAL A 17 4.817 8.558 -5.701 1.00 2.41 O ATOM 251 CB VAL A 17 2.811 8.789 -3.393 1.00 44.22 C ATOM 252 CG1 VAL A 17 3.786 9.122 -2.275 1.00 63.05 C ATOM 253 CG2 VAL A 17 1.376 8.873 -2.892 1.00 33.34 C ATOM 0 H VAL A 17 1.782 8.408 -5.664 1.00 23.52 H new ATOM 0 HA VAL A 17 2.842 10.750 -4.309 1.00 50.03 H new ATOM 0 HB VAL A 17 3.008 7.767 -3.716 1.00 44.22 H new ATOM 0 HG11 VAL A 17 3.616 8.451 -1.433 1.00 63.05 H new ATOM 0 HG12 VAL A 17 4.808 9.001 -2.635 1.00 63.05 H new ATOM 0 HG13 VAL A 17 3.634 10.153 -1.955 1.00 63.05 H new ATOM 0 HG21 VAL A 17 1.251 8.212 -2.034 1.00 33.34 H new ATOM 0 HG22 VAL A 17 1.153 9.898 -2.596 1.00 33.34 H new ATOM 0 HG23 VAL A 17 0.695 8.569 -3.687 1.00 33.34 H new ATOM 263 N PRO A 18 5.276 10.641 -4.927 1.00 63.22 N ATOM 264 CA PRO A 18 6.686 10.647 -5.343 1.00 64.32 C ATOM 265 C PRO A 18 7.433 9.414 -4.860 1.00 22.12 C ATOM 266 O PRO A 18 7.261 8.982 -3.721 1.00 42.21 O ATOM 267 CB PRO A 18 7.245 11.911 -4.686 1.00 63.53 C ATOM 268 CG PRO A 18 6.068 12.811 -4.545 1.00 53.33 C ATOM 269 CD PRO A 18 4.891 11.913 -4.282 1.00 62.34 C ATOM 0 HA PRO A 18 6.794 10.635 -6.428 1.00 64.32 H new ATOM 0 HB2 PRO A 18 7.693 11.690 -3.717 1.00 63.53 H new ATOM 0 HB3 PRO A 18 8.022 12.367 -5.300 1.00 63.53 H new ATOM 0 HG2 PRO A 18 6.212 13.516 -3.726 1.00 53.33 H new ATOM 0 HG3 PRO A 18 5.916 13.399 -5.450 1.00 53.33 H new ATOM 0 HD2 PRO A 18 4.715 11.784 -3.214 1.00 62.34 H new ATOM 0 HD3 PRO A 18 3.974 12.318 -4.709 1.00 62.34 H new ATOM 277 N PHE A 19 8.293 8.886 -5.719 1.00 42.33 N ATOM 278 CA PHE A 19 8.894 7.572 -5.519 1.00 35.54 C ATOM 279 C PHE A 19 9.730 7.514 -4.246 1.00 21.15 C ATOM 280 O PHE A 19 9.823 6.461 -3.615 1.00 63.03 O ATOM 281 CB PHE A 19 9.751 7.196 -6.726 1.00 4.02 C ATOM 282 CG PHE A 19 9.879 5.711 -6.922 1.00 70.33 C ATOM 283 CD1 PHE A 19 8.903 5.016 -7.614 1.00 30.14 C ATOM 284 CD2 PHE A 19 10.966 5.014 -6.418 1.00 62.02 C ATOM 285 CE1 PHE A 19 9.004 3.650 -7.801 1.00 11.31 C ATOM 286 CE2 PHE A 19 11.073 3.646 -6.602 1.00 10.32 C ATOM 287 CZ PHE A 19 10.091 2.964 -7.294 1.00 10.11 C ATOM 0 H PHE A 19 8.595 9.354 -6.574 1.00 42.33 H new ATOM 0 HA PHE A 19 8.081 6.854 -5.412 1.00 35.54 H new ATOM 0 HB2 PHE A 19 9.318 7.638 -7.623 1.00 4.02 H new ATOM 0 HB3 PHE A 19 10.745 7.627 -6.606 1.00 4.02 H new ATOM 0 HD1 PHE A 19 8.052 5.547 -8.013 1.00 30.14 H new ATOM 0 HD2 PHE A 19 11.737 5.543 -5.877 1.00 62.02 H new ATOM 0 HE1 PHE A 19 8.235 3.120 -8.343 1.00 11.31 H new ATOM 0 HE2 PHE A 19 11.924 3.112 -6.205 1.00 10.32 H new ATOM 0 HZ PHE A 19 10.173 1.897 -7.438 1.00 10.11 H new ATOM 297 N PHE A 20 10.322 8.646 -3.870 1.00 73.45 N ATOM 298 CA PHE A 20 11.158 8.723 -2.672 1.00 72.41 C ATOM 299 C PHE A 20 10.394 8.220 -1.452 1.00 5.51 C ATOM 300 O PHE A 20 10.831 7.301 -0.762 1.00 2.44 O ATOM 301 CB PHE A 20 11.615 10.162 -2.424 1.00 23.04 C ATOM 302 CG PHE A 20 12.276 10.807 -3.609 1.00 33.52 C ATOM 303 CD1 PHE A 20 13.572 10.472 -3.968 1.00 35.12 C ATOM 304 CD2 PHE A 20 11.597 11.751 -4.362 1.00 11.44 C ATOM 305 CE1 PHE A 20 14.179 11.067 -5.058 1.00 43.14 C ATOM 306 CE2 PHE A 20 12.199 12.349 -5.453 1.00 72.03 C ATOM 307 CZ PHE A 20 13.492 12.006 -5.802 1.00 74.22 C ATOM 0 H PHE A 20 10.238 9.526 -4.379 1.00 73.45 H new ATOM 0 HA PHE A 20 12.032 8.093 -2.834 1.00 72.41 H new ATOM 0 HB2 PHE A 20 10.752 10.761 -2.132 1.00 23.04 H new ATOM 0 HB3 PHE A 20 12.309 10.172 -1.584 1.00 23.04 H new ATOM 0 HD1 PHE A 20 14.114 9.738 -3.390 1.00 35.12 H new ATOM 0 HD2 PHE A 20 10.587 12.022 -4.094 1.00 11.44 H new ATOM 0 HE1 PHE A 20 15.190 10.798 -5.328 1.00 43.14 H new ATOM 0 HE2 PHE A 20 11.660 13.084 -6.032 1.00 72.03 H new ATOM 0 HZ PHE A 20 13.964 12.471 -6.655 1.00 74.22 H new ATOM 317 N VAL A 21 9.241 8.827 -1.203 1.00 53.34 N ATOM 318 CA VAL A 21 8.416 8.453 -0.069 1.00 4.24 C ATOM 319 C VAL A 21 7.485 7.302 -0.435 1.00 5.31 C ATOM 320 O VAL A 21 6.993 6.589 0.438 1.00 52.25 O ATOM 321 CB VAL A 21 7.594 9.652 0.455 1.00 13.24 C ATOM 322 CG1 VAL A 21 8.520 10.753 0.944 1.00 61.31 C ATOM 323 CG2 VAL A 21 6.661 10.189 -0.620 1.00 51.13 C ATOM 0 H VAL A 21 8.858 9.581 -1.774 1.00 53.34 H new ATOM 0 HA VAL A 21 9.086 8.128 0.727 1.00 4.24 H new ATOM 0 HB VAL A 21 6.985 9.304 1.290 1.00 13.24 H new ATOM 0 HG11 VAL A 21 7.927 11.591 1.310 1.00 61.31 H new ATOM 0 HG12 VAL A 21 9.145 10.371 1.751 1.00 61.31 H new ATOM 0 HG13 VAL A 21 9.153 11.088 0.122 1.00 61.31 H new ATOM 0 HG21 VAL A 21 6.095 11.032 -0.223 1.00 51.13 H new ATOM 0 HG22 VAL A 21 7.246 10.517 -1.479 1.00 51.13 H new ATOM 0 HG23 VAL A 21 5.972 9.403 -0.929 1.00 51.13 H new ATOM 333 N ARG A 22 7.260 7.122 -1.735 1.00 4.24 N ATOM 334 CA ARG A 22 6.436 6.024 -2.227 1.00 23.35 C ATOM 335 C ARG A 22 7.035 4.691 -1.805 1.00 15.13 C ATOM 336 O ARG A 22 6.333 3.821 -1.295 1.00 11.14 O ATOM 337 CB ARG A 22 6.329 6.060 -3.755 1.00 73.11 C ATOM 338 CG ARG A 22 5.441 4.965 -4.321 1.00 65.41 C ATOM 339 CD ARG A 22 5.687 4.730 -5.803 1.00 60.23 C ATOM 340 NE ARG A 22 5.391 5.901 -6.623 1.00 64.14 N ATOM 341 CZ ARG A 22 5.361 5.872 -7.956 1.00 64.32 C ATOM 342 NH1 ARG A 22 5.539 4.723 -8.602 1.00 72.44 N ATOM 343 NH2 ARG A 22 5.133 6.979 -8.646 1.00 23.24 N ATOM 0 H ARG A 22 7.638 7.724 -2.466 1.00 4.24 H new ATOM 0 HA ARG A 22 5.440 6.136 -1.799 1.00 23.35 H new ATOM 0 HB2 ARG A 22 5.938 7.030 -4.062 1.00 73.11 H new ATOM 0 HB3 ARG A 22 7.327 5.968 -4.184 1.00 73.11 H new ATOM 0 HG2 ARG A 22 5.617 4.039 -3.774 1.00 65.41 H new ATOM 0 HG3 ARG A 22 4.396 5.232 -4.166 1.00 65.41 H new ATOM 0 HD2 ARG A 22 6.728 4.443 -5.952 1.00 60.23 H new ATOM 0 HD3 ARG A 22 5.074 3.894 -6.139 1.00 60.23 H new ATOM 0 HE ARG A 22 5.198 6.785 -6.153 1.00 64.14 H new ATOM 0 HH11 ARG A 22 5.699 3.863 -8.078 1.00 72.44 H new ATOM 0 HH12 ARG A 22 5.516 4.702 -9.622 1.00 72.44 H new ATOM 0 HH21 ARG A 22 4.979 7.861 -8.158 1.00 23.24 H new ATOM 0 HH22 ARG A 22 5.112 6.949 -9.665 1.00 23.24 H new ATOM 357 N LYS A 23 8.339 4.548 -2.023 1.00 11.33 N ATOM 358 CA LYS A 23 9.056 3.327 -1.684 1.00 62.31 C ATOM 359 C LYS A 23 8.938 3.035 -0.189 1.00 43.20 C ATOM 360 O LYS A 23 8.773 1.883 0.220 1.00 64.12 O ATOM 361 CB LYS A 23 10.528 3.459 -2.094 1.00 14.42 C ATOM 362 CG LYS A 23 11.350 2.200 -1.874 1.00 44.35 C ATOM 363 CD LYS A 23 12.782 2.388 -2.348 1.00 54.33 C ATOM 364 CE LYS A 23 13.621 1.143 -2.109 1.00 31.12 C ATOM 365 NZ LYS A 23 15.038 1.339 -2.516 1.00 54.42 N ATOM 0 H LYS A 23 8.925 5.273 -2.438 1.00 11.33 H new ATOM 0 HA LYS A 23 8.613 2.493 -2.228 1.00 62.31 H new ATOM 0 HB2 LYS A 23 10.577 3.732 -3.148 1.00 14.42 H new ATOM 0 HB3 LYS A 23 10.979 4.277 -1.532 1.00 14.42 H new ATOM 0 HG2 LYS A 23 11.346 1.940 -0.815 1.00 44.35 H new ATOM 0 HG3 LYS A 23 10.894 1.367 -2.408 1.00 44.35 H new ATOM 0 HD2 LYS A 23 12.785 2.630 -3.411 1.00 54.33 H new ATOM 0 HD3 LYS A 23 13.230 3.234 -1.827 1.00 54.33 H new ATOM 0 HE2 LYS A 23 13.581 0.876 -1.053 1.00 31.12 H new ATOM 0 HE3 LYS A 23 13.196 0.307 -2.665 1.00 31.12 H new ATOM 0 HZ1 LYS A 23 15.575 0.466 -2.336 1.00 54.42 H new ATOM 0 HZ2 LYS A 23 15.080 1.568 -3.530 1.00 54.42 H new ATOM 0 HZ3 LYS A 23 15.452 2.119 -1.967 1.00 54.42 H new ATOM 379 N LYS A 24 8.996 4.093 0.618 1.00 20.45 N ATOM 380 CA LYS A 24 8.863 3.963 2.067 1.00 15.12 C ATOM 381 C LYS A 24 7.478 3.445 2.439 1.00 60.24 C ATOM 382 O LYS A 24 7.349 2.422 3.111 1.00 70.41 O ATOM 383 CB LYS A 24 9.092 5.319 2.746 1.00 44.24 C ATOM 384 CG LYS A 24 10.496 5.877 2.567 1.00 24.02 C ATOM 385 CD LYS A 24 11.533 5.034 3.292 1.00 41.24 C ATOM 386 CE LYS A 24 11.275 5.001 4.790 1.00 53.14 C ATOM 387 NZ LYS A 24 12.310 4.219 5.515 1.00 22.15 N ATOM 0 H LYS A 24 9.134 5.050 0.292 1.00 20.45 H new ATOM 0 HA LYS A 24 9.614 3.251 2.410 1.00 15.12 H new ATOM 0 HB2 LYS A 24 8.374 6.037 2.349 1.00 44.24 H new ATOM 0 HB3 LYS A 24 8.886 5.218 3.812 1.00 44.24 H new ATOM 0 HG2 LYS A 24 10.738 5.918 1.505 1.00 24.02 H new ATOM 0 HG3 LYS A 24 10.532 6.900 2.942 1.00 24.02 H new ATOM 0 HD2 LYS A 24 11.519 4.018 2.897 1.00 41.24 H new ATOM 0 HD3 LYS A 24 12.528 5.436 3.102 1.00 41.24 H new ATOM 0 HE2 LYS A 24 11.253 6.020 5.177 1.00 53.14 H new ATOM 0 HE3 LYS A 24 10.293 4.567 4.980 1.00 53.14 H new ATOM 0 HZ1 LYS A 24 12.097 4.221 6.533 1.00 22.15 H new ATOM 0 HZ2 LYS A 24 12.314 3.240 5.164 1.00 22.15 H new ATOM 0 HZ3 LYS A 24 13.244 4.648 5.356 1.00 22.15 H new ATOM 401 N VAL A 25 6.449 4.137 1.960 1.00 63.24 N ATOM 402 CA VAL A 25 5.069 3.787 2.277 1.00 23.04 C ATOM 403 C VAL A 25 4.730 2.400 1.744 1.00 64.01 C ATOM 404 O VAL A 25 4.102 1.600 2.433 1.00 43.13 O ATOM 405 CB VAL A 25 4.076 4.821 1.697 1.00 13.14 C ATOM 406 CG1 VAL A 25 2.641 4.438 2.025 1.00 4.34 C ATOM 407 CG2 VAL A 25 4.385 6.212 2.227 1.00 75.45 C ATOM 0 H VAL A 25 6.546 4.947 1.348 1.00 63.24 H new ATOM 0 HA VAL A 25 4.975 3.789 3.363 1.00 23.04 H new ATOM 0 HB VAL A 25 4.189 4.827 0.613 1.00 13.14 H new ATOM 0 HG11 VAL A 25 1.962 5.180 1.606 1.00 4.34 H new ATOM 0 HG12 VAL A 25 2.418 3.460 1.597 1.00 4.34 H new ATOM 0 HG13 VAL A 25 2.513 4.398 3.107 1.00 4.34 H new ATOM 0 HG21 VAL A 25 3.676 6.927 1.808 1.00 75.45 H new ATOM 0 HG22 VAL A 25 4.303 6.214 3.314 1.00 75.45 H new ATOM 0 HG23 VAL A 25 5.398 6.494 1.939 1.00 75.45 H new ATOM 417 N ARG A 26 5.184 2.117 0.532 1.00 33.22 N ATOM 418 CA ARG A 26 4.914 0.844 -0.122 1.00 55.01 C ATOM 419 C ARG A 26 5.396 -0.316 0.743 1.00 52.53 C ATOM 420 O ARG A 26 4.624 -1.212 1.080 1.00 1.24 O ATOM 421 CB ARG A 26 5.615 0.817 -1.478 1.00 41.10 C ATOM 422 CG ARG A 26 5.024 -0.171 -2.459 1.00 4.40 C ATOM 423 CD ARG A 26 5.698 -0.052 -3.812 1.00 22.21 C ATOM 424 NE ARG A 26 4.957 -0.733 -4.867 1.00 14.23 N ATOM 425 CZ ARG A 26 5.477 -1.673 -5.642 1.00 13.14 C ATOM 426 NH1 ARG A 26 6.718 -2.104 -5.439 1.00 30.34 N ATOM 427 NH2 ARG A 26 4.752 -2.191 -6.620 1.00 30.32 N ATOM 0 H ARG A 26 5.748 2.760 -0.024 1.00 33.22 H new ATOM 0 HA ARG A 26 3.839 0.737 -0.265 1.00 55.01 H new ATOM 0 HB2 ARG A 26 5.576 1.815 -1.915 1.00 41.10 H new ATOM 0 HB3 ARG A 26 6.667 0.577 -1.326 1.00 41.10 H new ATOM 0 HG2 ARG A 26 5.141 -1.185 -2.077 1.00 4.40 H new ATOM 0 HG3 ARG A 26 3.954 0.008 -2.563 1.00 4.40 H new ATOM 0 HD2 ARG A 26 5.805 1.002 -4.070 1.00 22.21 H new ATOM 0 HD3 ARG A 26 6.703 -0.469 -3.751 1.00 22.21 H new ATOM 0 HE ARG A 26 3.983 -0.471 -5.017 1.00 14.23 H new ATOM 0 HH11 ARG A 26 7.277 -1.711 -4.682 1.00 30.34 H new ATOM 0 HH12 ARG A 26 7.111 -2.828 -6.040 1.00 30.34 H new ATOM 0 HH21 ARG A 26 3.797 -1.866 -6.774 1.00 30.32 H new ATOM 0 HH22 ARG A 26 5.148 -2.915 -7.220 1.00 30.32 H new ATOM 441 N LYS A 27 6.664 -0.254 1.140 1.00 74.31 N ATOM 442 CA LYS A 27 7.278 -1.286 1.971 1.00 42.31 C ATOM 443 C LYS A 27 6.543 -1.423 3.306 1.00 14.24 C ATOM 444 O LYS A 27 6.468 -2.509 3.884 1.00 70.01 O ATOM 445 CB LYS A 27 8.751 -0.940 2.209 1.00 1.15 C ATOM 446 CG LYS A 27 9.546 -2.019 2.928 1.00 1.21 C ATOM 447 CD LYS A 27 10.989 -1.585 3.137 1.00 31.35 C ATOM 448 CE LYS A 27 11.809 -2.643 3.863 1.00 50.04 C ATOM 449 NZ LYS A 27 11.916 -3.909 3.091 1.00 35.22 N ATOM 0 H LYS A 27 7.293 0.511 0.896 1.00 74.31 H new ATOM 0 HA LYS A 27 7.209 -2.241 1.451 1.00 42.31 H new ATOM 0 HB2 LYS A 27 9.223 -0.739 1.248 1.00 1.15 H new ATOM 0 HB3 LYS A 27 8.805 -0.019 2.790 1.00 1.15 H new ATOM 0 HG2 LYS A 27 9.084 -2.235 3.891 1.00 1.21 H new ATOM 0 HG3 LYS A 27 9.520 -2.942 2.348 1.00 1.21 H new ATOM 0 HD2 LYS A 27 11.446 -1.373 2.171 1.00 31.35 H new ATOM 0 HD3 LYS A 27 11.008 -0.657 3.709 1.00 31.35 H new ATOM 0 HE2 LYS A 27 12.809 -2.254 4.057 1.00 50.04 H new ATOM 0 HE3 LYS A 27 11.354 -2.849 4.832 1.00 50.04 H new ATOM 0 HZ1 LYS A 27 12.604 -4.539 3.551 1.00 35.22 H new ATOM 0 HZ2 LYS A 27 10.987 -4.375 3.059 1.00 35.22 H new ATOM 0 HZ3 LYS A 27 12.232 -3.699 2.123 1.00 35.22 H new ATOM 463 N ASN A 28 5.985 -0.317 3.781 1.00 51.21 N ATOM 464 CA ASN A 28 5.294 -0.303 5.062 1.00 45.32 C ATOM 465 C ASN A 28 3.940 -0.981 4.934 1.00 2.11 C ATOM 466 O ASN A 28 3.439 -1.569 5.889 1.00 74.44 O ATOM 467 CB ASN A 28 5.113 1.132 5.577 1.00 21.14 C ATOM 468 CG ASN A 28 6.424 1.799 5.955 1.00 35.33 C ATOM 469 OD1 ASN A 28 7.375 1.141 6.385 1.00 0.23 O ATOM 470 ND2 ASN A 28 6.486 3.114 5.794 1.00 63.22 N ATOM 0 H ASN A 28 5.998 0.581 3.298 1.00 51.21 H new ATOM 0 HA ASN A 28 5.904 -0.850 5.781 1.00 45.32 H new ATOM 0 HB2 ASN A 28 4.617 1.727 4.810 1.00 21.14 H new ATOM 0 HB3 ASN A 28 4.455 1.120 6.446 1.00 21.14 H new ATOM 0 HD21 ASN A 28 7.342 3.617 6.029 1.00 63.22 H new ATOM 0 HD22 ASN A 28 5.678 3.623 5.436 1.00 63.22 H new ATOM 477 N THR A 29 3.360 -0.916 3.743 1.00 72.34 N ATOM 478 CA THR A 29 2.052 -1.500 3.508 1.00 33.32 C ATOM 479 C THR A 29 2.156 -3.007 3.324 1.00 12.22 C ATOM 480 O THR A 29 1.245 -3.744 3.696 1.00 61.34 O ATOM 481 CB THR A 29 1.381 -0.922 2.265 1.00 5.04 C ATOM 482 OG1 THR A 29 1.723 0.460 2.105 1.00 41.44 O ATOM 483 CG2 THR A 29 -0.125 -1.055 2.360 1.00 4.10 C ATOM 0 H THR A 29 3.776 -0.465 2.928 1.00 72.34 H new ATOM 0 HA THR A 29 1.451 -1.263 4.386 1.00 33.32 H new ATOM 0 HB THR A 29 1.737 -1.484 1.402 1.00 5.04 H new ATOM 0 HG1 THR A 29 2.678 0.539 1.898 1.00 41.44 H new ATOM 0 HG21 THR A 29 -0.584 -0.637 1.464 1.00 4.10 H new ATOM 0 HG22 THR A 29 -0.392 -2.108 2.447 1.00 4.10 H new ATOM 0 HG23 THR A 29 -0.483 -0.516 3.237 1.00 4.10 H new ATOM 491 N ASP A 30 3.257 -3.461 2.729 1.00 74.05 N ATOM 492 CA ASP A 30 3.504 -4.893 2.597 1.00 0.03 C ATOM 493 C ASP A 30 3.464 -5.543 3.968 1.00 73.43 C ATOM 494 O ASP A 30 2.793 -6.550 4.172 1.00 1.01 O ATOM 495 CB ASP A 30 4.850 -5.168 1.918 1.00 22.22 C ATOM 496 CG ASP A 30 4.759 -5.130 0.405 1.00 10.24 C ATOM 497 OD1 ASP A 30 4.609 -4.032 -0.163 1.00 40.41 O ATOM 498 OD2 ASP A 30 4.845 -6.205 -0.226 1.00 1.21 O ATOM 0 H ASP A 30 3.985 -2.865 2.335 1.00 74.05 H new ATOM 0 HA ASP A 30 2.723 -5.320 1.967 1.00 0.03 H new ATOM 0 HB2 ASP A 30 5.579 -4.430 2.253 1.00 22.22 H new ATOM 0 HB3 ASP A 30 5.218 -6.145 2.232 1.00 22.22 H new ATOM 503 N ASN A 31 4.150 -4.928 4.922 1.00 44.21 N ATOM 504 CA ASN A 31 4.122 -5.400 6.301 1.00 72.12 C ATOM 505 C ASN A 31 2.789 -5.076 6.965 1.00 73.45 C ATOM 506 O ASN A 31 2.378 -5.755 7.906 1.00 1.32 O ATOM 507 CB ASN A 31 5.274 -4.798 7.108 1.00 34.12 C ATOM 508 CG ASN A 31 6.579 -5.537 6.890 1.00 75.04 C ATOM 509 OD1 ASN A 31 6.590 -6.747 6.648 1.00 11.34 O ATOM 510 ND2 ASN A 31 7.688 -4.820 6.968 1.00 43.32 N ATOM 0 H ASN A 31 4.731 -4.104 4.768 1.00 44.21 H new ATOM 0 HA ASN A 31 4.241 -6.483 6.281 1.00 72.12 H new ATOM 0 HB2 ASN A 31 5.401 -3.752 6.830 1.00 34.12 H new ATOM 0 HB3 ASN A 31 5.021 -4.818 8.168 1.00 34.12 H new ATOM 0 HD21 ASN A 31 8.594 -5.266 6.826 1.00 43.32 H new ATOM 0 HD22 ASN A 31 7.637 -3.822 7.170 1.00 43.32 H new ATOM 517 N TYR A 32 2.102 -4.055 6.461 1.00 44.31 N ATOM 518 CA TYR A 32 0.809 -3.673 7.011 1.00 1.13 C ATOM 519 C TYR A 32 -0.251 -4.712 6.657 1.00 33.42 C ATOM 520 O TYR A 32 -1.059 -5.113 7.497 1.00 13.11 O ATOM 521 CB TYR A 32 0.385 -2.291 6.498 1.00 21.52 C ATOM 522 CG TYR A 32 -0.999 -1.893 6.954 1.00 2.30 C ATOM 523 CD1 TYR A 32 -1.255 -1.609 8.288 1.00 35.13 C ATOM 524 CD2 TYR A 32 -2.052 -1.816 6.051 1.00 41.23 C ATOM 525 CE1 TYR A 32 -2.521 -1.260 8.711 1.00 60.43 C ATOM 526 CE2 TYR A 32 -3.321 -1.465 6.467 1.00 60.33 C ATOM 527 CZ TYR A 32 -3.550 -1.190 7.799 1.00 33.42 C ATOM 528 OH TYR A 32 -4.812 -0.841 8.223 1.00 22.33 O ATOM 0 H TYR A 32 2.418 -3.482 5.678 1.00 44.31 H new ATOM 0 HA TYR A 32 0.904 -3.624 8.096 1.00 1.13 H new ATOM 0 HB2 TYR A 32 1.103 -1.546 6.841 1.00 21.52 H new ATOM 0 HB3 TYR A 32 0.418 -2.288 5.408 1.00 21.52 H new ATOM 0 HD1 TYR A 32 -0.450 -1.662 9.006 1.00 35.13 H new ATOM 0 HD2 TYR A 32 -1.875 -2.034 5.008 1.00 41.23 H new ATOM 0 HE1 TYR A 32 -2.704 -1.043 9.753 1.00 60.43 H new ATOM 0 HE2 TYR A 32 -4.130 -1.406 5.753 1.00 60.33 H new ATOM 0 HH TYR A 32 -4.744 -0.245 8.998 1.00 22.33 H new ATOM 538 N ALA A 33 -0.235 -5.151 5.407 1.00 73.14 N ATOM 539 CA ALA A 33 -1.174 -6.152 4.935 1.00 44.41 C ATOM 540 C ALA A 33 -0.971 -7.469 5.670 1.00 11.11 C ATOM 541 O ALA A 33 -1.922 -8.205 5.917 1.00 20.32 O ATOM 542 CB ALA A 33 -1.031 -6.340 3.434 1.00 34.32 C ATOM 0 H ALA A 33 0.423 -4.826 4.699 1.00 73.14 H new ATOM 0 HA ALA A 33 -2.186 -5.805 5.143 1.00 44.41 H new ATOM 0 HB1 ALA A 33 -1.741 -7.093 3.092 1.00 34.32 H new ATOM 0 HB2 ALA A 33 -1.233 -5.396 2.928 1.00 34.32 H new ATOM 0 HB3 ALA A 33 -0.017 -6.666 3.203 1.00 34.32 H new ATOM 548 N ARG A 34 0.273 -7.748 6.043 1.00 61.24 N ATOM 549 CA ARG A 34 0.593 -8.945 6.813 1.00 55.54 C ATOM 550 C ARG A 34 -0.114 -8.919 8.156 1.00 41.22 C ATOM 551 O ARG A 34 -0.559 -9.952 8.655 1.00 31.03 O ATOM 552 CB ARG A 34 2.097 -9.049 7.051 1.00 73.53 C ATOM 553 CG ARG A 34 2.909 -9.063 5.775 1.00 13.04 C ATOM 554 CD ARG A 34 4.401 -9.139 6.055 1.00 2.50 C ATOM 555 NE ARG A 34 4.762 -10.357 6.778 1.00 13.42 N ATOM 556 CZ ARG A 34 5.859 -10.486 7.521 1.00 61.43 C ATOM 557 NH1 ARG A 34 6.711 -9.474 7.647 1.00 2.20 N ATOM 558 NH2 ARG A 34 6.107 -11.636 8.133 1.00 33.34 N ATOM 0 H ARG A 34 1.078 -7.161 5.824 1.00 61.24 H new ATOM 0 HA ARG A 34 0.256 -9.808 6.238 1.00 55.54 H new ATOM 0 HB2 ARG A 34 2.418 -8.210 7.668 1.00 73.53 H new ATOM 0 HB3 ARG A 34 2.306 -9.958 7.615 1.00 73.53 H new ATOM 0 HG2 ARG A 34 2.610 -9.915 5.164 1.00 13.04 H new ATOM 0 HG3 ARG A 34 2.693 -8.164 5.197 1.00 13.04 H new ATOM 0 HD2 ARG A 34 4.949 -9.101 5.113 1.00 2.50 H new ATOM 0 HD3 ARG A 34 4.705 -8.269 6.636 1.00 2.50 H new ATOM 0 HE ARG A 34 4.134 -11.158 6.709 1.00 13.42 H new ATOM 0 HH11 ARG A 34 6.527 -8.590 7.173 1.00 2.20 H new ATOM 0 HH12 ARG A 34 7.549 -9.581 8.218 1.00 2.20 H new ATOM 0 HH21 ARG A 34 5.459 -12.417 8.033 1.00 33.34 H new ATOM 0 HH22 ARG A 34 6.946 -11.740 8.703 1.00 33.34 H new ATOM 572 N GLU A 35 -0.222 -7.727 8.728 1.00 65.11 N ATOM 573 CA GLU A 35 -0.796 -7.567 10.051 1.00 52.44 C ATOM 574 C GLU A 35 -2.296 -7.862 10.036 1.00 45.53 C ATOM 575 O GLU A 35 -2.812 -8.558 10.913 1.00 14.05 O ATOM 576 CB GLU A 35 -0.538 -6.150 10.571 1.00 3.41 C ATOM 577 CG GLU A 35 -1.008 -5.924 11.999 1.00 12.03 C ATOM 578 CD GLU A 35 -0.694 -4.529 12.505 1.00 5.33 C ATOM 579 OE1 GLU A 35 0.492 -4.240 12.770 1.00 24.11 O ATOM 580 OE2 GLU A 35 -1.634 -3.721 12.658 1.00 1.20 O ATOM 0 H GLU A 35 0.082 -6.856 8.292 1.00 65.11 H new ATOM 0 HA GLU A 35 -0.317 -8.282 10.720 1.00 52.44 H new ATOM 0 HB2 GLU A 35 0.530 -5.941 10.513 1.00 3.41 H new ATOM 0 HB3 GLU A 35 -1.039 -5.436 9.917 1.00 3.41 H new ATOM 0 HG2 GLU A 35 -2.083 -6.092 12.054 1.00 12.03 H new ATOM 0 HG3 GLU A 35 -0.537 -6.658 12.653 1.00 12.03 H new ATOM 587 N ILE A 36 -2.988 -7.346 9.030 1.00 3.00 N ATOM 588 CA ILE A 36 -4.430 -7.528 8.927 1.00 43.32 C ATOM 589 C ILE A 36 -4.785 -8.846 8.237 1.00 53.13 C ATOM 590 O ILE A 36 -5.919 -9.316 8.327 1.00 52.41 O ATOM 591 CB ILE A 36 -5.097 -6.351 8.182 1.00 63.14 C ATOM 592 CG1 ILE A 36 -4.425 -6.117 6.826 1.00 1.13 C ATOM 593 CG2 ILE A 36 -5.036 -5.090 9.034 1.00 43.15 C ATOM 594 CD1 ILE A 36 -5.012 -4.960 6.045 1.00 54.44 C ATOM 0 H ILE A 36 -2.576 -6.799 8.274 1.00 3.00 H new ATOM 0 HA ILE A 36 -4.815 -7.558 9.946 1.00 43.32 H new ATOM 0 HB ILE A 36 -6.142 -6.602 8.003 1.00 63.14 H new ATOM 0 HG12 ILE A 36 -3.362 -5.934 6.984 1.00 1.13 H new ATOM 0 HG13 ILE A 36 -4.507 -7.025 6.229 1.00 1.13 H new ATOM 0 HG21 ILE A 36 -5.509 -4.266 8.499 1.00 43.15 H new ATOM 0 HG22 ILE A 36 -5.560 -5.261 9.974 1.00 43.15 H new ATOM 0 HG23 ILE A 36 -3.995 -4.839 9.239 1.00 43.15 H new ATOM 0 HD11 ILE A 36 -4.485 -4.856 5.097 1.00 54.44 H new ATOM 0 HD12 ILE A 36 -6.068 -5.149 5.854 1.00 54.44 H new ATOM 0 HD13 ILE A 36 -4.906 -4.041 6.621 1.00 54.44 H new ATOM 606 N GLY A 37 -3.816 -9.439 7.552 1.00 53.42 N ATOM 607 CA GLY A 37 -4.035 -10.735 6.932 1.00 11.21 C ATOM 608 C GLY A 37 -4.449 -10.626 5.476 1.00 34.45 C ATOM 609 O GLY A 37 -5.369 -11.312 5.031 1.00 31.20 O ATOM 0 H GLY A 37 -2.884 -9.049 7.414 1.00 53.42 H new ATOM 0 HA2 GLY A 37 -3.122 -11.326 7.002 1.00 11.21 H new ATOM 0 HA3 GLY A 37 -4.805 -11.272 7.485 1.00 11.21 H new ATOM 613 N GLU A 38 -3.767 -9.766 4.739 1.00 44.11 N ATOM 614 CA GLU A 38 -4.047 -9.570 3.324 1.00 32.30 C ATOM 615 C GLU A 38 -2.841 -9.959 2.476 1.00 51.11 C ATOM 616 O GLU A 38 -1.815 -9.284 2.503 1.00 3.00 O ATOM 617 CB GLU A 38 -4.411 -8.110 3.048 1.00 44.44 C ATOM 618 CG GLU A 38 -5.652 -7.629 3.780 1.00 72.14 C ATOM 619 CD GLU A 38 -6.903 -8.370 3.362 1.00 0.15 C ATOM 620 OE1 GLU A 38 -7.233 -8.356 2.159 1.00 53.21 O ATOM 621 OE2 GLU A 38 -7.575 -8.949 4.238 1.00 62.42 O ATOM 0 H GLU A 38 -3.009 -9.187 5.100 1.00 44.11 H new ATOM 0 HA GLU A 38 -4.890 -10.208 3.058 1.00 32.30 H new ATOM 0 HB2 GLU A 38 -3.569 -7.478 3.329 1.00 44.44 H new ATOM 0 HB3 GLU A 38 -4.562 -7.981 1.976 1.00 44.44 H new ATOM 0 HG2 GLU A 38 -5.505 -7.750 4.853 1.00 72.14 H new ATOM 0 HG3 GLU A 38 -5.787 -6.563 3.595 1.00 72.14 H new ATOM 628 N PRO A 39 -2.936 -11.069 1.730 1.00 70.21 N ATOM 629 CA PRO A 39 -1.879 -11.495 0.808 1.00 71.14 C ATOM 630 C PRO A 39 -1.794 -10.575 -0.409 1.00 24.02 C ATOM 631 O PRO A 39 -0.743 -10.447 -1.043 1.00 23.20 O ATOM 632 CB PRO A 39 -2.301 -12.912 0.386 1.00 2.32 C ATOM 633 CG PRO A 39 -3.402 -13.297 1.321 1.00 45.30 C ATOM 634 CD PRO A 39 -4.059 -12.014 1.739 1.00 24.22 C ATOM 0 HA PRO A 39 -0.893 -11.465 1.272 1.00 71.14 H new ATOM 0 HB2 PRO A 39 -2.642 -12.928 -0.649 1.00 2.32 H new ATOM 0 HB3 PRO A 39 -1.465 -13.608 0.457 1.00 2.32 H new ATOM 0 HG2 PRO A 39 -4.116 -13.959 0.831 1.00 45.30 H new ATOM 0 HG3 PRO A 39 -3.010 -13.834 2.185 1.00 45.30 H new ATOM 0 HD2 PRO A 39 -4.846 -11.716 1.047 1.00 24.22 H new ATOM 0 HD3 PRO A 39 -4.515 -12.094 2.726 1.00 24.22 H new ATOM 642 N VAL A 40 -2.912 -9.935 -0.728 1.00 25.21 N ATOM 643 CA VAL A 40 -2.974 -9.003 -1.842 1.00 1.55 C ATOM 644 C VAL A 40 -3.286 -7.598 -1.334 1.00 0.20 C ATOM 645 O VAL A 40 -4.280 -7.386 -0.635 1.00 60.13 O ATOM 646 CB VAL A 40 -4.045 -9.423 -2.874 1.00 3.54 C ATOM 647 CG1 VAL A 40 -4.039 -8.483 -4.071 1.00 64.04 C ATOM 648 CG2 VAL A 40 -3.835 -10.864 -3.322 1.00 21.33 C ATOM 0 H VAL A 40 -3.793 -10.047 -0.226 1.00 25.21 H new ATOM 0 HA VAL A 40 -2.001 -9.012 -2.333 1.00 1.55 H new ATOM 0 HB VAL A 40 -5.020 -9.357 -2.392 1.00 3.54 H new ATOM 0 HG11 VAL A 40 -4.801 -8.798 -4.784 1.00 64.04 H new ATOM 0 HG12 VAL A 40 -4.252 -7.467 -3.737 1.00 64.04 H new ATOM 0 HG13 VAL A 40 -3.060 -8.510 -4.550 1.00 64.04 H new ATOM 0 HG21 VAL A 40 -4.602 -11.135 -4.048 1.00 21.33 H new ATOM 0 HG22 VAL A 40 -2.851 -10.963 -3.780 1.00 21.33 H new ATOM 0 HG23 VAL A 40 -3.902 -11.527 -2.459 1.00 21.33 H new ATOM 658 N VAL A 41 -2.433 -6.646 -1.675 1.00 3.02 N ATOM 659 CA VAL A 41 -2.632 -5.274 -1.260 1.00 11.12 C ATOM 660 C VAL A 41 -3.631 -4.595 -2.188 1.00 51.44 C ATOM 661 O VAL A 41 -3.289 -4.176 -3.300 1.00 65.00 O ATOM 662 CB VAL A 41 -1.312 -4.478 -1.249 1.00 3.33 C ATOM 663 CG1 VAL A 41 -1.537 -3.074 -0.707 1.00 4.34 C ATOM 664 CG2 VAL A 41 -0.254 -5.206 -0.434 1.00 51.34 C ATOM 0 H VAL A 41 -1.597 -6.802 -2.238 1.00 3.02 H new ATOM 0 HA VAL A 41 -3.019 -5.290 -0.241 1.00 11.12 H new ATOM 0 HB VAL A 41 -0.954 -4.394 -2.275 1.00 3.33 H new ATOM 0 HG11 VAL A 41 -0.593 -2.528 -0.707 1.00 4.34 H new ATOM 0 HG12 VAL A 41 -2.258 -2.552 -1.336 1.00 4.34 H new ATOM 0 HG13 VAL A 41 -1.921 -3.134 0.311 1.00 4.34 H new ATOM 0 HG21 VAL A 41 0.670 -4.628 -0.438 1.00 51.34 H new ATOM 0 HG22 VAL A 41 -0.603 -5.325 0.592 1.00 51.34 H new ATOM 0 HG23 VAL A 41 -0.070 -6.188 -0.871 1.00 51.34 H new ATOM 674 N THR A 42 -4.872 -4.529 -1.744 1.00 65.54 N ATOM 675 CA THR A 42 -5.926 -3.899 -2.513 1.00 11.33 C ATOM 676 C THR A 42 -5.960 -2.399 -2.242 1.00 4.45 C ATOM 677 O THR A 42 -5.239 -1.901 -1.371 1.00 32.25 O ATOM 678 CB THR A 42 -7.300 -4.509 -2.170 1.00 64.11 C ATOM 679 OG1 THR A 42 -7.545 -4.402 -0.760 1.00 61.25 O ATOM 680 CG2 THR A 42 -7.365 -5.968 -2.595 1.00 64.22 C ATOM 0 H THR A 42 -5.175 -4.908 -0.847 1.00 65.54 H new ATOM 0 HA THR A 42 -5.715 -4.073 -3.568 1.00 11.33 H new ATOM 0 HB THR A 42 -8.066 -3.956 -2.713 1.00 64.11 H new ATOM 0 HG1 THR A 42 -8.420 -4.790 -0.550 1.00 61.25 H new ATOM 0 HG21 THR A 42 -8.343 -6.377 -2.343 1.00 64.22 H new ATOM 0 HG22 THR A 42 -7.207 -6.041 -3.671 1.00 64.22 H new ATOM 0 HG23 THR A 42 -6.591 -6.533 -2.076 1.00 64.22 H new ATOM 688 N ALA A 43 -6.789 -1.682 -2.992 1.00 5.15 N ATOM 689 CA ALA A 43 -6.989 -0.260 -2.758 1.00 31.31 C ATOM 690 C ALA A 43 -7.474 -0.015 -1.333 1.00 60.23 C ATOM 691 O ALA A 43 -7.107 0.974 -0.705 1.00 43.14 O ATOM 692 CB ALA A 43 -7.987 0.305 -3.759 1.00 33.21 C ATOM 0 H ALA A 43 -7.332 -2.063 -3.766 1.00 5.15 H new ATOM 0 HA ALA A 43 -6.034 0.249 -2.890 1.00 31.31 H new ATOM 0 HB1 ALA A 43 -8.127 1.370 -3.572 1.00 33.21 H new ATOM 0 HB2 ALA A 43 -7.608 0.161 -4.771 1.00 33.21 H new ATOM 0 HB3 ALA A 43 -8.941 -0.211 -3.652 1.00 33.21 H new ATOM 698 N ASP A 44 -8.281 -0.941 -0.826 1.00 74.14 N ATOM 699 CA ASP A 44 -8.847 -0.828 0.513 1.00 33.23 C ATOM 700 C ASP A 44 -7.759 -0.962 1.575 1.00 40.13 C ATOM 701 O ASP A 44 -7.771 -0.258 2.585 1.00 41.42 O ATOM 702 CB ASP A 44 -9.921 -1.898 0.721 1.00 2.11 C ATOM 703 CG ASP A 44 -10.650 -1.754 2.043 1.00 43.33 C ATOM 704 OD1 ASP A 44 -11.586 -0.924 2.126 1.00 1.42 O ATOM 705 OD2 ASP A 44 -10.301 -2.469 3.006 1.00 52.41 O ATOM 0 H ASP A 44 -8.559 -1.785 -1.327 1.00 74.14 H new ATOM 0 HA ASP A 44 -9.302 0.158 0.612 1.00 33.23 H new ATOM 0 HB2 ASP A 44 -10.643 -1.844 -0.094 1.00 2.11 H new ATOM 0 HB3 ASP A 44 -9.459 -2.884 0.672 1.00 2.11 H new ATOM 710 N VAL A 45 -6.812 -1.863 1.329 1.00 52.11 N ATOM 711 CA VAL A 45 -5.699 -2.080 2.249 1.00 64.41 C ATOM 712 C VAL A 45 -4.800 -0.848 2.310 1.00 43.22 C ATOM 713 O VAL A 45 -4.461 -0.369 3.393 1.00 43.23 O ATOM 714 CB VAL A 45 -4.856 -3.310 1.845 1.00 70.35 C ATOM 715 CG1 VAL A 45 -3.665 -3.486 2.777 1.00 34.43 C ATOM 716 CG2 VAL A 45 -5.715 -4.563 1.836 1.00 13.23 C ATOM 0 H VAL A 45 -6.793 -2.456 0.499 1.00 52.11 H new ATOM 0 HA VAL A 45 -6.129 -2.264 3.233 1.00 64.41 H new ATOM 0 HB VAL A 45 -4.474 -3.143 0.838 1.00 70.35 H new ATOM 0 HG11 VAL A 45 -3.089 -4.359 2.470 1.00 34.43 H new ATOM 0 HG12 VAL A 45 -3.033 -2.599 2.731 1.00 34.43 H new ATOM 0 HG13 VAL A 45 -4.020 -3.626 3.798 1.00 34.43 H new ATOM 0 HG21 VAL A 45 -5.105 -5.420 1.549 1.00 13.23 H new ATOM 0 HG22 VAL A 45 -6.128 -4.728 2.831 1.00 13.23 H new ATOM 0 HG23 VAL A 45 -6.529 -4.441 1.121 1.00 13.23 H new ATOM 726 N PHE A 46 -4.437 -0.328 1.143 1.00 32.33 N ATOM 727 CA PHE A 46 -3.586 0.855 1.063 1.00 30.23 C ATOM 728 C PHE A 46 -4.312 2.080 1.618 1.00 72.40 C ATOM 729 O PHE A 46 -3.697 2.970 2.209 1.00 43.14 O ATOM 730 CB PHE A 46 -3.156 1.100 -0.386 1.00 25.23 C ATOM 731 CG PHE A 46 -2.264 2.300 -0.557 1.00 53.32 C ATOM 732 CD1 PHE A 46 -1.006 2.332 0.021 1.00 32.02 C ATOM 733 CD2 PHE A 46 -2.686 3.393 -1.297 1.00 61.10 C ATOM 734 CE1 PHE A 46 -0.186 3.431 -0.136 1.00 60.11 C ATOM 735 CE2 PHE A 46 -1.869 4.495 -1.456 1.00 51.05 C ATOM 736 CZ PHE A 46 -0.618 4.515 -0.874 1.00 13.44 C ATOM 0 H PHE A 46 -4.718 -0.707 0.239 1.00 32.33 H new ATOM 0 HA PHE A 46 -2.696 0.682 1.668 1.00 30.23 H new ATOM 0 HB2 PHE A 46 -2.636 0.216 -0.756 1.00 25.23 H new ATOM 0 HB3 PHE A 46 -4.045 1.228 -1.003 1.00 25.23 H new ATOM 0 HD1 PHE A 46 -0.663 1.488 0.601 1.00 32.02 H new ATOM 0 HD2 PHE A 46 -3.664 3.383 -1.754 1.00 61.10 H new ATOM 0 HE1 PHE A 46 0.794 3.443 0.318 1.00 60.11 H new ATOM 0 HE2 PHE A 46 -2.209 5.341 -2.035 1.00 51.05 H new ATOM 0 HZ PHE A 46 0.022 5.377 -0.995 1.00 13.44 H new ATOM 746 N ARG A 47 -5.623 2.114 1.429 1.00 3.12 N ATOM 747 CA ARG A 47 -6.449 3.195 1.946 1.00 24.10 C ATOM 748 C ARG A 47 -6.397 3.227 3.473 1.00 14.21 C ATOM 749 O ARG A 47 -6.203 4.282 4.075 1.00 71.33 O ATOM 750 CB ARG A 47 -7.886 3.020 1.453 1.00 31.50 C ATOM 751 CG ARG A 47 -8.853 4.080 1.941 1.00 54.31 C ATOM 752 CD ARG A 47 -10.147 4.031 1.149 1.00 63.02 C ATOM 753 NE ARG A 47 -10.727 2.686 1.117 1.00 51.14 N ATOM 754 CZ ARG A 47 -11.224 2.116 0.014 1.00 44.51 C ATOM 755 NH1 ARG A 47 -11.130 2.737 -1.159 1.00 64.52 N ATOM 756 NH2 ARG A 47 -11.786 0.915 0.078 1.00 40.44 N ATOM 0 H ARG A 47 -6.141 1.399 0.917 1.00 3.12 H new ATOM 0 HA ARG A 47 -6.064 4.147 1.580 1.00 24.10 H new ATOM 0 HB2 ARG A 47 -7.885 3.022 0.363 1.00 31.50 H new ATOM 0 HB3 ARG A 47 -8.249 2.042 1.770 1.00 31.50 H new ATOM 0 HG2 ARG A 47 -9.063 3.928 3.000 1.00 54.31 H new ATOM 0 HG3 ARG A 47 -8.399 5.066 1.844 1.00 54.31 H new ATOM 0 HD2 ARG A 47 -10.865 4.724 1.587 1.00 63.02 H new ATOM 0 HD3 ARG A 47 -9.960 4.368 0.130 1.00 63.02 H new ATOM 0 HE ARG A 47 -10.753 2.153 1.987 1.00 51.14 H new ATOM 0 HH11 ARG A 47 -10.678 3.650 -1.218 1.00 64.52 H new ATOM 0 HH12 ARG A 47 -11.510 2.300 -1.999 1.00 64.52 H new ATOM 0 HH21 ARG A 47 -11.840 0.424 0.970 1.00 40.44 H new ATOM 0 HH22 ARG A 47 -12.164 0.483 -0.765 1.00 40.44 H new ATOM 770 N LYS A 48 -6.549 2.060 4.090 1.00 43.11 N ATOM 771 CA LYS A 48 -6.447 1.940 5.540 1.00 42.42 C ATOM 772 C LYS A 48 -5.026 2.226 6.012 1.00 42.23 C ATOM 773 O LYS A 48 -4.818 2.759 7.105 1.00 60.30 O ATOM 774 CB LYS A 48 -6.867 0.543 5.999 1.00 21.30 C ATOM 775 CG LYS A 48 -8.364 0.290 5.928 1.00 62.20 C ATOM 776 CD LYS A 48 -8.707 -1.123 6.376 1.00 74.43 C ATOM 777 CE LYS A 48 -10.209 -1.328 6.476 1.00 71.12 C ATOM 778 NZ LYS A 48 -10.896 -1.069 5.187 1.00 52.14 N ATOM 0 H LYS A 48 -6.744 1.183 3.608 1.00 43.11 H new ATOM 0 HA LYS A 48 -7.119 2.677 5.980 1.00 42.42 H new ATOM 0 HB2 LYS A 48 -6.355 -0.198 5.386 1.00 21.30 H new ATOM 0 HB3 LYS A 48 -6.533 0.394 7.026 1.00 21.30 H new ATOM 0 HG2 LYS A 48 -8.887 1.010 6.557 1.00 62.20 H new ATOM 0 HG3 LYS A 48 -8.713 0.445 4.907 1.00 62.20 H new ATOM 0 HD2 LYS A 48 -8.287 -1.841 5.671 1.00 74.43 H new ATOM 0 HD3 LYS A 48 -8.247 -1.320 7.344 1.00 74.43 H new ATOM 0 HE2 LYS A 48 -10.414 -2.349 6.797 1.00 71.12 H new ATOM 0 HE3 LYS A 48 -10.614 -0.666 7.241 1.00 71.12 H new ATOM 0 HZ1 LYS A 48 -11.918 -1.221 5.302 1.00 52.14 H new ATOM 0 HZ2 LYS A 48 -10.723 -0.087 4.893 1.00 52.14 H new ATOM 0 HZ3 LYS A 48 -10.529 -1.718 4.462 1.00 52.14 H new ATOM 792 N ALA A 49 -4.051 1.863 5.187 1.00 63.35 N ATOM 793 CA ALA A 49 -2.648 2.087 5.506 1.00 71.12 C ATOM 794 C ALA A 49 -2.351 3.570 5.677 1.00 33.25 C ATOM 795 O ALA A 49 -1.541 3.949 6.517 1.00 2.12 O ATOM 796 CB ALA A 49 -1.759 1.496 4.427 1.00 24.23 C ATOM 0 H ALA A 49 -4.209 1.410 4.287 1.00 63.35 H new ATOM 0 HA ALA A 49 -2.437 1.588 6.452 1.00 71.12 H new ATOM 0 HB1 ALA A 49 -0.714 1.672 4.680 1.00 24.23 H new ATOM 0 HB2 ALA A 49 -1.939 0.423 4.354 1.00 24.23 H new ATOM 0 HB3 ALA A 49 -1.985 1.968 3.471 1.00 24.23 H new ATOM 802 N LYS A 50 -3.025 4.407 4.895 1.00 62.34 N ATOM 803 CA LYS A 50 -2.834 5.852 4.983 1.00 44.12 C ATOM 804 C LYS A 50 -3.147 6.367 6.384 1.00 42.53 C ATOM 805 O LYS A 50 -2.535 7.323 6.857 1.00 73.30 O ATOM 806 CB LYS A 50 -3.705 6.584 3.964 1.00 51.42 C ATOM 807 CG LYS A 50 -3.250 6.411 2.526 1.00 70.32 C ATOM 808 CD LYS A 50 -4.068 7.278 1.581 1.00 55.01 C ATOM 809 CE LYS A 50 -3.476 7.298 0.179 1.00 3.41 C ATOM 810 NZ LYS A 50 -4.230 8.201 -0.730 1.00 24.01 N ATOM 0 H LYS A 50 -3.706 4.112 4.195 1.00 62.34 H new ATOM 0 HA LYS A 50 -1.786 6.052 4.762 1.00 44.12 H new ATOM 0 HB2 LYS A 50 -4.731 6.227 4.055 1.00 51.42 H new ATOM 0 HB3 LYS A 50 -3.714 7.647 4.206 1.00 51.42 H new ATOM 0 HG2 LYS A 50 -2.195 6.672 2.442 1.00 70.32 H new ATOM 0 HG3 LYS A 50 -3.343 5.364 2.236 1.00 70.32 H new ATOM 0 HD2 LYS A 50 -5.091 6.904 1.538 1.00 55.01 H new ATOM 0 HD3 LYS A 50 -4.116 8.295 1.970 1.00 55.01 H new ATOM 0 HE2 LYS A 50 -2.436 7.620 0.229 1.00 3.41 H new ATOM 0 HE3 LYS A 50 -3.478 6.288 -0.230 1.00 3.41 H new ATOM 0 HZ1 LYS A 50 -3.794 8.186 -1.674 1.00 24.01 H new ATOM 0 HZ2 LYS A 50 -5.217 7.880 -0.799 1.00 24.01 H new ATOM 0 HZ3 LYS A 50 -4.207 9.170 -0.354 1.00 24.01 H new ATOM 824 N GLU A 51 -4.098 5.732 7.047 1.00 13.12 N ATOM 825 CA GLU A 51 -4.469 6.121 8.399 1.00 0.02 C ATOM 826 C GLU A 51 -3.439 5.603 9.400 1.00 33.31 C ATOM 827 O GLU A 51 -3.085 6.285 10.361 1.00 31.14 O ATOM 828 CB GLU A 51 -5.852 5.569 8.743 1.00 61.03 C ATOM 829 CG GLU A 51 -6.916 5.905 7.711 1.00 2.33 C ATOM 830 CD GLU A 51 -8.277 5.352 8.076 1.00 61.03 C ATOM 831 OE1 GLU A 51 -8.518 4.152 7.841 1.00 44.40 O ATOM 832 OE2 GLU A 51 -9.114 6.119 8.599 1.00 65.14 O ATOM 0 H GLU A 51 -4.628 4.945 6.672 1.00 13.12 H new ATOM 0 HA GLU A 51 -4.497 7.209 8.454 1.00 0.02 H new ATOM 0 HB2 GLU A 51 -5.786 4.486 8.845 1.00 61.03 H new ATOM 0 HB3 GLU A 51 -6.160 5.963 9.712 1.00 61.03 H new ATOM 0 HG2 GLU A 51 -6.985 6.988 7.605 1.00 2.33 H new ATOM 0 HG3 GLU A 51 -6.615 5.508 6.742 1.00 2.33 H new ATOM 839 N HIS A 52 -2.944 4.401 9.141 1.00 13.03 N ATOM 840 CA HIS A 52 -2.056 3.712 10.071 1.00 70.11 C ATOM 841 C HIS A 52 -0.612 4.203 9.951 1.00 55.12 C ATOM 842 O HIS A 52 0.128 4.206 10.931 1.00 3.33 O ATOM 843 CB HIS A 52 -2.118 2.206 9.809 1.00 14.42 C ATOM 844 CG HIS A 52 -1.545 1.363 10.909 1.00 52.51 C ATOM 845 ND1 HIS A 52 -2.325 0.759 11.867 1.00 5.20 N ATOM 846 CD2 HIS A 52 -0.268 1.001 11.183 1.00 70.12 C ATOM 847 CE1 HIS A 52 -1.556 0.063 12.684 1.00 13.11 C ATOM 848 NE2 HIS A 52 -0.305 0.191 12.291 1.00 41.24 N ATOM 0 H HIS A 52 -3.143 3.878 8.288 1.00 13.03 H new ATOM 0 HA HIS A 52 -2.393 3.930 11.084 1.00 70.11 H new ATOM 0 HB2 HIS A 52 -3.158 1.919 9.652 1.00 14.42 H new ATOM 0 HB3 HIS A 52 -1.584 1.988 8.884 1.00 14.42 H new ATOM 0 HD2 HIS A 52 0.614 1.295 10.633 1.00 70.12 H new ATOM 0 HE1 HIS A 52 -1.895 -0.514 13.532 1.00 13.11 H new ATOM 0 HE2 HIS A 52 0.504 -0.241 12.737 1.00 41.24 H new ATOM 857 N LEU A 53 -0.213 4.605 8.752 1.00 43.52 N ATOM 858 CA LEU A 53 1.172 4.994 8.496 1.00 13.01 C ATOM 859 C LEU A 53 1.378 6.496 8.681 1.00 51.24 C ATOM 860 O LEU A 53 2.468 7.015 8.430 1.00 42.11 O ATOM 861 CB LEU A 53 1.585 4.575 7.081 1.00 32.32 C ATOM 862 CG LEU A 53 1.495 3.073 6.799 1.00 11.54 C ATOM 863 CD1 LEU A 53 1.881 2.781 5.361 1.00 32.54 C ATOM 864 CD2 LEU A 53 2.382 2.294 7.759 1.00 63.21 C ATOM 0 H LEU A 53 -0.827 4.671 7.940 1.00 43.52 H new ATOM 0 HA LEU A 53 1.802 4.480 9.222 1.00 13.01 H new ATOM 0 HB2 LEU A 53 0.956 5.102 6.364 1.00 32.32 H new ATOM 0 HB3 LEU A 53 2.610 4.901 6.906 1.00 32.32 H new ATOM 0 HG LEU A 53 0.464 2.755 6.952 1.00 11.54 H new ATOM 0 HD11 LEU A 53 1.812 1.709 5.176 1.00 32.54 H new ATOM 0 HD12 LEU A 53 1.205 3.309 4.688 1.00 32.54 H new ATOM 0 HD13 LEU A 53 2.903 3.115 5.184 1.00 32.54 H new ATOM 0 HD21 LEU A 53 2.304 1.228 7.543 1.00 63.21 H new ATOM 0 HD22 LEU A 53 3.417 2.614 7.639 1.00 63.21 H new ATOM 0 HD23 LEU A 53 2.061 2.481 8.784 1.00 63.21 H new ATOM 876 N GLY A 54 0.335 7.189 9.118 1.00 2.21 N ATOM 877 CA GLY A 54 0.458 8.606 9.396 1.00 55.12 C ATOM 878 C GLY A 54 0.375 9.466 8.152 1.00 24.12 C ATOM 879 O GLY A 54 1.135 10.426 7.998 1.00 22.03 O ATOM 0 H GLY A 54 -0.592 6.796 9.285 1.00 2.21 H new ATOM 0 HA2 GLY A 54 -0.329 8.904 10.089 1.00 55.12 H new ATOM 0 HA3 GLY A 54 1.409 8.791 9.895 1.00 55.12 H new ATOM 883 N GLY A 55 -0.538 9.121 7.258 1.00 60.51 N ATOM 884 CA GLY A 55 -0.770 9.941 6.088 1.00 13.14 C ATOM 885 C GLY A 55 -1.693 11.097 6.405 1.00 72.30 C ATOM 886 O GLY A 55 -2.897 11.023 6.161 1.00 73.35 O ATOM 0 H GLY A 55 -1.123 8.288 7.322 1.00 60.51 H new ATOM 0 HA2 GLY A 55 0.180 10.323 5.714 1.00 13.14 H new ATOM 0 HA3 GLY A 55 -1.204 9.333 5.294 1.00 13.14 H new ATOM 890 N LEU A 56 -1.125 12.150 6.972 1.00 41.31 N ATOM 891 CA LEU A 56 -1.893 13.314 7.392 1.00 44.43 C ATOM 892 C LEU A 56 -2.544 13.999 6.193 1.00 13.35 C ATOM 893 O LEU A 56 -1.860 14.500 5.294 1.00 3.35 O ATOM 894 CB LEU A 56 -0.983 14.282 8.164 1.00 52.43 C ATOM 895 CG LEU A 56 -1.671 15.493 8.809 1.00 15.03 C ATOM 896 CD1 LEU A 56 -0.924 15.913 10.067 1.00 25.22 C ATOM 897 CD2 LEU A 56 -1.737 16.661 7.833 1.00 73.53 C ATOM 0 H LEU A 56 -0.124 12.223 7.154 1.00 41.31 H new ATOM 0 HA LEU A 56 -2.696 12.990 8.054 1.00 44.43 H new ATOM 0 HB2 LEU A 56 -0.473 13.721 8.947 1.00 52.43 H new ATOM 0 HB3 LEU A 56 -0.215 14.648 7.482 1.00 52.43 H new ATOM 0 HG LEU A 56 -2.688 15.205 9.075 1.00 15.03 H new ATOM 0 HD11 LEU A 56 -1.421 16.773 10.516 1.00 25.22 H new ATOM 0 HD12 LEU A 56 -0.916 15.087 10.778 1.00 25.22 H new ATOM 0 HD13 LEU A 56 0.101 16.180 9.809 1.00 25.22 H new ATOM 0 HD21 LEU A 56 -2.229 17.508 8.312 1.00 73.53 H new ATOM 0 HD22 LEU A 56 -0.727 16.947 7.538 1.00 73.53 H new ATOM 0 HD23 LEU A 56 -2.303 16.365 6.949 1.00 73.53 H new ATOM 909 N GLU A 57 -3.873 13.995 6.184 1.00 20.10 N ATOM 910 CA GLU A 57 -4.637 14.652 5.137 1.00 53.15 C ATOM 911 C GLU A 57 -4.573 16.165 5.323 1.00 11.11 C ATOM 912 O GLU A 57 -4.681 16.669 6.442 1.00 0.30 O ATOM 913 CB GLU A 57 -6.093 14.160 5.155 1.00 34.34 C ATOM 914 CG GLU A 57 -7.010 14.888 4.181 1.00 14.33 C ATOM 915 CD GLU A 57 -6.596 14.731 2.730 1.00 22.32 C ATOM 916 OE1 GLU A 57 -5.754 15.530 2.261 1.00 75.32 O ATOM 917 OE2 GLU A 57 -7.138 13.832 2.045 1.00 24.43 O ATOM 0 H GLU A 57 -4.444 13.540 6.897 1.00 20.10 H new ATOM 0 HA GLU A 57 -4.206 14.403 4.167 1.00 53.15 H new ATOM 0 HB2 GLU A 57 -6.108 13.095 4.923 1.00 34.34 H new ATOM 0 HB3 GLU A 57 -6.490 14.272 6.164 1.00 34.34 H new ATOM 0 HG2 GLU A 57 -8.027 14.515 4.303 1.00 14.33 H new ATOM 0 HG3 GLU A 57 -7.027 15.948 4.433 1.00 14.33 H new ATOM 924 N HIS A 58 -4.399 16.879 4.221 1.00 13.42 N ATOM 925 CA HIS A 58 -4.262 18.331 4.257 1.00 70.12 C ATOM 926 C HIS A 58 -5.632 18.981 4.352 1.00 42.12 C ATOM 927 O HIS A 58 -5.766 20.101 4.846 1.00 43.44 O ATOM 928 CB HIS A 58 -3.520 18.843 3.014 1.00 74.54 C ATOM 929 CG HIS A 58 -2.107 18.355 2.910 1.00 75.34 C ATOM 930 ND1 HIS A 58 -1.014 19.190 2.961 1.00 5.42 N ATOM 931 CD2 HIS A 58 -1.613 17.106 2.754 1.00 52.30 C ATOM 932 CE1 HIS A 58 0.088 18.474 2.841 1.00 21.03 C ATOM 933 NE2 HIS A 58 -0.246 17.202 2.717 1.00 35.34 N ATOM 0 H HIS A 58 -4.349 16.476 3.285 1.00 13.42 H new ATOM 0 HA HIS A 58 -3.677 18.598 5.137 1.00 70.12 H new ATOM 0 HB2 HIS A 58 -4.067 18.535 2.123 1.00 74.54 H new ATOM 0 HB3 HIS A 58 -3.518 19.933 3.027 1.00 74.54 H new ATOM 0 HD2 HIS A 58 -2.191 16.197 2.673 1.00 52.30 H new ATOM 0 HE1 HIS A 58 1.095 18.863 2.844 1.00 21.03 H new ATOM 0 HE2 HIS A 58 0.404 16.423 2.612 1.00 35.34 H new ATOM 942 N HIS A 59 -6.646 18.255 3.880 1.00 54.25 N ATOM 943 CA HIS A 59 -8.030 18.718 3.916 1.00 15.43 C ATOM 944 C HIS A 59 -8.153 20.051 3.178 1.00 42.11 C ATOM 945 O HIS A 59 -8.691 21.023 3.711 1.00 54.32 O ATOM 946 CB HIS A 59 -8.514 18.842 5.371 1.00 34.22 C ATOM 947 CG HIS A 59 -9.998 19.028 5.514 1.00 12.55 C ATOM 948 ND1 HIS A 59 -10.567 20.172 6.031 1.00 31.52 N ATOM 949 CD2 HIS A 59 -11.029 18.201 5.217 1.00 5.11 C ATOM 950 CE1 HIS A 59 -11.880 20.040 6.047 1.00 43.15 C ATOM 951 NE2 HIS A 59 -12.185 18.855 5.560 1.00 21.52 N ATOM 0 H HIS A 59 -6.529 17.331 3.463 1.00 54.25 H new ATOM 0 HA HIS A 59 -8.665 17.989 3.413 1.00 15.43 H new ATOM 0 HB2 HIS A 59 -8.217 17.947 5.918 1.00 34.22 H new ATOM 0 HB3 HIS A 59 -8.007 19.685 5.840 1.00 34.22 H new ATOM 0 HD2 HIS A 59 -10.955 17.212 4.790 1.00 5.11 H new ATOM 0 HE1 HIS A 59 -12.585 20.778 6.400 1.00 43.15 H new ATOM 0 HE2 HIS A 59 -13.129 18.483 5.455 1.00 21.52 H new ATOM 960 N HIS A 60 -7.638 20.070 1.943 1.00 11.30 N ATOM 961 CA HIS A 60 -7.639 21.265 1.096 1.00 54.13 C ATOM 962 C HIS A 60 -6.647 22.307 1.610 1.00 44.41 C ATOM 963 O HIS A 60 -6.935 23.057 2.544 1.00 35.54 O ATOM 964 CB HIS A 60 -9.050 21.861 0.976 1.00 30.21 C ATOM 965 CG HIS A 60 -9.115 23.170 0.237 1.00 73.24 C ATOM 966 ND1 HIS A 60 -9.942 24.203 0.617 1.00 74.11 N ATOM 967 CD2 HIS A 60 -8.460 23.606 -0.864 1.00 33.15 C ATOM 968 CE1 HIS A 60 -9.790 25.217 -0.213 1.00 24.25 C ATOM 969 NE2 HIS A 60 -8.895 24.880 -1.122 1.00 35.14 N ATOM 0 H HIS A 60 -7.209 19.256 1.504 1.00 11.30 H new ATOM 0 HA HIS A 60 -7.319 20.962 0.099 1.00 54.13 H new ATOM 0 HB2 HIS A 60 -9.693 21.141 0.470 1.00 30.21 H new ATOM 0 HB3 HIS A 60 -9.457 22.003 1.977 1.00 30.21 H new ATOM 0 HD2 HIS A 60 -7.729 23.052 -1.434 1.00 33.15 H new ATOM 0 HE1 HIS A 60 -10.310 26.162 -0.158 1.00 24.25 H new ATOM 0 HE2 HIS A 60 -8.579 25.471 -1.891 1.00 35.14 H new ATOM 978 N HIS A 61 -5.469 22.329 0.994 1.00 63.13 N ATOM 979 CA HIS A 61 -4.446 23.319 1.317 1.00 41.44 C ATOM 980 C HIS A 61 -4.955 24.731 1.036 1.00 35.15 C ATOM 981 O HIS A 61 -5.805 24.937 0.167 1.00 3.43 O ATOM 982 CB HIS A 61 -3.154 23.048 0.526 1.00 53.33 C ATOM 983 CG HIS A 61 -3.308 23.135 -0.967 1.00 64.12 C ATOM 984 ND1 HIS A 61 -3.583 22.045 -1.763 1.00 53.13 N ATOM 985 CD2 HIS A 61 -3.229 24.195 -1.807 1.00 72.55 C ATOM 986 CE1 HIS A 61 -3.665 22.432 -3.024 1.00 70.45 C ATOM 987 NE2 HIS A 61 -3.458 23.733 -3.079 1.00 75.32 N ATOM 0 H HIS A 61 -5.198 21.669 0.265 1.00 63.13 H new ATOM 0 HA HIS A 61 -4.221 23.238 2.380 1.00 41.44 H new ATOM 0 HB2 HIS A 61 -2.393 23.761 0.842 1.00 53.33 H new ATOM 0 HB3 HIS A 61 -2.787 22.055 0.784 1.00 53.33 H new ATOM 0 HD2 HIS A 61 -3.023 25.218 -1.527 1.00 72.55 H new ATOM 0 HE1 HIS A 61 -3.868 21.790 -3.868 1.00 70.45 H new ATOM 0 HE2 HIS A 61 -3.467 24.301 -3.926 1.00 75.32 H new ATOM 996 N HIS A 62 -4.429 25.696 1.765 1.00 50.11 N ATOM 997 CA HIS A 62 -4.881 27.073 1.644 1.00 55.44 C ATOM 998 C HIS A 62 -3.865 27.918 0.890 1.00 72.23 C ATOM 999 O HIS A 62 -2.734 27.488 0.664 1.00 65.44 O ATOM 1000 CB HIS A 62 -5.139 27.671 3.029 1.00 33.31 C ATOM 1001 CG HIS A 62 -6.283 27.032 3.747 1.00 72.11 C ATOM 1002 ND1 HIS A 62 -6.123 26.127 4.772 1.00 31.10 N ATOM 1003 CD2 HIS A 62 -7.616 27.173 3.578 1.00 61.54 C ATOM 1004 CE1 HIS A 62 -7.308 25.738 5.199 1.00 44.34 C ATOM 1005 NE2 HIS A 62 -8.231 26.359 4.490 1.00 70.20 N ATOM 0 H HIS A 62 -3.686 25.554 2.450 1.00 50.11 H new ATOM 0 HA HIS A 62 -5.812 27.074 1.078 1.00 55.44 H new ATOM 0 HB2 HIS A 62 -4.238 27.570 3.634 1.00 33.31 H new ATOM 0 HB3 HIS A 62 -5.335 28.738 2.925 1.00 33.31 H new ATOM 0 HD2 HIS A 62 -8.106 27.810 2.857 1.00 61.54 H new ATOM 0 HE1 HIS A 62 -7.492 25.031 5.994 1.00 44.34 H new ATOM 0 HE2 HIS A 62 -9.239 26.250 4.603 1.00 70.20 H new ATOM 1014 N HIS A 63 -4.280 29.112 0.491 1.00 64.23 N ATOM 1015 CA HIS A 63 -3.387 30.044 -0.179 1.00 53.55 C ATOM 1016 C HIS A 63 -3.083 31.221 0.734 1.00 11.45 C ATOM 1017 O HIS A 63 -3.572 32.331 0.458 1.00 37.89 O ATOM 1018 CB HIS A 63 -4.001 30.545 -1.490 1.00 3.55 C ATOM 1019 CG HIS A 63 -4.041 29.511 -2.570 1.00 12.40 C ATOM 1020 ND1 HIS A 63 -5.213 28.997 -3.082 1.00 53.44 N ATOM 1021 CD2 HIS A 63 -3.041 28.908 -3.254 1.00 22.23 C ATOM 1022 CE1 HIS A 63 -4.930 28.122 -4.028 1.00 72.34 C ATOM 1023 NE2 HIS A 63 -3.621 28.052 -4.150 1.00 72.41 N ATOM 1024 OXT HIS A 63 -2.379 31.021 1.742 1.00 37.89 O ATOM 0 H HIS A 63 -5.231 29.458 0.620 1.00 64.23 H new ATOM 0 HA HIS A 63 -2.460 29.520 -0.413 1.00 53.55 H new ATOM 0 HB2 HIS A 63 -5.015 30.894 -1.296 1.00 3.55 H new ATOM 0 HB3 HIS A 63 -3.431 31.404 -1.843 1.00 3.55 H new ATOM 0 HD2 HIS A 63 -1.982 29.072 -3.118 1.00 22.23 H new ATOM 0 HE1 HIS A 63 -5.649 27.559 -4.604 1.00 72.34 H new ATOM 0 HE2 HIS A 63 -3.119 27.455 -4.807 1.00 72.41 H new TER 1033 HIS A 63